A0A087YEF6_POEFO Loading...

Kinetochore localized astrin (SPAG5) binding protein

AlphaFold DB , UniProt , Accession A0A087YEF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 142 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
1N40.4Very low44Very low212 Ų212154.4 Ų154.4100%1.13481%0.811SS**  0135.50-86.9-26.7000109.3
2L44.6Very low44.5Very low157 Ų157156.7 Ų156.782%0.82281%0.809SS**  trans76.686.1-177.4-8668.8000115.8
3L40.8Very low44.6Very low165 Ų165151.8 Ų151.886%0.86479%0.791SS**  67.8108.777.1-82.7143.6000115.2
4C39.9Very low44.7Very low110 Ų110152.6 Ų152.674%0.74379%0.788SS**  trans-20.9139.5159.3-56.50000118.3
5F38.6Very low45.2Very low188 Ų188154.5 Ų154.583%0.82579%0.788SS**  trans-155.878.6132.2-112.8-78000110.1K7F5-K7 HydrophobicContact CD1-CG 4.21Å; F5-K7 PolarHBondContact O-N 3.47Å
6R46.5Very low45.6Very low233 Ų233148.8 Ų148.888%0.87978%0.779SS**  trans-78.498.5159.3-83.9-165.7179-165.21.7107.5N8R6-N8 PolarHBondContact O-N 3.2Å; R6-N8 VanDerWaalsContact O-N 3.1Å
7K48.4Very low46Very low168 Ų168148 Ų14873%0.7378%0.782SS**  trans-69.598.3165.9-78.4179.3174.9175.30108.1F5 V9F5-K7 HydrophobicContact CD1-CG 4.21Å; F5-K7 PolarHBondContact O-N 3.47Å; K7-V9 VanDerWaalsContact C-N 3.31Å; K7-V9 PolarHBondContact O-N 3.22Å
8N45.7Very low46.7Very low152 Ų152142.6 Ų142.681%0.81376%0.758SS**  trans-69.792.3162.3-76-32.1000107.8R6 A10R6-N8 PolarHBondContact O-N 3.2Å; R6-N8 VanDerWaalsContact O-N 3.1Å; N8-A10 PolarHBondContact O-N 2.93Å
9V47.5Very low48.1Very low128 Ų128139.6 Ų139.678%0.77675%0.746SS**  trans-7798.7164.41790000106K7K7-V9 VanDerWaalsContact C-N 3.31Å; K7-V9 PolarHBondContact O-N 3.22Å
10A46.5Very low49.2Very low76 Ų76144 Ų14463%0.62875%0.751SS**  trans-56.9124.8166.800000108N8 K12N8-A10 PolarHBondContact O-N 2.93Å; A10-K12 PolarHBondContact O-N 3.21Å
11P44.6Very low50.3Low109 Ų109145 Ų14571%0.70875%0.746SS**  trans-67.5107.2167.418.9-12.6000105.8V13P11-V13 HydrophobicContact CB-CG2 4.14Å; P11-V13 PolarHBondContact O-N 3.43Å
12K50.7Low52.2Low182 Ų182136 Ų13679%0.79170%0.703SS**  trans-63.377.9164.9-87-178.6172-177.80107.6A10 H14A10-K12 PolarHBondContact O-N 3.21Å; K12-H14 PolarHBondContact O-N 3.47Å
13V45.3Very low54.1Low94 Ų94133.4 Ų133.457%0.5769%0.687SS**  trans-74.484.7165.5-177.70000105.6P11 K15P11-V13 HydrophobicContact CB-CG2 4.14Å; P11-V13 PolarHBondContact O-N 3.43Å; V13-K15 HydrophobicContact CG1-CB 3.92Å; V13-K15 HydrophobicContact CG1-CD 3.6Å; V13-K15 HydrophobicContact CG1-CG 3.41Å; V13-K15 VanDerWaalsContact CG1-CG 3.41Å; V13-K15 PolarHBondContact O-N 3.42Å
14H46.6Very low56.2Low163 Ų163130.2 Ų130.276%0.75567%0.668SS**  trans-69.371.9156.4-73.877.2000106.8K12 G16K12-H14 PolarHBondContact O-N 3.47Å; H14-G16 VanDerWaalsContact C-N 3.25Å; H14-G16 PolarHBondContact O-N 2.96Å; H14-G16 VanDerWaalsContact O-N 3.09Å
15K52Low58.4Low181 Ų181128.2 Ų128.279%0.78765%0.652SS**  trans-71.597.9155.8-89.7170.9-174.4-169.30104V13 V17V13-K15 HydrophobicContact CG1-CB 3.92Å; V13-K15 HydrophobicContact CG1-CD 3.6Å; V13-K15 HydrophobicContact CG1-CG 3.41Å; V13-K15 VanDerWaalsContact CG1-CG 3.41Å; V13-K15 PolarHBondContact O-N 3.42Å; K15-V17 PolarHBondContact O-N 3.44Å
16G52.2Low60.8Low62 Ų62124.3 Ų124.364%0.63964%0.636SS**  trans-44138.4164.100000108H14 S18H14-G16 VanDerWaalsContact C-N 3.25Å; H14-G16 PolarHBondContact O-N 2.96Å; H14-G16 VanDerWaalsContact O-N 3.09Å; G16-S18 VanDerWaalsContact C-N 3.33Å; G16-S18 PolarHBondContact O-N 2.83Å
17V52.5Low62.9Low136 Ų136117.9 Ų117.982%0.82462%0.619SS**  trans-46.9100.4-178.81790000107.9K15 T19K15-V17 PolarHBondContact O-N 3.44Å; V17-T19 VanDerWaalsContact C-N 3.34Å; V17-T19 PolarHBondContact O-N 3.42Å
18S58.5Low65Low50 Ų50115.8 Ų115.835%0.3561%0.61SS.*  trans-64.7105.4176.5-178.30000104.4G16 Q23G16-S18 VanDerWaalsContact C-N 3.33Å; G16-S18 PolarHBondContact O-N 2.83Å; S18-Q23 WeakPolarHBondContact OG-CG 3.42Å
19T72.5Confident67.2Low86 Ų86113.8 Ų113.853%0.52860%0.596SS.*  trans-59145.3-176.757.90000107.2V17 Y21 G22 Q23V17-T19 VanDerWaalsContact C-N 3.34Å; V17-T19 PolarHBondContact O-N 3.42Å; T19-Y21 CarbonylContact O-C 3.6Å; T19-Y21 PolarHBondContact O-N 2.94Å; T19-G22 WeakPolarHBondContact O-CA 3.36Å; T19-G22 PolarHBondContact O-N 3.29Å; T19-G22 PolarHBondContact OG1-N 2.94Å; T19-Q23 PolarHBondContact O-N 2.84Å
20R70.8Confident69.5Low227 Ų227113.1 Ų113.186%0.85758%0.584SS**Hα-helixtrans-47.7-30.4179.3-175.2-179.5178.4-170.20.3112.8Q24R20-Q24 PolarHBondContact O-N 2.99Å
21Y72.7Confident71.8Confident167 Ų167114.1 Ų114.166%0.65558%0.579SS**Hα-helixtrans-72.2-41.2175-170.4-101.7000113.7T19 Q24 V25T19-Y21 CarbonylContact O-C 3.6Å; T19-Y21 PolarHBondContact O-N 2.94Å; Y21-Q24 WeakPolarHBondContact O-CB 3.32Å; Y21-Q24 PolarHBondContact O-N 3.22Å; Y21-V25 HydrophobicContact CD1-CG2 4.43Å; Y21-V25 HydrophobicContact CE1-CG2 4.1Å; Y21-V25 WeakPolarHBondContact O-CG2 3.22Å; Y21-V25 PolarHBondContact O-N 3.46Å; Y21-V25 VanDerWaalsContact O-N 3.11Å
22G80.1Confident74.3Confident22 Ų22115.4 Ų115.423%0.22758%0.575CS.*Hα-helixtrans-62.3-44.5175.600000112.7T19 Q24 V25 E26T19-G22 WeakPolarHBondContact O-CA 3.36Å; T19-G22 PolarHBondContact O-N 3.29Å; T19-G22 PolarHBondContact OG1-N 2.94Å; G22-Q24 PolarHBondContact O-N 3.41Å; G22-V25 PolarHBondContact O-N 3.41Å; G22-E26 PolarHBondContact O-N 2.92Å
23Q84.3Confident76.5Confident103 Ų103111.4 Ų111.448%0.48156%0.562SS.*Hα-helixtrans-60.3-36.2174.3-63.1-178.2-23.700112.2S18 T19 L27S18-Q23 WeakPolarHBondContact OG-CG 3.42Å; T19-Q23 PolarHBondContact O-N 2.84Å; Q23-L27 WeakPolarHBondContact O-CB 3.32Å; Q23-L27 VanDerWaalsContact O-CG 3.28Å; Q23-L27 WeakPolarHBondContact O-CG 3.49Å; Q23-L27 PolarHBondContact O-N 2.9Å
24Q84.8Confident78.9Confident97 Ų97112.3 Ų112.345%0.45356%0.564SS.*Hα-helixtrans-68.4-36.4178.3-172.1-179.616.300112.3R20 Y21 G22 K28R20-Q24 PolarHBondContact O-N 2.99Å; Y21-Q24 WeakPolarHBondContact O-CB 3.32Å; Y21-Q24 PolarHBondContact O-N 3.22Å; G22-Q24 PolarHBondContact O-N 3.41Å; Q24-K28 WeakPolarHBondContact O-CG 3.43Å; Q24-K28 PolarHBondContact O-N 2.85Å
25V85.9Confident81.4Confident69 Ų69108.2 Ų108.242%0.41855%0.55SS..Hα-helixtrans-70.8-46.4176.8175.20000110.6Y21 G22 L27 K28 E29Y21-V25 HydrophobicContact CD1-CG2 4.43Å; Y21-V25 HydrophobicContact CE1-CG2 4.1Å; Y21-V25 WeakPolarHBondContact O-CG2 3.22Å; Y21-V25 PolarHBondContact O-N 3.46Å; Y21-V25 VanDerWaalsContact O-N 3.11Å; G22-V25 PolarHBondContact O-N 3.41Å; V25-L27 VanDerWaalsContact C-N 3.33Å; V25-L27 PolarHBondContact O-N 3.28Å; V25-K28 WeakPolarHBondContact O-CB 3.49Å; V25-K28 PolarHBondContact O-N 3.18Å; V25-K28 VanDerWaalsContact O-N 3.09Å; V25-E29 PolarHBondContact O-N 3.19Å
26E88.6Confident83.5Confident106 Ų106102.1 Ų102.150%0.49553%0.534SS..Hα-helixtrans-58.5-42.9176.8-72.3173.5-165.300112G22 K28 E29 Q30G22-E26 PolarHBondContact O-N 2.92Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 2.95Å; E26-E29 PolarHBondContact O-N 3.38Å; E26-Q30 WeakPolarHBondContact O-CB 3.49Å; E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 2.95Å
27L91.1Very high85.6Confident98 Ų98101.3 Ų101.351%0.51352%0.52SS..Hα-helixtrans-65.4-34.2176.1-76.4170.1000113Q23 V25 N31Q23-L27 WeakPolarHBondContact O-CB 3.32Å; Q23-L27 VanDerWaalsContact O-CG 3.28Å; Q23-L27 WeakPolarHBondContact O-CG 3.49Å; Q23-L27 PolarHBondContact O-N 2.9Å; V25-L27 VanDerWaalsContact C-N 3.33Å; V25-L27 PolarHBondContact O-N 3.28Å; L27-N31 WeakPolarHBondContact O-CB 3.4Å; L27-N31 PolarHBondContact O-N 3.49Å; L27-N31 PolarHBondContact O-ND2 3.41Å
28K92Very high87.8Confident124 Ų124101.7 Ų101.754%0.53951%0.511SS..Hα-helixtrans-68.2-43.9175.4-79.3178178.5-176.30111.1Q24 V25 E26 N31 Q32Q24-K28 WeakPolarHBondContact O-CG 3.43Å; Q24-K28 PolarHBondContact O-N 2.85Å; V25-K28 WeakPolarHBondContact O-CB 3.49Å; V25-K28 PolarHBondContact O-N 3.18Å; V25-K28 VanDerWaalsContact O-N 3.09Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 2.95Å; K28-N31 PolarHBondContact O-N 2.86Å; K28-Q32 WeakPolarHBondContact O-CG 3.37Å; K28-Q32 PolarHBondContact O-N 2.9Å
29E93Very high89.6Confident110 Ų110105.2 Ų105.251%0.51452%0.522SS..Hα-helixtrans-63.4-44.6177.3-173.7177.8-174.900111.4V25 E26 N31 Q32 N33V25-E29 PolarHBondContact O-N 3.19Å; E26-E29 PolarHBondContact O-N 3.38Å; E29-N31 VanDerWaalsContact C-N 3.34Å; E29-N31 PolarHBondContact O-N 3.45Å; E29-Q32 PolarHBondContact O-N 3.35Å; E29-N33 PolarHBondContact O-N 3.37Å; E29-N33 PolarHBondContact O-ND2 2.79Å
30Q95.2Very high90.8Very high113 Ų113107.3 Ų107.353%0.52853%0.526SS..Hα-helixtrans-60-43174-73.9178.11.600112.2E26 Q32 N33 L34E26-Q30 WeakPolarHBondContact O-CB 3.49Å; E26-Q30 WeakPolarHBondContact O-CG 3.43Å; E26-Q30 PolarHBondContact O-N 2.95Å; Q30-Q32 VanDerWaalsContact C-N 3.34Å; Q30-Q32 PolarHBondContact O-N 3.1Å; Q30-N33 PolarHBondContact O-N 2.94Å; Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 VanDerWaalsContact O-CG 3.29Å; Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.46Å
31N95.4Very high92.1Very high98 Ų98102.1 Ų102.152%0.52451%0.514SS..Hα-helixtrans-62.7-40175.7-84.4-49.3000112.2L27 K28 E29 L34 V35L27-N31 WeakPolarHBondContact O-CB 3.4Å; L27-N31 PolarHBondContact O-N 3.49Å; L27-N31 PolarHBondContact O-ND2 3.41Å; K28-N31 PolarHBondContact O-N 2.86Å; E29-N31 VanDerWaalsContact C-N 3.34Å; E29-N31 PolarHBondContact O-N 3.45Å; N31-L34 PolarHBondContact O-N 3.34Å; N31-V35 VanDerWaalsContact O-CG2 3.29Å; N31-V35 WeakPolarHBondContact O-CG2 3.29Å; N31-V35 PolarHBondContact O-N 3.32Å
32Q96Very high93.4Very high135 Ų135100.3 Ų100.363%0.63151%0.512SS*.Hα-helixtrans-63-45.3175.5-74.4174.1-15.200111.5K28 E29 Q30 L34 V35 A36K28-Q32 WeakPolarHBondContact O-CG 3.37Å; K28-Q32 PolarHBondContact O-N 2.9Å; E29-Q32 PolarHBondContact O-N 3.35Å; Q30-Q32 VanDerWaalsContact C-N 3.34Å; Q30-Q32 PolarHBondContact O-N 3.1Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 2.91Å; Q32-V35 PolarHBondContact O-N 3.14Å; Q32-A36 PolarHBondContact O-N 3.33Å
33N96.4Very high94.2Very high98 Ų98105.4 Ų105.452%0.52453%0.528SS..Hα-helixtrans-62.1-39.5176.3-68.7-23.3000111.9E29 Q30 A36 A37E29-N33 PolarHBondContact O-N 3.37Å; E29-N33 PolarHBondContact O-ND2 2.79Å; Q30-N33 PolarHBondContact O-N 2.94Å; N33-A36 PolarHBondContact O-N 3.23Å; N33-A37 WeakPolarHBondContact O-CB 3.46Å; N33-A37 PolarHBondContact O-N 3.39Å
34L97.3Very high94.9Very high114 Ų114103.7 Ų103.760%0.59752%0.522SS*.Hα-helixtrans-65.9-38.7175.3-74.6172.3000112.3Q30 N31 Q32 K38Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 VanDerWaalsContact O-CG 3.29Å; Q30-L34 WeakPolarHBondContact O-CG 3.24Å; Q30-L34 PolarHBondContact O-N 3.46Å; N31-L34 PolarHBondContact O-N 3.34Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 2.91Å; L34-K38 VanDerWaalsContact O-CB 3.23Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 2.77Å
35V97.3Very high95.5Very high76 Ų76103.8 Ų103.846%0.46153%0.525SS..Hα-helixtrans-64.9-47.5175.4169.80000110.4N31 Q32 A37 K38 E39N31-V35 VanDerWaalsContact O-CG2 3.29Å; N31-V35 WeakPolarHBondContact O-CG2 3.29Å; N31-V35 PolarHBondContact O-N 3.32Å; Q32-V35 PolarHBondContact O-N 3.14Å; V35-A37 PolarHBondContact O-N 2.91Å; V35-K38 WeakPolarHBondContact O-CB 3.41Å; V35-K38 PolarHBondContact O-N 3.33Å; V35-E39 WeakPolarHBondContact O-CG 3.31Å; V35-E39 PolarHBondContact O-N 2.79Å
36A96.8Very high96.1Very high54 Ų54103.4 Ų103.445%0.44653%0.525SS..Hα-helixtrans-60.1-46.2177.500000111.9Q32 N33 K38 E39 E40Q32-A36 PolarHBondContact O-N 3.33Å; N33-A36 PolarHBondContact O-N 3.23Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.95Å; A36-E39 PolarHBondContact O-N 3.01Å; A36-E40 PolarHBondContact O-N 2.94Å
37A97.1Very high96.5Very high44 Ų44102.6 Ų102.636%0.36452%0.522SS..Hα-helixtrans-62.9-37.9176.400000112.1N33 V35 L41N33-A37 WeakPolarHBondContact O-CB 3.46Å; N33-A37 PolarHBondContact O-N 3.39Å; V35-A37 PolarHBondContact O-N 2.91Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.25Å; A37-L41 WeakPolarHBondContact O-CG 3.33Å; A37-L41 PolarHBondContact O-N 3.2Å
38K97.4Very high96.9Very high144 Ų144104.8 Ų104.863%0.62653%0.527SS*.Hα-helixtrans-63.9-44.9175.6179.2-174.7172.8-1730111.5L34 V35 A36 L41 Q42L34-K38 VanDerWaalsContact O-CB 3.23Å; L34-K38 WeakPolarHBondContact O-CB 3.36Å; L34-K38 PolarHBondContact O-N 2.77Å; V35-K38 WeakPolarHBondContact O-CB 3.41Å; V35-K38 PolarHBondContact O-N 3.33Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.95Å; K38-L41 PolarHBondContact O-N 2.94Å; K38-Q42 WeakPolarHBondContact O-CB 3.32Å; K38-Q42 PolarHBondContact O-N 3.32Å
39E97.8Very high97.2Very high125 Ų125104.1 Ų104.158%0.58453%0.526SS*.Hα-helixtrans-63.2-43.3178-72.8174.3178.200111.4V35 A36 Q42 K43V35-E39 WeakPolarHBondContact O-CG 3.31Å; V35-E39 PolarHBondContact O-N 2.79Å; A36-E39 PolarHBondContact O-N 3.01Å; E39-Q42 PolarHBondContact O-N 2.92Å; E39-K43 WeakPolarHBondContact O-CB 3.3Å; E39-K43 PolarHBondContact O-N 2.68Å
40E97.9Very high97.4Very high129 Ų129104.1 Ų104.160%0.60353%0.526SS*.Hα-helixtrans-63.7-43.6175.9-177.3171.7-164.100112.2A36 Q42 K43 N44A36-E40 PolarHBondContact O-N 2.94Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.43Å; E40-K43 PolarHBondContact O-N 2.93Å; E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 PolarHBondContact O-N 3.08Å; E40-N44 PolarHBondContact O-ND2 3.34Å; E40-N44 VanDerWaalsContact O-ND2 3.12Å
41L98.1Very high97.6Very high118 Ų118104.2 Ų104.262%0.61852%0.521SS*.Hα-helixtrans-62-41.1174.6-75.8172.6000111.8A37 K38 N44 L45A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 VanDerWaalsContact O-CG 3.25Å; A37-L41 WeakPolarHBondContact O-CG 3.33Å; A37-L41 PolarHBondContact O-N 3.2Å; K38-L41 PolarHBondContact O-N 2.94Å; L41-N44 PolarHBondContact O-N 3.33Å; L41-L45 VanDerWaalsContact O-CB 3.26Å; L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 2.91Å
42Q98.1Very high97.7Very high130 Ų130103.1 Ų103.161%0.60752%0.518SS*.Hα-helixtrans-64.9-42.6178.1-175.2173.6-12.200111.4K38 E39 E40 L45 S46K38-Q42 WeakPolarHBondContact O-CB 3.32Å; K38-Q42 PolarHBondContact O-N 3.32Å; E39-Q42 PolarHBondContact O-N 2.92Å; E40-Q42 VanDerWaalsContact C-N 3.33Å; E40-Q42 PolarHBondContact O-N 3.43Å; Q42-L45 PolarHBondContact O-N 3.06Å; Q42-S46 PolarHBondContact O-N 3.36Å; Q42-S46 PolarHBondContact O-OG 2.93Å
43K98.1Very high97.8Very high129 Ų129102.8 Ų102.856%0.56152%0.517SS*.Hα-helixtrans-60.5-52.1174.2179.3180169.6-175.50111.2E39 E40 L45 S46 E47E39-K43 WeakPolarHBondContact O-CB 3.3Å; E39-K43 PolarHBondContact O-N 2.68Å; E40-K43 PolarHBondContact O-N 2.93Å; K43-L45 VanDerWaalsContact C-N 3.26Å; K43-L45 PolarHBondContact O-N 3.08Å; K43-S46 PolarHBondContact O-N 3.49Å; K43-S46 VanDerWaalsContact O-N 3.12Å; K43-S46 PolarHBondContact O-OG 3.14Å; K43-E47 WeakPolarHBondContact CE-OE1 3.3Å; K43-E47 IonicContact NZ-OE1 3.87Å; K43-E47 WeakPolarHBondContact O-CG 3.43Å; K43-E47 PolarHBondContact O-N 2.86Å
44N98.2Very high97.9Very high66 Ų66101.7 Ų101.735%0.35351%0.508SS..Hα-helixtrans-56.6-41.9177.7-79.2-43.6000111.7E40 L41 E47 K48E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 PolarHBondContact O-N 3.08Å; E40-N44 PolarHBondContact O-ND2 3.34Å; E40-N44 VanDerWaalsContact O-ND2 3.12Å; L41-N44 PolarHBondContact O-N 3.33Å; N44-E47 PolarHBondContact O-N 3.1Å; N44-K48 VanDerWaalsContact O-CG 3.26Å; N44-K48 WeakPolarHBondContact O-CG 3.22Å; N44-K48 PolarHBondContact O-N 3.42Å
45L98.2Very high98Very high100 Ų10099.7 Ų99.752%0.52450%0.498SS..Hα-helixtrans-61.9-45.3177.8-172.7150.4000111.4L41 Q42 K43 K48 Q49L41-L45 VanDerWaalsContact O-CB 3.26Å; L41-L45 WeakPolarHBondContact O-CB 3.36Å; L41-L45 PolarHBondContact O-N 2.91Å; Q42-L45 PolarHBondContact O-N 3.06Å; K43-L45 VanDerWaalsContact C-N 3.26Å; K43-L45 PolarHBondContact O-N 3.08Å; L45-K48 PolarHBondContact O-N 2.98Å; L45-Q49 HydrophobicContact CD2-CG 4.17Å; L45-Q49 WeakPolarHBondContact O-CG 3.37Å; L45-Q49 PolarHBondContact O-N 3.28Å
46S98Very high98Very high60 Ų60101.6 Ų101.642%0.4250%0.501SS..Hα-helixtrans-63.6-41.5176.760.60000113Q42 K43 K48 Q49 Q50Q42-S46 PolarHBondContact O-N 3.36Å; Q42-S46 PolarHBondContact O-OG 2.93Å; K43-S46 PolarHBondContact O-N 3.49Å; K43-S46 VanDerWaalsContact O-N 3.12Å; K43-S46 PolarHBondContact O-OG 3.14Å; S46-K48 VanDerWaalsContact C-N 3.35Å; S46-K48 PolarHBondContact O-N 3.37Å; S46-Q49 PolarHBondContact O-N 2.87Å; S46-Q50 PolarHBondContact O-N 3.12Å
47E98.2Very high98.1Very high89 Ų89104 Ų10442%0.41651%0.506SS..Hα-helixtrans-64.2-40.2177.1-71.1177.1-177.700111.7K43 N44 R51K43-E47 WeakPolarHBondContact CE-OE1 3.3Å; K43-E47 IonicContact NZ-OE1 3.87Å; K43-E47 WeakPolarHBondContact O-CG 3.43Å; K43-E47 PolarHBondContact O-N 2.86Å; N44-E47 PolarHBondContact O-N 3.1Å; E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.42Å
48K97.9Very high98.1Very high145 Ų145106.2 Ų106.263%0.6351%0.509SS*.Hα-helixtrans-68.4-39.1176.1-65.5-57.3177.5-168.30112.1N44 L45 S46 R51 V52N44-K48 VanDerWaalsContact O-CG 3.26Å; N44-K48 WeakPolarHBondContact O-CG 3.22Å; N44-K48 PolarHBondContact O-N 3.42Å; L45-K48 PolarHBondContact O-N 2.98Å; S46-K48 VanDerWaalsContact C-N 3.35Å; S46-K48 PolarHBondContact O-N 3.37Å; K48-R51 PolarHBondContact O-N 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.38Å; K48-V52 PolarHBondContact O-N 2.88Å
49Q98.3Very high98.2Very high110 Ų110104.1 Ų104.151%0.51450%0.504SS..Hα-helixtrans-60.8-49.9175.2-77.5176.2-29.600111.3L45 S46 R51 V52 E53L45-Q49 HydrophobicContact CD2-CG 4.17Å; L45-Q49 WeakPolarHBondContact O-CG 3.37Å; L45-Q49 PolarHBondContact O-N 3.28Å; S46-Q49 PolarHBondContact O-N 2.87Å; Q49-R51 VanDerWaalsContact C-N 3.26Å; Q49-R51 PolarHBondContact O-N 3.38Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 2.92Å; Q49-E53 PolarHBondContact O-N 3.32Å
50Q98.3Very high98.2Very high109 Ų109102.2 Ų102.251%0.50950%0.498SS..Hα-helixtrans-57.4-42.2175.6-175.8-175.2-21.300111.4S46 V52 E53 E54S46-Q50 PolarHBondContact O-N 3.12Å; Q50-V52 VanDerWaalsContact C-N 3.29Å; Q50-V52 PolarHBondContact O-N 3.46Å; Q50-E53 PolarHBondContact O-N 3.3Å; Q50-E54 PolarHBondContact NE2-OE1 3.48Å; Q50-E54 WeakPolarHBondContact O-CG 3.34Å; Q50-E54 PolarHBondContact O-N 3.38Å
51R98.2Very high98.2Very high116 Ų116100.8 Ų100.844%0.43849%0.492SS..Hα-helixtrans-64.4-34.7178.3-175.556.3-179.7167.45.8112.9E47 K48 Q49 E54 L55E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.42Å; K48-R51 PolarHBondContact O-N 3.31Å; Q49-R51 VanDerWaalsContact C-N 3.26Å; Q49-R51 PolarHBondContact O-N 3.38Å; R51-E54 IonicContact CZ-OE2 3.36Å; R51-E54 IonicContact NH1-OE2 2.89Å; R51-E54 PolarHBondContact NH1-OE2 2.9Å; R51-L55 HydrophobicContact CG-CD1 4.27Å; R51-L55 VanDerWaalsContact O-CG 3.27Å; R51-L55 WeakPolarHBondContact O-CG 3.46Å; R51-L55 PolarHBondContact O-N 3.28Å; R51-L55 VanDerWaalsContact O-N 3.15Å
52V98.4Very high98.2Very high75 Ų75100 Ų10046%0.45549%0.487SS..Hα-helixtrans-66-46.9174.7168.90000110K48 Q49 Q50 E54 L55 E56K48-V52 WeakPolarHBondContact O-CG2 3.38Å; K48-V52 PolarHBondContact O-N 2.88Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 2.92Å; Q50-V52 VanDerWaalsContact C-N 3.29Å; Q50-V52 PolarHBondContact O-N 3.46Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.07Å; V52-L55 PolarHBondContact O-N 2.95Å; V52-L55 VanDerWaalsContact O-N 3.09Å; V52-E56 HydrophobicContact CG1-CG 4.3Å; V52-E56 WeakPolarHBondContact O-CG 3.38Å; V52-E56 PolarHBondContact O-N 3.04Å
53E98.2Very high98.2Very high128 Ų12899.6 Ų99.660%0.59849%0.485SS*.Hα-helixtrans-58.4-42.5177.5-67.9172.5-171.900112Q49 Q50 L55 E56 L57Q49-E53 PolarHBondContact O-N 3.32Å; Q50-E53 PolarHBondContact O-N 3.3Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.06Å; E53-E56 PolarHBondContact O-N 2.94Å; E53-L57 PolarHBondContact O-N 2.92Å
54E98.3Very high98.2Very high74 Ų74100.3 Ų100.335%0.34649%0.489SS..Hα-helixtrans-61-41.7174.8-73.2172-171.300112.6Q50 R51 V52 L57 Q58Q50-E54 PolarHBondContact NE2-OE1 3.48Å; Q50-E54 WeakPolarHBondContact O-CG 3.34Å; Q50-E54 PolarHBondContact O-N 3.38Å; R51-E54 IonicContact CZ-OE2 3.36Å; R51-E54 IonicContact NH1-OE2 2.89Å; R51-E54 PolarHBondContact NH1-OE2 2.9Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 3.07Å; E54-L57 PolarHBondContact O-N 3.33Å; E54-Q58 WeakPolarHBondContact O-CG 3.45Å; E54-Q58 PolarHBondContact O-N 3.39Å; E54-Q58 VanDerWaalsContact O-N 3.12Å
55L98.4Very high98.2Very high73 Ų73101.9 Ų101.938%0.38249%0.494SS..Hα-helixtrans-71.6-35.9-179.9-74170.7000112.1R51 V52 E53 Q58 L59R51-L55 HydrophobicContact CG-CD1 4.27Å; R51-L55 VanDerWaalsContact O-CG 3.27Å; R51-L55 WeakPolarHBondContact O-CG 3.46Å; R51-L55 PolarHBondContact O-N 3.28Å; R51-L55 VanDerWaalsContact O-N 3.15Å; V52-L55 PolarHBondContact O-N 2.95Å; V52-L55 VanDerWaalsContact O-N 3.09Å; E53-L55 VanDerWaalsContact C-N 3.35Å; E53-L55 PolarHBondContact O-N 3.06Å; L55-Q58 PolarHBondContact O-N 2.86Å; L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 PolarHBondContact O-N 3.37Å
56E98.2Very high98.2Very high115 Ų115101.2 Ų101.254%0.53749%0.491SS..Hα-helixtrans-62.3-44.2173.8-73.3176.2166.100110.7V52 E53 Q58 L59 D60V52-E56 HydrophobicContact CG1-CG 4.3Å; V52-E56 WeakPolarHBondContact O-CG 3.38Å; V52-E56 PolarHBondContact O-N 3.04Å; E53-E56 PolarHBondContact O-N 2.94Å; E56-Q58 PolarHBondContact O-N 2.94Å; E56-L59 WeakPolarHBondContact O-CB 3.33Å; E56-L59 PolarHBondContact O-N 3.31Å; E56-D60 PolarHBondContact O-N 3.4Å
57L98.2Very high98.2Very high104 Ų104103 Ų10355%0.54550%0.499SS..Hα-helixtrans-59.2-46.5174.5-168.991.3000112E53 E54 L59 D60 E61E53-L57 PolarHBondContact O-N 2.92Å; E54-L57 PolarHBondContact O-N 3.33Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.16Å; L57-D60 PolarHBondContact O-N 3.13Å; L57-E61 WeakPolarHBondContact O-CG 3.44Å; L57-E61 PolarHBondContact O-N 2.92Å
58Q98.3Very high98.2Very high92 Ų92104.5 Ų104.543%0.4351%0.506SS..Hα-helixtrans-62.8-38.1177.9-73.1179.6-300112.2E54 L55 E56 E61 L62E54-Q58 WeakPolarHBondContact O-CG 3.45Å; E54-Q58 PolarHBondContact O-N 3.39Å; E54-Q58 VanDerWaalsContact O-N 3.12Å; L55-Q58 PolarHBondContact O-N 2.86Å; E56-Q58 PolarHBondContact O-N 2.94Å; Q58-E61 PolarHBondContact O-N 3.16Å; Q58-L62 WeakPolarHBondContact O-CB 3.46Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.32Å; Q58-L62 PolarHBondContact O-N 3.24Å
59L98.2Very high98.2Very high100 Ų100103.8 Ų103.852%0.52450%0.503SS..Hα-helixtrans-62.9-43.1174.8-88170.7000111.5L55 E56 L57 E61 L62 Q63L55-L59 WeakPolarHBondContact O-CB 3.49Å; L55-L59 PolarHBondContact O-N 3.37Å; E56-L59 WeakPolarHBondContact O-CB 3.33Å; E56-L59 PolarHBondContact O-N 3.31Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.16Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 3.28Å; L59-L62 PolarHBondContact O-N 2.99Å; L59-Q63 WeakPolarHBondContact O-CB 3.46Å; L59-Q63 VanDerWaalsContact O-CG 3.28Å; L59-Q63 WeakPolarHBondContact O-CG 3.25Å; L59-Q63 PolarHBondContact O-N 2.95Å
60D98.2Very high98.2Very high84 Ų84103.4 Ų103.445%0.44950%0.501SS..Hα-helixtrans-63.4-40.5177.8-75.4-10.5000112.1E56 L57 Q63 K64E56-D60 PolarHBondContact O-N 3.4Å; L57-D60 PolarHBondContact O-N 3.13Å; D60-Q63 PolarHBondContact O-N 3.36Å; D60-K64 WeakPolarHBondContact O-CG 3.46Å; D60-K64 PolarHBondContact O-N 3.48Å; D60-K64 VanDerWaalsContact O-N 3.12Å
61E98.1Very high98.1Very high100 Ų100104.1 Ų104.147%0.46750%0.503SS..Hα-helixtrans-62.7-49.7174.2-71.8177.3172.800111.5L57 Q58 L59 Q63 K64 E65L57-E61 WeakPolarHBondContact O-CG 3.44Å; L57-E61 PolarHBondContact O-N 2.92Å; Q58-E61 PolarHBondContact O-N 3.16Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 3.28Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.05Å; E61-K64 WeakPolarHBondContact O-CB 3.33Å; E61-K64 PolarHBondContact O-N 3.05Å; E61-K64 VanDerWaalsContact O-N 3.1Å; E61-E65 PolarHBondContact O-N 3.25Å
62L98.3Very high98Very high101 Ų101102 Ų10253%0.52950%0.5SS..Hα-helixtrans-61.4-36.2177.9-74171.5000112.5Q58 L59 E65 N66Q58-L62 WeakPolarHBondContact O-CB 3.46Å; Q58-L62 VanDerWaalsContact O-CG 3.28Å; Q58-L62 WeakPolarHBondContact O-CG 3.32Å; Q58-L62 PolarHBondContact O-N 3.24Å; L59-L62 PolarHBondContact O-N 2.99Å; L62-E65 PolarHBondContact O-N 2.94Å; L62-N66 VanDerWaalsContact O-CB 3.29Å; L62-N66 WeakPolarHBondContact O-CB 3.49Å; L62-N66 PolarHBondContact O-N 3Å
63Q98.3Very high97.9Very high121 Ų121104.4 Ų104.457%0.56551%0.51SS*.Hα-helixtrans-64.5-42174.7-77.717911.700111.7L59 D60 E61 N66 V67L59-Q63 WeakPolarHBondContact O-CB 3.46Å; L59-Q63 VanDerWaalsContact O-CG 3.28Å; L59-Q63 WeakPolarHBondContact O-CG 3.25Å; L59-Q63 PolarHBondContact O-N 2.95Å; D60-Q63 PolarHBondContact O-N 3.36Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.05Å; Q63-N66 PolarHBondContact O-N 3.42Å; Q63-V67 WeakPolarHBondContact O-CG2 3.34Å; Q63-V67 PolarHBondContact O-N 3.44Å; Q63-V67 VanDerWaalsContact O-N 3.07Å
64K98.1Very high97.7Very high145 Ų145104.1 Ų104.163%0.6351%0.508SS*.Hα-helixtrans-62.7-47.3175.5-70.1167.3-171.71670111.4D60 E61 N66 V67 E68D60-K64 WeakPolarHBondContact O-CG 3.46Å; D60-K64 PolarHBondContact O-N 3.48Å; D60-K64 VanDerWaalsContact O-N 3.12Å; E61-K64 WeakPolarHBondContact O-CB 3.33Å; E61-K64 PolarHBondContact O-N 3.05Å; E61-K64 VanDerWaalsContact O-N 3.1Å; K64-N66 VanDerWaalsContact C-N 3.32Å; K64-N66 PolarHBondContact O-N 2.97Å; K64-V67 PolarHBondContact O-N 3.25Å; K64-E68 PolarHBondContact O-N 3.39Å
65E98.1Very high97.5Very high98 Ų98103.6 Ų103.646%0.45851%0.508SS..Hα-helixtrans-60-41.6176.7-71.6-175.417800111.8E61 L62 V67 E68 F69E61-E65 PolarHBondContact O-N 3.25Å; L62-E65 PolarHBondContact O-N 2.94Å; E65-V67 PolarHBondContact O-N 2.89Å; E65-E68 PolarHBondContact O-N 2.88Å; E65-F69 HydrophobicContact CB-CD2 4.41Å; E65-F69 HydrophobicContact CB-CE2 4.23Å; E65-F69 WeakPolarHBondContact O-CD2 3.29Å; E65-F69 WeakPolarHBondContact O-CG 3.26Å; E65-F69 PolarHBondContact O-N 2.95Å
66N98.1Very high97.1Very high87 Ų87103.4 Ų103.447%0.46551%0.512SS..Hα-helixtrans-61.5-44.7177.6-168.3-28.8000111.6L62 Q63 K64 E68 F69 Q70L62-N66 VanDerWaalsContact O-CB 3.29Å; L62-N66 WeakPolarHBondContact O-CB 3.49Å; L62-N66 PolarHBondContact O-N 3Å; Q63-N66 PolarHBondContact O-N 3.42Å; K64-N66 VanDerWaalsContact C-N 3.32Å; K64-N66 PolarHBondContact O-N 2.97Å; N66-E68 VanDerWaalsContact C-N 3.31Å; N66-E68 PolarHBondContact O-N 3.46Å; N66-F69 PolarHBondContact O-N 2.93Å; N66-Q70 VanDerWaalsContact O-CG 3.3Å; N66-Q70 WeakPolarHBondContact O-CG 3.42Å; N66-Q70 PolarHBondContact O-N 3.31Å; N66-Q70 PolarHBondContact OD1-NE2 3.39Å
67V98.2Very high96.6Very high98 Ų98103.2 Ų103.259%0.59451%0.511SS*.Hα-helixtrans-60.4-42.3174.6171.90000111.1Q63 K64 E65 Q70 K71Q63-V67 WeakPolarHBondContact O-CG2 3.34Å; Q63-V67 PolarHBondContact O-N 3.44Å; Q63-V67 VanDerWaalsContact O-N 3.07Å; K64-V67 PolarHBondContact O-N 3.25Å; E65-V67 PolarHBondContact O-N 2.89Å; V67-Q70 PolarHBondContact O-N 2.94Å; V67-K71 PolarHBondContact O-N 2.99Å
68E98.1Very high96.2Very high120 Ų120106.6 Ų106.656%0.56152%0.516SS*.Hα-helixtrans-63.9-45.2176.7-173.2172.9-177.700112.1K64 E65 N66 Q70 K71 N72K64-E68 PolarHBondContact O-N 3.39Å; E65-E68 PolarHBondContact O-N 2.88Å; N66-E68 VanDerWaalsContact C-N 3.31Å; N66-E68 PolarHBondContact O-N 3.46Å; E68-Q70 VanDerWaalsContact C-N 3.35Å; E68-Q70 PolarHBondContact O-N 2.69Å; E68-K71 WeakPolarHBondContact O-CB 3.49Å; E68-K71 PolarHBondContact O-N 3.12Å; E68-N72 WeakPolarHBondContact O-CB 3.35Å; E68-N72 VanDerWaalsContact O-CG 3.26Å; E68-N72 PolarHBondContact O-N 3.38Å; E68-N72 PolarHBondContact O-ND2 3.23Å
69F97.7Very high95.7Very high129 Ų129107.8 Ų107.857%0.56653%0.525SS*.Hα-helixtrans-61.1-42175.7-76.5-52.4000112.4E65 N66 K71 N72 L73E65-F69 HydrophobicContact CB-CD2 4.41Å; E65-F69 HydrophobicContact CB-CE2 4.23Å; E65-F69 WeakPolarHBondContact O-CD2 3.29Å; E65-F69 WeakPolarHBondContact O-CG 3.26Å; E65-F69 PolarHBondContact O-N 2.95Å; N66-F69 PolarHBondContact O-N 2.93Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.47Å; F69-N72 PolarHBondContact O-N 2.88Å; F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.49Å
70Q97.6Very high95.1Very high102 Ų102105.7 Ų105.748%0.47751%0.514SS..Hα-helixtrans-61.5-42.9176-73.6177.71600111.7N66 V67 E68 L73 Q74N66-Q70 VanDerWaalsContact O-CG 3.3Å; N66-Q70 WeakPolarHBondContact O-CG 3.42Å; N66-Q70 PolarHBondContact O-N 3.31Å; N66-Q70 PolarHBondContact OD1-NE2 3.39Å; V67-Q70 PolarHBondContact O-N 2.94Å; E68-Q70 VanDerWaalsContact C-N 3.35Å; E68-Q70 PolarHBondContact O-N 2.69Å; Q70-L73 PolarHBondContact O-N 2.89Å; Q70-Q74 WeakPolarHBondContact O-CG 3.27Å; Q70-Q74 PolarHBondContact O-N 3.39Å
71K97.6Very high94.3Very high125 Ų125105.7 Ų105.754%0.54352%0.517SS..Hα-helixtrans-61.4-48.5175.2-176.1-174173-169.50111.1V67 E68 F69 L73 Q74 D75V67-K71 PolarHBondContact O-N 2.99Å; E68-K71 WeakPolarHBondContact O-CB 3.49Å; E68-K71 PolarHBondContact O-N 3.12Å; F69-K71 VanDerWaalsContact C-N 3.33Å; F69-K71 PolarHBondContact O-N 3.47Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 2.99Å; K71-Q74 WeakPolarHBondContact O-CB 3.48Å; K71-Q74 PolarHBondContact O-N 2.89Å; K71-Q74 VanDerWaalsContact O-N 3.12Å; K71-D75 PolarHBondContact O-N 2.86Å
72N96.4Very high93.5Very high72 Ų72105.2 Ų105.239%0.38552%0.524SS..Hα-helixtrans-60.2-40.2178.6-69.5-17.1000111.7E68 F69 D75 C76E68-N72 WeakPolarHBondContact O-CB 3.35Å; E68-N72 VanDerWaalsContact O-CG 3.26Å; E68-N72 PolarHBondContact O-N 3.38Å; E68-N72 PolarHBondContact O-ND2 3.23Å; F69-N72 PolarHBondContact O-N 2.88Å; N72-D75 PolarHBondContact O-N 3.32Å; N72-C76 WeakPolarHBondContact O-CB 3.47Å; N72-C76 PolarHBondContact O-N 2.93Å; N72-C76 PolarHBondContact O-SG 3.22Å
73L94.8Very high92.7Very high124 Ų124103 Ų10365%0.64952%0.521SS*.Hα-helixtrans-63.2-42.8174.5-76.9170.5000112.3F69 Q70 K71 C76 H77F69-L73 WeakPolarHBondContact O-CB 3.47Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.49Å; Q70-L73 PolarHBondContact O-N 2.89Å; K71-L73 VanDerWaalsContact C-N 3.29Å; K71-L73 PolarHBondContact O-N 2.99Å; L73-C76 PolarHBondContact O-N 3.38Å; L73-H77 WeakPolarHBondContact O-CB 3.43Å; L73-H77 PolarHBondContact O-N 3.36Å
74Q94.4Very high91.8Very high123 Ų123106.6 Ų106.658%0.57554%0.535SS*.Hα-helixtrans-64.1-41.5175.9-73.2178.42.800112Q70 K71 H77 R78Q70-Q74 WeakPolarHBondContact O-CG 3.27Å; Q70-Q74 PolarHBondContact O-N 3.39Å; K71-Q74 WeakPolarHBondContact O-CB 3.48Å; K71-Q74 PolarHBondContact O-N 2.89Å; K71-Q74 VanDerWaalsContact O-N 3.12Å; Q74-H77 PolarHBondContact O-N 2.9Å; Q74-R78 WeakPolarHBondContact O-CB 3.3Å; Q74-R78 PolarHBondContact O-N 3.42Å
75D94.4Very high90.4Very high63 Ų63102.8 Ų102.834%0.33752%0.521SS..Hα-helixtrans-65.3-45.7177.7-73-20000110.9K71 N72 H77 R78 L79K71-D75 PolarHBondContact O-N 2.86Å; N72-D75 PolarHBondContact O-N 3.32Å; D75-H77 PolarHBondContact O-N 3.32Å; D75-R78 WeakPolarHBondContact O-CB 3.48Å; D75-R78 PolarHBondContact O-N 3.44Å; D75-L79 WeakPolarHBondContact O-CG 3.43Å; D75-L79 PolarHBondContact O-N 3.44Å
76C89.9Confident88.9Confident69 Ų69100.3 Ų100.347%0.46651%0.51SS..Hα-helixtrans-58.1-47.2172.6-75.40000111.8N72 L73 R78 L79 L80N72-C76 WeakPolarHBondContact O-CB 3.47Å; N72-C76 PolarHBondContact O-N 2.93Å; N72-C76 PolarHBondContact O-SG 3.22Å; L73-C76 PolarHBondContact O-N 3.38Å; C76-R78 VanDerWaalsContact C-N 3.31Å; C76-R78 PolarHBondContact O-N 3.29Å; C76-L79 PolarHBondContact O-N 2.87Å; C76-L80 VanDerWaalsContact O-CG 3.27Å; C76-L80 WeakPolarHBondContact O-CG 3.33Å; C76-L80 PolarHBondContact O-N 3.42Å
77H87.7Confident87.3Confident111 Ų111100 Ų10051%0.51451%0.513SS..Hα-helixtrans-58-44.6177.3179.670.3000111.6L73 Q74 D75 L79 L80 V81L73-H77 WeakPolarHBondContact O-CB 3.43Å; L73-H77 PolarHBondContact O-N 3.36Å; Q74-H77 PolarHBondContact O-N 2.9Å; D75-H77 PolarHBondContact O-N 3.32Å; H77-L79 PolarHBondContact O-N 3.04Å; H77-L80 PolarHBondContact O-N 3.23Å; H77-V81 WeakPolarHBondContact O-CG2 3.38Å; H77-V81 PolarHBondContact O-N 3.47Å
78R89.3Confident85.7Confident174 Ų174101.4 Ų101.466%0.65752%0.522SS*.Hα-helixtrans-60.1-44.8176.9-169.8-171.1-56.2-121.50.1111.9Q74 D75 C76 S82Q74-R78 WeakPolarHBondContact O-CB 3.3Å; Q74-R78 PolarHBondContact O-N 3.42Å; D75-R78 WeakPolarHBondContact O-CB 3.48Å; D75-R78 PolarHBondContact O-N 3.44Å; C76-R78 VanDerWaalsContact C-N 3.31Å; C76-R78 PolarHBondContact O-N 3.29Å; R78-S82 VanDerWaalsContact O-CB 3.29Å; R78-S82 WeakPolarHBondContact O-CB 3.28Å; R78-S82 PolarHBondContact O-N 3.19Å; R78-S82 PolarHBondContact O-OG 3.26Å
79L88.8Confident83.8Confident117 Ų11799.4 Ų99.461%0.61352%0.515SS*.Hα-helixtrans-61.2-47177-70.9174.3000111.3D75 C76 H77 S82 A83D75-L79 WeakPolarHBondContact O-CG 3.43Å; D75-L79 PolarHBondContact O-N 3.44Å; C76-L79 PolarHBondContact O-N 2.87Å; H77-L79 PolarHBondContact O-N 3.04Å; L79-S82 WeakPolarHBondContact CA-OG 3.44Å; L79-S82 PolarHBondContact O-N 2.92Å; L79-S82 PolarHBondContact O-OG 3.07Å; L79-A83 WeakPolarHBondContact O-CB 3.36Å; L79-A83 PolarHBondContact O-N 3.47Å
80L84.3Confident81.8Confident57 Ų5796.2 Ų96.230%0.29852%0.518SS..Hα-helixtrans-62.1-47.1179.9-66.8169.5000111.8C76 H77 S82 A83 K84 I85 P87C76-L80 VanDerWaalsContact O-CG 3.27Å; C76-L80 WeakPolarHBondContact O-CG 3.33Å; C76-L80 PolarHBondContact O-N 3.42Å; H77-L80 PolarHBondContact O-N 3.23Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.49Å; L80-A83 CarbonylContact O-C 3.58Å; L80-A83 PolarHBondContact O-N 2.99Å; L80-K84 PolarHBondContact O-N 2.88Å; L80-K84 VanDerWaalsContact O-N 3.13Å; L80-I85 HydrophobicContact CD2-CB 4.04Å; L80-I85 HydrophobicContact CD2-CG2 3.7Å; L80-I85 PolarHBondContact O-N 3.39Å; L80-P87 HydrophobicContact CD1-CB 4Å
81V83.2Confident79.8Confident84 Ų8498.9 Ų98.951%0.50953%0.53SS..Hα-helixtrans-61-43.2175.1172.40000111.3H77 A83 K84H77-V81 WeakPolarHBondContact O-CG2 3.38Å; H77-V81 PolarHBondContact O-N 3.47Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 2.82Å; V81-K84 PolarHBondContact O-N 3.46Å
82S81.3Confident77.9Confident89 Ų89100.2 Ų100.262%0.62253%0.532SS*.Hα-helixtrans-62.4-36.2178.576.30000112.6R78 L79 L80 K84R78-S82 VanDerWaalsContact O-CB 3.29Å; R78-S82 WeakPolarHBondContact O-CB 3.28Å; R78-S82 PolarHBondContact O-N 3.19Å; R78-S82 PolarHBondContact O-OG 3.26Å; L79-S82 WeakPolarHBondContact CA-OG 3.44Å; L79-S82 PolarHBondContact O-N 2.92Å; L79-S82 PolarHBondContact O-OG 3.07Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.49Å; S82-K84 PolarHBondContact O-N 3.33Å
83A81.4Confident76Confident56 Ų56100 Ų10046%0.46353%0.533SS..THydrogen-bonded Turntrans-80.6-0.217600000113.1L79 L80 V81 I85L79-A83 WeakPolarHBondContact O-CB 3.36Å; L79-A83 PolarHBondContact O-N 3.47Å; L80-A83 CarbonylContact O-C 3.58Å; L80-A83 PolarHBondContact O-N 2.99Å; V81-A83 VanDerWaalsContact C-N 3.27Å; V81-A83 PolarHBondContact O-N 2.82Å; A83-I85 HydrophobicContact CB-CB 4.34Å; A83-I85 HydrophobicContact CB-CD1 3.56Å; A83-I85 HydrophobicContact CB-CG1 3.65Å; A83-I85 PolarHBondContact O-N 3.5Å; A83-I85 VanDerWaalsContact O-N 3.16Å
84K78.3Confident74.4Confident196 Ų19695.7 Ų95.785%0.85252%0.519SS*.THydrogen-bonded Turntrans52.828.3-170.6-55.4-178.9-179.5-179.60112.6L80 V81 S82L80-K84 PolarHBondContact O-N 2.88Å; L80-K84 VanDerWaalsContact O-N 3.13Å; V81-K84 PolarHBondContact O-N 3.46Å; S82-K84 PolarHBondContact O-N 3.33Å
85I69.3Low73.2Confident64 Ų6493.8 Ų93.833%0.32851%0.513SS..  trans-86.1119.8176.4-65.5174.8000106.9L80 A83 P87 V93L80-I85 HydrophobicContact CD2-CB 4.04Å; L80-I85 HydrophobicContact CD2-CG2 3.7Å; L80-I85 PolarHBondContact O-N 3.39Å; A83-I85 HydrophobicContact CB-CB 4.34Å; A83-I85 HydrophobicContact CB-CD1 3.56Å; A83-I85 HydrophobicContact CB-CG1 3.65Å; A83-I85 PolarHBondContact O-N 3.5Å; A83-I85 VanDerWaalsContact O-N 3.16Å; I85-P87 VanDerWaalsContact O-CD 3.26Å; I85-P87 WeakPolarHBondContact O-CD 3.13Å; I85-V93 HydrophobicContact CG2-CG2 3.77Å
86D66.4Low72Confident46 Ų4693.5 Ų93.525%0.24652%0.519CS..  trans-77.5113.1175-171-24.4000109.4V88 L89 R92D86-V88 PolarHBondContact O-N 3.12Å; D86-V88 WeakPolarHBondContact OD1-CB 3.29Å; D86-V88 PolarHBondContact OD1-N 3.03Å; D86-L89 HydrophobicContact CB-CB 4.36Å; D86-L89 PolarHBondContact OD1-N 3.44Å; D86-L89 WeakPolarHBondContact OD2-CD1 3.5Å; D86-R92 IonicContact OD2-NH1 2.86Å
87P63.9Low71.2Confident80 Ų8093.1 Ų93.152%0.51952%0.521SS..SBendtrans-67.5-17.9-179.624-30.4000113.8L80 I85L80-P87 HydrophobicContact CD1-CB 4Å; I85-P87 VanDerWaalsContact O-CD 3.26Å; I85-P87 WeakPolarHBondContact O-CD 3.13Å
88V64.6Low70.8Confident128 Ų12895.9 Ų95.978%0.77653%0.527SS*.SBendtrans-94.2-23.9-174.2-173.50000111.5D86D86-V88 PolarHBondContact O-N 3.12Å; D86-V88 WeakPolarHBondContact OD1-CB 3.29Å; D86-V88 PolarHBondContact OD1-N 3.03Å
89L57.6Low70.5Confident79 Ų7993.3 Ų93.341%0.41452%0.523SS..  trans-116.478.3-178.4-65.4172.5000110.1D86 E91 R92D86-L89 HydrophobicContact CB-CB 4.36Å; D86-L89 PolarHBondContact OD1-N 3.44Å; D86-L89 WeakPolarHBondContact OD2-CD1 3.5Å; L89-E91 PolarHBondContact O-N 3.22Å; L89-R92 HydrophobicContact CB-CB 4.31Å; L89-R92 HydrophobicContact CB-CG 3.88Å; L89-R92 HydrophobicContact CD1-CG 4.21Å; L89-R92 PolarHBondContact O-N 2.99Å
90G56.2Low70.3Confident62 Ų6295.1 Ų95.164%0.63953%0.526SS*.Hα-helixtrans-53.1-22.6173.600000113.8
91E55.8Low70.5Confident157 Ų15796.3 Ų96.373%0.73453%0.53SS*.Hα-helixtrans-67-38.4174.6-160.9169-151.100112.8L89 V93 G94 D95L89-E91 PolarHBondContact O-N 3.22Å; E91-V93 PolarHBondContact O-N 3.5Å; E91-G94 PolarHBondContact O-N 3.37Å; E91-G94 VanDerWaalsContact O-N 3.16Å; E91-D95 PolarHBondContact O-N 2.96Å
92R57.4Low70.9Confident153 Ų15396.4 Ų96.458%0.57753%0.527SS*.Hα-helixtrans-69.7-20.1-179.7-65.5-173.976.1-156.54.3113.4D86 L89 A96D86-R92 IonicContact OD2-NH1 2.86Å; L89-R92 HydrophobicContact CB-CB 4.31Å; L89-R92 HydrophobicContact CB-CG 3.88Å; L89-R92 HydrophobicContact CD1-CG 4.21Å; L89-R92 PolarHBondContact O-N 2.99Å; R92-A96 PolarHBondContact O-N 3.1Å; R92-A96 VanDerWaalsContact O-N 3.14Å
93V56.6Low71.5Confident67 Ų6796.8 Ų96.841%0.40652%0.519SS..Hα-helixtrans-69.9-37.3175.1-172.70000110.8I85 E91 A97I85-V93 HydrophobicContact CG2-CG2 3.77Å; E91-V93 PolarHBondContact O-N 3.5Å; V93-A97 PolarHBondContact O-N 3.1Å
94G61.8Low72Confident35 Ų35101.3 Ų101.336%0.36152%0.524SS..Hα-helixtrans-66.5-41.3174.200000112.2E91 A97 R98E91-G94 PolarHBondContact O-N 3.37Å; E91-G94 VanDerWaalsContact O-N 3.16Å; G94-A97 PolarHBondContact O-N 3.49Å; G94-R98 VanDerWaalsContact O-CG 3.32Å; G94-R98 WeakPolarHBondContact O-CG 3.48Å; G94-R98 PolarHBondContact O-N 2.92Å
95D68.1Low72.8Confident82 Ų8297.1 Ų97.144%0.43951%0.506SS..Hα-helixtrans-70.7-41.3-176.6-64.5-27000112.9E91 A97 R98 Q99E91-D95 PolarHBondContact O-N 2.96Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.96Å; D95-R98 PolarHBondContact O-N 3.25Å; D95-Q99 WeakPolarHBondContact O-CB 3.48Å; D95-Q99 PolarHBondContact O-N 3.23Å
96A70.6Confident74.1Confident57 Ų57100.6 Ų100.647%0.47152%0.521SS..Hα-helixtrans-64.3-36.3175.600000112.3R92 K100R92-A96 PolarHBondContact O-N 3.1Å; R92-A96 VanDerWaalsContact O-N 3.14Å; A96-K100 PolarHBondContact O-N 3.07Å; A96-K100 VanDerWaalsContact O-N 3.1Å
97A73.1Confident75.5Confident62 Ų62103.3 Ų103.351%0.51254%0.539SS..Hα-helixtrans-68.3-42.9175.200000111.8V93 G94 D95 K100 E101V93-A97 PolarHBondContact O-N 3.1Å; G94-A97 PolarHBondContact O-N 3.49Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.96Å; A97-K100 PolarHBondContact O-N 3.36Å; A97-E101 PolarHBondContact O-N 3.45Å
98R79.3Confident77Confident168 Ų168105 Ų10563%0.63454%0.541SS*.Hα-helixtrans-61-48.5174.4-75.9173.7177.8173.7-0.7111.5G94 D95 K100 E101 D102G94-R98 VanDerWaalsContact O-CG 3.32Å; G94-R98 WeakPolarHBondContact O-CG 3.48Å; G94-R98 PolarHBondContact O-N 2.92Å; D95-R98 PolarHBondContact O-N 3.25Å; R98-K100 PolarHBondContact O-N 2.89Å; R98-E101 WeakPolarHBondContact O-CB 3.49Å; R98-E101 PolarHBondContact O-N 3.09Å; R98-D102 PolarHBondContact O-N 3.38Å
99Q83.5Confident78.6Confident120 Ų120101.5 Ų101.556%0.56152%0.523SS*.Hα-helixtrans-60-43.6179.6-170.4174.37.500112D95 E101 D102 E103D95-Q99 WeakPolarHBondContact O-CB 3.48Å; D95-Q99 PolarHBondContact O-N 3.23Å; Q99-E101 VanDerWaalsContact C-N 3.31Å; Q99-E101 PolarHBondContact O-N 3.43Å; Q99-D102 PolarHBondContact O-N 3.12Å; Q99-E103 WeakPolarHBondContact O-CB 3.39Å; Q99-E103 WeakPolarHBondContact O-CG 3.5Å; Q99-E103 PolarHBondContact O-N 3.15Å
100K84.1Confident80.5Confident155 Ų155102.2 Ų102.267%0.67453%0.53SS*.Hα-helixtrans-64-35174.4-82.8-147.7177.1-1700113.4A96 A97 R98 R104A96-K100 PolarHBondContact O-N 3.07Å; A96-K100 VanDerWaalsContact O-N 3.1Å; A97-K100 PolarHBondContact O-N 3.36Å; R98-K100 PolarHBondContact O-N 2.89Å; K100-R104 WeakPolarHBondContact O-CB 3.34Å; K100-R104 PolarHBondContact O-N 3.18Å
101E88.3Confident82.4Confident82 Ų82102.1 Ų102.138%0.38352%0.519SS..Hα-helixtrans-69.2-40175.9-175174.8158.900111.6A97 R98 Q99 R104 K105A97-E101 PolarHBondContact O-N 3.45Å; R98-E101 WeakPolarHBondContact O-CB 3.49Å; R98-E101 PolarHBondContact O-N 3.09Å; Q99-E101 VanDerWaalsContact C-N 3.31Å; Q99-E101 PolarHBondContact O-N 3.43Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 PolarHBondContact O-N 3.41Å; E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 2.94Å; E101-K105 VanDerWaalsContact OE1-CE 3.25Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 3.66Å; E101-K105 PolarHBondContact OE1-NZ 3.26Å
102D91.4Very high84.4Confident86 Ų8697.7 Ų97.746%0.4650%0.504SS..Hα-helixtrans-67.6-45.1177.4-66.4-24.3000111.4R98 Q99 R104 K105 E106R98-D102 PolarHBondContact O-N 3.38Å; Q99-D102 PolarHBondContact O-N 3.12Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.46Å; D102-K105 WeakPolarHBondContact O-CB 3.42Å; D102-K105 PolarHBondContact O-N 2.97Å; D102-K105 VanDerWaalsContact O-N 3.07Å; D102-K105 IonicContact OD1-NZ 3.93Å; D102-E106 PolarHBondContact O-N 3.03Å
103E93Very high86.3Confident98 Ų9893.8 Ų93.846%0.45849%0.494SS..Hα-helixtrans-55.5-42.9170.7-74.8172.8-173.800111.3Q99 K105 E106 V107Q99-E103 WeakPolarHBondContact O-CB 3.39Å; Q99-E103 WeakPolarHBondContact O-CG 3.5Å; Q99-E103 PolarHBondContact O-N 3.15Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.29Å; E103-E106 PolarHBondContact O-N 3.39Å; E103-V107 VanDerWaalsContact O-CG2 3.3Å; E103-V107 WeakPolarHBondContact O-CG2 3.27Å; E103-V107 PolarHBondContact O-N 3.03Å
104R93.1Very high88.3Confident151 Ų15195.1 Ų95.157%0.5750%0.498SS*.Hα-helixtrans-64-39.1177.5-166.5-177.582.4-121.33111.8K100 E101 D102 M108K100-R104 WeakPolarHBondContact O-CB 3.34Å; K100-R104 PolarHBondContact O-N 3.18Å; E101-R104 WeakPolarHBondContact O-CB 3.44Å; E101-R104 PolarHBondContact O-N 3.41Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.46Å; R104-M108 WeakPolarHBondContact O-CB 3.36Å; R104-M108 PolarHBondContact O-N 3.31Å
105K95.4Very high90Very high108 Ų10899 Ų9947%0.4751%0.51SS..Hα-helixtrans-66.2-44177-75.1170.1-174.6155.80111.2E101 D102 E103 M108 S109E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 2.94Å; E101-K105 VanDerWaalsContact OE1-CE 3.25Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 3.66Å; E101-K105 PolarHBondContact OE1-NZ 3.26Å; D102-K105 WeakPolarHBondContact O-CB 3.42Å; D102-K105 PolarHBondContact O-N 2.97Å; D102-K105 VanDerWaalsContact O-N 3.07Å; D102-K105 IonicContact OD1-NZ 3.93Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.29Å; K105-M108 WeakPolarHBondContact O-CB 3.38Å; K105-M108 PolarHBondContact O-N 2.99Å; K105-S109 PolarHBondContact O-N 2.96Å
106E96.3Very high91.4Very high136 Ų136103 Ų10364%0.63652%0.519SS*.Hα-helixtrans-63.2-45.8176.6-73.3-166159.500112.1D102 E103 M108 S109 V110D102-E106 PolarHBondContact O-N 3.03Å; E103-E106 PolarHBondContact O-N 3.39Å; E106-M108 VanDerWaalsContact C-N 3.25Å; E106-M108 PolarHBondContact O-N 3.06Å; E106-S109 PolarHBondContact O-N 3.3Å; E106-S109 PolarHBondContact O-OG 3.12Å; E106-V110 WeakPolarHBondContact O-CG2 3.43Å; E106-V110 PolarHBondContact O-N 2.88Å
107V96.4Very high92.7Very high103 Ų103106.7 Ų106.762%0.62453%0.527SS*.Hα-helixtrans-59.4-41.7176170.10000110.5E103 S111E103-V107 VanDerWaalsContact O-CG2 3.3Å; E103-V107 WeakPolarHBondContact O-CG2 3.27Å; E103-V107 PolarHBondContact O-N 3.03Å; V107-S111 WeakPolarHBondContact O-CB 3.26Å; V107-S111 PolarHBondContact O-N 3.02Å
108M95.3Very high93.9Very high115 Ų115108.8 Ų108.857%0.56753%0.529SS*.Hα-helixtrans-64-45177.3-164.565.760.400111.6R104 K105 E106 S111 T112R104-M108 WeakPolarHBondContact O-CB 3.36Å; R104-M108 PolarHBondContact O-N 3.31Å; K105-M108 WeakPolarHBondContact O-CB 3.38Å; K105-M108 PolarHBondContact O-N 2.99Å; E106-M108 VanDerWaalsContact C-N 3.25Å; E106-M108 PolarHBondContact O-N 3.06Å; M108-S111 PolarHBondContact O-N 3.45Å; M108-T112 WeakPolarHBondContact O-CG2 3.26Å; M108-T112 PolarHBondContact O-N 3.38Å; M108-T112 PolarHBondContact O-OG1 2.97Å
109S97.1Very high94.8Very high55 Ų55107.9 Ų107.939%0.38553%0.529SS..Hα-helixtrans-63.7-48.5-179.668.70000111.3K105 E106 S111 T112 D113K105-S109 PolarHBondContact O-N 2.96Å; E106-S109 PolarHBondContact O-N 3.3Å; E106-S109 PolarHBondContact O-OG 3.12Å; S109-S111 VanDerWaalsContact C-N 3.29Å; S109-S111 PolarHBondContact O-N 2.89Å; S109-T112 WeakPolarHBondContact CA-OG1 3.33Å; S109-T112 PolarHBondContact O-N 2.95Å; S109-T112 VanDerWaalsContact O-N 3.08Å; S109-T112 PolarHBondContact O-OG1 3.02Å; S109-D113 PolarHBondContact O-N 3.46Å
110V97.3Very high95.4Very high94 Ų94104.3 Ų104.357%0.5752%0.52SS*.Hα-helixtrans-59.3-42.3177173.90000110.7E106 T112 D113 L114E106-V110 WeakPolarHBondContact O-CG2 3.43Å; E106-V110 PolarHBondContact O-N 2.88Å; V110-T112 VanDerWaalsContact C-N 3.32Å; V110-T112 PolarHBondContact O-N 3.37Å; V110-D113 PolarHBondContact O-N 2.98Å; V110-L114 WeakPolarHBondContact O-CB 3.25Å; V110-L114 PolarHBondContact O-N 3.29Å
111S96.9Very high96.1Very high60 Ų60103.9 Ų103.942%0.4252%0.519SS..Hα-helixtrans-65.6-35.1177.8-160.10000112.4V107 M108 S109 L115V107-S111 WeakPolarHBondContact O-CB 3.26Å; V107-S111 PolarHBondContact O-N 3.02Å; M108-S111 PolarHBondContact O-N 3.45Å; S109-S111 VanDerWaalsContact C-N 3.29Å; S109-S111 PolarHBondContact O-N 2.89Å; S111-L115 WeakPolarHBondContact O-CB 3.44Å; S111-L115 PolarHBondContact O-N 3.36Å; S111-L115 VanDerWaalsContact O-N 3.12Å
112T97.4Very high96.5Very high65 Ų65101.4 Ų101.440%0.39952%0.515SS..Hα-helixtrans-71.2-36.517556.90000113.1M108 S109 V110 L115 R116M108-T112 WeakPolarHBondContact O-CG2 3.26Å; M108-T112 PolarHBondContact O-N 3.38Å; M108-T112 PolarHBondContact O-OG1 2.97Å; S109-T112 WeakPolarHBondContact CA-OG1 3.33Å; S109-T112 PolarHBondContact O-N 2.95Å; S109-T112 VanDerWaalsContact O-N 3.08Å; S109-T112 PolarHBondContact O-OG1 3.02Å; V110-T112 VanDerWaalsContact C-N 3.32Å; V110-T112 PolarHBondContact O-N 3.37Å; T112-L115 PolarHBondContact O-N 3.2Å; T112-R116 PolarHBondContact O-N 2.96Å; T112-R116 VanDerWaalsContact O-N 3.08Å
113D97.8Very high96.8Very high71 Ų71102 Ų10238%0.3852%0.518SS..Hα-helixtrans-69.7-43.7177-71.4-27000110.8S109 V110 L115 R116 E117S109-D113 PolarHBondContact O-N 3.46Å; V110-D113 PolarHBondContact O-N 2.98Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.74Å; D113-R116 WeakPolarHBondContact O-CB 3.5Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 IonicContact OD1-CZ 3.67Å; D113-R116 IonicContact OD1-NH1 3.96Å; D113-R116 IonicContact OD1-NH2 3.78Å; D113-R116 PolarHBondContact OD1-NH2 3.36Å; D113-E117 PolarHBondContact O-N 3.29Å
114L97.7Very high97Very high95 Ų95101.6 Ų101.650%0.49752%0.518SS..Hα-helixtrans-58.2-43.7173.7179.562.4000111.8V110 R116 E117 L118V110-L114 WeakPolarHBondContact O-CB 3.25Å; V110-L114 PolarHBondContact O-N 3.29Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.93Å; L114-E117 PolarHBondContact O-N 3.12Å; L114-L118 HydrophobicContact CD1-CD1 4.33Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 VanDerWaalsContact O-CG 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 2.91Å
115L97.8Very high97.2Very high115 Ų11596.3 Ų96.360%0.60251%0.506SS*.Hα-helixtrans-59.8-40.2175.2-97.7162.1000112.2S111 T112 D113 K119S111-L115 WeakPolarHBondContact O-CB 3.44Å; S111-L115 PolarHBondContact O-N 3.36Å; S111-L115 VanDerWaalsContact O-N 3.12Å; T112-L115 PolarHBondContact O-N 3.2Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.74Å; L115-K119 WeakPolarHBondContact O-CB 2.88Å; L115-K119 PolarHBondContact O-N 2.69Å; L115-K119 VanDerWaalsContact O-N 3.1Å
116R97.9Very high97.3Very high167 Ų16794.6 Ų94.663%0.6351%0.508SS*.Hα-helixtrans-65.6-44.9177.5-169.2-173.1-57152.613.8111.2T112 D113 L114 K119 A120T112-R116 PolarHBondContact O-N 2.96Å; T112-R116 VanDerWaalsContact O-N 3.08Å; D113-R116 WeakPolarHBondContact O-CB 3.5Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 IonicContact OD1-CZ 3.67Å; D113-R116 IonicContact OD1-NH1 3.96Å; D113-R116 IonicContact OD1-NH2 3.78Å; D113-R116 PolarHBondContact OD1-NH2 3.36Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.93Å; R116-K119 PolarHBondContact O-N 3.35Å; R116-A120 PolarHBondContact O-N 3.42Å
117E98.1Very high97.2Very high135 Ų13593.7 Ų93.763%0.63150%0.504SS*.Hα-helixtrans-63.8-45.2177.5-74.3-174.1179.900112.1D113 L114 K119 A120 F121D113-E117 PolarHBondContact O-N 3.29Å; L114-E117 PolarHBondContact O-N 3.12Å; E117-K119 VanDerWaalsContact C-N 3.27Å; E117-K119 PolarHBondContact O-N 2.89Å; E117-A120 PolarHBondContact O-N 3.47Å; E117-F121 WeakPolarHBondContact O-CB 3.44Å; E117-F121 PolarHBondContact O-N 3.41Å
118L97.9Very high97.2Very high106 Ų10694 Ų9456%0.55550%0.499SS*.Hα-helixtrans-60.2-39.1177-74.7172.9000111.9L114 G122L114-L118 HydrophobicContact CD1-CD1 4.33Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.37Å; L114-L118 VanDerWaalsContact O-CG 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 2.91Å; L118-G122 PolarHBondContact O-N 3.41Å
119K97.7Very high97.2Very high149 Ų14996.5 Ų96.565%0.64850%0.502SS*.Hα-helixtrans-65.1-49.2175.4-169.4179.6-178.7-176.40111.4L115 R116 E117 F121 G122 D123L115-K119 WeakPolarHBondContact O-CB 2.88Å; L115-K119 PolarHBondContact O-N 2.69Å; L115-K119 VanDerWaalsContact O-N 3.1Å; R116-K119 PolarHBondContact O-N 3.35Å; E117-K119 VanDerWaalsContact C-N 3.27Å; E117-K119 PolarHBondContact O-N 2.89Å; K119-F121 VanDerWaalsContact C-N 3.3Å; K119-F121 PolarHBondContact O-N 2.9Å; K119-G122 PolarHBondContact O-N 3.41Å; K119-G122 VanDerWaalsContact O-N 3.14Å; K119-D123 VanDerWaalsContact O-CG 3.29Å; K119-D123 PolarHBondContact O-N 2.93Å
120A97.6Very high97Very high45 Ų4598.2 Ų98.237%0.37251%0.51SS..Hα-helixtrans-60-41.2177.400000111.9R116 E117 D123 I124R116-A120 PolarHBondContact O-N 3.42Å; E117-A120 PolarHBondContact O-N 3.47Å; A120-D123 PolarHBondContact O-N 3.46Å; A120-I124 WeakPolarHBondContact O-CD1 3.44Å; A120-I124 VanDerWaalsContact O-CG1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.29Å; A120-I124 PolarHBondContact O-N 2.98Å
121F97.9Very high96.8Very high146 Ų14699 Ų9964%0.6451%0.507SS*.Hα-helixtrans-61.1-45.5174.3179.4-96.2000111.6E117 K119 D123 I124 A125E117-F121 WeakPolarHBondContact O-CB 3.44Å; E117-F121 PolarHBondContact O-N 3.41Å; K119-F121 VanDerWaalsContact C-N 3.3Å; K119-F121 PolarHBondContact O-N 2.9Å; F121-D123 VanDerWaalsContact C-N 3.34Å; F121-D123 PolarHBondContact O-N 3.47Å; F121-I124 PolarHBondContact O-N 3.18Å; F121-A125 VanDerWaalsContact O-CB 3.31Å; F121-A125 WeakPolarHBondContact O-CB 3.33Å; F121-A125 PolarHBondContact O-N 2.85Å
122G97.3Very high96.6Very high29 Ų29102 Ų10230%0.29952%0.518SS..Hα-helixtrans-60.5-41.1175.800000113.1L118 K119 S126L118-G122 PolarHBondContact O-N 3.41Å; K119-G122 PolarHBondContact O-N 3.41Å; K119-G122 VanDerWaalsContact O-N 3.14Å; G122-S126 VanDerWaalsContact O-CB 3.3Å; G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 3.09Å; G122-S126 PolarHBondContact O-OG 3.04Å
123D97.4Very high96.3Very high99 Ų99103 Ų10353%0.52952%0.518SS..Hα-helixtrans-63.8-46.9176.2-66.9-24000110.8K119 A120 F121 S126 Q127K119-D123 VanDerWaalsContact O-CG 3.29Å; K119-D123 PolarHBondContact O-N 2.93Å; A120-D123 PolarHBondContact O-N 3.46Å; F121-D123 VanDerWaalsContact C-N 3.34Å; F121-D123 PolarHBondContact O-N 3.47Å; D123-S126 PolarHBondContact O-N 2.94Å; D123-Q127 WeakPolarHBondContact O-CB 3.23Å; D123-Q127 PolarHBondContact O-N 3.38Å
124I97.3Very high95.7Very high90 Ų90101.9 Ų101.946%0.46252%0.519SS..Hα-helixtrans-63.2-46.1177.6-67.7164.5000111.1A120 F121 S126 Q127 Q128A120-I124 WeakPolarHBondContact O-CD1 3.44Å; A120-I124 VanDerWaalsContact O-CG1 3.24Å; A120-I124 WeakPolarHBondContact O-CG1 3.29Å; A120-I124 PolarHBondContact O-N 2.98Å; F121-I124 PolarHBondContact O-N 3.18Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 3.28Å; I124-Q127 WeakPolarHBondContact O-CB 3.36Å; I124-Q127 PolarHBondContact O-N 2.92Å; I124-Q128 HydrophobicContact CG2-CG 4.41Å; I124-Q128 WeakPolarHBondContact O-CB 3.2Å; I124-Q128 WeakPolarHBondContact O-CG 3.28Å; I124-Q128 PolarHBondContact O-N 2.91Å
125A96.9Very high95Very high39 Ų39100.3 Ų100.332%0.32252%0.516SS..Hα-helixtrans-62.9-38.6178.800000111.6F121 Q128 R129F121-A125 VanDerWaalsContact O-CB 3.31Å; F121-A125 WeakPolarHBondContact O-CB 3.33Å; F121-A125 PolarHBondContact O-N 2.85Å; A125-Q128 PolarHBondContact O-N 2.93Å; A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 2.93Å
126S96.4Very high94.1Very high72 Ų72101 Ų10150%0.50352%0.516SS..Hα-helixtrans-66-42.1175.2-60.90000111.5G122 D123 I124 R129 T130G122-S126 VanDerWaalsContact O-CB 3.3Å; G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 3.09Å; G122-S126 PolarHBondContact O-OG 3.04Å; D123-S126 PolarHBondContact O-N 2.94Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 3.28Å; S126-R129 PolarHBondContact O-N 3.3Å; S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 2.73Å
127Q96.2Very high93.3Very high118 Ų118102.4 Ų102.455%0.55152%0.521SS*.Hα-helixtrans-62.2-47.7175.1-174.9177.5-200111.5D123 I124 R129 T130 Q131D123-Q127 WeakPolarHBondContact O-CB 3.23Å; D123-Q127 PolarHBondContact O-N 3.38Å; I124-Q127 WeakPolarHBondContact O-CB 3.36Å; I124-Q127 PolarHBondContact O-N 2.92Å; Q127-R129 PolarHBondContact O-N 3.42Å; Q127-T130 WeakPolarHBondContact O-CB 3.29Å; Q127-T130 PolarHBondContact O-N 3.02Å; Q127-Q131 PolarHBondContact O-N 3.34Å
128Q95.6Very high92.4Very high109 Ų109103.2 Ų103.251%0.50953%0.529SS..Hα-helixtrans-59.8-44176.2-75.5-177.9-15.100111.8I124 A125 T130 Q131 L132I124-Q128 HydrophobicContact CG2-CG 4.41Å; I124-Q128 WeakPolarHBondContact O-CB 3.2Å; I124-Q128 WeakPolarHBondContact O-CG 3.28Å; I124-Q128 PolarHBondContact O-N 2.91Å; A125-Q128 PolarHBondContact O-N 2.93Å; Q128-T130 VanDerWaalsContact C-N 3.29Å; Q128-T130 PolarHBondContact O-N 3.48Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.19Å
129R94.4Very high91.3Very high168 Ų168105.1 Ų105.163%0.63454%0.539SS*.Hα-helixtrans-58.5-42.8175.4-178.6177.5178.5167.62.3111.6A125 S126 Q127 L132 Q133A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 2.93Å; S126-R129 PolarHBondContact O-N 3.3Å; Q127-R129 PolarHBondContact O-N 3.42Å; R129-L132 PolarHBondContact O-N 2.94Å; R129-Q133 WeakPolarHBondContact O-CB 3.33Å; R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.41Å
130T94.2Very high89.2Confident90 Ų90101.1 Ų101.155%0.55253%0.53SS*.Hα-helixtrans-66.1-43179.8-52.50000111S126 Q127 Q128 Q133 A134S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 2.73Å; Q127-T130 WeakPolarHBondContact O-CB 3.29Å; Q127-T130 PolarHBondContact O-N 3.02Å; Q128-T130 VanDerWaalsContact C-N 3.29Å; Q128-T130 PolarHBondContact O-N 3.48Å; T130-Q133 PolarHBondContact O-N 3.33Å; T130-A134 WeakPolarHBondContact O-CB 3.43Å; T130-A134 PolarHBondContact O-N 3.31Å
131Q92.7Very high87.4Confident110 Ų110104.6 Ų104.651%0.51455%0.549SS..Hα-helixtrans-60.8-48.2174.5-75.3178.5-15.800111.9Q127 Q128 Q133 A134 S135Q127-Q131 PolarHBondContact O-N 3.34Å; Q128-Q131 PolarHBondContact O-N 2.96Å; Q131-Q133 VanDerWaalsContact C-N 3.35Å; Q131-Q133 PolarHBondContact O-N 3.19Å; Q131-A134 PolarHBondContact O-N 3.21Å; Q131-S135 PolarHBondContact O-N 3.41Å; Q131-S135 PolarHBondContact O-OG 3.22Å
132L91.9Very high85.1Confident123 Ų123109.7 Ų109.764%0.64458%0.581SS**Hα-helixtrans-61.9-40.8178.2-73.8171000112.3Q128 R129 S135 H136Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.19Å; R129-L132 PolarHBondContact O-N 2.94Å; L132-S135 PolarHBondContact O-N 2.92Å; L132-H136 VanDerWaalsContact O-CB 3.32Å; L132-H136 WeakPolarHBondContact O-CB 3.4Å; L132-H136 PolarHBondContact O-N 3.36Å
133Q90.8Very high84.5Confident87 Ų87113.8 Ų113.841%0.40760%0.595SS.*Hα-helixtrans-64.5-39.9174.8-74.8178.6-9.300112.2R129 T130 Q131 R137R129-Q133 WeakPolarHBondContact O-CB 3.33Å; R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.41Å; T130-Q133 PolarHBondContact O-N 3.33Å; Q131-Q133 VanDerWaalsContact C-N 3.35Å; Q131-Q133 PolarHBondContact O-N 3.19Å; Q133-R137 WeakPolarHBondContact O-CB 3.46Å; Q133-R137 VanDerWaalsContact O-CG 3.32Å; Q133-R137 WeakPolarHBondContact O-CG 3.34Å; Q133-R137 PolarHBondContact O-N 3.47Å
134A85.6Confident83.8Confident48 Ų48114.5 Ų114.540%0.39760%0.599SS.*Hα-helixtrans-65-45.9175.500000111.4T130 Q131 R137 L138T130-A134 WeakPolarHBondContact O-CB 3.43Å; T130-A134 PolarHBondContact O-N 3.31Å; Q131-A134 PolarHBondContact O-N 3.21Å; A134-R137 PolarHBondContact O-N 3.03Å; A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.17Å
135S83.4Confident83.1Confident61 Ų61115.9 Ų115.943%0.42761%0.606SS.*Hα-helixtrans-62-44.2175.2-64.10000112.1Q131 L132 R137 L138 L139Q131-S135 PolarHBondContact O-N 3.41Å; Q131-S135 PolarHBondContact O-OG 3.22Å; L132-S135 PolarHBondContact O-N 2.92Å; S135-R137 PolarHBondContact O-N 3.09Å; S135-L138 PolarHBondContact O-N 3.45Å; S135-L139 WeakPolarHBondContact O-CB 3.49Å; S135-L139 PolarHBondContact O-N 2.89Å
136H79.8Confident82.2Confident131 Ų131120.4 Ų120.461%0.60662%0.623SS**Hα-helixtrans-60.9-43.2174.9-178.2-43.8000111.5L132 L138 L139 S140L132-H136 VanDerWaalsContact O-CB 3.32Å; L132-H136 WeakPolarHBondContact O-CB 3.4Å; L132-H136 PolarHBondContact O-N 3.36Å; H136-L138 VanDerWaalsContact C-N 3.28Å; H136-L138 PolarHBondContact O-N 3.11Å; H136-L139 CarbonylContact O-C 3.55Å; H136-L139 PolarHBondContact O-N 2.98Å; H136-S140 PolarHBondContact O-N 2.8Å; H136-S140 PolarHBondContact O-OG 2.9Å
137R80.1Confident81.4Confident195 Ų195123.4 Ų123.474%0.73663%0.631SS**Hα-helixtrans-63.7-33.5176.4-78177.1179.8175.20.8112.7Q133 A134 S135Q133-R137 WeakPolarHBondContact O-CB 3.46Å; Q133-R137 VanDerWaalsContact O-CG 3.32Å; Q133-R137 WeakPolarHBondContact O-CG 3.34Å; Q133-R137 PolarHBondContact O-N 3.47Å; A134-R137 PolarHBondContact O-N 3.03Å; S135-R137 PolarHBondContact O-N 3.09Å
138L78.5Confident80.4Confident152 Ų152123.8 Ų123.880%0.79664%0.636SS**Hα-helixtrans-75.7-26.4175.6-73.9163.5000112.9A134 S135 H136A134-L138 WeakPolarHBondContact O-CG 3.4Å; A134-L138 PolarHBondContact O-N 3.17Å; S135-L138 PolarHBondContact O-N 3.45Å; H136-L138 VanDerWaalsContact C-N 3.28Å; H136-L138 PolarHBondContact O-N 3.11Å
139L75.6Confident79.3Confident146 Ų146124.9 Ų124.976%0.76465%0.645SS**Hα-helixtrans-97.4-6.7-178.8-85.4150.3000114.4S135 H136 P141S135-L139 WeakPolarHBondContact O-CB 3.49Å; S135-L139 PolarHBondContact O-N 2.89Å; H136-L139 CarbonylContact O-C 3.55Å; H136-L139 PolarHBondContact O-N 2.98Å; L139-P141 VanDerWaalsContact O-CD 3.22Å; L139-P141 WeakPolarHBondContact O-CD 3.48Å
140S54Low78.1Confident65 Ų65121.5 Ų121.546%0.45565%0.646SS.*  trans-93.7103.6170.569.20000110.4H136H136-S140 PolarHBondContact O-N 2.8Å; H136-S140 PolarHBondContact O-OG 2.9Å
141P60.2Low76.8Confident119 Ų119124.2 Ų124.277%0.77365%0.654SS**  trans-73.2135.7165.531.3-28.2000108.6L139L139-P141 VanDerWaalsContact O-CD 3.22Å; L139-P141 WeakPolarHBondContact O-CD 3.48Å
142L49Very low75.3Confident253 Ų253125.5 Ų125.5100%1.32567%0.666SS**  trans12.50167.4-77.1158.1000117.4

Retrieved 142 of 142 residues in 60.6 ms (Link to these results)