Z4YKD2_MOUSE Loading...

Cation channel, sperm associated 4

AlphaFold DB , UniProt , Accession Z4YKD2, Species MOUSE (Mus musculus, Mouse), Gene Catsper4, Length 136 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
1M43Very low51.2Low235 Ų235160.6 Ų160.6100%1.15874%0.744SS**  0118.10-89.686136.400110.1
2S48.4Very low51.2Low86 Ų86160.9 Ų160.960%0.60175%0.746SS**  trans-14585.8163-172.60000108.2K4 H5S2-K4 PolarHBondContact O-N 2.65Å; S2-H5 PolarHBondContact OG-CD2 2.86Å
3E57.6Low51.2Low173 Ų173159.8 Ų159.881%0.80875%0.749SS**G310 helixtrans-80.32-174.3-63.1-170.5129.800113.5
4K57.1Low51.4Low184 Ų184156.4 Ų156.480%0.874%0.737SS**G310 helixtrans-84.1-10.2-173.7-60.6-138.2177.5-172.70114.8S2S2-K4 PolarHBondContact O-N 2.65Å
5H53.7Low51.3Low143 Ų143154.3 Ų154.366%0.66273%0.732SS**G310 helixtrans-93.7-9.8-177.3-64-78.1000114.3S2S2-H5 PolarHBondContact OG-CD2 2.86Å
6K52.2Low51.2Low173 Ų173154.6 Ų154.675%0.75274%0.737SS**Hα-helixtrans-82.1-26.7-176-106.7-175.5178.5-172.30114.6W8K6-W8 PolarHBondContact O-N 2.97Å
7W48.7Very low51.1Low199 Ų199152.9 Ų152.975%0.75474%0.739SS**Hα-helixtrans-73.9-29.9-168.2-141.777.3000113.7
8W47.8Very low50.7Low192 Ų192153.8 Ų153.873%0.72774%0.742SS**Hα-helixtrans-79.1-30.9-179.7-64.6106.4000113.3K6 Q10K6-W8 PolarHBondContact O-N 2.97Å; W8-Q10 VanDerWaalsContact C-N 3.29Å; W8-Q10 PolarHBondContact O-N 3.29Å
9Q51.5Low50.9Low143 Ų143155.5 Ų155.567%0.66875%0.754SS**Hα-helixtrans-74.8-17.2179.6-75.4-171.1-33.700113.9
10Q48.9Very low50.4Low138 Ų138149.9 Ų149.965%0.64574%0.738SS**Hα-helixtrans-80.7-20.4-179.1-166.5165-42.100113W8 I14W8-Q10 VanDerWaalsContact C-N 3.29Å; W8-Q10 PolarHBondContact O-N 3.29Å; Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 VanDerWaalsContact O-CD1 3.32Å; Q10-I14 WeakPolarHBondContact O-CD1 3.36Å; Q10-I14 WeakPolarHBondContact O-CG1 3.3Å
11V54.3Low50.3Low101 Ų101148.6 Ų148.661%0.61274%0.741SS**Hα-helixtrans-81-29.8178.3-179.80000111.6
12E51.3Low50.5Low164 Ų164147 Ų14777%0.76673%0.728SS**Hα-helixtrans-82.4-17.2-177-65.6-179.8-177.400113.6
13N51.7Low50.5Low146 Ų146151.7 Ų151.778%0.78173%0.732SS**THydrogen-bonded Turntrans-99.20.1-175.3-130-29.2000113.8
14I53.5Low50Low113 Ų113149.9 Ų149.958%0.57972%0.722SS**SBendtrans-103.8111.4178-55.6171.5000108Q10Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 VanDerWaalsContact O-CD1 3.32Å; Q10-I14 WeakPolarHBondContact O-CD1 3.36Å; Q10-I14 WeakPolarHBondContact O-CG1 3.3Å
15D49.6Very low49.5Very low124 Ų124145.1 Ų145.166%0.66372%0.717SS**  trans84.760.7159.1-86.2-23.3000120.6
16I49.8Very low49.4Very low160 Ų160144.8 Ų144.882%0.82171%0.711SS**SBendtrans-107.325.4146.2-43.6175.8000111.4
17T49.4Very low49.2Very low126 Ų126142 Ų14277%0.77370%0.7SS**SBendtrans-128.833.3-179-320000113.6
18H44.4Very low49.2Very low169 Ų169139.5 Ų139.578%0.78270%0.701SS**  trans-146.876.5166.1-131.5-102.7000111.6G20H18-G20 PolarHBondContact O-N 2.82Å
19L54.3Low49.4Very low185 Ų185136.1 Ų136.197%0.96970%0.697SS**  trans-64.299.1162.9-96.7104000109.2
20G41.8Very low49.1Very low43 Ų43131.8 Ų131.844%0.44369%0.691SS.*  trans-135.6150.4163.800000109.8H18 K22H18-G20 PolarHBondContact O-N 2.82Å; G20-K22 PolarHBondContact O-N 3Å
21P46.4Very low48.9Very low124 Ų124135.7 Ų135.781%0.80570%0.699SS**  trans-67.7102.1-146.8-18.631.2000114.3R23P21-R23 PolarHBondContact O-N 3.02Å
22K47.6Very low48.6Very low202 Ų202137 Ų13788%0.87870%0.699SS**  trans-69.563.7166.4-74.7-164.4176.2178.70111.5G20G20-K22 PolarHBondContact O-N 3Å
23R49.4Very low48.6Very low183 Ų183136.4 Ų136.469%0.69170%0.696SS**  trans-119.68.3-179.4-74.5-164.4-172.7168.83.2116.2P21 Y26P21-R23 PolarHBondContact O-N 3.02Å; R23-Y26 VanDerWaalsContact C-CZ 3.43Å; R23-Y26 WeakPolarHBondContact CA-OH 3.39Å; R23-Y26 WeakPolarHBondContact CB-OH 3.32Å; R23-Y26 WeakPolarHBondContact O-CE2 3.19Å; R23-Y26 PolarHBondContact O-OH 3.21Å
24K46.2Very low48.6Very low135 Ų135137.9 Ų137.959%0.58770%0.698SS**SBendtrans-131.91.1-177.1-67.3-66-179.6-174.10116.4Y26 E27K24-Y26 VanDerWaalsContact C-N 3.35Å; K24-E27 VanDerWaalsContact CD-OE2 3.3Å; K24-E27 WeakPolarHBondContact CD-OE2 3.38Å; K24-E27 IonicContact NZ-OE1 3.73Å; K24-E27 PolarHBondContact NZ-OE1 3.31Å; K24-E27 IonicContact NZ-OE2 2.87Å; K24-E27 PolarHBondContact NZ-OE2 3.46Å
25A47.9Very low48.5Very low85 Ų85139 Ų13970%0.70270%0.701SS**Hα-helixtrans-72.9-27.5177.200000113.1
26Y50.6Low48.7Very low136 Ų136138.2 Ų138.253%0.53370%0.7SS.*Hα-helixtrans-83.2-24.4-179.442.9-99.7000113.8R23 K24R23-Y26 VanDerWaalsContact C-CZ 3.43Å; R23-Y26 WeakPolarHBondContact CA-OH 3.39Å; R23-Y26 WeakPolarHBondContact CB-OH 3.32Å; R23-Y26 WeakPolarHBondContact O-CE2 3.19Å; R23-Y26 PolarHBondContact O-OH 3.21Å; K24-Y26 VanDerWaalsContact C-N 3.35Å
27E48Very low49.2Very low113 Ų113139 Ų13953%0.52871%0.705SS.*Hα-helixtrans-75.8-25.1177.3-73.9-179.2-164.100112.7K24K24-E27 VanDerWaalsContact CD-OE2 3.3Å; K24-E27 WeakPolarHBondContact CD-OE2 3.38Å; K24-E27 IonicContact NZ-OE1 3.73Å; K24-E27 PolarHBondContact NZ-OE1 3.31Å; K24-E27 IonicContact NZ-OE2 2.87Å; K24-E27 PolarHBondContact NZ-OE2 3.46Å
28L49.6Very low49.6Very low148 Ų148138.4 Ų138.478%0.77570%0.696SS**Hα-helixtrans-83.6-23.5177.7-134.3145.1000112.2
29L51.8Low50.6Low121 Ų121134 Ų13463%0.63468%0.678SS**Hα-helixtrans-75.8-26.5174.7-152.675.8000112.6R31L29-R31 PolarHBondContact O-N 2.59Å
30G45.2Very low50.8Low52 Ų52135.7 Ų135.754%0.53667%0.672SS.*THydrogen-bonded Turntrans-72.9-9.7179.600000115.2
31R45Very low51.5Low220 Ų220143.2 Ų143.283%0.8369%0.687SS**THydrogen-bonded Turntrans-98.65.9179.7-153-177.9-135.5-147.32114.1L29L29-R31 PolarHBondContact O-N 2.59Å
32H48Very low52Low128 Ų128140.6 Ų140.659%0.59367%0.666SS**SBendtrans-120.64.6174.5-153.252.9000112.9E34 Q35H32-E34 VanDerWaalsContact C-N 3.32Å; H32-Q35 PolarHBondContact CE1-NE2 2.81Å; H32-Q35 VanDerWaalsContact CE1-NE2 3.31Å; H32-Q35 PolarHBondContact ND1-NE2 2.85Å
33E51Low52.5Low151 Ų151134.6 Ų134.671%0.70665%0.646SS**THydrogen-bonded Turntrans-87.8-1.6171.3-64.8-170.8168.100112.6Q35E33-Q35 VanDerWaalsContact C-N 3.34Å
34E50.2Low52.8Low177 Ų177131.7 Ų131.783%0.82764%0.642SS**THydrogen-bonded Turntrans-87.7-1.5172.4-156.8174.4-168.600112.8H32 V36H32-E34 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 3.07Å
35Q51.4Low53.3Low138 Ų138131.6 Ų131.665%0.64564%0.644SS**SBendtrans-91.880.5169.9-67.9-171.434.600109.4H32 E33H32-Q35 PolarHBondContact CE1-NE2 2.81Å; H32-Q35 VanDerWaalsContact CE1-NE2 3.31Å; H32-Q35 PolarHBondContact ND1-NE2 2.85Å; E33-Q35 VanDerWaalsContact C-N 3.34Å
36V54.2Low53.8Low106 Ų106134.6 Ų134.664%0.64264%0.641SS**  trans52.9111.6159.6-167.70000113E34 I38E34-V36 PolarHBondContact O-N 3.07Å; V36-I38 HydrophobicContact CB-CD1 4.43Å; V36-I38 HydrophobicContact CB-CG1 3.91Å; V36-I38 HydrophobicContact CG1-CD1 4.19Å; V36-I38 HydrophobicContact CG1-CG1 3.44Å; V36-I38 VanDerWaalsContact CG1-CG1 3.44Å; V36-I38 PolarHBondContact O-N 3.3Å
37L60.1Low54.1Low178 Ų178135.2 Ų135.293%0.93265%0.646SS**  trans-55.264.8161.5-77.7148.9000111.1N39L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.46Å
38I58.9Low54.4Low112 Ų112134 Ų13457%0.57464%0.643SS**  trans-7798.5167-55.7-176.5000103.4V36 R40 V43V36-I38 HydrophobicContact CB-CD1 4.43Å; V36-I38 HydrophobicContact CB-CG1 3.91Å; V36-I38 HydrophobicContact CG1-CD1 4.19Å; V36-I38 HydrophobicContact CG1-CG1 3.44Å; V36-I38 VanDerWaalsContact CG1-CG1 3.44Å; V36-I38 PolarHBondContact O-N 3.3Å; I38-R40 PolarHBondContact O-N 3.36Å; I38-V43 HydrophobicContact CG2-CG2 3.37Å
39N64.4Low54.9Low78 Ų78129.7 Ų129.742%0.41763%0.629SS.*  trans-49.6104.3173.6-175.411.2000108.2L37 R41 D42 V43L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.46Å; N39-R41 PolarHBondContact O-N 2.96Å; N39-R41 WeakPolarHBondContact OD1-CB 3.48Å; N39-R41 PolarHBondContact OD1-N 3.34Å; N39-D42 HydrophobicContact CB-CB 4.14Å; N39-D42 PolarHBondContact ND2-OD1 3.14Å; N39-D42 WeakPolarHBondContact O-CB 3.38Å; N39-D42 PolarHBondContact O-N 3.39Å; N39-V43 PolarHBondContact O-N 3.38Å
40R59.1Low55.4Low219 Ų219132 Ų13283%0.82663%0.629SS**Hα-helixtrans-55.9-24.7179.1-80.6-169-175.3-172.92.9111.6I38 V43 M44I38-R40 PolarHBondContact O-N 3.36Å; R40-V43 PolarHBondContact O-N 2.81Å; R40-M44 PolarHBondContact O-N 3.01Å
41R57.1Low56.3Low201 Ų201134.6 Ų134.676%0.75863%0.631SS**Hα-helixtrans-68-43174.9-61.7178.6-175.1156.72.3112N39 V43 M44 E45N39-R41 PolarHBondContact O-N 2.96Å; N39-R41 WeakPolarHBondContact OD1-CB 3.48Å; N39-R41 PolarHBondContact OD1-N 3.34Å; R41-V43 VanDerWaalsContact C-N 3.27Å; R41-V43 PolarHBondContact O-N 3.38Å; R41-M44 PolarHBondContact O-N 2.98Å; R41-E45 WeakPolarHBondContact O-CB 3.34Å; R41-E45 PolarHBondContact O-N 3.27Å
42D57.2Low57.2Low69 Ų69128 Ų12837%0.36962%0.615SS.*Hα-helixtrans-62.8-34.6174.6-85.737.4000112.1N39 K46N39-D42 HydrophobicContact CB-CB 4.14Å; N39-D42 PolarHBondContact ND2-OD1 3.14Å; N39-D42 WeakPolarHBondContact O-CB 3.38Å; N39-D42 PolarHBondContact O-N 3.39Å; D42-K46 WeakPolarHBondContact O-CB 3.17Å; D42-K46 VanDerWaalsContact O-CG 3.26Å; D42-K46 WeakPolarHBondContact O-CG 3.28Å; D42-K46 PolarHBondContact O-N 3.48Å; D42-K46 VanDerWaalsContact O-N 3.14Å
43V57.9Low58.1Low76 Ų76127.8 Ų127.846%0.46161%0.614SS.*Hα-helixtrans-76.1-38.5-179.7-1800000111.5I38 N39 R40 R41 K47I38-V43 HydrophobicContact CG2-CG2 3.37Å; N39-V43 PolarHBondContact O-N 3.38Å; R40-V43 PolarHBondContact O-N 2.81Å; R41-V43 VanDerWaalsContact C-N 3.27Å; R41-V43 PolarHBondContact O-N 3.38Å; V43-K47 VanDerWaalsContact O-CB 3.28Å; V43-K47 WeakPolarHBondContact O-CB 3.34Å; V43-K47 PolarHBondContact O-N 3.5Å
44M55.2Low58.8Low122 Ų122125.1 Ų125.160%0.60160%0.602SS**Hα-helixtrans-68.9-47.8172.2-90.2174.251.300111.5R40 R41 K46 K47 D48R40-M44 PolarHBondContact O-N 3.01Å; R41-M44 PolarHBondContact O-N 2.98Å; M44-K46 PolarHBondContact O-N 2.95Å; M44-K47 PolarHBondContact O-N 2.9Å; M44-K47 VanDerWaalsContact O-N 3.13Å; M44-D48 WeakPolarHBondContact O-CB 3.26Å; M44-D48 PolarHBondContact O-N 3.13Å
45E56.1Low59.3Low134 Ų134123 Ų12363%0.62659%0.59SS**Hα-helixtrans-59.2-45.1-178.7-177.8179.3-159.600112.2R41 K47 A49R41-E45 WeakPolarHBondContact O-CB 3.34Å; R41-E45 PolarHBondContact O-N 3.27Å; E45-K47 VanDerWaalsContact C-N 3.35Å; E45-K47 PolarHBondContact O-N 2.81Å; E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.36Å; E45-A49 PolarHBondContact O-N 3.48Å
46K57.7Low59.9Low148 Ų148121 Ų12164%0.64358%0.583SS**Hα-helixtrans-67.9-34.9177.2-73.3174.9-179.6170.50112.7D42 M44 W50D42-K46 WeakPolarHBondContact O-CB 3.17Å; D42-K46 VanDerWaalsContact O-CG 3.26Å; D42-K46 WeakPolarHBondContact O-CG 3.28Å; D42-K46 PolarHBondContact O-N 3.48Å; D42-K46 VanDerWaalsContact O-N 3.14Å; M44-K46 PolarHBondContact O-N 2.95Å; K46-W50 PolarHBondContact O-N 3.43Å
47K56.9Low60.5Low149 Ų149119.2 Ų119.265%0.64857%0.572SS**Hα-helixtrans-76.3-38.2-179.3-164.4146.184.2152.30111.7V43 M44 E45 W50 D51V43-K47 VanDerWaalsContact O-CB 3.28Å; V43-K47 WeakPolarHBondContact O-CB 3.34Å; V43-K47 PolarHBondContact O-N 3.5Å; M44-K47 PolarHBondContact O-N 2.9Å; M44-K47 VanDerWaalsContact O-N 3.13Å; E45-K47 VanDerWaalsContact C-N 3.35Å; E45-K47 PolarHBondContact O-N 2.81Å; K47-W50 PolarHBondContact O-N 3.35Å; K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 3.18Å
48D55.4Low60.8Low86 Ų86115.7 Ų115.746%0.4655%0.551SS.*Hα-helixtrans-68.1-38.1174.4-64.9-22.8000110.9M44 D51 V52M44-D48 WeakPolarHBondContact O-CB 3.26Å; M44-D48 PolarHBondContact O-N 3.13Å; D48-D51 PolarHBondContact O-N 3.43Å; D48-V52 WeakPolarHBondContact O-CB 3.17Å; D48-V52 WeakPolarHBondContact O-CG2 3.09Å; D48-V52 PolarHBondContact O-N 2.87Å
49A60.1Low60.8Low58 Ų58114.2 Ų114.248%0.47954%0.543SS..Hα-helixtrans-64-41.117500000112.7E45 Q53E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.36Å; E45-A49 PolarHBondContact O-N 3.48Å; A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 3Å
50W62.5Low60.7Low169 Ų169117.1 Ų117.164%0.6455%0.549SS*.Hα-helixtrans-67.2-45.2176.4-176.6-89.1000112K46 K47 Q53 E54K46-W50 PolarHBondContact O-N 3.43Å; K47-W50 PolarHBondContact O-N 3.35Å; W50-Q53 PolarHBondContact O-N 2.88Å; W50-E54 PolarHBondContact NE1-OE2 3.44Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 3.48Å
51D62.9Low61Low108 Ų108111.1 Ų111.158%0.57853%0.532SS*.Hα-helixtrans-70.9-37-177.5-149.223.7000111.7K47 D48 E54 F55K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 3.18Å; D48-D51 PolarHBondContact O-N 3.43Å; D51-E54 PolarHBondContact O-N 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.2Å; D51-F55 PolarHBondContact O-N 3Å
52V64.3Low61.3Low81 Ų81108.6 Ų108.649%0.49153%0.527SS..Hα-helixtrans-66-41.6171.6170.60000110.8D48 F55 I56D48-V52 WeakPolarHBondContact O-CB 3.17Å; D48-V52 WeakPolarHBondContact O-CG2 3.09Å; D48-V52 PolarHBondContact O-N 2.87Å; V52-F55 PolarHBondContact O-N 2.89Å; V52-I56 HydrophobicContact CG1-CD1 3.47Å; V52-I56 VanDerWaalsContact CG1-CD1 3.47Å; V52-I56 HydrophobicContact CG1-CG1 4.12Å; V52-I56 VanDerWaalsContact O-CB 3.23Å; V52-I56 WeakPolarHBondContact O-CB 3.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.9Å
53Q66.8Low61.4Low123 Ų123110.6 Ų110.658%0.57553%0.534SS*.Hα-helixtrans-66.1-41.3177.3-176.7168.9-18.900111.7A49 W50 T57A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 3Å; W50-Q53 PolarHBondContact O-N 2.88Å; Q53-T57 VanDerWaalsContact O-CB 3.22Å; Q53-T57 WeakPolarHBondContact O-CB 3.16Å; Q53-T57 PolarHBondContact O-N 2.62Å; Q53-T57 PolarHBondContact O-OG1 2.86Å
54E66.2Low61.7Low95 Ų95108.8 Ų108.844%0.44452%0.521SS..Hα-helixtrans-68.3-40.4178.2-168.7151.2-165.300111.5W50 D51 T57 Q58W50-E54 PolarHBondContact NE1-OE2 3.44Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 3.48Å; D51-E54 PolarHBondContact O-N 3.3Å; E54-T57 PolarHBondContact O-N 3.47Å; E54-Q58 WeakPolarHBondContact O-CB 3.11Å; E54-Q58 WeakPolarHBondContact O-CG 3.23Å; E54-Q58 PolarHBondContact O-N 3.5Å
55F60.5Low61.9Low133 Ų133107.9 Ų107.958%0.58352%0.518SS*.Hα-helixtrans-67.6-44.2174.2-171.8-103.5000112.9D51 V52 M59D51-F55 WeakPolarHBondContact O-CB 3.2Å; D51-F55 PolarHBondContact O-N 3Å; V52-F55 PolarHBondContact O-N 2.89Å; F55-M59 HydrophobicContact CD1-CE 3.91Å; F55-M59 HydrophobicContact CE1-CE 3.26Å; F55-M59 HydrophobicContact CE1-SD 4.05Å; F55-M59 HydrophobicContact CZ-CE 3.85Å; F55-M59 HydrophobicContact CZ-SD 4.02Å; F55-M59 WeakPolarHBondContact O-CB 3.22Å; F55-M59 PolarHBondContact O-N 3.22Å
56I63.8Low62.4Low95 Ų95111.9 Ų111.949%0.48753%0.528SS..Hα-helixtrans-61.2-46.7174.2-71.5170.7000109.3V52 M59 Y60V52-I56 HydrophobicContact CG1-CD1 3.47Å; V52-I56 VanDerWaalsContact CG1-CD1 3.47Å; V52-I56 HydrophobicContact CG1-CG1 4.12Å; V52-I56 VanDerWaalsContact O-CB 3.23Å; V52-I56 WeakPolarHBondContact O-CB 3.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.9Å; I56-M59 PolarHBondContact O-N 2.8Å; I56-Y60 WeakPolarHBondContact O-CA 3.43Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 PolarHBondContact O-N 3.48Å
57T67.1Low63.1Low69 Ų69110.5 Ų110.542%0.42352%0.523SS..Hα-helixtrans-65.9-45.5-177.3-540000111.2Q53 E54 M59 Y60 I61Q53-T57 VanDerWaalsContact O-CB 3.22Å; Q53-T57 WeakPolarHBondContact O-CB 3.16Å; Q53-T57 PolarHBondContact O-N 2.62Å; Q53-T57 PolarHBondContact O-OG1 2.86Å; E54-T57 PolarHBondContact O-N 3.47Å; T57-M59 PolarHBondContact O-N 2.9Å; T57-Y60 PolarHBondContact O-N 2.73Å; T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CB 3.41Å; T57-I61 WeakPolarHBondContact O-CD1 3.34Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.93Å
58Q65.9Low63.8Low105 Ų105107.3 Ų107.349%0.49152%0.518SS..Hα-helixtrans-61.8-42.9176.2-74.7-92.8-19.700112.3E54 K62E54-Q58 WeakPolarHBondContact O-CB 3.11Å; E54-Q58 WeakPolarHBondContact O-CG 3.23Å; E54-Q58 PolarHBondContact O-N 3.5Å; Q58-K62 WeakPolarHBondContact O-CG 2.95Å; Q58-K62 PolarHBondContact O-N 3.4Å
59M60Low64.9Low80 Ų80106 Ų10639%0.39452%0.519SS..Hα-helixtrans-76-36.5-179.2-167.5150.964.300111.9F55 I56 T57 K62 Q63F55-M59 HydrophobicContact CD1-CE 3.91Å; F55-M59 HydrophobicContact CE1-CE 3.26Å; F55-M59 HydrophobicContact CE1-SD 4.05Å; F55-M59 HydrophobicContact CZ-CE 3.85Å; F55-M59 HydrophobicContact CZ-SD 4.02Å; F55-M59 WeakPolarHBondContact O-CB 3.22Å; F55-M59 PolarHBondContact O-N 3.22Å; I56-M59 PolarHBondContact O-N 2.8Å; T57-M59 PolarHBondContact O-N 2.9Å; M59-K62 PolarHBondContact O-N 2.87Å; M59-Q63 WeakPolarHBondContact O-CB 3.36Å; M59-Q63 WeakPolarHBondContact O-CG 3.15Å; M59-Q63 PolarHBondContact O-N 2.94Å
60Y62.6Low65.7Low140 Ų140106.6 Ų106.655%0.54951%0.511SS..Hα-helixtrans-68-42177.4-168.4-105.1000111.1I56 T57 K62 Q63 L64I56-Y60 WeakPolarHBondContact O-CA 3.43Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 PolarHBondContact O-N 3.48Å; T57-Y60 PolarHBondContact O-N 2.73Å; Y60-K62 VanDerWaalsContact C-N 3.34Å; Y60-K62 PolarHBondContact O-N 3.2Å; Y60-Q63 PolarHBondContact O-N 3.44Å; Y60-L64 HydrophobicContact CD1-CD1 3.64Å; Y60-L64 HydrophobicContact CD1-CD2 3.72Å; Y60-L64 HydrophobicContact CD1-CG 4.23Å; Y60-L64 HydrophobicContact CD2-CD1 3.82Å; Y60-L64 HydrophobicContact CE1-CD1 3.28Å; Y60-L64 HydrophobicContact CE1-CD2 3.29Å; Y60-L64 HydrophobicContact CE1-CG 3.9Å; Y60-L64 HydrophobicContact CE2-CD1 3.47Å; Y60-L64 VanDerWaalsContact CE2-CD1 3.47Å; Y60-L64 HydrophobicContact CG-CD1 3.9Å; Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.23Å; Y60-L64 PolarHBondContact O-N 3.39Å
61I64.6Low66.5Low93 Ų93104.1 Ų104.148%0.47751%0.506SS..Hα-helixtrans-60-45.8173.5-68.2163.5000110.4T57 Q63 L64 L65T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CB 3.41Å; T57-I61 WeakPolarHBondContact O-CD1 3.34Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.93Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.37Å; I61-L64 PolarHBondContact O-N 3.48Å; I61-L65 HydrophobicContact CG2-CD1 3.99Å; I61-L65 WeakPolarHBondContact O-CD1 3.09Å; I61-L65 PolarHBondContact O-N 3.39Å
62K64.1Low67.4Low148 Ų148104.9 Ų104.964%0.64351%0.51SS*.Hα-helixtrans-64.2-34.1178.4-72.3175.5-177.6172.40112.8Q58 M59 Y60Q58-K62 WeakPolarHBondContact O-CG 2.95Å; Q58-K62 PolarHBondContact O-N 3.4Å; M59-K62 PolarHBondContact O-N 2.87Å; Y60-K62 VanDerWaalsContact C-N 3.34Å; Y60-K62 PolarHBondContact O-N 3.2Å
63Q59.8Low68.4Low110 Ų110106.7 Ų106.751%0.51452%0.516SS..Hα-helixtrans-84.6-31.8178.3-71.8-179.412.600113.3M59 Y60 I61 R66 H67M59-Q63 WeakPolarHBondContact O-CB 3.36Å; M59-Q63 WeakPolarHBondContact O-CG 3.15Å; M59-Q63 PolarHBondContact O-N 2.94Å; Y60-Q63 PolarHBondContact O-N 3.44Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.37Å; Q63-R66 PolarHBondContact O-N 3.45Å; Q63-R66 VanDerWaalsContact O-N 3.15Å; Q63-H67 PolarHBondContact O-N 3.34Å
64L62.5Low69.3Low38 Ų38104.9 Ų104.920%0.19951%0.51CS..Hα-helixtrans-63.5-45175.7-112.957.3000111.1Y60 I61 R66 H67 F70Y60-L64 HydrophobicContact CD1-CD1 3.64Å; Y60-L64 HydrophobicContact CD1-CD2 3.72Å; Y60-L64 HydrophobicContact CD1-CG 4.23Å; Y60-L64 HydrophobicContact CD2-CD1 3.82Å; Y60-L64 HydrophobicContact CE1-CD1 3.28Å; Y60-L64 HydrophobicContact CE1-CD2 3.29Å; Y60-L64 HydrophobicContact CE1-CG 3.9Å; Y60-L64 HydrophobicContact CE2-CD1 3.47Å; Y60-L64 VanDerWaalsContact CE2-CD1 3.47Å; Y60-L64 HydrophobicContact CG-CD1 3.9Å; Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.23Å; Y60-L64 PolarHBondContact O-N 3.39Å; I61-L64 PolarHBondContact O-N 3.48Å; L64-R66 PolarHBondContact O-N 2.71Å; L64-R66 VanDerWaalsContact O-N 3.13Å; L64-H67 PolarHBondContact O-N 3.24Å; L64-F70 HydrophobicContact CB-CD1 4.31Å; L64-F70 HydrophobicContact CB-CD2 4.3Å; L64-F70 HydrophobicContact CB-CG 4.12Å; L64-F70 HydrophobicContact CD2-CD2 3.8Å; L64-F70 HydrophobicContact CD2-CE2 3.82Å; L64-F70 HydrophobicContact CD2-CG 4.45Å; L64-F70 HydrophobicContact CD2-CZ 4.49Å; L64-F70 HydrophobicContact CG-CB 4.45Å; L64-F70 HydrophobicContact CG-CD2 3.94Å; L64-F70 HydrophobicContact CG-CE2 4.41Å; L64-F70 HydrophobicContact CG-CG 4.16Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å
65L60.2Low70.2Confident103 Ų103102.8 Ų102.854%0.53951%0.509SS..THydrogen-bonded Turntrans-64.7-17.5177.3-86.981.4000113.2I61 F70I61-L65 HydrophobicContact CG2-CD1 3.99Å; I61-L65 WeakPolarHBondContact O-CD1 3.09Å; I61-L65 PolarHBondContact O-N 3.39Å; L65-F70 HydrophobicContact CD1-CD1 4.45Å; L65-F70 HydrophobicContact CD1-CE1 3.95Å; L65-F70 HydrophobicContact CG-CD1 4.5Å; L65-F70 HydrophobicContact CG-CE1 4.29Å
66R67.3Low71.6Confident219 Ų219103.6 Ų103.683%0.82651%0.512SS*.THydrogen-bonded Turntrans-93.7-9.6177.3-172.8155.5151.9159.2-9.4113Q63 L64Q63-R66 PolarHBondContact O-N 3.45Å; Q63-R66 VanDerWaalsContact O-N 3.15Å; L64-R66 PolarHBondContact O-N 2.71Å; L64-R66 VanDerWaalsContact O-N 3.13Å
67H72.3Confident72.8Confident118 Ų118104.7 Ų104.755%0.54652%0.519SS..SBendtrans-90.3127.1174.7-98.9-74.9000111.5Q63 L64 A69 F70 Q71Q63-H67 PolarHBondContact O-N 3.34Å; L64-H67 PolarHBondContact O-N 3.24Å; H67-A69 PolarHBondContact O-N 2.7Å; H67-A69 VanDerWaalsContact O-N 3.14Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-F70 VanDerWaalsContact O-N 3.08Å; H67-Q71 PolarHBondContact O-N 2.81Å
68P71.8Confident73.8Confident83 Ų83106.6 Ų106.654%0.53953%0.526SS..Hα-helixtrans-61.5-26.8-179.223.7-33.3000112.7F70 Q71 L72P68-F70 PolarHBondContact O-N 2.99Å; P68-Q71 PolarHBondContact O-N 3.25Å; P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.43Å; P68-L72 PolarHBondContact O-N 2.91Å
69A78.2Confident75Confident58 Ų58106.4 Ų106.448%0.47953%0.528SS..Hα-helixtrans-62.4-39.3175.800000112.9H67 L72 L73H67-A69 PolarHBondContact O-N 2.7Å; H67-A69 VanDerWaalsContact O-N 3.14Å; A69-L72 PolarHBondContact O-N 3.5Å; A69-L73 WeakPolarHBondContact O-CD1 3.27Å; A69-L73 PolarHBondContact O-N 3.36Å
70F77.4Confident76.5Confident70 Ų70104.8 Ų104.831%0.30752%0.524SS..Hα-helixtrans-72.4-35.5177.7-173-104.1000111.6L64 L65 H67 P68 L72 L73 L74L64-F70 HydrophobicContact CB-CD1 4.31Å; L64-F70 HydrophobicContact CB-CD2 4.3Å; L64-F70 HydrophobicContact CB-CG 4.12Å; L64-F70 HydrophobicContact CD2-CD2 3.8Å; L64-F70 HydrophobicContact CD2-CE2 3.82Å; L64-F70 HydrophobicContact CD2-CG 4.45Å; L64-F70 HydrophobicContact CD2-CZ 4.49Å; L64-F70 HydrophobicContact CG-CB 4.45Å; L64-F70 HydrophobicContact CG-CD2 3.94Å; L64-F70 HydrophobicContact CG-CE2 4.41Å; L64-F70 HydrophobicContact CG-CG 4.16Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å; L65-F70 HydrophobicContact CD1-CD1 4.45Å; L65-F70 HydrophobicContact CD1-CE1 3.95Å; L65-F70 HydrophobicContact CG-CD1 4.5Å; L65-F70 HydrophobicContact CG-CE1 4.29Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-F70 VanDerWaalsContact O-N 3.08Å; P68-F70 PolarHBondContact O-N 2.99Å; F70-L72 VanDerWaalsContact C-N 3.32Å; F70-L73 PolarHBondContact O-N 3.37Å; F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.39Å; F70-L74 PolarHBondContact O-N 2.87Å
71Q78.6Confident77.7Confident117 Ų117102.7 Ų102.755%0.54752%0.523SS..Hα-helixtrans-63.3-39.2171.9-65.8-178.7-22.800111.5H67 P68 L74 A75H67-Q71 PolarHBondContact O-N 2.81Å; P68-Q71 PolarHBondContact O-N 3.25Å; Q71-L74 PolarHBondContact O-N 3.4Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.48Å
72L81.5Confident78.9Confident125 Ų125100.9 Ų100.965%0.65452%0.521SS*.Hα-helixtrans-66.2-43.2174.2-71.2171.1000112P68 A69 F70 A75 F76P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.43Å; P68-L72 PolarHBondContact O-N 2.91Å; A69-L72 PolarHBondContact O-N 3.5Å; F70-L72 VanDerWaalsContact C-N 3.32Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 2.84Å
73L85.7Confident80Confident119 Ų11997.7 Ų97.762%0.62351%0.51SS*.Hα-helixtrans-59-48173.4-86.1151.9000111.5A69 F70 F76 L77A69-L73 WeakPolarHBondContact O-CD1 3.27Å; A69-L73 PolarHBondContact O-N 3.36Å; F70-L73 PolarHBondContact O-N 3.37Å; L73-F76 PolarHBondContact O-N 2.95Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.08Å
74L84.5Confident81.2Confident84 Ų8496.8 Ų96.844%0.4451%0.513SS..Hα-helixtrans-64.8-43.3177.9-175.465.4000111.6F70 Q71 F76 L77 L78F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.39Å; F70-L74 PolarHBondContact O-N 2.87Å; Q71-L74 PolarHBondContact O-N 3.4Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.45Å; L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 3.14Å
75A86.4Confident82.2Confident52 Ų5299.6 Ų99.643%0.4353%0.527SS..Hα-helixtrans-62.4-40.6176.100000111.4Q71 L72 L78 L79Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 PolarHBondContact O-N 3.13Å
76F90.3Very high83.2Confident149 Ų14997.2 Ų97.265%0.65452%0.522SS*.Hα-helixtrans-65.5-40.2175.2-170.8-95.7000111.8L72 L73 L74 L79 S80L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 2.84Å; L73-F76 PolarHBondContact O-N 2.95Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.41Å; F76-L79 PolarHBondContact O-N 3.31Å; F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.15Å; F76-S80 PolarHBondContact O-OG 2.68Å
77L88.4Confident83.6Confident119 Ų11991.7 Ų91.762%0.62351%0.508SS*.Hα-helixtrans-63.1-44175.4-153.591.8000111.4L73 L74 S80 N81L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.08Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-OG 3.14Å; L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.29Å; L77-N81 PolarHBondContact O-N 3.37Å
78L88.5Confident83.4Confident108 Ų10895.4 Ų95.457%0.56552%0.517SS*.Hα-helixtrans-67.7-42.2176.5-73170000111.9L74 A75 N81 A82L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 3.14Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-N81 PolarHBondContact O-N 3.19Å; L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 2.82Å
79L90.8Very high82.9Confident102 Ų10295 Ų9553%0.53451%0.514SS..Hα-helixtrans-64.7-46.2179-179.562.1000111.2A75 F76 N81 A82 I83A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 PolarHBondContact O-N 3.13Å; F76-L79 PolarHBondContact O-N 3.31Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 3.13Å; L79-A82 PolarHBondContact O-N 3.21Å; L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.84Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.07Å
80S91.3Very high81.9Confident46 Ų4697 Ų9732%0.32252%0.516SS..Hα-helixtrans-64.8-37.7175.656.30000112.2F76 L77 T84F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.15Å; F76-S80 PolarHBondContact O-OG 2.68Å; L77-S80 PolarHBondContact O-OG 3.14Å; S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 2.72Å
81N88.4Confident80.8Confident96 Ų9697.2 Ų97.251%0.51353%0.527SS..Hα-helixtrans-63.6-46.4173.4-173.5-73.7000111.8L77 L78 L79 T84 I85L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.29Å; L77-N81 PolarHBondContact O-N 3.37Å; L78-N81 PolarHBondContact O-N 3.19Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 3.13Å; N81-T84 PolarHBondContact O-N 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.25Å; N81-I85 PolarHBondContact O-N 3.48Å; N81-I85 VanDerWaalsContact OD1-CD1 3.27Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.38Å
82A88.3Confident79.4Confident54 Ų5499.3 Ų99.345%0.44653%0.531SS..Hα-helixtrans-63.6-43177.100000111.9L78 L79 T84 I85 A86L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 2.82Å; L79-A82 PolarHBondContact O-N 3.21Å; A82-T84 VanDerWaalsContact C-N 3.35Å; A82-I85 PolarHBondContact O-N 3.4Å; A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 3.23Å
83I87.8Confident78Confident81 Ų8199 Ų9942%0.41553%0.529SS..Hα-helixtrans-62.9-42.4173.8-69.7166000110.4L79 I85 A86 L87L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.84Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.07Å; I83-I85 PolarHBondContact O-N 2.91Å; I83-A86 CarbonylContact O-C 3.59Å; I83-A86 PolarHBondContact O-N 2.93Å; I83-L87 HydrophobicContact CG2-CD1 3.65Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 VanDerWaalsContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CB 3.35Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.19Å; I83-L87 PolarHBondContact O-N 3.28Å
84T86Confident76.3Confident92 Ų9295.8 Ų95.856%0.56453%0.525SS*.Hα-helixtrans-62.5-44.4178.3-59.90000111.1S80 N81 A82 R88S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 2.72Å; N81-T84 PolarHBondContact O-N 3.43Å; A82-T84 VanDerWaalsContact C-N 3.35Å; T84-R88 VanDerWaalsContact O-CB 3.25Å; T84-R88 WeakPolarHBondContact O-CB 3.27Å; T84-R88 PolarHBondContact O-N 3.35Å
85I83Confident74.7Confident97 Ų9798.8 Ų98.850%0.49754%0.537SS..Hα-helixtrans-64.1-47.8174.5-67.2170.6000110N81 A82 I83 L87 R88 T89N81-I85 WeakPolarHBondContact O-CG1 3.25Å; N81-I85 PolarHBondContact O-N 3.48Å; N81-I85 VanDerWaalsContact OD1-CD1 3.27Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.38Å; A82-I85 PolarHBondContact O-N 3.4Å; I83-I85 PolarHBondContact O-N 2.91Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.83Å; I85-R88 CarbonylContact O-C 3.57Å; I85-R88 WeakPolarHBondContact O-CA 3.15Å; I85-R88 WeakPolarHBondContact O-CB 3.31Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 2.83Å
86A80.4Confident73Confident53 Ų53105.2 Ų105.244%0.43855%0.551SS.*Hα-helixtrans-62.8-37.6-179.500000112.6A82 I83 T89 N90A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 3.23Å; I83-A86 CarbonylContact O-C 3.59Å; I83-A86 PolarHBondContact O-N 2.93Å; A86-T89 WeakPolarHBondContact CA-OG1 3.43Å; A86-T89 PolarHBondContact O-OG1 2.84Å; A86-N90 WeakPolarHBondContact O-CA 3.15Å; A86-N90 WeakPolarHBondContact O-CB 3.3Å; A86-N90 PolarHBondContact O-N 3.35Å
87L75.4Confident71.2Confident103 Ų103101 Ų10154%0.53955%0.549SS..Hα-helixtrans-70.6-35.4172.6-73.7174.5000111.1I83 I85 S91I83-L87 HydrophobicContact CG2-CD1 3.65Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 VanDerWaalsContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CB 3.35Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.19Å; I83-L87 PolarHBondContact O-N 3.28Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.83Å; L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.13Å; L87-S91 PolarHBondContact O-N 2.88Å; L87-S91 PolarHBondContact O-OG 3.4Å
88R69.6Low69Low195 Ų19598.7 Ų98.774%0.73654%0.543SS*.Hα-helixtrans-69.4-39.4176.4-165-178.9-167-171.64.1111.9T84 I85 Y92T84-R88 VanDerWaalsContact O-CB 3.25Å; T84-R88 WeakPolarHBondContact O-CB 3.27Å; T84-R88 PolarHBondContact O-N 3.35Å; I85-R88 CarbonylContact O-C 3.57Å; I85-R88 WeakPolarHBondContact O-CA 3.15Å; I85-R88 WeakPolarHBondContact O-CB 3.31Å; I85-R88 PolarHBondContact O-N 3.44Å; R88-Y92 PolarHBondContact O-N 2.83Å
89T60.8Low67Low76 Ų7699.7 Ų99.747%0.46656%0.557SS.*Hα-helixtrans-77.5-31.9172.638.60000112.7I85 A86 Y92 L93I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 2.83Å; A86-T89 WeakPolarHBondContact CA-OG1 3.43Å; A86-T89 PolarHBondContact O-OG1 2.84Å; T89-Y92 CarbonylContact O-C 3.53Å; T89-Y92 WeakPolarHBondContact O-CA 3.23Å; T89-Y92 VanDerWaalsContact O-CB 3.31Å; T89-Y92 WeakPolarHBondContact O-CB 3.23Å; T89-Y92 PolarHBondContact O-N 2.78Å; T89-Y92 VanDerWaalsContact O-N 3.13Å; T89-L93 PolarHBondContact O-N 2.8Å
90N56.2Low65.3Low98 Ų98100.1 Ų100.152%0.52456%0.559SS.*Hα-helixtrans-68.7-35.5170.4-167.6-15.6000111.2A86 Y92 L93 G94A86-N90 WeakPolarHBondContact O-CA 3.15Å; A86-N90 WeakPolarHBondContact O-CB 3.3Å; A86-N90 PolarHBondContact O-N 3.35Å; N90-Y92 PolarHBondContact O-N 2.84Å; N90-L93 CarbonylContact O-C 3.54Å; N90-L93 PolarHBondContact O-N 2.79Å; N90-G94 PolarHBondContact O-N 3.07Å
91S54Low63.2Low76 Ų76101.6 Ų101.653%0.53157%0.57SS.*Hα-helixtrans-62.5-24.6170.1-58.20000112.5L87 Q95L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.13Å; L87-S91 PolarHBondContact O-N 2.88Å; L87-S91 PolarHBondContact O-OG 3.4Å; S91-Q95 PolarHBondContact O-NE2 3.17Å; S91-Q95 VanDerWaalsContact O-NE2 3.14Å
92Y50.6Low61.4Low160 Ų160105.7 Ų105.763%0.62758%0.583SS**Hα-helixtrans-80.1-38.7168.9-102.9-92.6000112.1R88 T89 N90 Q95 Y96R88-Y92 PolarHBondContact O-N 2.83Å; T89-Y92 CarbonylContact O-C 3.53Å; T89-Y92 WeakPolarHBondContact O-CA 3.23Å; T89-Y92 VanDerWaalsContact O-CB 3.31Å; T89-Y92 WeakPolarHBondContact O-CB 3.23Å; T89-Y92 PolarHBondContact O-N 2.78Å; T89-Y92 VanDerWaalsContact O-N 3.13Å; N90-Y92 PolarHBondContact O-N 2.84Å; Y92-Q95 PolarHBondContact O-N 3.09Å; Y92-Y96 VanDerWaalsContact O-CD2 3.23Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.44Å
93L52Low59.8Low119 Ų119105.4 Ų105.462%0.62358%0.578SS**Hα-helixtrans-76-30.3179-78.9155.8000114.3T89 N90 Q95 Y96 G97T89-L93 PolarHBondContact O-N 2.8Å; N90-L93 CarbonylContact O-C 3.54Å; N90-L93 PolarHBondContact O-N 2.79Å; L93-Q95 PolarHBondContact O-N 3.14Å; L93-Y96 PolarHBondContact O-N 3.34Å; L93-Y96 VanDerWaalsContact O-N 3.17Å; L93-G97 PolarHBondContact O-N 2.93Å
94G49.7Very low58.2Low52 Ų52108.8 Ų108.854%0.53659%0.589SS.*THydrogen-bonded Turntrans-69.9-13.6172.600000113.5N90N90-G94 PolarHBondContact O-N 3.07Å
95Q51.8Low56.8Low146 Ų146110 Ų11068%0.68259%0.592SS**THydrogen-bonded Turntrans-89.6-22.1169.6-76.6-178.287.800113.2S91 Y92 L93 G97S91-Q95 PolarHBondContact O-NE2 3.17Å; S91-Q95 VanDerWaalsContact O-NE2 3.14Å; Y92-Q95 PolarHBondContact O-N 3.09Å; L93-Q95 PolarHBondContact O-N 3.14Å; Q95-G97 VanDerWaalsContact C-N 3.33Å
96Y50.1Low55.6Low187 Ų187112.4 Ų112.473%0.73360%0.601SS**THydrogen-bonded Turntrans-88.8-0.7171.9-72.8-77.4000113.5Y92 L93Y92-Y96 VanDerWaalsContact O-CD2 3.23Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L93-Y96 PolarHBondContact O-N 3.34Å; L93-Y96 VanDerWaalsContact O-N 3.17Å
97G53.1Low54.5Low60 Ų60113.5 Ų113.562%0.61960%0.602SS**THydrogen-bonded Turntrans-99.913.317300000114.5L93 Q95L93-G97 PolarHBondContact O-N 2.93Å; Q95-G97 VanDerWaalsContact C-N 3.33Å
98S41.3Very low53.7Low71 Ų71114.8 Ų114.850%0.49761%0.607SS.*SBendtrans-72.9131.5172.5-148.70000109.3D100S98-D100 PolarHBondContact O-N 3.45Å
99P47.5Very low53.2Low130 Ų130110.4 Ų110.484%0.84460%0.602SS**THydrogen-bonded Turntrans-73.242.6-17932-35.8000113
100D53.3Low52.9Low111 Ų111113.4 Ų113.459%0.59461%0.61SS**THydrogen-bonded Turntrans-10910.1177.6-154.628.5000112.1S98 K102 S103S98-D100 PolarHBondContact O-N 3.45Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-S103 PolarHBondContact O-OG 3Å; D100-S103 PolarHBondContact OD1-OG 2.85Å
101S48.4Very low52.7Low77 Ų77117.4 Ų117.454%0.53862%0.619SS.*Hα-helixtrans-81.5-12.2176.8-49.80000113.2
102K50.9Low52.6Low181 Ų181122.1 Ų122.179%0.78764%0.635SS**Hα-helixtrans-82.3-38.4175.3-72.6-169.2176.9-171.90112.3D100 E106D100-K102 VanDerWaalsContact C-N 3.33Å; K102-E106 PolarHBondContact O-N 2.74Å
103S54.8Low52.7Low49 Ų49118.7 Ų118.734%0.34364%0.635SS.*Hα-helixtrans-67.9-37176.652.40000111.7D100 L105 E106 V107D100-S103 PolarHBondContact O-OG 3Å; D100-S103 PolarHBondContact OD1-OG 2.85Å; S103-L105 PolarHBondContact O-N 3.28Å; S103-E106 PolarHBondContact O-N 2.71Å; S103-V107 WeakPolarHBondContact O-CB 3.33Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 2.64Å
104K54Low53.1Low151 Ų151118 Ų11866%0.65764%0.636SS**Hα-helixtrans-68.5-32.2-178.9-153.1171.7-173.1177.10113.7M108K104-M108 WeakPolarHBondContact O-CG 3.32Å; K104-M108 PolarHBondContact O-N 2.77Å
105L56.3Low53Low118 Ų118121.4 Ų121.462%0.61865%0.646SS**Hα-helixtrans-76.1-38.5175.5-74.2168.3000111.9S103 V107 M108 V109S103-L105 PolarHBondContact O-N 3.28Å; L105-V107 VanDerWaalsContact C-N 3.35Å; L105-M108 PolarHBondContact O-N 2.94Å; L105-V109 WeakPolarHBondContact O-CB 3Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 2.87Å
106E57.8Low52.9Low147 Ų147120.1 Ų120.169%0.68765%0.65SS**Hα-helixtrans-65-39.8172.1-75.6-156.1149.900111.9K102 S103 V109 Q110K102-E106 PolarHBondContact O-N 2.74Å; S103-E106 PolarHBondContact O-N 2.71Å; E106-V109 PolarHBondContact O-N 3.35Å; E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 PolarHBondContact O-N 2.86Å
107V57.9Low52.8Low77 Ų77115.6 Ų115.647%0.46765%0.652SS.*Hα-helixtrans-63.6-45.2174.4174.10000110.5S103 L105 V109 Q110 Y111S103-V107 WeakPolarHBondContact O-CB 3.33Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 2.64Å; L105-V107 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 3.34Å; V107-Q110 PolarHBondContact O-N 3.44Å; V107-Y111 HydrophobicContact CG1-CD2 3.61Å; V107-Y111 HydrophobicContact CG1-CE2 3.59Å; V107-Y111 VanDerWaalsContact O-CD2 3.23Å; V107-Y111 WeakPolarHBondContact O-CD2 3.44Å; V107-Y111 PolarHBondContact O-N 3.48Å
108M57.3Low52.6Low129 Ų129118.1 Ų118.164%0.63566%0.657SS**Hα-helixtrans-64.3-37.1175.8-77.6-176.689.300113.3K104 L105 Q110 Y111 M112K104-M108 WeakPolarHBondContact O-CG 3.32Å; K104-M108 PolarHBondContact O-N 2.77Å; L105-M108 PolarHBondContact O-N 2.94Å; M108-Q110 VanDerWaalsContact C-N 3.33Å; M108-Y111 PolarHBondContact O-N 3.45Å; M108-M112 VanDerWaalsContact O-CB 3.32Å; M108-M112 WeakPolarHBondContact O-CB 3.45Å; M108-M112 PolarHBondContact O-N 3.02Å
109V60.3Low52.8Low104 Ų104122 Ų12263%0.6367%0.671SS**Hα-helixtrans-68.4-33.4175.4171.50000111.4L105 E106 V107 M112 S113L105-V109 WeakPolarHBondContact O-CB 3Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 2.87Å; E106-V109 PolarHBondContact O-N 3.35Å; V107-V109 PolarHBondContact O-N 3.34Å; V109-M112 PolarHBondContact O-N 3.41Å; V109-S113 PolarHBondContact O-N 3.17Å; V109-S113 PolarHBondContact O-OG 3.4Å
110Q54.5Low52.6Low138 Ų138127.7 Ų127.765%0.64568%0.676SS**Hα-helixtrans-72.9-36.8174.8-164.2127.12400112.4E106 V107 M108 M112 S113E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 PolarHBondContact O-N 2.86Å; V107-Q110 PolarHBondContact O-N 3.44Å; M108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-M112 VanDerWaalsContact C-N 3.31Å; Q110-M112 PolarHBondContact O-N 2.9Å; Q110-S113 PolarHBondContact O-OG 3.26Å
111Y51.1Low51.9Low182 Ų182131.2 Ų131.271%0.71469%0.686SS**Hα-helixtrans-70.6-24.8173.1-87.4-82.3000113.1V107 M108V107-Y111 HydrophobicContact CG1-CD2 3.61Å; V107-Y111 HydrophobicContact CG1-CE2 3.59Å; V107-Y111 VanDerWaalsContact O-CD2 3.23Å; V107-Y111 WeakPolarHBondContact O-CD2 3.44Å; V107-Y111 PolarHBondContact O-N 3.48Å; M108-Y111 PolarHBondContact O-N 3.45Å
112M52.6Low51.7Low175 Ų175136.9 Ų136.986%0.86270%0.704SS**Hα-helixtrans-89.8-11.9-178.8-150.6158.2176.400113.7M108 V109 Q110M108-M112 VanDerWaalsContact O-CB 3.32Å; M108-M112 WeakPolarHBondContact O-CB 3.45Å; M108-M112 PolarHBondContact O-N 3.02Å; V109-M112 PolarHBondContact O-N 3.41Å; Q110-M112 VanDerWaalsContact C-N 3.31Å; Q110-M112 PolarHBondContact O-N 2.9Å
113S51.8Low51.6Low89 Ų89131.5 Ų131.562%0.62270%0.699SS**SBendtrans-94.7-7.4173.548.40000113.8V109 Q110V109-S113 PolarHBondContact O-N 3.17Å; V109-S113 PolarHBondContact O-OG 3.4Å; Q110-S113 PolarHBondContact O-OG 3.26Å
114V61.1Low50.9Low105 Ų105136.5 Ų136.564%0.63672%0.717SS**SBendtrans-124.580.1179-171.30000110.1
115T47Very low50.3Low123 Ų123142 Ų14276%0.75573%0.734SS**  trans-166.7130.6143.612.50000110.7
116P50.5Low49.4Very low118 Ų118145.9 Ų145.977%0.76674%0.74SS**  trans-71.2149.9178.929.9-32.1000110.6
117A47.7Very low49Very low93 Ų93147.6 Ų147.677%0.76975%0.749SS**  trans-42.4129.6-178.300000113.2L119A117-L119 PolarHBondContact O-N 3.23Å; A117-L119 VanDerWaalsContact O-N 3.09Å
118P47.4Very low48.3Very low112 Ų112153 Ų15373%0.72777%0.769SS**  trans-72109.5172.527.2-30000109.2W120P118-W120 PolarHBondContact O-N 3.01Å; P118-W120 VanDerWaalsContact O-N 3.14Å
119L46.1Very low47.5Very low153 Ų153156.4 Ų156.480%0.80178%0.78SS**  trans-63.1107165.7-155106.6000107.6A117 K121A117-L119 PolarHBondContact O-N 3.23Å; A117-L119 VanDerWaalsContact O-N 3.09Å; L119-K121 PolarHBondContact O-N 3.44Å
120W42.8Very low46.5Very low249 Ų249156.4 Ų156.494%0.94378%0.784SS**  trans-55.9112.4178.6-71.786.4000110.9P118P118-W120 PolarHBondContact O-N 3.01Å; P118-W120 VanDerWaalsContact O-N 3.14Å
121K39.2Very low46.2Very low186 Ų186155.6 Ų155.681%0.80979%0.791SS**  trans-116.3119.8165.7-84.8-83.4-175.8174.40109L119L119-K121 PolarHBondContact O-N 3.44Å
122H44.3Very low45.9Very low196 Ų196155.2 Ų155.291%0.90780%0.796SS**  trans-45.6133.8175.5-111.8-100.2000114
123G49.9Very low45.3Very low67 Ų67153.1 Ų153.169%0.69179%0.793SS**  trans70.7104142.500000118.3
124E38.7Very low44.9Very low154 Ų154158 Ų15872%0.7281%0.806SS**  trans-165.6108.6137.9-82-137133.200108.6R126E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 IonicContact OE2-CZ 2.65Å; E124-R126 IonicContact OE2-NE 3.73Å; E124-R126 IonicContact OE2-NH2 2.86Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å
125W41.2Very low43.9Very low268 Ų268157.5 Ų157.5100%1.01581%0.813SS**  trans-86.695165.2-73.2100.7000108.2
126R37.5Very low43.5Very low198 Ų198163.4 Ų163.475%0.74784%0.84SS**  trans-100.4100.7172.4-144.1-171.7-67.2-140.7-1110.2E124 Q128E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 IonicContact OE2-CZ 2.65Å; E124-R126 IonicContact OE2-NE 3.73Å; E124-R126 IonicContact OE2-NH2 2.86Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å; R126-Q128 PolarHBondContact O-N 3Å
127Q50Low43.2Very low184 Ų184165.7 Ų165.786%0.8684%0.844SS**  trans-49.6113.4162.7-74.6-87.1700109.8
128Q42.1Very low42.9Very low190 Ų190169.5 Ų169.589%0.88885%0.848SS**  trans-104101.5168.2-123.4178.5-4.400109.1R126R126-Q128 PolarHBondContact O-N 3Å
129K42.5Very low42.7Very low200 Ų200172.7 Ų172.787%0.8785%0.854SS**  trans-54.3139.2172.8-100.2175.5174.4178.70111.7
130S37.7Very low42.5Very low104 Ų104173.8 Ų173.873%0.72786%0.858SS**  trans-57.4140.9164.6-169.80000111.5E132S130-E132 PolarHBondContact O-N 3.35Å
131P48.2Very low42.5Very low122 Ų122169.1 Ų169.179%0.79285%0.852SS**  trans-85.9108.1179.432.6-28.8000110.3
132E45.4Very low42.7Very low174 Ų174168 Ų16881%0.81386%0.855SS**  trans-132.8140.5160.6-77.3-162.5150.700111.2S130S130-E132 PolarHBondContact O-N 3.35Å
133T40.6Very low42.6Very low130 Ų130166 Ų16680%0.79885%0.851SS**  trans99.792.6161.5-38.50000116
134Q42Very low42Very low191 Ų191173.6 Ų173.689%0.89386%0.864SS**  trans-52.8130.7144.7-67.1175.1-16.100110.1
135A41.5Very low42.3Very low95 Ų95175.3 Ų175.379%0.78588%0.876SS**  trans-177.8130.6140.400000111.3
136N38.5Very low42.4Very low247 Ų247166.8 Ų166.8100%1.32186%0.863SS**  trans81.20166.4-116.3-4.6000118.4

Retrieved 136 of 136 residues in 62.4 ms (Link to these results)