A0A087Y1Q7_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 6

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB (A0A3B3UI20), UniProt , Accession A0A087Y1Q7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 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
1M47.1Very low84.8Confident247 Ų247125.5 Ų125.5100%1.21766%0.661SS**  090.70-70.7-172.4157.500107.3G3M1-G3 PolarHBondContact O-N 3.32Å
2S62.2Low85.7Confident124 Ų124126.3 Ų126.387%0.86766%0.655SS**  trans-73.9117.3-172.352.90000109.4
3G83.1Confident86.5Confident64 Ų64127.3 Ų127.366%0.6666%0.655SS**  trans-70.4179.6167.500000111.8M1M1-G3 PolarHBondContact O-N 3.32Å
4Y85.3Confident87.3Confident167 Ų167126 Ų12666%0.65564%0.644SS**  trans-52.5138.4177.3-64.5-79000112.7E8 K9Y4-E8 WeakPolarHBondContact CA-OE2 3.32Å; Y4-E8 HydrophobicContact CD1-CB 4.11Å; Y4-K9 VanDerWaalsContact O-CE 3.25Å; Y4-K9 WeakPolarHBondContact O-CE 3.41Å
5T91.3Very high88Confident68 Ų68124.3 Ų124.342%0.41764%0.636SS.*  trans-64.1156.4169.661.40000110.5D7 E8 K9T5-D7 PolarHBondContact O-N 3.36Å; T5-E8 PolarHBondContact N-OE2 2.87Å; T5-E8 PolarHBondContact O-N 3.49Å; T5-E8 WeakPolarHBondContact OG1-CB 3.15Å; T5-E8 WeakPolarHBondContact OG1-CG 3.45Å; T5-E8 PolarHBondContact OG1-N 3.3Å; T5-E8 PolarHBondContact OG1-OE2 3.48Å; T5-K9 PolarHBondContact O-N 3.37Å
6P91.6Very high88.5Confident104 Ų104119.1 Ų119.168%0.67561%0.612SS**Hα-helixtrans-53.8-38.9178.3-27.135.7000113.4K9 L10P6-K9 PolarHBondContact O-N 3.24Å; P6-L10 WeakPolarHBondContact O-CB 3.31Å; P6-L10 PolarHBondContact O-N 2.97Å
7D93.7Very high89.1Confident126 Ų126120.3 Ų120.367%0.67461%0.612SS**Hα-helixtrans-69.6-39.7-180-64.6-22.6000112.3T5 K9 L10 R11T5-D7 PolarHBondContact O-N 3.36Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.9Å; D7-L10 PolarHBondContact O-N 3.05Å; D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.25Å; D7-R11 PolarHBondContact O-N 3.32Å
8E93.7Very high89.6Confident98 Ų98119.6 Ų119.646%0.45861%0.609SS.*Hα-helixtrans-63.9-39174.4-73.5166.715600111.6Y4 T5 F12Y4-E8 WeakPolarHBondContact CA-OE2 3.32Å; Y4-E8 HydrophobicContact CD1-CB 4.11Å; T5-E8 PolarHBondContact N-OE2 2.87Å; T5-E8 PolarHBondContact O-N 3.49Å; T5-E8 WeakPolarHBondContact OG1-CB 3.15Å; T5-E8 WeakPolarHBondContact OG1-CG 3.45Å; T5-E8 PolarHBondContact OG1-N 3.3Å; T5-E8 PolarHBondContact OG1-OE2 3.48Å; E8-F12 VanDerWaalsContact O-CB 3.25Å; E8-F12 WeakPolarHBondContact O-CB 3.43Å; E8-F12 PolarHBondContact O-N 3.04Å
9K93.7Very high90Very high115 Ų115120.9 Ų120.950%0.561%0.606SS.*Hα-helixtrans-65.4-43.7175.1-68.1-178.4-175.2172.60111.5Y4 T5 P6 D7 F12 Q13Y4-K9 VanDerWaalsContact O-CE 3.25Å; Y4-K9 WeakPolarHBondContact O-CE 3.41Å; T5-K9 PolarHBondContact O-N 3.37Å; P6-K9 PolarHBondContact O-N 3.24Å; D7-K9 VanDerWaalsContact C-N 3.33Å; D7-K9 PolarHBondContact O-N 2.9Å; K9-F12 PolarHBondContact O-N 3.43Å; K9-Q13 WeakPolarHBondContact O-CG 3.46Å; K9-Q13 PolarHBondContact O-N 3.41Å
10L95.6Very high90.3Very high94 Ų94124 Ų12449%0.49261%0.61SS.*Hα-helixtrans-63.2-45.7177.9-178.2142.5000110.9P6 D7 F12 Q13 Q14P6-L10 WeakPolarHBondContact O-CB 3.31Å; P6-L10 PolarHBondContact O-N 2.97Å; D7-L10 PolarHBondContact O-N 3.05Å; L10-F12 PolarHBondContact O-N 3.35Å; L10-Q13 PolarHBondContact O-N 3.48Å; L10-Q14 VanDerWaalsContact CD2-NE2 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.47Å; L10-Q14 PolarHBondContact O-N 3.21Å
11R95.4Very high90.7Very high174 Ų174122.9 Ų122.966%0.65760%0.603SS**Hα-helixtrans-62.6-41.9175.7-175.3174.3179.7151.20.5112.1D7 Q14 L15D7-R11 VanDerWaalsContact O-CB 3.31Å; D7-R11 WeakPolarHBondContact O-CB 3.25Å; D7-R11 PolarHBondContact O-N 3.32Å; R11-Q14 PolarHBondContact O-N 2.85Å; R11-L15 HydrophobicContact CG-CD1 4.36Å; R11-L15 WeakPolarHBondContact O-CG 3.46Å; R11-L15 PolarHBondContact O-N 3.32Å
12F96.3Very high93Very high134 Ų134118 Ų11859%0.58857%0.571SS**Hα-helixtrans-61.8-45.4177.3-177.7-99.6000111.5E8 K9 L10 Q14 L15 V16E8-F12 VanDerWaalsContact O-CB 3.25Å; E8-F12 WeakPolarHBondContact O-CB 3.43Å; E8-F12 PolarHBondContact O-N 3.04Å; K9-F12 PolarHBondContact O-N 3.43Å; L10-F12 PolarHBondContact O-N 3.35Å; F12-Q14 VanDerWaalsContact C-N 3.33Å; F12-Q14 PolarHBondContact O-N 3.07Å; F12-L15 PolarHBondContact O-N 3.14Å; F12-V16 HydrophobicContact CD1-CG2 4.01Å; F12-V16 HydrophobicContact CE1-CG2 3.64Å; F12-V16 HydrophobicContact CE2-CG2 4.25Å; F12-V16 HydrophobicContact CG-CG2 4.47Å; F12-V16 HydrophobicContact CZ-CG2 3.77Å; F12-V16 VanDerWaalsContact O-CG2 3.29Å; F12-V16 WeakPolarHBondContact O-CG2 3.47Å; F12-V16 PolarHBondContact O-N 3.46Å
13Q96.1Very high94.7Very high140 Ų140116.2 Ų116.265%0.65455%0.552SS**Hα-helixtrans-62.2-40176.9-72.5177.8-0.600112.4K9 L10 V16 K17K9-Q13 WeakPolarHBondContact O-CG 3.46Å; K9-Q13 PolarHBondContact O-N 3.41Å; L10-Q13 PolarHBondContact O-N 3.48Å; Q13-V16 PolarHBondContact O-N 2.84Å; Q13-K17 WeakPolarHBondContact O-CB 3.34Å; Q13-K17 PolarHBondContact O-N 3.38Å
14Q97.1Very high95.3Very high109 Ų109120 Ų12051%0.50955%0.55SS.*Hα-helixtrans-60.6-47.4174.6-72.1172.7-12.100111.6L10 R11 F12 V16 K17 L18L10-Q14 VanDerWaalsContact CD2-NE2 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.47Å; L10-Q14 PolarHBondContact O-N 3.21Å; R11-Q14 PolarHBondContact O-N 2.85Å; F12-Q14 VanDerWaalsContact C-N 3.33Å; F12-Q14 PolarHBondContact O-N 3.07Å; Q14-V16 PolarHBondContact O-N 2.84Å; Q14-K17 PolarHBondContact O-N 2.91Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.45Å
15L97.6Very high95.8Very high100 Ų100117.7 Ų117.752%0.52455%0.549SS..Hα-helixtrans-64-40.8177.7-71173.1000112.3R11 F12 K17 L18 R19R11-L15 HydrophobicContact CG-CD1 4.36Å; R11-L15 WeakPolarHBondContact O-CG 3.46Å; R11-L15 PolarHBondContact O-N 3.32Å; F12-L15 PolarHBondContact O-N 3.14Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.32Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-R19 VanDerWaalsContact O-CB 3.28Å; L15-R19 WeakPolarHBondContact O-CB 3.25Å; L15-R19 PolarHBondContact O-N 3Å
16V97.1Very high95.9Very high41 Ų41119.9 Ų119.925%0.24856%0.555CS.*Hα-helixtrans-63-41176.8169.50000111F12 Q13 Q14 R19 R20F12-V16 HydrophobicContact CD1-CG2 4.01Å; F12-V16 HydrophobicContact CE1-CG2 3.64Å; F12-V16 HydrophobicContact CE2-CG2 4.25Å; F12-V16 HydrophobicContact CG-CG2 4.47Å; F12-V16 HydrophobicContact CZ-CG2 3.77Å; F12-V16 VanDerWaalsContact O-CG2 3.29Å; F12-V16 WeakPolarHBondContact O-CG2 3.47Å; F12-V16 PolarHBondContact O-N 3.46Å; Q13-V16 PolarHBondContact O-N 2.84Å; Q14-V16 PolarHBondContact O-N 2.84Å; V16-R19 PolarHBondContact O-N 3.37Å; V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 3.15Å
17K97.6Very high96Very high140 Ų140121.9 Ų121.961%0.60956%0.555SS**Hα-helixtrans-62.7-48177-171.6179.2179.2-177.70111.4Q13 Q14 L15 R19 R20 Q21Q13-K17 WeakPolarHBondContact O-CB 3.34Å; Q13-K17 PolarHBondContact O-N 3.38Å; Q14-K17 PolarHBondContact O-N 2.91Å; L15-K17 VanDerWaalsContact C-N 3.33Å; L15-K17 PolarHBondContact O-N 3.32Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.39Å; K17-R20 PolarHBondContact O-N 2.89Å; K17-Q21 PolarHBondContact O-N 3.41Å; K17-Q21 VanDerWaalsContact O-N 3.14Å
18L97.8Very high95.7Very high107 Ų107122.7 Ų122.756%0.5656%0.559SS**Hα-helixtrans-61.4-41.9176.3-69.9171.8000111.6Q14 L15 R20 Q21 W22Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.45Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-R20 PolarHBondContact O-N 3.26Å; L18-Q21 PolarHBondContact O-N 2.99Å; L18-W22 WeakPolarHBondContact O-CB 3.29Å; L18-W22 PolarHBondContact O-N 2.98Å
19R97.4Very high95.3Very high145 Ų145121.9 Ų121.955%0.54756%0.563SS.*Hα-helixtrans-63-40.7178.5-177.658.8176.6-176.11.6112.1L15 V16 K17 W22 L23L15-R19 VanDerWaalsContact O-CB 3.28Å; L15-R19 WeakPolarHBondContact O-CB 3.25Å; L15-R19 PolarHBondContact O-N 3Å; V16-R19 PolarHBondContact O-N 3.37Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.39Å; R19-W22 PolarHBondContact O-N 3.39Å; R19-L23 HydrophobicContact CG-CD1 4.12Å; R19-L23 WeakPolarHBondContact O-CB 3.49Å; R19-L23 VanDerWaalsContact O-CG 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.21Å
20R97.2Very high94.9Very high182 Ų182125.6 Ų125.669%0.68758%0.582SS**Hα-helixtrans-66.5-38.7177.5-73.5175.7-178.5-178.81.5112.4V16 K17 L18 K24V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 3.15Å; K17-R20 PolarHBondContact O-N 2.89Å; L18-R20 PolarHBondContact O-N 3.26Å; R20-K24 PolarHBondContact O-N 2.89Å; R20-K24 VanDerWaalsContact O-N 3.13Å
21Q97Very high94.4Very high101 Ų101131.8 Ų131.847%0.47260%0.599SS.*Hα-helixtrans-65.6-48.5174.3-72.9176-40.300110.9K17 L18 L23 K24 D25K17-Q21 PolarHBondContact O-N 3.41Å; K17-Q21 VanDerWaalsContact O-N 3.14Å; L18-Q21 PolarHBondContact O-N 2.99Å; Q21-L23 VanDerWaalsContact C-N 3.31Å; Q21-L23 PolarHBondContact O-N 3.3Å; Q21-K24 WeakPolarHBondContact O-CA 3.45Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 3.42Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.13Å
22W96.9Very high93.7Very high144 Ų144129.2 Ų129.255%0.54560%0.595SS.*Hα-helixtrans-56.3-44.2176.1-179.8-94.7000112.7L18 R19 K24 D25 Q26L18-W22 WeakPolarHBondContact O-CB 3.29Å; L18-W22 PolarHBondContact O-N 2.98Å; R19-W22 PolarHBondContact O-N 3.39Å; W22-K24 VanDerWaalsContact C-N 3.29Å; W22-K24 PolarHBondContact O-N 3.04Å; W22-D25 PolarHBondContact O-N 3.31Å; W22-Q26 WeakPolarHBondContact O-CG 3.23Å; W22-Q26 PolarHBondContact O-N 2.96Å; W22-Q26 VanDerWaalsContact O-N 3.15Å
23L96.8Very high93.2Very high88 Ų88129.2 Ų129.246%0.46161%0.608SS.*Hα-helixtrans-63.2-36.2177.6-73.5169.4000112.3R19 Q21 Q26R19-L23 HydrophobicContact CG-CD1 4.12Å; R19-L23 WeakPolarHBondContact O-CB 3.49Å; R19-L23 VanDerWaalsContact O-CG 3.23Å; R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.21Å; Q21-L23 VanDerWaalsContact C-N 3.31Å; Q21-L23 PolarHBondContact O-N 3.3Å; L23-Q26 PolarHBondContact O-N 3.48Å
24K96.1Very high92.7Very high144 Ų144128.3 Ų128.363%0.62661%0.612SS**Hα-helixtrans-69.4-37.1174.9-168.4176.7-177.8-179.20111.8R20 Q21 W22 Q26 E27R20-K24 PolarHBondContact O-N 2.89Å; R20-K24 VanDerWaalsContact O-N 3.13Å; Q21-K24 WeakPolarHBondContact O-CA 3.45Å; Q21-K24 WeakPolarHBondContact O-CB 3.39Å; Q21-K24 PolarHBondContact O-N 3.42Å; W22-K24 VanDerWaalsContact C-N 3.29Å; W22-K24 PolarHBondContact O-N 3.04Å; K24-Q26 PolarHBondContact O-N 2.98Å; K24-E27 VanDerWaalsContact O-CB 3.31Å; K24-E27 WeakPolarHBondContact O-CB 3.31Å; K24-E27 PolarHBondContact O-N 3.47Å
25D95.8Very high92.3Very high118 Ų118130.9 Ų130.963%0.63163%0.628SS**Hα-helixtrans-70.7-14.8177.2-63.5-21.7000112.9Q21 W22 E27Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.13Å; W22-D25 PolarHBondContact O-N 3.31Å; D25-E27 VanDerWaalsContact C-N 3.33Å
26Q94.4Very high91.8Very high114 Ų114134.8 Ų134.853%0.53364%0.644SS.*THydrogen-bonded Turntrans-82.4-8.6170.5-66-63.5-77.900113.2W22 L23 K24 L28W22-Q26 WeakPolarHBondContact O-CG 3.23Å; W22-Q26 PolarHBondContact O-N 2.96Å; W22-Q26 VanDerWaalsContact O-N 3.15Å; L23-Q26 PolarHBondContact O-N 3.48Å; K24-Q26 PolarHBondContact O-N 2.98Å; Q26-L28 PolarHBondContact O-N 3.09Å; Q26-L28 VanDerWaalsContact O-N 3.09Å
27E92.8Very high91.3Very high146 Ų146138.4 Ų138.468%0.68267%0.668SS**  trans-70.8105.3173-64.2178.5-179.600109K24 D25K24-E27 VanDerWaalsContact O-CB 3.31Å; K24-E27 WeakPolarHBondContact O-CB 3.31Å; K24-E27 PolarHBondContact O-N 3.47Å; D25-E27 VanDerWaalsContact C-N 3.33Å
28L87.7Confident90.9Very high143 Ų143140.6 Ų140.675%0.74968%0.678SS**  trans-71.7136.6177.4-80.5130.4000110.8Q26Q26-L28 PolarHBondContact O-N 3.09Å; Q26-L28 VanDerWaalsContact O-N 3.09Å
29S85.9Confident90.4Very high80 Ų80140.5 Ų140.556%0.55968%0.683SS**  trans-69.6154170.582.40000110.5R31S29-R31 PolarHBondContact O-N 3.34Å; S29-R31 PolarHBondContact OG-N 3.06Å
30H85.2Confident90Very high193 Ų193138.1 Ų138.189%0.89468%0.681SS**SBendtrans-60.2-15.6178.5-170.461.5000114.4E32H30-E32 PolarHBondContact O-N 2.88Å
31R83.6Confident89.8Confident224 Ų224131.3 Ų131.385%0.84567%0.667SS**  trans-94.584.4-178-65.2-179.6-178.3164.80.9109.9S29S29-R31 PolarHBondContact O-N 3.34Å; S29-R31 PolarHBondContact OG-N 3.06Å
32E82.2Confident89.6Confident121 Ų121132 Ų13257%0.56568%0.681SS**  trans-85143.2169.9-65.6-177.3176.300110.2H30 V34H30-E32 PolarHBondContact O-N 2.88Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.33Å
33P84.3Confident89.4Confident133 Ų133129.3 Ų129.386%0.86468%0.68SS**  trans-67.194.716928-32.2000108.9
34V86.1Confident89.1Confident122 Ų122127.2 Ų127.274%0.73968%0.675SS**PPolyproline II helixtrans-83129.4176.8-177.10000109.1E32 Q36E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.97Å
35L88.9Confident89Confident163 Ų163126.2 Ų126.285%0.85367%0.671SS**PPolyproline II helixtrans-58.3130.2170.4-67.6174.9000109.4
36Q87.8Confident88.9Confident181 Ų181126.6 Ų126.685%0.84667%0.667SS**PPolyproline II helixtrans-59.5135.9178.6-66.5-151.36.400110.4V34 K38V34-Q36 PolarHBondContact O-N 2.97Å; Q36-K38 PolarHBondContact O-N 3.38Å
37P86.3Confident88.9Confident117 Ų117123 Ų12376%0.7665%0.649SS**PPolyproline II helixtrans-63.4134.2-179.225.8-33.1000109.7
38K88.8Confident88.9Confident187 Ų187118.1 Ų118.181%0.81363%0.633SS**PPolyproline II helixtrans-57.1135.3173.3-173.1175.1-178.2170.70109.1Q36 L40Q36-K38 PolarHBondContact O-N 3.38Å; K38-L40 PolarHBondContact O-N 3.26Å
39P86.8Confident89.1Confident104 Ų104113.2 Ų113.268%0.67562%0.617SS**PPolyproline II helixtrans-58.4131.2178.823.5-34.3000110.2
40L90.6Very high89.4Confident96 Ų96112.1 Ų112.150%0.50360%0.602SS.*PPolyproline II helixtrans-60.2142.9175.2-67.1172.3000110.2K38 A44 K45 A48K38-L40 PolarHBondContact O-N 3.26Å; L40-A44 HydrophobicContact CB-CB 4.07Å; L40-A44 HydrophobicContact CD2-CB 4.16Å; L40-K45 HydrophobicContact CB-CG 3.58Å; L40-K45 WeakPolarHBondContact O-CD 3.47Å; L40-K45 WeakPolarHBondContact O-CE 3.48Å; L40-K45 WeakPolarHBondContact O-CG 3.09Å; L40-A48 HydrophobicContact CD1-CB 4.04Å
41G92.3Very high89.8Confident38 Ų38104.6 Ų104.639%0.39257%0.568SS.*PPolyproline II helixtrans-65.4164.217100000112V43 A44 K45G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 2.82Å; G41-A44 CarbonylContact O-C 3.6Å; G41-A44 PolarHBondContact O-N 3.38Å; G41-K45 WeakPolarHBondContact O-CG 3.5Å; G41-K45 PolarHBondContact O-N 3.25Å
42P92.4Very high90Very high117 Ų117101.6 Ų101.676%0.7656%0.564SS**Hα-helixtrans-54-45-174.9-26.934.4000113.9K45 F46P42-K45 PolarHBondContact O-N 3.03Å; P42-F46 PolarHBondContact O-N 3.49Å
43V92.4Very high90.1Very high86 Ų8699.8 Ų99.852%0.52156%0.563SS.*Hα-helixtrans-66-41.5177.7177.50000111.3G41 F46 W47G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 2.82Å; V43-F46 PolarHBondContact O-N 3.38Å; V43-W47 PolarHBondContact O-N 2.82Å
44A91.7Very high90.2Very high44 Ų44102.1 Ų102.136%0.36456%0.559SS.*Hα-helixtrans-68.3-36.4178.500000111.9L40 G41 W47 A48L40-A44 HydrophobicContact CB-CB 4.07Å; L40-A44 HydrophobicContact CD2-CB 4.16Å; G41-A44 CarbonylContact O-C 3.6Å; G41-A44 PolarHBondContact O-N 3.38Å; A44-W47 PolarHBondContact O-N 3.4Å; A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.32Å; A44-A48 PolarHBondContact O-N 3.03Å
45K93.4Very high90.5Very high124 Ų12498.5 Ų98.554%0.53954%0.539SS..Hα-helixtrans-62.8-46172.3-75-179.1171174.10111.6L40 G41 P42 W47 A48 G49L40-K45 HydrophobicContact CB-CG 3.58Å; L40-K45 WeakPolarHBondContact O-CD 3.47Å; L40-K45 WeakPolarHBondContact O-CE 3.48Å; L40-K45 WeakPolarHBondContact O-CG 3.09Å; G41-K45 WeakPolarHBondContact O-CG 3.5Å; G41-K45 PolarHBondContact O-N 3.25Å; P42-K45 PolarHBondContact O-N 3.03Å; K45-W47 PolarHBondContact O-N 3.33Å; K45-A48 PolarHBondContact O-N 3.48Å; K45-G49 PolarHBondContact O-N 3.12Å
46F93.8Very high90.7Very high126 Ų12696.8 Ų96.855%0.55353%0.531SS*.Hα-helixtrans-56.9-50.5175.5168.9-95.8000111.3P42 V43 A48 G49 F50P42-F46 PolarHBondContact O-N 3.49Å; V43-F46 PolarHBondContact O-N 3.38Å; F46-A48 VanDerWaalsContact C-N 3.35Å; F46-A48 PolarHBondContact O-N 2.98Å; F46-G49 PolarHBondContact O-N 3.28Å; F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.42Å
47W94.3Very high91Very high38 Ų3897.4 Ų97.414%0.14453%0.525CS..Hα-helixtrans-65.6-37.2179.2-75.8114.9000112.5V43 A44 K45 F50 L51 H62 Y65V43-W47 PolarHBondContact O-N 2.82Å; A44-W47 PolarHBondContact O-N 3.4Å; K45-W47 PolarHBondContact O-N 3.33Å; W47-F50 HydrophobicContact CE3-CB 4.41Å; W47-F50 AromaticContact CE3-CD1 3.81Å; W47-F50 HydrophobicContact CE3-CD1 3.81Å; W47-F50 HydrophobicContact CE3-CG 4.38Å; W47-F50 AromaticContact CZ3-CD1 3.67Å; W47-F50 HydrophobicContact CZ3-CD1 3.67Å; W47-F50 AromaticContact CZ3-CE1 3.94Å; W47-F50 HydrophobicContact CZ3-CE1 3.94Å; W47-F50 HydrophobicContact CZ3-CG 4.4Å; W47-F50 PolarHBondContact O-N 2.99Å; W47-L51 WeakPolarHBondContact O-CB 3.36Å; W47-L51 WeakPolarHBondContact O-CD1 3.09Å; W47-L51 WeakPolarHBondContact O-CG 3.35Å; W47-L51 PolarHBondContact O-N 2.98Å; W47-H62 AromaticContact CD2-CD2 3.62Å; W47-H62 HydrophobicContact CE3-CB 4.2Å; W47-H62 AromaticContact CE3-CD2 3.53Å; W47-H62 AromaticContact CG-CD2 3.95Å; W47-H62 HydrophobicContact CZ3-CB 4.14Å; W47-Y65 AromaticContact CD1-CE1 4Å; W47-Y65 HydrophobicContact CD2-CD1 4.49Å; W47-Y65 AromaticContact CE2-CD1 3.66Å; W47-Y65 AromaticContact CE2-CE1 3.69Å; W47-Y65 AromaticContact CE2-CG 3.98Å; W47-Y65 HydrophobicContact CH2-CD1 4.4Å; W47-Y65 HydrophobicContact CH2-CD2 4.43Å; W47-Y65 HydrophobicContact CH2-CG 4.04Å; W47-Y65 AromaticContact CZ2-CD1 3.62Å; W47-Y65 HydrophobicContact CZ2-CD1 3.62Å; W47-Y65 AromaticContact CZ2-CD2 3.61Å; W47-Y65 HydrophobicContact CZ2-CD2 3.61Å; W47-Y65 AromaticContact CZ2-CE1 3.97Å; W47-Y65 HydrophobicContact CZ2-CE1 3.97Å; W47-Y65 AromaticContact CZ2-CE2 3.94Å; W47-Y65 HydrophobicContact CZ2-CE2 3.94Å; W47-Y65 AromaticContact CZ2-CG 3.42Å; W47-Y65 HydrophobicContact CZ2-CG 3.42Å; W47-Y65 VanDerWaalsContact CZ2-CG 3.42Å; W47-Y65 AromaticContact NE1-CD1 3.74Å; W47-Y65 AromaticContact NE1-CE1 3.24Å; W47-Y65 AromaticContact NE1-CZ 3.43Å
48A91.9Very high91.3Very high43 Ų4395.5 Ų95.536%0.35550%0.503SS..Hα-helixtrans-59.4-48.2174.700000111.4L40 A44 K45 F46 L51 E52L40-A48 HydrophobicContact CD1-CB 4.04Å; A44-A48 VanDerWaalsContact O-CB 3.31Å; A44-A48 WeakPolarHBondContact O-CB 3.32Å; A44-A48 PolarHBondContact O-N 3.03Å; K45-A48 PolarHBondContact O-N 3.48Å; F46-A48 VanDerWaalsContact C-N 3.35Å; F46-A48 PolarHBondContact O-N 2.98Å; A48-L51 PolarHBondContact O-N 3.46Å; A48-E52 PolarHBondContact O-N 3.29Å
49G92.9Very high91.5Very high40 Ų4090.3 Ų90.341%0.41248%0.484SS..Hα-helixtrans-68.3-38.8176.400000113.4K45 F46 L51 E52K45-G49 PolarHBondContact O-N 3.12Å; F46-G49 PolarHBondContact O-N 3.28Å; G49-L51 PolarHBondContact O-N 2.89Å; G49-E52 PolarHBondContact O-N 3.33Å; G49-E52 VanDerWaalsContact O-N 3.12Å
50F92Very high91.9Very high57 Ų5792.2 Ų92.225%0.2548%0.478CS..Hα-helixtrans-62.6-30.5175.4179.7-99.3000112.1F46 W47 E52 R58F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.42Å; W47-F50 HydrophobicContact CE3-CB 4.41Å; W47-F50 AromaticContact CE3-CD1 3.81Å; W47-F50 HydrophobicContact CE3-CD1 3.81Å; W47-F50 HydrophobicContact CE3-CG 4.38Å; W47-F50 AromaticContact CZ3-CD1 3.67Å; W47-F50 HydrophobicContact CZ3-CD1 3.67Å; W47-F50 AromaticContact CZ3-CE1 3.94Å; W47-F50 HydrophobicContact CZ3-CE1 3.94Å; W47-F50 HydrophobicContact CZ3-CG 4.4Å; W47-F50 PolarHBondContact O-N 2.99Å; F50-E52 VanDerWaalsContact C-N 3.29Å; F50-R58 HydrophobicContact CD1-CB 4.35Å; F50-R58 HydrophobicContact CD1-CG 4.44Å; F50-R58 HydrophobicContact CE1-CB 3.79Å; F50-R58 HydrophobicContact CE1-CG 3.78Å; F50-R58 HydrophobicContact CE2-CG 4.4Å; F50-R58 HydrophobicContact CZ-CB 4.28Å; F50-R58 HydrophobicContact CZ-CG 3.77Å; F50-R58 VanDerWaalsContact O-CD 3.32Å; F50-R58 WeakPolarHBondContact O-CD 3.44Å; F50-R58 PolarHBondContact O-NH1 3.23Å
51L93.6Very high92.1Very high35 Ų3589.7 Ų89.718%0.18347%0.467CS..THydrogen-bonded Turntrans-83.1-4.6178.4-69.1169.8000113.8W47 A48 G49 P53 K54 R58 L59 H62W47-L51 WeakPolarHBondContact O-CB 3.36Å; W47-L51 WeakPolarHBondContact O-CD1 3.09Å; W47-L51 WeakPolarHBondContact O-CG 3.35Å; W47-L51 PolarHBondContact O-N 2.98Å; A48-L51 PolarHBondContact O-N 3.46Å; G49-L51 PolarHBondContact O-N 2.89Å; L51-P53 CarbonylContact O-C 3.03Å; L51-K54 PolarHBondContact O-N 2.74Å; L51-R58 HydrophobicContact CD2-CB 4.49Å; L51-L59 HydrophobicContact CD2-CD2 4.05Å; L51-H62 HydrophobicContact CD2-CB 3.91Å
52E87.4Confident92.1Very high162 Ų16289.2 Ų89.276%0.75745%0.454SS*.SBendtrans-108.382-179.2-158.3170.7-140.100107A48 G49 F50A48-E52 PolarHBondContact O-N 3.29Å; G49-E52 PolarHBondContact O-N 3.33Å; G49-E52 VanDerWaalsContact O-N 3.12Å; F50-E52 VanDerWaalsContact C-N 3.29Å
53P85.3Confident92.3Very high82 Ų8290.8 Ų90.853%0.53245%0.449SS..SBendcis-102.3151.538.336.8-35.6000115.7L51 S55 R58L51-P53 CarbonylContact O-C 3.03Å; P53-S55 PolarHBondContact O-N 2.81Å; P53-R58 WeakPolarHBondContact O-CD 3.43Å
54K85.1Confident92.5Very high182 Ų18292 Ų9279%0.79146%0.456SS*.  trans-75.657.7-175-63.1-179.9-178.8174.60113.7L51L51-K54 PolarHBondContact O-N 2.74Å
55S93.5Very high92.7Very high46 Ų4694.3 Ų94.332%0.32246%0.457SS..  trans-73.7148.917380.30000111.4P53 W57 R58 L59P53-S55 PolarHBondContact O-N 2.81Å; S55-W57 VanDerWaalsContact C-N 3.31Å; S55-W57 PolarHBondContact O-N 3.25Å; S55-R58 PolarHBondContact O-N 2.67Å; S55-R58 VanDerWaalsContact OG-CD 3.3Å; S55-R58 WeakPolarHBondContact OG-CD 3.45Å; S55-R58 VanDerWaalsContact OG-CG 3.25Å; S55-R58 WeakPolarHBondContact OG-CG 3.26Å; S55-R58 PolarHBondContact OG-N 3.4Å; S55-L59 WeakPolarHBondContact O-CG 3.34Å; S55-L59 PolarHBondContact O-N 2.98Å; S55-L59 VanDerWaalsContact O-N 3.16Å
56L92.9Very high92.8Very high128 Ų12894.5 Ų94.567%0.6746%0.457SS*.Hα-helixtrans-58.5-43.8-179.5-66.2176.8000111.7R58 L59 Y60L56-R58 PolarHBondContact O-N 3.45Å; L56-L59 PolarHBondContact O-N 3.48Å; L56-Y60 HydrophobicContact CB-CD2 4.48Å; L56-Y60 HydrophobicContact CB-CE2 4.44Å; L56-Y60 WeakPolarHBondContact O-CD2 3.38Å; L56-Y60 PolarHBondContact O-N 3.44Å
57W93.5Very high92.9Very high193 Ų19390.3 Ų90.373%0.73145%0.449SS*.Hα-helixtrans-54.8-50.8176.6169.7-111.4000112.2S55 L59 Y60 T61S55-W57 VanDerWaalsContact C-N 3.31Å; S55-W57 PolarHBondContact O-N 3.25Å; W57-L59 VanDerWaalsContact C-N 3.29Å; W57-L59 PolarHBondContact O-N 2.84Å; W57-Y60 PolarHBondContact O-N 3.39Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; W57-T61 PolarHBondContact O-N 2.97Å; W57-T61 PolarHBondContact O-OG1 3.42Å
58R92.1Very high93Very high77 Ų7790.3 Ų90.329%0.29146%0.461SS..Hα-helixtrans-61.8-38.8-178.3-70.5169.6176.5-124.46.2111.8F50 L51 P53 S55 L56 H62F50-R58 HydrophobicContact CD1-CB 4.35Å; F50-R58 HydrophobicContact CD1-CG 4.44Å; F50-R58 HydrophobicContact CE1-CB 3.79Å; F50-R58 HydrophobicContact CE1-CG 3.78Å; F50-R58 HydrophobicContact CE2-CG 4.4Å; F50-R58 HydrophobicContact CZ-CB 4.28Å; F50-R58 HydrophobicContact CZ-CG 3.77Å; F50-R58 VanDerWaalsContact O-CD 3.32Å; F50-R58 WeakPolarHBondContact O-CD 3.44Å; F50-R58 PolarHBondContact O-NH1 3.23Å; L51-R58 HydrophobicContact CD2-CB 4.49Å; P53-R58 WeakPolarHBondContact O-CD 3.43Å; S55-R58 PolarHBondContact O-N 2.67Å; S55-R58 VanDerWaalsContact OG-CD 3.3Å; S55-R58 WeakPolarHBondContact OG-CD 3.45Å; S55-R58 VanDerWaalsContact OG-CG 3.25Å; S55-R58 WeakPolarHBondContact OG-CG 3.26Å; S55-R58 PolarHBondContact OG-N 3.4Å; L56-R58 PolarHBondContact O-N 3.45Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.42Å
59L93Very high93.3Very high78 Ų7891 Ų9141%0.40846%0.461SS..Hα-helixtrans-65-44.9175.7-68.5168.7000111.9L51 S55 L56 W57 H62 K63L51-L59 HydrophobicContact CD2-CD2 4.05Å; S55-L59 WeakPolarHBondContact O-CG 3.34Å; S55-L59 PolarHBondContact O-N 2.98Å; S55-L59 VanDerWaalsContact O-N 3.16Å; L56-L59 PolarHBondContact O-N 3.48Å; W57-L59 VanDerWaalsContact C-N 3.29Å; W57-L59 PolarHBondContact O-N 2.84Å; L59-H62 PolarHBondContact O-N 3.03Å; L59-K63 WeakPolarHBondContact O-CB 3.45Å; L59-K63 PolarHBondContact O-N 3.41Å
60Y95.1Very high93.5Very high145 Ų14594.8 Ų94.857%0.56947%0.466SS*.Hα-helixtrans-64.5-43.6176.7-79.3-66.6000111.9L56 W57 H62 K63 V64L56-Y60 HydrophobicContact CB-CD2 4.48Å; L56-Y60 HydrophobicContact CB-CE2 4.44Å; L56-Y60 WeakPolarHBondContact O-CD2 3.38Å; L56-Y60 PolarHBondContact O-N 3.44Å; W57-Y60 PolarHBondContact O-N 3.39Å; W57-Y60 VanDerWaalsContact O-N 3.16Å; Y60-H62 VanDerWaalsContact C-N 3.34Å; Y60-H62 PolarHBondContact O-N 2.95Å; Y60-K63 WeakPolarHBondContact O-CB 3.32Å; Y60-K63 PolarHBondContact O-N 2.96Å; Y60-K63 VanDerWaalsContact O-N 3.16Å; Y60-V64 WeakPolarHBondContact O-CG2 3.49Å; Y60-V64 PolarHBondContact O-N 2.89Å
61T94.6Very high93.7Very high42 Ų4295 Ų9526%0.25847%0.473SS..Hα-helixtrans-57.9-47.3175.4-50.70000111.4W57 K63 V64 Y65W57-T61 PolarHBondContact O-N 2.97Å; W57-T61 PolarHBondContact O-OG1 3.42Å; T61-K63 VanDerWaalsContact C-N 3.31Å; T61-K63 PolarHBondContact O-N 3.37Å; T61-V64 PolarHBondContact O-N 2.93Å; T61-Y65 PolarHBondContact O-N 3.45Å
62H94.1Very high93.9Very high29 Ų2997.1 Ų97.113%0.13448%0.484CS..Hα-helixtrans-65.8-33.5178.4178.1-121.6000112.5W47 L51 R58 L59 Y60 Y65 K66W47-H62 AromaticContact CD2-CD2 3.62Å; W47-H62 HydrophobicContact CE3-CB 4.2Å; W47-H62 AromaticContact CE3-CD2 3.53Å; W47-H62 AromaticContact CG-CD2 3.95Å; W47-H62 HydrophobicContact CZ3-CB 4.14Å; L51-H62 HydrophobicContact CD2-CB 3.91Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.42Å; L59-H62 PolarHBondContact O-N 3.03Å; Y60-H62 VanDerWaalsContact C-N 3.34Å; Y60-H62 PolarHBondContact O-N 2.95Å; H62-Y65 PolarHBondContact O-N 3.29Å; H62-K66 WeakPolarHBondContact CE1-CE 3.27Å; H62-K66 WeakPolarHBondContact NE2-CE 3.4Å; H62-K66 PolarHBondContact O-N 3.16Å
63K95Very high94.4Very high149 Ų14992.5 Ų92.565%0.64847%0.467SS*.Hα-helixtrans-64.5-44.9174.1-171.7177.3-179.2-1790111.5L59 Y60 T61 K66 G67L59-K63 WeakPolarHBondContact O-CB 3.45Å; L59-K63 PolarHBondContact O-N 3.41Å; Y60-K63 WeakPolarHBondContact O-CB 3.32Å; Y60-K63 PolarHBondContact O-N 2.96Å; Y60-K63 VanDerWaalsContact O-N 3.16Å; T61-K63 VanDerWaalsContact C-N 3.31Å; T61-K63 PolarHBondContact O-N 3.37Å; K63-K66 PolarHBondContact O-N 3.33Å; K63-G67 PolarHBondContact O-N 3.25Å
64V96.9Very high94.9Very high111 Ų11196.9 Ų96.967%0.67347%0.473SS*.Hα-helixtrans-62.3-45.3175.4174.10000110.6Y60 T61 K66 G67 G68Y60-V64 WeakPolarHBondContact O-CG2 3.49Å; Y60-V64 PolarHBondContact O-N 2.89Å; T61-V64 PolarHBondContact O-N 2.93Å; V64-K66 PolarHBondContact O-N 3.42Å; V64-G67 PolarHBondContact O-N 3.11Å; V64-G68 PolarHBondContact O-N 2.83Å
65Y95.6Very high95.4Very high94 Ų9492.9 Ų92.937%0.36946%0.459SS..Hα-helixtrans-55.9-49.9175167.9-98.5000112W47 T61 H62 G67 G68 V69W47-Y65 AromaticContact CD1-CE1 4Å; W47-Y65 HydrophobicContact CD2-CD1 4.49Å; W47-Y65 AromaticContact CE2-CD1 3.66Å; W47-Y65 AromaticContact CE2-CE1 3.69Å; W47-Y65 AromaticContact CE2-CG 3.98Å; W47-Y65 HydrophobicContact CH2-CD1 4.4Å; W47-Y65 HydrophobicContact CH2-CD2 4.43Å; W47-Y65 HydrophobicContact CH2-CG 4.04Å; W47-Y65 AromaticContact CZ2-CD1 3.62Å; W47-Y65 HydrophobicContact CZ2-CD1 3.62Å; W47-Y65 AromaticContact CZ2-CD2 3.61Å; W47-Y65 HydrophobicContact CZ2-CD2 3.61Å; W47-Y65 AromaticContact CZ2-CE1 3.97Å; W47-Y65 HydrophobicContact CZ2-CE1 3.97Å; W47-Y65 AromaticContact CZ2-CE2 3.94Å; W47-Y65 HydrophobicContact CZ2-CE2 3.94Å; W47-Y65 AromaticContact CZ2-CG 3.42Å; W47-Y65 HydrophobicContact CZ2-CG 3.42Å; W47-Y65 VanDerWaalsContact CZ2-CG 3.42Å; W47-Y65 AromaticContact NE1-CD1 3.74Å; W47-Y65 AromaticContact NE1-CE1 3.24Å; W47-Y65 AromaticContact NE1-CZ 3.43Å; T61-Y65 PolarHBondContact O-N 3.45Å; H62-Y65 PolarHBondContact O-N 3.29Å; Y65-G67 VanDerWaalsContact C-N 3.31Å; Y65-G67 PolarHBondContact O-N 3.39Å; Y65-G68 PolarHBondContact O-N 2.99Å; Y65-G68 VanDerWaalsContact O-N 3.16Å; Y65-V69 HydrophobicContact CD1-CG2 4.44Å; Y65-V69 HydrophobicContact CD2-CG2 4.2Å; Y65-V69 HydrophobicContact CE1-CG2 3.97Å; Y65-V69 HydrophobicContact CE2-CG2 3.71Å; Y65-V69 WeakPolarHBondContact O-CG2 3.45Å; Y65-V69 PolarHBondContact O-N 3.41Å
66K95.7Very high95.7Very high128 Ų12894.4 Ų94.456%0.55746%0.463SS*.Hα-helixtrans-60.3-41.5177.3-80.7-172165.8-178.60112.2H62 K63 V64 V69 F70H62-K66 WeakPolarHBondContact CE1-CE 3.27Å; H62-K66 WeakPolarHBondContact NE2-CE 3.4Å; H62-K66 PolarHBondContact O-N 3.16Å; K63-K66 PolarHBondContact O-N 3.33Å; V64-K66 PolarHBondContact O-N 3.42Å; K66-V69 PolarHBondContact O-N 3.43Å; K66-F70 WeakPolarHBondContact O-CB 3.36Å; K66-F70 PolarHBondContact O-N 3.39Å
67G96.9Very high95.9Very high37 Ų3791.8 Ų91.838%0.38145%0.449SS..Hα-helixtrans-58.2-47.6173.300000111.8K63 V64 Y65 F70 T71K63-G67 PolarHBondContact O-N 3.25Å; V64-G67 PolarHBondContact O-N 3.11Å; Y65-G67 VanDerWaalsContact C-N 3.31Å; Y65-G67 PolarHBondContact O-N 3.39Å; G67-F70 WeakPolarHBondContact O-CB 3.4Å; G67-F70 PolarHBondContact O-N 2.88Å; G67-T71 WeakPolarHBondContact O-CG2 3.27Å; G67-T71 PolarHBondContact O-N 3.24Å; G67-T71 PolarHBondContact O-OG1 3.36Å
68G97.1Very high96.1Very high38 Ų3885.4 Ų85.439%0.39243%0.433SS..Hα-helixtrans-64-42178.400000113.7V64 Y65 F70 T71 L72V64-G68 PolarHBondContact O-N 2.83Å; Y65-G68 PolarHBondContact O-N 2.99Å; Y65-G68 VanDerWaalsContact O-N 3.16Å; G68-F70 VanDerWaalsContact C-N 3.3Å; G68-F70 PolarHBondContact O-N 3.2Å; G68-T71 WeakPolarHBondContact CA-OG1 3.3Å; G68-T71 PolarHBondContact O-N 2.92Å; G68-T71 PolarHBondContact O-OG1 2.85Å; G68-L72 WeakPolarHBondContact O-CB 3.25Å; G68-L72 PolarHBondContact O-N 3.36Å
69V96.6Very high96.4Very high59 Ų5984.4 Ų84.436%0.35844%0.441SS..Hα-helixtrans-62.9-40.9174.2173.50000110.6Y65 K66 T73Y65-V69 HydrophobicContact CD1-CG2 4.44Å; Y65-V69 HydrophobicContact CD2-CG2 4.2Å; Y65-V69 HydrophobicContact CE1-CG2 3.97Å; Y65-V69 HydrophobicContact CE2-CG2 3.71Å; Y65-V69 WeakPolarHBondContact O-CG2 3.45Å; Y65-V69 PolarHBondContact O-N 3.41Å; K66-V69 PolarHBondContact O-N 3.43Å; V69-T73 HydrophobicContact CG1-CG2 4.25Å; V69-T73 WeakPolarHBondContact O-CB 3.31Å; V69-T73 VanDerWaalsContact O-CG2 3.32Å; V69-T73 WeakPolarHBondContact O-CG2 3.4Å; V69-T73 PolarHBondContact O-N 3.42Å; V69-T73 PolarHBondContact O-OG1 3.44Å
70F97.1Very high96.6Very high118 Ų11888.6 Ų88.652%0.51845%0.451SS..Hα-helixtrans-63.7-49176.8178.2-90.8000111.9K66 G67 G68 L72 T73 R74K66-F70 WeakPolarHBondContact O-CB 3.36Å; K66-F70 PolarHBondContact O-N 3.39Å; G67-F70 WeakPolarHBondContact O-CB 3.4Å; G67-F70 PolarHBondContact O-N 2.88Å; G68-F70 VanDerWaalsContact C-N 3.3Å; G68-F70 PolarHBondContact O-N 3.2Å; F70-L72 VanDerWaalsContact C-N 3.32Å; F70-L72 PolarHBondContact O-N 3.49Å; F70-T73 PolarHBondContact O-N 2.84Å; F70-R74 HydrophobicContact CD2-CB 4.22Å; F70-R74 HydrophobicContact CD2-CG 3.72Å; F70-R74 HydrophobicContact CE1-CB 4.35Å; F70-R74 HydrophobicContact CE2-CB 3.97Å; F70-R74 HydrophobicContact CE2-CG 3.65Å; F70-R74 HydrophobicContact CG-CG 4.38Å; F70-R74 HydrophobicContact CZ-CB 4.04Å; F70-R74 HydrophobicContact CZ-CG 4.23Å; F70-R74 VanDerWaalsContact O-CB 3.27Å; F70-R74 WeakPolarHBondContact O-CB 3.44Å; F70-R74 PolarHBondContact O-N 2.85Å
71T97.8Very high96.8Very high63 Ų6387.2 Ų87.239%0.38745%0.453SS..Iπ-helixtrans-61.2-42.1179.754.60000111.4G67 G68 L75 L76G67-T71 WeakPolarHBondContact O-CG2 3.27Å; G67-T71 PolarHBondContact O-N 3.24Å; G67-T71 PolarHBondContact O-OG1 3.36Å; G68-T71 WeakPolarHBondContact CA-OG1 3.3Å; G68-T71 PolarHBondContact O-N 2.92Å; G68-T71 PolarHBondContact O-OG1 2.85Å; T71-L75 HydrophobicContact CG2-CD1 4.26Å; T71-L75 WeakPolarHBondContact O-CA 3.39Å; T71-L75 VanDerWaalsContact O-CB 3.26Å; T71-L75 WeakPolarHBondContact O-CB 3.41Å; T71-L75 PolarHBondContact O-N 3.45Å; T71-L76 PolarHBondContact O-N 3.29Å
72L97.6Very high96.9Very high79 Ų7987.8 Ų87.841%0.41446%0.462SS..Iπ-helixtrans-63.6-52.4177.3-177.264.9000112.1G68 F70 L76 I77G68-L72 WeakPolarHBondContact O-CB 3.25Å; G68-L72 PolarHBondContact O-N 3.36Å; F70-L72 VanDerWaalsContact C-N 3.32Å; F70-L72 PolarHBondContact O-N 3.49Å; L72-L76 HydrophobicContact CD1-CB 4.25Å; L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 PolarHBondContact O-N 2.97Å; L72-I77 HydrophobicContact CG-CD1 4.28Å; L72-I77 WeakPolarHBondContact O-CG1 3.29Å; L72-I77 PolarHBondContact O-N 3.3Å
73T97.4Very high97.1Very high65 Ų6592.2 Ų92.240%0.39948%0.482SS..Iπ-helixtrans-77.8-33-171.556.80000113.9V69 F70 P78V69-T73 HydrophobicContact CG1-CG2 4.25Å; V69-T73 WeakPolarHBondContact O-CB 3.31Å; V69-T73 VanDerWaalsContact O-CG2 3.32Å; V69-T73 WeakPolarHBondContact O-CG2 3.4Å; V69-T73 PolarHBondContact O-N 3.42Å; V69-T73 PolarHBondContact O-OG1 3.44Å; F70-T73 PolarHBondContact O-N 2.84Å; T73-P78 WeakPolarHBondContact O-CD 3.26Å
74R95.9Very high97.2Very high174 Ų17491.3 Ų91.366%0.65748%0.476SS*.Iπ-helixtrans-103.5-18.8-174.1-61-60.6-170.4131.2-1.2113.9F70F70-R74 HydrophobicContact CD2-CB 4.22Å; F70-R74 HydrophobicContact CD2-CG 3.72Å; F70-R74 HydrophobicContact CE1-CB 4.35Å; F70-R74 HydrophobicContact CE2-CB 3.97Å; F70-R74 HydrophobicContact CE2-CG 3.65Å; F70-R74 HydrophobicContact CG-CG 4.38Å; F70-R74 HydrophobicContact CZ-CB 4.04Å; F70-R74 HydrophobicContact CZ-CG 4.23Å; F70-R74 VanDerWaalsContact O-CB 3.27Å; F70-R74 WeakPolarHBondContact O-CB 3.44Å; F70-R74 PolarHBondContact O-N 2.85Å
75L96.2Very high97.1Very high97 Ų9792.4 Ų92.451%0.50847%0.469SS..Iπ-helixtrans-116.4-60.7-179.6-53.4175.4000111.3T71 P78 A79T71-L75 HydrophobicContact CG2-CD1 4.26Å; T71-L75 WeakPolarHBondContact O-CA 3.39Å; T71-L75 VanDerWaalsContact O-CB 3.26Å; T71-L75 WeakPolarHBondContact O-CB 3.41Å; T71-L75 PolarHBondContact O-N 3.45Å; L75-P78 WeakPolarHBondContact O-CD 3.27Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.42Å
76L98.1Very high97.2Very high79 Ų7991.1 Ų91.141%0.41447%0.471SS..Iπ-helixtrans-66.5-51.9-170.5-66.2178.9000112.8T71 L72 A79 W80T71-L76 PolarHBondContact O-N 3.29Å; L72-L76 HydrophobicContact CD1-CB 4.25Å; L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 PolarHBondContact O-N 2.97Å; L76-A79 PolarHBondContact O-N 3.48Å; L76-W80 PolarHBondContact O-N 3.01Å
77I97.6Very high97.1Very high73 Ų7390.2 Ų90.237%0.37447%0.467SS..Hα-helixtrans-60.4-50.6-179.6-69.8165.7000111.2L72 A79 W80 L81L72-I77 HydrophobicContact CG-CD1 4.28Å; L72-I77 WeakPolarHBondContact O-CG1 3.29Å; L72-I77 PolarHBondContact O-N 3.3Å; I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 2.88Å; I77-W80 PolarHBondContact O-N 3.28Å; I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 2.95Å
78P98.1Very high97.1Very high59 Ų5992.9 Ų92.938%0.38347%0.466SS..Hα-helixtrans-60.4-40.8175.7-26.236.7000113.2T73 L75 W80 L81 A82T73-P78 WeakPolarHBondContact O-CD 3.26Å; L75-P78 WeakPolarHBondContact O-CD 3.27Å; P78-W80 PolarHBondContact O-N 3.48Å; P78-L81 PolarHBondContact O-N 3.07Å; P78-A82 WeakPolarHBondContact O-CB 3.41Å; P78-A82 PolarHBondContact O-N 3.01Å
79A98.1Very high96.9Very high55 Ų5595 Ų9546%0.45547%0.465SS..Hα-helixtrans-63.3-41.217800000111.9L75 L76 I77 A82 H83L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.42Å; L76-A79 PolarHBondContact O-N 3.48Å; I77-A79 VanDerWaalsContact C-N 3.34Å; I77-A79 PolarHBondContact O-N 2.88Å; A79-A82 PolarHBondContact O-N 2.92Å; A79-H83 VanDerWaalsContact O-CB 3.27Å; A79-H83 WeakPolarHBondContact O-CB 3.43Å; A79-H83 PolarHBondContact O-N 3.34Å
80W98.2Very high96.6Very high167 Ų16793 Ų9363%0.63346%0.456SS*.Hα-helixtrans-65.1-41.1174.3-74.4-19.6000112.6L76 I77 P78 H83 Y84L76-W80 PolarHBondContact O-N 3.01Å; I77-W80 PolarHBondContact O-N 3.28Å; P78-W80 PolarHBondContact O-N 3.48Å; W80-H83 PolarHBondContact O-N 3.43Å; W80-Y84 VanDerWaalsContact O-CB 3.29Å; W80-Y84 WeakPolarHBondContact O-CB 3.44Å; W80-Y84 PolarHBondContact O-N 2.89Å
81L97.9Very high96.3Very high115 Ų11590.3 Ų90.360%0.60246%0.455SS*.Hα-helixtrans-63.7-44.5175.4-69.8174.6000111.5I77 P78 Y84 Y85I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 WeakPolarHBondContact O-CG 3.44Å; I77-L81 PolarHBondContact O-N 2.95Å; P78-L81 PolarHBondContact O-N 3.07Å; L81-Y84 PolarHBondContact O-N 3.16Å; L81-Y85 WeakPolarHBondContact O-CB 3.43Å; L81-Y85 PolarHBondContact O-N 3.4Å
82A97.4Very high96Very high54 Ų5494.2 Ų94.245%0.44647%0.469SS..Hα-helixtrans-62.2-46.1175.800000111.1P78 A79 Y84 Y85 V86P78-A82 WeakPolarHBondContact O-CB 3.41Å; P78-A82 PolarHBondContact O-N 3.01Å; A79-A82 PolarHBondContact O-N 2.92Å; A82-Y84 VanDerWaalsContact C-N 3.35Å; A82-Y84 PolarHBondContact O-N 2.84Å; A82-Y85 PolarHBondContact O-N 3.19Å; A82-V86 VanDerWaalsContact O-CG2 3.28Å; A82-V86 WeakPolarHBondContact O-CG2 3.12Å; A82-V86 PolarHBondContact O-N 3.16Å
83H97.3Very high95.7Very high122 Ų12298.6 Ų98.657%0.56548%0.48SS*.Hα-helixtrans-60.7-43.6176.7-178.670.5000111.9A79 W80 Y85 V86 K87A79-H83 VanDerWaalsContact O-CB 3.27Å; A79-H83 WeakPolarHBondContact O-CB 3.43Å; A79-H83 PolarHBondContact O-N 3.34Å; W80-H83 PolarHBondContact O-N 3.43Å; H83-Y85 PolarHBondContact O-N 2.92Å; H83-V86 PolarHBondContact O-N 2.9Å; H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.46Å; H83-K87 PolarHBondContact O-N 2.94Å
84Y97.6Very high95.4Very high131 Ų131101.1 Ų101.151%0.51450%0.497SS..Hα-helixtrans-60.3-45.2175.5177.8-92.7000111.7W80 L81 A82 K87 Y88W80-Y84 VanDerWaalsContact O-CB 3.29Å; W80-Y84 WeakPolarHBondContact O-CB 3.44Å; W80-Y84 PolarHBondContact O-N 2.89Å; L81-Y84 PolarHBondContact O-N 3.16Å; A82-Y84 VanDerWaalsContact C-N 3.35Å; A82-Y84 PolarHBondContact O-N 2.84Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y84-Y88 AromaticContact CD2-CD2 3.42Å; Y84-Y88 HydrophobicContact CD2-CD2 3.42Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.42Å; Y84-Y88 AromaticContact CD2-CE2 3.55Å; Y84-Y88 HydrophobicContact CD2-CE2 3.55Å; Y84-Y88 HydrophobicContact CE1-CD2 4.43Å; Y84-Y88 AromaticContact CE2-CD2 3.28Å; Y84-Y88 HydrophobicContact CE2-CD2 3.28Å; Y84-Y88 AromaticContact CE2-CE2 3.46Å; Y84-Y88 HydrophobicContact CE2-CE2 3.46Å; Y84-Y88 VanDerWaalsContact CE2-CE2 3.46Å; Y84-Y88 HydrophobicContact CE2-CG 4.27Å; Y84-Y88 HydrophobicContact CG-CD2 4.06Å; Y84-Y88 AromaticContact CZ-CD2 3.83Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.5Å; Y84-Y88 PolarHBondContact O-N 3.16Å
85Y96.1Very high95.1Very high133 Ų133102.8 Ų102.852%0.52251%0.505SS..Hα-helixtrans-61.6-48.1176.8178-96.6000111.6L81 A82 H83 K87 H89 A90L81-Y85 WeakPolarHBondContact O-CB 3.43Å; L81-Y85 PolarHBondContact O-N 3.4Å; A82-Y85 PolarHBondContact O-N 3.19Å; H83-Y85 PolarHBondContact O-N 2.92Å; Y85-K87 VanDerWaalsContact C-N 3.32Å; Y85-K87 PolarHBondContact O-N 3.27Å; Y85-H89 HydrophobicContact CD2-CB 3.8Å; Y85-H89 AromaticContact CD2-CG 3.83Å; Y85-H89 HydrophobicContact CE2-CB 3.68Å; Y85-H89 AromaticContact CE2-CG 3.97Å; Y85-H89 HydrophobicContact CG-CB 4.38Å; Y85-H89 WeakPolarHBondContact O-CA 3.43Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.42Å; Y85-H89 PolarHBondContact O-N 3.37Å; Y85-A90 PolarHBondContact O-N 2.97Å
86V96.2Very high94.6Very high67 Ų67100 Ų10041%0.40650%0.5SS..Iπ-helixtrans-58.5-46.8177.8171.70000110.5A82 H83 A90 A91 I97A82-V86 VanDerWaalsContact O-CG2 3.28Å; A82-V86 WeakPolarHBondContact O-CG2 3.12Å; A82-V86 PolarHBondContact O-N 3.16Å; H83-V86 PolarHBondContact O-N 2.9Å; V86-A90 PolarHBondContact O-N 2.94Å; V86-A91 WeakPolarHBondContact O-CB 3.46Å; V86-A91 PolarHBondContact O-N 3.34Å; V86-I97 HydrophobicContact CG1-CD1 3.54Å
87K95.1Very high94.2Very high109 Ų109100.6 Ų100.647%0.47450%0.503SS..Iπ-helixtrans-63.9-45.9-177.6-176.8174.2-180178.70113.4H83 Y84 Y85H83-K87 VanDerWaalsContact O-CB 3.26Å; H83-K87 WeakPolarHBondContact O-CB 3.46Å; H83-K87 PolarHBondContact O-N 2.94Å; Y84-K87 PolarHBondContact O-N 2.98Å; Y85-K87 VanDerWaalsContact C-N 3.32Å; Y85-K87 PolarHBondContact O-N 3.27Å
88Y95.4Very high93.9Very high93 Ų93102.4 Ų102.437%0.36552%0.517SS..Iπ-helixtrans-104.7-14.1-170.4-65.5-70.8000114.8Y84 Q92Y84-Y88 AromaticContact CD2-CD2 3.42Å; Y84-Y88 HydrophobicContact CD2-CD2 3.42Å; Y84-Y88 VanDerWaalsContact CD2-CD2 3.42Å; Y84-Y88 AromaticContact CD2-CE2 3.55Å; Y84-Y88 HydrophobicContact CD2-CE2 3.55Å; Y84-Y88 HydrophobicContact CE1-CD2 4.43Å; Y84-Y88 AromaticContact CE2-CD2 3.28Å; Y84-Y88 HydrophobicContact CE2-CD2 3.28Å; Y84-Y88 AromaticContact CE2-CE2 3.46Å; Y84-Y88 HydrophobicContact CE2-CE2 3.46Å; Y84-Y88 VanDerWaalsContact CE2-CE2 3.46Å; Y84-Y88 HydrophobicContact CE2-CG 4.27Å; Y84-Y88 HydrophobicContact CG-CD2 4.06Å; Y84-Y88 AromaticContact CZ-CD2 3.83Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.5Å; Y84-Y88 PolarHBondContact O-N 3.16Å; Y88-Q92 VanDerWaalsContact O-CG 3.31Å; Y88-Q92 WeakPolarHBondContact O-CG 3.37Å; Y88-Q92 PolarHBondContact O-OE1 3.44Å; Y88-Q92 VanDerWaalsContact O-OE1 3.11Å
89H92.6Very high93.6Very high82 Ų82107.8 Ų107.838%0.3854%0.537SS..Iπ-helixtrans-117.6-49.2-177.9-60.572.3000111.9Y85 R93Y85-H89 HydrophobicContact CD2-CB 3.8Å; Y85-H89 AromaticContact CD2-CG 3.83Å; Y85-H89 HydrophobicContact CE2-CB 3.68Å; Y85-H89 AromaticContact CE2-CG 3.97Å; Y85-H89 HydrophobicContact CG-CB 4.38Å; Y85-H89 WeakPolarHBondContact O-CA 3.43Å; Y85-H89 VanDerWaalsContact O-CB 3.26Å; Y85-H89 WeakPolarHBondContact O-CB 3.42Å; Y85-H89 PolarHBondContact O-N 3.37Å; H89-R93 WeakPolarHBondContact O-CG 3.1Å
90A90.9Very high93.4Very high19 Ų19112.9 Ų112.916%0.15756%0.556CS.*Iπ-helixtrans-74.1-49.2-178.100000111.7Y85 V86 Q92 R93 G96 I97Y85-A90 PolarHBondContact O-N 2.97Å; V86-A90 PolarHBondContact O-N 2.94Å; A90-Q92 VanDerWaalsContact C-N 3.32Å; A90-Q92 PolarHBondContact O-N 3.28Å; A90-R93 PolarHBondContact O-N 2.93Å; A90-G96 WeakPolarHBondContact O-CA 3.28Å; A90-I97 HydrophobicContact CB-CD1 4.02Å; A90-I97 HydrophobicContact CB-CG1 3.91Å
91A91Very high93.1Very high60 Ų60114.1 Ų114.150%0.49657%0.566SS.*THydrogen-bonded Turntrans-69.9-25.4-177.500000114V86 R93 I97V86-A91 WeakPolarHBondContact O-CB 3.46Å; V86-A91 PolarHBondContact O-N 3.34Å; A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.42Å; A91-I97 HydrophobicContact CB-CD1 3.95Å
92Q92.3Very high92.8Very high146 Ų146113.9 Ų113.968%0.68257%0.571SS**THydrogen-bonded Turntrans-72.9-19.2177.1-71-167.7-2.900113.1Y88 A90Y88-Q92 VanDerWaalsContact O-CG 3.31Å; Y88-Q92 WeakPolarHBondContact O-CG 3.37Å; Y88-Q92 PolarHBondContact O-OE1 3.44Å; Y88-Q92 VanDerWaalsContact O-OE1 3.11Å; A90-Q92 VanDerWaalsContact C-N 3.32Å; A90-Q92 PolarHBondContact O-N 3.28Å
93R90.3Very high92.5Very high171 Ų171119.8 Ų119.865%0.64559%0.586SS**SBendtrans-89.6133.7178.3-66.7179.9-177.9-168.30.6109.4H89 A90 A91 Y95 G96H89-R93 WeakPolarHBondContact O-CG 3.1Å; A90-R93 PolarHBondContact O-N 2.93Å; A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.42Å; R93-Y95 PolarHBondContact O-N 2.87Å; R93-G96 PolarHBondContact O-N 2.92Å
94P91.9Very high92.2Very high118 Ų118118.8 Ų118.877%0.76658%0.584SS**THydrogen-bonded Turntrans-59.6133.117526.5-33.7000109.4G96P94-G96 PolarHBondContact O-N 3.11Å; P94-G96 VanDerWaalsContact O-N 3.11Å
95Y88.6Confident91.9Very high208 Ų208118.6 Ų118.682%0.81659%0.587SS**THydrogen-bonded Turntrans56.916.3-172.7-52.8-72.8000115.5R93 I97 V98R93-Y95 PolarHBondContact O-N 2.87Å; Y95-I97 PolarHBondContact O-N 3.37Å; Y95-V98 HydrophobicContact CD1-CG2 4.03Å
96G85.9Confident91.7Very high40 Ų40115.1 Ų115.141%0.41258%0.581SS.*SBendtrans-67.5-24.6174.800000112.9A90 R93 P94A90-G96 WeakPolarHBondContact O-CA 3.28Å; R93-G96 PolarHBondContact O-N 2.92Å; P94-G96 PolarHBondContact O-N 3.11Å; P94-G96 VanDerWaalsContact O-N 3.11Å
97I88.8Confident91.2Very high91 Ų91114.2 Ų114.247%0.46758%0.584SS.*SBendtrans-135.8125.3168-52.2172.3000106.6V86 A90 A91 Y95V86-I97 HydrophobicContact CG1-CD1 3.54Å; A90-I97 HydrophobicContact CB-CD1 4.02Å; A90-I97 HydrophobicContact CB-CG1 3.91Å; A91-I97 HydrophobicContact CB-CD1 3.95Å; Y95-I97 PolarHBondContact O-N 3.37Å
98V92.5Very high91.1Very high111 Ų111112.2 Ų112.267%0.67358%0.579SS**  trans-120.3112.3175.4-1780000107.5Y95Y95-V98 HydrophobicContact CD1-CG2 4.03Å
99E91.2Very high90.9Very high172 Ų172111.5 Ų111.580%0.80458%0.584SS**PPolyproline II helixtrans-95.2144.5177.9-165.1172.6-178.400110.4
100L93.8Very high90.9Very high161 Ų161109.6 Ų109.684%0.84358%0.577SS**PPolyproline II helixtrans-72.9133169.3-69.5172000108.6
101K92.5Very high90.9Very high194 Ų194117 Ų11784%0.84361%0.613SS**PPolyproline II helixtrans-56.2137.7176.7-66.5-178.8178.8-176.10110.2
102P91.4Very high91Very high109 Ų109123.2 Ų123.271%0.70863%0.631SS**PPolyproline II helixtrans-60.8148.5178.826-33.9000110.5
103K91Very high90.9Very high179 Ų179120.3 Ų120.378%0.77862%0.624SS**PPolyproline II helixtrans-70.7137.4174.1-67.3-178.8-179.2179.60108.9F105K103-F105 HydrophobicContact CB-CE2 4.15Å; K103-F105 HydrophobicContact CB-CZ 4.36Å
104L90.6Very high90.8Very high100 Ų100114.6 Ų114.652%0.52462%0.618SS.*  trans-113.4130.8-178.1-75.2-179000109.1L117L104-L117 HydrophobicContact CB-CD1 3.58Å; L104-L117 HydrophobicContact CD1-CD1 4.29Å; L104-L117 HydrophobicContact CD2-CD1 4.09Å; L104-L117 HydrophobicContact CG-CD1 4.18Å
105F91.8Very high90.7Very high127 Ų127114.8 Ų114.856%0.55761%0.609SS**  trans-116.8152.2178.8-65.3-75.1000112.2K103 G107 D108 L117K103-F105 HydrophobicContact CB-CE2 4.15Å; K103-F105 HydrophobicContact CB-CZ 4.36Å; F105-G107 PolarHBondContact O-N 2.74Å; F105-D108 WeakPolarHBondContact CA-OD2 3.2Å; F105-D108 WeakPolarHBondContact CB-OD2 3.46Å; F105-D108 PolarHBondContact N-OD2 3.28Å; F105-D108 WeakPolarHBondContact O-CB 3.29Å; F105-D108 PolarHBondContact O-N 3.34Å; F105-L117 WeakPolarHBondContact O-CD1 3.47Å
106P91.9Very high90.8Very high61 Ų61109.4 Ų109.440%0.39660%0.598SS.*THydrogen-bonded Turntrans-51.2128.7173.4-2229.1000111.6P118 L120P106-P118 WeakPolarHBondContact CB-O 3.39Å; P106-L120 HydrophobicContact CB-CG 4.36Å; P106-L120 HydrophobicContact CG-CD1 4.1Å; P106-L120 HydrophobicContact CG-CD2 4.06Å; P106-L120 HydrophobicContact CG-CG 3.61Å
107G86.5Confident90.9Very high47 Ų47109.5 Ų109.549%0.48559%0.588SS.*THydrogen-bonded Turntrans90.2-10.9-175.900000115.7F105 L117F105-G107 PolarHBondContact O-N 2.74Å; G107-L117 WeakPolarHBondContact CA-O 3.42Å; G107-L117 PolarHBondContact N-O 3.31Å
108D93Very high90.9Very high67 Ų67110.2 Ų110.236%0.35860%0.599SS.*  trans-68.7150.8173.3-64.1-25.3000110.8F105 V116 L117F105-D108 WeakPolarHBondContact CA-OD2 3.2Å; F105-D108 WeakPolarHBondContact CB-OD2 3.46Å; F105-D108 PolarHBondContact N-OD2 3.28Å; F105-D108 WeakPolarHBondContact O-CB 3.29Å; F105-D108 PolarHBondContact O-N 3.34Å; D108-V116 WeakPolarHBondContact O-CA 3.44Å; D108-L117 HydrophobicContact CB-CD1 4.13Å; D108-L117 PolarHBondContact O-N 3.23Å
109T90.9Very high90.6Very high79 Ų79107.7 Ų107.749%0.48560%0.595SS.*BIsolated β-bridgetrans-107.5123.9174.5-49.40000110L111 E115 V116T109-L111 PolarHBondContact O-N 2.82Å; T109-E115 WeakPolarHBondContact CA-O 3.38Å; T109-V116 HydrophobicContact CG2-CG2 4.27Å
110I91.8Very high90.3Very high42 Ų42106.1 Ų106.122%0.21559%0.592CS.*  trans-72.3115.7176.1-59.7171.9000108E112 T113 G114 E115I110-E112 HydrophobicContact CG2-CB 4.45Å; I110-E112 PolarHBondContact O-N 3.31Å; I110-T113 PolarHBondContact O-N 2.83Å; I110-G114 VanDerWaalsContact O-CA 3.29Å; I110-G114 WeakPolarHBondContact O-CA 3.5Å; I110-G114 PolarHBondContact O-N 3.02Å; I110-E115 PolarHBondContact N-O 2.93Å
111L91.3Very high89.9Confident175 Ų175103.5 Ų103.592%0.91658%0.584SS**THydrogen-bonded Turntrans-61.3-31.2-176.1-67.3176.5000113.7T109T109-L111 PolarHBondContact O-N 2.82Å
112E92Very high89.3Confident190 Ų190102.7 Ų102.789%0.88858%0.583SS**THydrogen-bonded Turntrans-80-34.3-177.7-62.1178.3172.600112.8I110I110-E112 HydrophobicContact CG2-CB 4.45Å; I110-E112 PolarHBondContact O-N 3.31Å
113T90.4Very high88.7Confident84 Ų84103.4 Ų103.452%0.51559%0.586SS.*THydrogen-bonded Turntrans-103.9-21.9-175.4-38.50000112.7I110 E115I110-T113 PolarHBondContact O-N 2.83Å; T113-E115 HydrophobicContact CG2-CB 4.37Å; T113-E115 HydrophobicContact CG2-CG 3.69Å; T113-E115 PolarHBondContact O-N 2.89Å
114G89.3Confident87.9Confident52 Ų52102.5 Ų102.554%0.53658%0.584SS.*  trans72.32.6-17200000114.5I110I110-G114 VanDerWaalsContact O-CA 3.29Å; I110-G114 WeakPolarHBondContact O-CA 3.5Å; I110-G114 PolarHBondContact O-N 3.02Å
115E89.1Confident86.9Confident122 Ų122100.7 Ų100.757%0.5759%0.589SS**PPolyproline II helixtrans-75.4132.1-178.8-73.4177.5-177.900111.3T109 I110 T113T109-E115 WeakPolarHBondContact CA-O 3.38Å; I110-E115 PolarHBondContact N-O 2.93Å; T113-E115 HydrophobicContact CG2-CB 4.37Å; T113-E115 HydrophobicContact CG2-CG 3.69Å; T113-E115 PolarHBondContact O-N 2.89Å
116V90.6Very high85.7Confident95 Ų95103.3 Ų103.358%0.57660%0.603SS**BIsolated β-bridgetrans-89.7128173.5-176.90000108.7D108 T109D108-V116 WeakPolarHBondContact O-CA 3.44Å; T109-V116 HydrophobicContact CG2-CG2 4.27Å
117L89Confident84Confident42 Ų42112.8 Ų112.822%0.2264%0.642CS.*PPolyproline II helixtrans-68.3132179.7-72.4173.1000110.7L104 F105 G107 D108L104-L117 HydrophobicContact CB-CD1 3.58Å; L104-L117 HydrophobicContact CD1-CD1 4.29Å; L104-L117 HydrophobicContact CD2-CD1 4.09Å; L104-L117 HydrophobicContact CG-CD1 4.18Å; F105-L117 WeakPolarHBondContact O-CD1 3.47Å; G107-L117 WeakPolarHBondContact CA-O 3.42Å; G107-L117 PolarHBondContact N-O 3.31Å; D108-L117 HydrophobicContact CB-CD1 4.13Å; D108-L117 PolarHBondContact O-N 3.23Å
118P88.8Confident83.9Confident106 Ų106116.1 Ų116.169%0.68865%0.649SS**PPolyproline II helixtrans-62.4144.6-17926.2-33.7000110.5P106P106-P118 WeakPolarHBondContact CB-O 3.39Å
119G86.3Confident83.4Confident58 Ų58118.7 Ų118.760%0.59867%0.665SS**PPolyproline II helixtrans-57.5152.8171.200000111.4
120L84.9Confident83Confident139 Ų139120.9 Ų120.973%0.72868%0.675SS**PPolyproline II helixtrans-61.8145.6167-68.5169.7000108.9P106 E122P106-L120 HydrophobicContact CB-CG 4.36Å; P106-L120 HydrophobicContact CG-CD1 4.1Å; P106-L120 HydrophobicContact CG-CD2 4.06Å; P106-L120 HydrophobicContact CG-CG 3.61Å; L120-E122 PolarHBondContact O-N 2.96Å
121P84.6Confident82.5Confident105 Ų105125.5 Ų125.568%0.68270%0.702SS**PPolyproline II helixtrans-57.3143174.624.9-33.4000109.9T123P121-T123 PolarHBondContact O-N 3.5Å
122E80.8Confident81.9Confident177 Ų177122.4 Ų122.483%0.82769%0.688SS**  trans-60.3108.8175.1-67.6-166.6174.100109.4L120L120-E122 PolarHBondContact O-N 2.96Å
123T79.1Confident81.3Confident124 Ų124117.9 Ų117.976%0.76168%0.675SS**  trans-87.8116.3171.156.50000107.9P121 G125P121-T123 PolarHBondContact O-N 3.5Å; T123-G125 PolarHBondContact O-N 2.84Å
124H73.9Confident80.6Confident161 Ų161120.4 Ų120.475%0.74569%0.686SS**  trans-67.686.4166.6-58.6-56.5000108.4H126H124-H126 PolarHBondContact O-N 3.21Å
125G69.4Low79.9Confident61 Ų61125.6 Ų125.663%0.62970%0.698SS**  trans-64.2117.3174.700000109.1T123 H127T123-G125 PolarHBondContact O-N 2.84Å; G125-H127 PolarHBondContact O-N 3.12Å; G125-H127 VanDerWaalsContact O-N 3.12Å
126H66.5Low79.2Confident183 Ų183125.9 Ų125.985%0.84771%0.709SS**  trans-75.496.9168.3-71.7-74.1000108.8H124H124-H126 PolarHBondContact O-N 3.21Å
127H56.2Low78.1Confident260 Ų260128.7 Ų128.7100%1.20472%0.721SS**  trans-128.30156-79.4-61.5000108.6G125G125-H127 PolarHBondContact O-N 3.12Å; G125-H127 VanDerWaalsContact O-N 3.12Å

Retrieved 127 of 127 residues in 279.2 ms (Link to these results)