A0A061AKT4_CAEEL Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AKT4, Species CAEEL (Caenorhabditis elegans), Gene eps-8, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M60.8Low66.4Low216 Ų216142.1 Ų142.1100%1.06467%0.669SS**  0-42.50-131.5-176.8-68.700111.4L4 L5M1-L4 PolarHBondContact O-N 3.21Å; M1-L5 PolarHBondContact O-N 2.9Å
2E63.9Low65.8Low145 Ų145142.2 Ų142.268%0.67867%0.669SS**Hα-helixtrans-63.1-40.4177.6-108.8-179.8124.500115.2L4 L5 R6E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.46Å; E2-L5 PolarHBondContact O-N 3.1Å; E2-R6 PolarHBondContact O-N 3.29Å
3E68.4Low65.1Low170 Ų170141.5 Ų141.579%0.79467%0.665SS**Hα-helixtrans-67-33.9179.9-77.2-17110600113L5 R6 M7E3-L5 VanDerWaalsContact C-N 3.32Å; E3-R6 PolarHBondContact O-N 3.33Å; E3-M7 WeakPolarHBondContact O-CB 3.49Å; E3-M7 PolarHBondContact O-N 2.89Å
4L63.5Low64.5Low124 Ų124144.9 Ų144.965%0.64968%0.677SS**Hα-helixtrans-70-34.1177.7-128.9148.9000111.1M1 E2 Q8M1-L4 PolarHBondContact O-N 3.21Å; E2-L4 VanDerWaalsContact C-N 3.32Å; E2-L4 PolarHBondContact O-N 3.46Å; L4-Q8 VanDerWaalsContact O-CB 3.31Å; L4-Q8 WeakPolarHBondContact O-CB 3.45Å; L4-Q8 PolarHBondContact O-N 3.31Å
5L68.3Low63.3Low109 Ų109146.5 Ų146.557%0.57168%0.684SS**Hα-helixtrans-70.2-40.4173.2-161.673000111.5M1 E2 E3 Q8 Q9M1-L5 PolarHBondContact O-N 2.9Å; E2-L5 PolarHBondContact O-N 3.1Å; E3-L5 VanDerWaalsContact C-N 3.32Å; L5-Q8 PolarHBondContact O-N 3.1Å; L5-Q9 VanDerWaalsContact O-CB 3.27Å; L5-Q9 WeakPolarHBondContact O-CB 3.4Å; L5-Q9 PolarHBondContact O-N 3.11Å
6R71.9Confident62.5Low176 Ų176150.4 Ų150.466%0.66469%0.691SS**Hα-helixtrans-65.1-40.7173.8-74-172.2-179.7-169.12.4111.9E2 E3 Q9 Q10E2-R6 PolarHBondContact O-N 3.29Å; E3-R6 PolarHBondContact O-N 3.33Å; R6-Q9 PolarHBondContact O-N 2.94Å; R6-Q10 WeakPolarHBondContact O-CB 3.25Å; R6-Q10 PolarHBondContact O-N 3.18Å
7M69.9Low61.8Low108 Ų108152.9 Ų152.953%0.53270%0.7SS.*Hα-helixtrans-69.6-36.6178.7-156.7175.878.500112E3 Q10 Q11E3-M7 WeakPolarHBondContact O-CB 3.49Å; E3-M7 PolarHBondContact O-N 2.89Å; M7-Q10 PolarHBondContact O-N 3.14Å; M7-Q11 PolarHBondContact O-N 3.16Å
8Q69.8Low61.5Low116 Ų116150.3 Ų150.354%0.54270%0.699SS.*Hα-helixtrans-67.7-40.7172.8-173.7173.488.500111.6L4 L5 Q10 Q11 Q12L4-Q8 VanDerWaalsContact O-CB 3.31Å; L4-Q8 WeakPolarHBondContact O-CB 3.45Å; L4-Q8 PolarHBondContact O-N 3.31Å; L5-Q8 PolarHBondContact O-N 3.1Å; Q8-Q10 VanDerWaalsContact C-N 3.29Å; Q8-Q10 PolarHBondContact O-N 3.49Å; Q8-Q11 PolarHBondContact O-N 3.43Å; Q8-Q12 WeakPolarHBondContact O-CB 3.44Å; Q8-Q12 PolarHBondContact O-N 3.03Å
9Q66.6Low61Low123 Ų123148.7 Ų148.758%0.57570%0.703SS**Hα-helixtrans-65.7-34.4175.9-167.3164.893.600111.8L5 R6 Q12 Q13L5-Q9 VanDerWaalsContact O-CB 3.27Å; L5-Q9 WeakPolarHBondContact O-CB 3.4Å; L5-Q9 PolarHBondContact O-N 3.11Å; R6-Q9 PolarHBondContact O-N 2.94Å; Q9-Q12 PolarHBondContact O-N 3.29Å; Q9-Q13 PolarHBondContact O-N 2.63Å; Q9-Q13 VanDerWaalsContact O-N 3.13Å
10Q64.6Low60.9Low147 Ų147147.8 Ų147.869%0.68771%0.707SS**Hα-helixtrans-74.7-34.6177.1-149.5163.558.300112.6R6 M7 Q8 K14R6-Q10 WeakPolarHBondContact O-CB 3.25Å; R6-Q10 PolarHBondContact O-N 3.18Å; M7-Q10 PolarHBondContact O-N 3.14Å; Q8-Q10 VanDerWaalsContact C-N 3.29Å; Q8-Q10 PolarHBondContact O-N 3.49Å; Q10-K14 PolarHBondContact O-N 2.96Å
11Q62.2Low60.9Low129 Ų129149.2 Ų149.260%0.60371%0.713SS**Hα-helixtrans-68.2-33.9170.5-79.2-176.514.400112.6M7 Q8 K14M7-Q11 PolarHBondContact O-N 3.16Å; Q8-Q11 PolarHBondContact O-N 3.43Å; Q11-K14 PolarHBondContact O-N 3.4Å
12Q59.9Low60.6Low143 Ų143146.9 Ų146.967%0.66870%0.7SS**Hα-helixtrans-74.7-30.1179.9-155.8146.373.400112.6Q8 Q9Q8-Q12 WeakPolarHBondContact O-CB 3.44Å; Q8-Q12 PolarHBondContact O-N 3.03Å; Q9-Q12 PolarHBondContact O-N 3.29Å
13Q56.5Low60.3Low133 Ų133145.3 Ų145.362%0.62170%0.702SS**Hα-helixtrans-70.1-31.4169.8-74.2-1776.800112.8Q9 Q15 R16Q9-Q13 PolarHBondContact O-N 2.63Å; Q9-Q13 VanDerWaalsContact O-N 3.13Å; Q13-Q15 PolarHBondContact O-N 3.29Å; Q13-R16 PolarHBondContact O-N 3.43Å
14K56.6Low59.3Low190 Ų190143.2 Ų143.283%0.82670%0.7SS**THydrogen-bonded Turntrans-71.3-13.6-179.6-150.6177.1-176.2-175.60114.1Q10 Q11Q10-K14 PolarHBondContact O-N 2.96Å; Q11-K14 PolarHBondContact O-N 3.4Å
15Q47.2Very low58.9Low169 Ų169147.3 Ų147.379%0.7971%0.709SS**THydrogen-bonded Turntrans-98.81.9177.3-73-149.863.700114.7Q13 K17Q13-Q15 PolarHBondContact O-N 3.29Å; Q15-K17 PolarHBondContact O-N 3.04Å
16R49.8Very low58.3Low208 Ų208149.4 Ų149.479%0.78572%0.716SS**  trans-75.694.5173.3-63.3-174.273.9-169.22.4108.5Q13Q13-R16 PolarHBondContact O-N 3.43Å
17K50.5Low57.4Low194 Ų194146.1 Ų146.184%0.84372%0.717SS**PPolyproline II helixtrans-51.1133.7164.9-62.2-179.3-176.9-178.20107.5Q15Q15-K17 PolarHBondContact O-N 3.04Å
18P56.5Low56.8Low106 Ų106149 Ų14969%0.68873%0.73SS**PPolyproline II helixtrans-57.1149175.724.3-31.3000108.8V20P18-V20 PolarHBondContact O-N 3.14Å; P18-V20 VanDerWaalsContact O-N 3.09Å
19P51.7Low56.1Low119 Ų119149.1 Ų149.177%0.77374%0.74SS**PPolyproline II helixtrans-55.2124170.5-12.626.1000106.5E21P19-E21 PolarHBondContact O-N 3.08Å
20V59.7Low55.7Low131 Ų131147.1 Ų147.179%0.79475%0.745SS**  trans-66.698.8166178.90000104.2P18 E22P18-V20 PolarHBondContact O-N 3.14Å; P18-V20 VanDerWaalsContact O-N 3.09Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 2.9Å
21E60.8Low55.6Low177 Ų177149.1 Ų149.183%0.82775%0.754SS**  trans-56.6107159.7-83.8177.1152.100105.3P19 P23P19-E21 PolarHBondContact O-N 3.08Å; E21-P23 WeakPolarHBondContact O-CD 3.37Å; E21-P23 VanDerWaalsContact O-N 3.14Å
22E54.8Low55.3Low167 Ų167153.8 Ų153.878%0.7877%0.766SS**  trans-55.9121.1165.3-71-169.9164.400105.9V20 V24V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 2.9Å; E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 2.93Å
23P56.6Low55.3Low113 Ų113151.4 Ų151.473%0.73477%0.771SS**  trans-61.2107.2173.924.8-30.7000105.6E21 Y25E21-P23 WeakPolarHBondContact O-CD 3.37Å; E21-P23 VanDerWaalsContact O-N 3.14Å; P23-Y25 VanDerWaalsContact C-N 3.32Å; P23-Y25 PolarHBondContact O-N 3.36Å
24V48.3Very low55.1Low125 Ų125147.9 Ų147.976%0.75877%0.77SS**  trans-54.2108168.3175.10000104.6E22 Q26E22-V24 VanDerWaalsContact C-N 3.33Å; E22-V24 PolarHBondContact O-N 2.93Å; V24-Q26 HydrophobicContact CG1-CG 4.32Å; V24-Q26 PolarHBondContact O-N 3.46Å
25Y54.1Low55Low210 Ų210146.6 Ų146.682%0.82477%0.771SS**  trans-73.176.4178.2-154.8-86.9000106.9P23 P27P23-Y25 VanDerWaalsContact C-N 3.32Å; P23-Y25 PolarHBondContact O-N 3.36Å; Y25-P27 WeakPolarHBondContact O-CD 3.37Å
26Q55.8Low55.6Low153 Ų153146.1 Ų146.172%0.71577%0.769SS**  trans-67120.1155.8-85173.7-1.900105.2V24 Q28V24-Q26 HydrophobicContact CG1-CG 4.32Å; V24-Q26 PolarHBondContact O-N 3.46Å; Q26-Q28 PolarHBondContact O-N 3.23Å
27P53.6Low56.1Low107 Ų107143 Ų14370%0.69577%0.767SS**  trans-62.396167.526.4-30000105.9Y25 P29Y25-P27 WeakPolarHBondContact O-CD 3.37Å; P27-P29 WeakPolarHBondContact O-CD 3.32Å
28Q58Low56.2Low170 Ų170144 Ų14479%0.79477%0.765SS**  trans-55.1124157.4-70.8175.6-5.300103.8Q26 A30Q26-Q28 PolarHBondContact O-N 3.23Å; Q28-A30 PolarHBondContact O-N 2.9Å
29P54.8Low56.2Low117 Ų117149.1 Ų149.176%0.7677%0.771SS**  trans-58.9101168.724.4-29000103.7P27 Q31P27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-Q31 PolarHBondContact O-N 3.04Å
30A58.2Low56.5Low82 Ų82155 Ų15568%0.67878%0.778SS**  trans-51.1109.8163.900000102.1Q28 R32Q28-A30 PolarHBondContact O-N 2.9Å; A30-R32 PolarHBondContact O-N 3.31Å
31Q62.8Low56.6Low188 Ų188152.6 Ų152.688%0.87976%0.76SS**  trans-58.594163.2-70.9-174.3-7.400101.4P29 A33P29-Q31 PolarHBondContact O-N 3.04Å; Q31-A33 PolarHBondContact O-N 3.39Å
32R55.8Low56.5Low227 Ų227151.8 Ų151.886%0.85776%0.757SS**  trans-43.5118.5174.4-79.6-178.4154.9169.8-4.4102.5A30 G34A30-R32 PolarHBondContact O-N 3.31Å; R32-G34 WeakPolarHBondContact O-CA 3.46Å; R32-G34 PolarHBondContact O-N 3.07Å
33A59.6Low56.9Low94 Ų94148 Ų14878%0.77774%0.742SS**  trans-43.7106.1177.900000104.6Q31 L35Q31-A33 PolarHBondContact O-N 3.39Å; A33-L35 VanDerWaalsContact C-N 3.34Å; A33-L35 PolarHBondContact O-N 3.47Å
34G51.3Low57.4Low58 Ų58147.1 Ų147.160%0.59874%0.736SS**  trans-61.6113.3-17100000101.9R32 E36R32-G34 WeakPolarHBondContact O-CA 3.46Å; R32-G34 PolarHBondContact O-N 3.07Å; G34-E36 PolarHBondContact O-N 2.97Å
35L54.3Low58.3Low163 Ų163148.4 Ų148.485%0.85373%0.734SS**  trans-6387.5152.3-77.5158.5000102.1A33 I37A33-L35 VanDerWaalsContact C-N 3.34Å; A33-L35 PolarHBondContact O-N 3.47Å; L35-I37 PolarHBondContact O-N 2.9Å
36E60.6Low59Low159 Ų159142.9 Ų142.974%0.74372%0.718SS**  trans-56.988.6160.6-73.4-93.9139.200102.4G34 W38G34-E36 PolarHBondContact O-N 2.97Å; E36-W38 PolarHBondContact O-N 3.18Å
37I59.9Low59.6Low143 Ų143139.4 Ų139.473%0.73370%0.703SS**  trans-62.294.5165.8-58.3170.5000101.3L35 R39L35-I37 PolarHBondContact O-N 2.9Å; I37-R39 PolarHBondContact O-N 3.45Å
38W53.4Low60.3Low214 Ų214139.4 Ų139.481%0.81169%0.694SS**  trans-53.596.1157.3-74.986.1000103.2E36 R40E36-W38 PolarHBondContact O-N 3.18Å; W38-R40 PolarHBondContact O-N 3.16Å
39R56.5Low60.8Low215 Ų215137.1 Ų137.181%0.81168%0.683SS**  trans-5995.7164-85.4-157.4-73173.8-4.6102.4I37 N41I37-R39 PolarHBondContact O-N 3.45Å; R39-N41 PolarHBondContact O-N 3Å
40R57.2Low61.4Low243 Ų243135.6 Ų135.692%0.91767%0.672SS**  trans-69.669.7172-176.6175.8-70.6154.1-0.8105.6W38W38-R40 PolarHBondContact O-N 3.16Å
41N61.7Low61.8Low79 Ų79135.4 Ų135.442%0.42266%0.662SS.*  trans-145.174.1174.7-156.4-25.4000107.5R39 N43 I47R39-N41 PolarHBondContact O-N 3Å; N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact OD1-O 2.97Å; N41-I47 VanDerWaalsContact ND2-CD1 3.32Å; N41-I47 WeakPolarHBondContact ND2-CD1 3.14Å; N41-I47 WeakPolarHBondContact ND2-CG1 3.42Å
42Q59.5Low62Low161 Ų161131.7 Ų131.775%0.75265%0.645SS**  trans-86.93.7176.5-70.5-88.3-51.100111.6
43N63.7Low62.2Low87 Ų87125.1 Ų125.147%0.46563%0.63SS.*  trans-130.594.9-172.3-69.6-53.2000110.2N41 Q45 L46 I47N41-N43 VanDerWaalsContact C-N 3.26Å; N41-N43 PolarHBondContact OD1-O 2.97Å; N43-Q45 PolarHBondContact O-N 3.45Å; N43-Q45 VanDerWaalsContact O-N 3.13Å; N43-L46 HydrophobicContact CB-CB 4.11Å; N43-L46 HydrophobicContact CB-CD1 3.74Å; N43-L46 HydrophobicContact CB-CG 4.49Å; N43-L46 WeakPolarHBondContact O-CB 3.04Å; N43-L46 PolarHBondContact O-N 3.37Å; N43-I47 PolarHBondContact O-N 3.09Å
44P67.1Low62.2Low94 Ų94124 Ų12461%0.6161%0.613SS**Hα-helixtrans-58.7-25.5174.924.6-33.8000112.3L46 I47 Q48P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.04Å; P44-I47 PolarHBondContact O-N 2.9Å; P44-Q48 WeakPolarHBondContact O-CB 3.42Å; P44-Q48 PolarHBondContact O-N 2.91Å
45Q67.4Low62.3Low153 Ų153123.3 Ų123.372%0.71561%0.607SS**Hα-helixtrans-65.4-34.1175-59.3-178.340.800112.7N43 Q48 E49N43-Q45 PolarHBondContact O-N 3.45Å; N43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-Q48 PolarHBondContact O-N 2.99Å; Q45-E49 WeakPolarHBondContact O-CB 3.14Å; Q45-E49 PolarHBondContact O-N 3.36Å
46L68.8Low62.3Low94 Ų94124 Ų12449%0.49261%0.606SS.*Hα-helixtrans-70-38.5174.5-103.986.1000111.5N43 P44 Q48 V50N43-L46 HydrophobicContact CB-CB 4.11Å; N43-L46 HydrophobicContact CB-CD1 3.74Å; N43-L46 HydrophobicContact CB-CG 4.49Å; N43-L46 WeakPolarHBondContact O-CB 3.04Å; N43-L46 PolarHBondContact O-N 3.37Å; P44-L46 VanDerWaalsContact C-N 3.34Å; P44-L46 PolarHBondContact O-N 3.04Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-V50 WeakPolarHBondContact O-CB 3.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.31Å
47I67.1Low62Low79 Ų79121.5 Ų121.541%0.40559%0.594SS.*Hα-helixtrans-61.9-45.6174.1-59.6174.5000108.9N41 N43 P44 V50 T51N41-I47 VanDerWaalsContact ND2-CD1 3.32Å; N41-I47 WeakPolarHBondContact ND2-CD1 3.14Å; N41-I47 WeakPolarHBondContact ND2-CG1 3.42Å; N43-I47 PolarHBondContact O-N 3.09Å; P44-I47 PolarHBondContact O-N 2.9Å; I47-V50 PolarHBondContact O-N 3.14Å; I47-T51 HydrophobicContact CG2-CG2 4.05Å; I47-T51 WeakPolarHBondContact O-CB 3.34Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.32Å; I47-T51 PolarHBondContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.02Å
48Q68.8Low61.6Low107 Ų107119.6 Ų119.650%0.559%0.593SS.*Hα-helixtrans-59.6-50.3179.6-175.2170.54.300111.4P44 Q45 L46 V50 T51 E52P44-Q48 WeakPolarHBondContact O-CB 3.42Å; P44-Q48 PolarHBondContact O-N 2.91Å; Q45-Q48 PolarHBondContact O-N 2.99Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; Q48-V50 PolarHBondContact O-N 3.17Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.49Å; Q48-T51 CarbonylContact O-C 3.57Å; Q48-T51 PolarHBondContact O-N 3.42Å; Q48-T51 VanDerWaalsContact O-N 3.14Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; Q48-E52 HydrophobicContact CG-CG 4.27Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.03Å; Q48-E52 WeakPolarHBondContact O-CB 3.1Å; Q48-E52 VanDerWaalsContact O-CG 3.25Å; Q48-E52 WeakPolarHBondContact O-CG 3.45Å; Q48-E52 PolarHBondContact O-N 3.49Å
49E67.3Low61.8Low122 Ų122112.8 Ų112.857%0.5759%0.589SS**Hα-helixtrans-57.3-46.7175.7-173.5-167.1161.100111.8Q45 T51 E52 T53Q45-E49 WeakPolarHBondContact O-CB 3.14Å; Q45-E49 PolarHBondContact O-N 3.36Å; E49-T51 PolarHBondContact O-N 3.29Å; E49-E52 PolarHBondContact O-N 3.24Å; E49-T53 WeakPolarHBondContact O-CB 3.2Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-T53 PolarHBondContact O-OG1 2.96Å
50V68.5Low61.8Low85 Ų85108.8 Ų108.852%0.51558%0.584SS.*Hα-helixtrans-62.7-42.9176.8172.50000110.5L46 I47 Q48 T53 V54L46-V50 WeakPolarHBondContact O-CB 3.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.48Å; L46-V50 PolarHBondContact O-N 3.31Å; I47-V50 PolarHBondContact O-N 3.14Å; Q48-V50 PolarHBondContact O-N 3.17Å; V50-T53 PolarHBondContact O-N 3.06Å; V50-V54 HydrophobicContact CG1-CG2 3.93Å; V50-V54 WeakPolarHBondContact O-CA 3.45Å; V50-V54 WeakPolarHBondContact O-CB 3.49Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 3.3Å
51T65.8Low61.9Low78 Ų78104.1 Ų104.148%0.47958%0.576SS.*Hα-helixtrans-72.4-29.5179.256.30000113.6I47 Q48 E49 G55I47-T51 HydrophobicContact CG2-CG2 4.05Å; I47-T51 WeakPolarHBondContact O-CB 3.34Å; I47-T51 VanDerWaalsContact O-CG2 3.26Å; I47-T51 WeakPolarHBondContact O-CG2 3.32Å; I47-T51 PolarHBondContact O-N 3.08Å; I47-T51 PolarHBondContact O-OG1 3.02Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.49Å; Q48-T51 CarbonylContact O-C 3.57Å; Q48-T51 PolarHBondContact O-N 3.42Å; Q48-T51 VanDerWaalsContact O-N 3.14Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; E49-T51 PolarHBondContact O-N 3.29Å; T51-G55 VanDerWaalsContact O-CA 3.26Å; T51-G55 WeakPolarHBondContact O-CA 3.46Å; T51-G55 PolarHBondContact O-N 3.26Å
52E67.4Low61.6Low111 Ų111107.9 Ų107.952%0.51960%0.595SS.*Hα-helixtrans-71-38.5173.9-74.8172.6-176.500110.1Q48 E49Q48-E52 HydrophobicContact CG-CG 4.27Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.44Å; Q48-E52 PolarHBondContact NE2-OE1 3.03Å; Q48-E52 WeakPolarHBondContact O-CB 3.1Å; Q48-E52 VanDerWaalsContact O-CG 3.25Å; Q48-E52 WeakPolarHBondContact O-CG 3.45Å; Q48-E52 PolarHBondContact O-N 3.49Å; E49-E52 PolarHBondContact O-N 3.24Å
53T60.6Low61.3Low88 Ų88110.1 Ų110.154%0.5460%0.597SS.*Hα-helixtrans-78.2-35.3177.3-40.20000112.2E49 V50 H57E49-T53 WeakPolarHBondContact O-CB 3.2Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-T53 PolarHBondContact O-OG1 2.96Å; V50-T53 PolarHBondContact O-N 3.06Å; T53-H57 PolarHBondContact O-CD2 3.05Å
54V58.8Low60.7Low70 Ų70111.2 Ų111.242%0.42461%0.608SS.*Hα-helixtrans-85.3-32.9-179.1164.80000113.5V50 Q56 H57V50-V54 HydrophobicContact CG1-CG2 3.93Å; V50-V54 WeakPolarHBondContact O-CA 3.45Å; V50-V54 WeakPolarHBondContact O-CB 3.49Å; V50-V54 WeakPolarHBondContact O-CG2 3.38Å; V50-V54 PolarHBondContact O-N 3.3Å; V54-Q56 VanDerWaalsContact C-N 3.3Å; V54-Q56 PolarHBondContact O-N 3.49Å; V54-H57 VanDerWaalsContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CG2-NE2 3.48Å; V54-H57 CarbonylContact O-C 3.46Å; V54-H57 PolarHBondContact O-N 3.38Å; V54-H57 PolarHBondContact O-ND1 2.94Å
55G53Low60Low45 Ų45112 Ų11246%0.46462%0.623SS.*Hα-helixtrans-70.1-27179.700000113.1T51 S58T51-G55 VanDerWaalsContact O-CA 3.26Å; T51-G55 WeakPolarHBondContact O-CA 3.46Å; T51-G55 PolarHBondContact O-N 3.26Å; G55-S58 PolarHBondContact O-OG 2.84Å; G55-S58 VanDerWaalsContact O-OG 3.11Å
56Q55Low59.5Low178 Ų178111.2 Ų111.283%0.83262%0.621SS**Hα-helixtrans-75.8-29.7173.4-74.2-178.7-13.700112.7V54 S58V54-Q56 VanDerWaalsContact C-N 3.3Å; V54-Q56 PolarHBondContact O-N 3.49Å; Q56-S58 PolarHBondContact O-N 3.43Å
57H54Low58.7Low106 Ų106113.1 Ų113.149%0.49163%0.627SS.*SBendtrans-90.957.7170.77065000110.5T53 V54 G59T53-H57 PolarHBondContact O-CD2 3.05Å; V54-H57 VanDerWaalsContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CA-NE2 3.35Å; V54-H57 WeakPolarHBondContact CG2-NE2 3.48Å; V54-H57 CarbonylContact O-C 3.46Å; V54-H57 PolarHBondContact O-N 3.38Å; V54-H57 PolarHBondContact O-ND1 2.94Å; H57-G59 PolarHBondContact O-N 3.31Å
58S53Low57.9Low102 Ų102117.9 Ų117.971%0.71364%0.64SS**  trans-56.5103.5168.8-730000110G55 Q56 D60G55-S58 PolarHBondContact O-OG 2.84Å; G55-S58 VanDerWaalsContact O-OG 3.11Å; Q56-S58 PolarHBondContact O-N 3.43Å; S58-D60 PolarHBondContact O-N 3.19Å
59G56.8Low57.1Low71 Ų71117.1 Ų117.173%0.73265%0.652SS**SBendtrans96.3-20.4153.300000118.7H57 I61H57-G59 PolarHBondContact O-N 3.31Å; G59-I61 PolarHBondContact O-N 3.29Å; G59-I61 VanDerWaalsContact O-N 3.15Å
60D56.9Low56.5Low132 Ų132112.2 Ų112.271%0.70663%0.631SS**  trans-92.583.7179-69.8-37.1000110.1S58 L62S58-D60 PolarHBondContact O-N 3.19Å; D60-L62 PolarHBondContact O-N 2.94Å
61I58.3Low56.2Low145 Ų145119.9 Ų119.974%0.74465%0.65SS**  trans-50.3109.5142.3-60-174.6000103.2G59 R63G59-I61 PolarHBondContact O-N 3.29Å; G59-I61 VanDerWaalsContact O-N 3.15Å; I61-R63 HydrophobicContact CG2-CG 4.13Å; I61-R63 PolarHBondContact O-N 3.08Å
62L55.3Low56.5Low158 Ų158117.7 Ų117.783%0.82764%0.636SS**  trans-63.573.2161.4-60.9-179000105.6D60 P64D60-L62 PolarHBondContact O-N 2.94Å; L62-P64 WeakPolarHBondContact O-CD 3.38Å; L62-P64 VanDerWaalsContact O-N 3.16Å
63R54Low56.9Low208 Ų208114.9 Ų114.979%0.78563%0.632SS**  trans-45.4124.2151.5-76.5179.6156.6-166.8-4.8102I61 A65I61-R63 HydrophobicContact CG2-CG 4.13Å; I61-R63 PolarHBondContact O-N 3.08Å; R63-A65 PolarHBondContact O-N 3.06Å
64P50.1Low57.8Low109 Ų109110.9 Ų110.971%0.70861%0.608SS**  trans-42.2126167.2-25.132.2000106.1L62 M66L62-P64 WeakPolarHBondContact O-CD 3.38Å; L62-P64 VanDerWaalsContact O-N 3.16Å; P64-M66 HydrophobicContact CB-CB 4.22Å; P64-M66 WeakPolarHBondContact O-CA 3.4Å; P64-M66 PolarHBondContact O-N 3.15Å
65A52.3Low58.8Low111 Ų111111.3 Ų111.392%0.91761%0.608SS**SBendtrans-62.875.8178.400000107.8R63R63-A65 PolarHBondContact O-N 3.06Å
66M56.8Low60Low137 Ų137114.6 Ų114.668%0.67561%0.611SS**  trans-153.279.1-168.6-164.473.1150.100100.8P64P64-M66 HydrophobicContact CB-CB 4.22Å; P64-M66 WeakPolarHBondContact O-CA 3.4Å; P64-M66 PolarHBondContact O-N 3.15Å
67Q52.2Low61.2Low133 Ų133115.4 Ų115.462%0.62161%0.612SS**  -148.5133.572.2-75.4144.98.600109A69Q67-A69 PolarHBondContact O-N 2.81Å
68R51.8Low62.6Low179 Ų179110.9 Ų110.968%0.67559%0.592SS**  trans-43.9117153-73.3174.857.9175.8-5.4106.2T70 E89R68-T70 PolarHBondContact O-N 3.26Å; R68-E89 IonicContact NH2-OE1 3.72Å; R68-E89 PolarHBondContact NH2-OE1 3.22Å
69A50.5Low64.2Low91 Ų91108.9 Ų108.975%0.75258%0.578SS**  trans-59.494171.800000106.3Q67 R71Q67-A69 PolarHBondContact O-N 2.81Å; A69-R71 PolarHBondContact O-N 2.91Å
70T55.3Low65.6Low20 Ų20107.2 Ų107.212%0.12355%0.554CS.*  trans-64.8112.1178.850.90000106.1R68 V72 E89 K90R68-T70 PolarHBondContact O-N 3.26Å; T70-V72 PolarHBondContact O-N 3.43Å; T70-E89 HydrophobicContact CG2-CG 4.27Å; T70-K90 HydrophobicContact CG2-CD 3.5Å; T70-K90 VanDerWaalsContact CG2-CD 3.5Å; T70-K90 HydrophobicContact CG2-CG 4.1Å; T70-K90 VanDerWaalsContact CG2-NZ 3.28Å; T70-K90 WeakPolarHBondContact OG1-CE 3.19Å; T70-K90 PolarHBondContact OG1-NZ 3.12Å
71R62Low67Low245 Ų245108.6 Ų108.693%0.92556%0.557SS**SBendtrans-62.8-24.3178.5-67.9-176.8176.5-137.70.9111.1A69A69-R71 PolarHBondContact O-N 2.91Å
72V71.3Confident68.3Low32 Ų32105 Ų10519%0.19454%0.539CS..  trans-89.2125.1176.6-168.20000109.3T70 W86 E89T70-V72 PolarHBondContact O-N 3.43Å; V72-W86 HydrophobicContact CG1-CB 3.98Å; V72-W86 HydrophobicContact CG1-CG 4.49Å; V72-W86 PolarHBondContact O-NE1 3.4Å; V72-E89 HydrophobicContact CG2-CG 4.37Å
73A76.2Confident69.7Low52 Ų5297.4 Ų97.443%0.4350%0.499SS..  trans-124.6137.3171.900000107.9
74I80.8Confident71.3Confident5 Ų588.4 Ų88.43%0.02647%0.467CS..  trans-103.4148.6177.857167.3000110.5V83 W86 L108 F109 L132 Q135I74-V83 HydrophobicContact CG2-CG2 4.49Å; I74-W86 HydrophobicContact CB-CG 4.44Å; I74-W86 HydrophobicContact CD1-CD2 3.82Å; I74-W86 HydrophobicContact CD1-CE3 3.63Å; I74-W86 HydrophobicContact CD1-CG 4.41Å; I74-W86 HydrophobicContact CD1-CH2 4.26Å; I74-W86 HydrophobicContact CD1-CZ2 4.43Å; I74-W86 HydrophobicContact CD1-CZ3 3.86Å; I74-W86 HydrophobicContact CG1-CD2 3.9Å; I74-W86 HydrophobicContact CG1-CE3 4.24Å; I74-W86 HydrophobicContact CG1-CG 4.17Å; I74-W86 HydrophobicContact CG1-CZ2 4.41Å; I74-W86 HydrophobicContact CG2-CB 3.44Å; I74-W86 VanDerWaalsContact CG2-CB 3.44Å; I74-W86 HydrophobicContact CG2-CD2 4.11Å; I74-W86 HydrophobicContact CG2-CG 3.54Å; I74-L108 HydrophobicContact CD1-CD2 4.04Å; I74-F109 HydrophobicContact CD1-CE2 4.36Å; I74-F109 HydrophobicContact CD1-CZ 4.49Å; I74-F109 HydrophobicContact CG1-CE2 4.32Å; I74-F109 HydrophobicContact CG1-CZ 4.28Å; I74-L132 HydrophobicContact CD1-CD1 4.23Å; I74-Q135 HydrophobicContact CG1-CG 4.47Å
75N80.1Confident73.1Confident79 Ų7990.7 Ų90.742%0.42246%0.462SS..  trans-129.7177175.367.341.7000110K77 S78 F109N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact O-N 3.15Å; N75-K77 VanDerWaalsContact OD1-C 3.29Å; N75-K77 VanDerWaalsContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.22Å; N75-K77 PolarHBondContact OD1-N 2.74Å; N75-S78 PolarHBondContact N-OG 2.75Å; N75-S78 VanDerWaalsContact O-CB 3.28Å; N75-S78 WeakPolarHBondContact O-CB 3.19Å; N75-S78 PolarHBondContact O-N 3.03Å; N75-S78 VanDerWaalsContact O-N 3.08Å; N75-S78 PolarHBondContact O-OG 3.26Å; N75-S78 PolarHBondContact OD1-N 2.84Å; N75-S78 PolarHBondContact OD1-OG 3.45Å; N75-F109 WeakPolarHBondContact O-CE2 3.4Å
76E77.6Confident74.7Confident114 Ų11485.4 Ų85.453%0.53342%0.418SS..THydrogen-bonded Turntrans-61-23.4-178.7-162-179.3152.300113.4A106E76-A106 HydrophobicContact CG-CB 3.99Å; E76-A106 WeakPolarHBondContact O-CA 3.41Å; E76-A106 WeakPolarHBondContact O-CB 3.49Å; E76-A106 PolarHBondContact O-N 2.85Å
77K80.1Confident76.1Confident194 Ų19478.9 Ų78.984%0.84339%0.386SS*.THydrogen-bonded Turntrans-97.68.4179.8-56.5-178179-178.50112.9N75N75-K77 PolarHBondContact O-N 2.95Å; N75-K77 VanDerWaalsContact O-N 3.15Å; N75-K77 VanDerWaalsContact OD1-C 3.29Å; N75-K77 VanDerWaalsContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CA 3.28Å; N75-K77 WeakPolarHBondContact OD1-CB 3.22Å; N75-K77 PolarHBondContact OD1-N 2.74Å
78S82.4Confident77.8Confident12 Ų1278 Ų788%0.08438%0.382CS..  trans-70.9134179.1-70.90000110.9N75 G105N75-S78 PolarHBondContact N-OG 2.75Å; N75-S78 VanDerWaalsContact O-CB 3.28Å; N75-S78 WeakPolarHBondContact O-CB 3.19Å; N75-S78 PolarHBondContact O-N 3.03Å; N75-S78 VanDerWaalsContact O-N 3.08Å; N75-S78 PolarHBondContact O-OG 3.26Å; N75-S78 PolarHBondContact OD1-N 2.84Å; N75-S78 PolarHBondContact OD1-OG 3.45Å; S78-G105 PolarHBondContact O-N 3.02Å
79S86.4Confident79.3Confident59 Ų5972.9 Ų72.941%0.41337%0.366SS..  trans-63.8158.5172.8-640000111.1E81 D82 V83S79-E81 PolarHBondContact O-N 3.2Å; S79-D82 WeakPolarHBondContact O-CB 3.45Å; S79-D82 PolarHBondContact O-N 2.99Å; S79-D82 VanDerWaalsContact O-N 3.07Å; S79-V83 PolarHBondContact O-N 3.18Å
80P86.4Confident80.7Confident37 Ų3770 Ų7024%0.2434%0.336CS..Hα-helixtrans-64.8-32.7-178.825.3-28.9000111.1D82 V83 T84 D104P80-D82 VanDerWaalsContact C-N 3.32Å; P80-D82 PolarHBondContact O-N 3.4Å; P80-V83 WeakPolarHBondContact O-CB 3.37Å; P80-V83 PolarHBondContact O-N 2.88Å; P80-T84 PolarHBondContact O-N 3.4Å; P80-T84 PolarHBondContact O-OG1 2.82Å; P80-T84 VanDerWaalsContact O-OG1 3.11Å; P80-D104 VanDerWaalsContact CD-OD1 3.25Å; P80-D104 WeakPolarHBondContact CD-OD1 3.42Å
81E86.7Confident82Confident161 Ų16172.2 Ų72.275%0.75236%0.362SS*.Hα-helixtrans-60.6-39173.2-61-175.1100.500112.7S79 V83 T84 R85S79-E81 PolarHBondContact O-N 3.2Å; E81-V83 VanDerWaalsContact C-N 3.34Å; E81-T84 PolarHBondContact O-N 3.08Å; E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 3.16Å
82D85.9Confident83.1Confident68 Ų6861.1 Ų61.136%0.36432%0.321SS..Hα-helixtrans-69.1-35.3177.1-71.8-40.3000111.5S79 P80 W86S79-D82 WeakPolarHBondContact O-CB 3.45Å; S79-D82 PolarHBondContact O-N 2.99Å; S79-D82 VanDerWaalsContact O-N 3.07Å; P80-D82 VanDerWaalsContact C-N 3.32Å; P80-D82 PolarHBondContact O-N 3.4Å; D82-W86 WeakPolarHBondContact O-CB 3.47Å; D82-W86 PolarHBondContact O-N 3.43Å
83V85.2Confident83.9Confident0 Ų061.6 Ų61.60%033%0.326CS..Hα-helixtrans-65.3-48.2174.9173.80000110.4I74 S79 P80 E81 R85 W86 L87 L108I74-V83 HydrophobicContact CG2-CG2 4.49Å; S79-V83 PolarHBondContact O-N 3.18Å; P80-V83 WeakPolarHBondContact O-CB 3.37Å; P80-V83 PolarHBondContact O-N 2.88Å; E81-V83 VanDerWaalsContact C-N 3.34Å; V83-R85 PolarHBondContact O-N 2.93Å; V83-W86 WeakPolarHBondContact O-CB 3.28Å; V83-W86 PolarHBondContact O-N 3.22Å; V83-W86 VanDerWaalsContact O-N 3.16Å; V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.26Å; V83-L108 HydrophobicContact CG1-CD2 3.52Å
84T86.8Confident84.3Confident19 Ų1963.5 Ų63.512%0.11733%0.334CS..Hα-helixtrans-58.9-46.7176.6-58.70000110.9P80 E81 W86 L87 Q88 I97 D101P80-T84 PolarHBondContact O-N 3.4Å; P80-T84 PolarHBondContact O-OG1 2.82Å; P80-T84 VanDerWaalsContact O-OG1 3.11Å; E81-T84 PolarHBondContact O-N 3.08Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 2.99Å; T84-L87 PolarHBondContact O-N 2.97Å; T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.44Å; T84-I97 HydrophobicContact CG2-CG2 3.58Å; T84-D101 PolarHBondContact OG1-OD1 2.79Å
85R87.4Confident84.6Confident157 Ų15770.9 Ų70.959%0.59236%0.361SS*.Hα-helixtrans-62-38.6176.2-171.3179.3-173.2177.55.5112.5E81 V83 Q88 E89E81-R85 WeakPolarHBondContact O-CB 3.37Å; E81-R85 PolarHBondContact O-N 3.16Å; V83-R85 PolarHBondContact O-N 2.93Å; R85-Q88 PolarHBondContact O-N 2.72Å; R85-E89 WeakPolarHBondContact O-CB 3.42Å; R85-E89 PolarHBondContact O-N 2.96Å
86W87Confident84.7Confident0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-67.1-40.8177.5178.181.9000112.4V72 I74 D82 V83 T84 Q88 E89 K90 F92 L128 Q131 L132V72-W86 HydrophobicContact CG1-CB 3.98Å; V72-W86 HydrophobicContact CG1-CG 4.49Å; V72-W86 PolarHBondContact O-NE1 3.4Å; I74-W86 HydrophobicContact CB-CG 4.44Å; I74-W86 HydrophobicContact CD1-CD2 3.82Å; I74-W86 HydrophobicContact CD1-CE3 3.63Å; I74-W86 HydrophobicContact CD1-CG 4.41Å; I74-W86 HydrophobicContact CD1-CH2 4.26Å; I74-W86 HydrophobicContact CD1-CZ2 4.43Å; I74-W86 HydrophobicContact CD1-CZ3 3.86Å; I74-W86 HydrophobicContact CG1-CD2 3.9Å; I74-W86 HydrophobicContact CG1-CE3 4.24Å; I74-W86 HydrophobicContact CG1-CG 4.17Å; I74-W86 HydrophobicContact CG1-CZ2 4.41Å; I74-W86 HydrophobicContact CG2-CB 3.44Å; I74-W86 VanDerWaalsContact CG2-CB 3.44Å; I74-W86 HydrophobicContact CG2-CD2 4.11Å; I74-W86 HydrophobicContact CG2-CG 3.54Å; D82-W86 WeakPolarHBondContact O-CB 3.47Å; D82-W86 PolarHBondContact O-N 3.43Å; V83-W86 WeakPolarHBondContact O-CB 3.28Å; V83-W86 PolarHBondContact O-N 3.22Å; V83-W86 VanDerWaalsContact O-N 3.16Å; T84-W86 VanDerWaalsContact C-N 3.31Å; T84-W86 PolarHBondContact O-N 2.99Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; W86-E89 PolarHBondContact O-N 2.97Å; W86-K90 HydrophobicContact CD2-CG 4.22Å; W86-K90 HydrophobicContact CZ2-CD 4.39Å; W86-K90 HydrophobicContact CZ2-CG 4.13Å; W86-K90 WeakPolarHBondContact O-CB 3.33Å; W86-K90 WeakPolarHBondContact O-CG 3.07Å; W86-K90 PolarHBondContact O-N 3.44Å; W86-K90 VanDerWaalsContact O-N 3.08Å; W86-F92 HydrophobicContact CH2-CE2 4.42Å; W86-F92 HydrophobicContact CZ3-CE2 4.22Å; W86-L128 HydrophobicContact CH2-CD1 3.81Å; W86-L128 HydrophobicContact CZ3-CD1 3.41Å; W86-L128 VanDerWaalsContact CZ3-CD1 3.41Å; W86-Q131 HydrophobicContact CH2-CB 3.71Å; W86-Q131 HydrophobicContact CZ2-CB 3.8Å; W86-L132 HydrophobicContact CH2-CD1 3.89Å; W86-L132 HydrophobicContact CZ3-CD1 4.09Å
87L86.4Confident85.1Confident0 Ų062.4 Ų62.40%032%0.319CS..Hα-helixtrans-63-41.8174.9-69.7169.1000111.4V83 T84 K90 G91 F92 I97 L100 L128V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 3.26Å; T84-L87 PolarHBondContact O-N 2.97Å; L87-K90 PolarHBondContact O-N 3.23Å; L87-G91 PolarHBondContact O-N 2.9Å; L87-F92 HydrophobicContact CB-CB 4.45Å; L87-F92 HydrophobicContact CB-CD2 4.14Å; L87-F92 HydrophobicContact CD2-CB 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.48Å; L87-F92 VanDerWaalsContact CD2-CD2 3.48Å; L87-F92 HydrophobicContact CD2-CE2 3.71Å; L87-F92 HydrophobicContact CD2-CG 3.94Å; L87-F92 HydrophobicContact CD2-CZ 4.35Å; L87-F92 HydrophobicContact CG-CD2 4.43Å; L87-F92 WeakPolarHBondContact O-CD2 3.47Å; L87-F92 PolarHBondContact O-N 2.59Å; L87-F92 VanDerWaalsContact O-N 3.17Å; L87-I97 HydrophobicContact CB-CG1 3.75Å; L87-L100 HydrophobicContact CD1-CB 3.82Å; L87-L100 HydrophobicContact CD1-CD2 4.36Å; L87-L100 HydrophobicContact CD1-CG 4.49Å; L87-L128 HydrophobicContact CD2-CD1 3.71Å
88Q86.7Confident85.4Confident115 Ų11559.1 Ų59.154%0.53731%0.311SS..Hα-helixtrans-61.5-47.8175-72.1172.75.700112.3T84 R85 W86 K90 G91 I97T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.44Å; R85-Q88 PolarHBondContact O-N 2.72Å; W86-Q88 VanDerWaalsContact C-N 3.35Å; Q88-K90 PolarHBondContact O-N 3.29Å; Q88-G91 PolarHBondContact O-N 2.99Å; Q88-I97 HydrophobicContact CB-CD1 4.41Å; Q88-I97 HydrophobicContact CG-CD1 3.61Å; Q88-I97 HydrophobicContact CG-CG1 4.43Å; Q88-I97 HydrophobicContact CG-CG2 4.43Å
89E84.3Confident85.5Confident71 Ų7162.8 Ų62.833%0.33233%0.329SS..Hα-helixtrans-65.2-28.7-179.4-170.361.9-151.500112.5R68 T70 V72 R85 W86 G91R68-E89 IonicContact NH2-OE1 3.72Å; R68-E89 PolarHBondContact NH2-OE1 3.22Å; T70-E89 HydrophobicContact CG2-CG 4.27Å; V72-E89 HydrophobicContact CG2-CG 4.37Å; R85-E89 WeakPolarHBondContact O-CB 3.42Å; R85-E89 PolarHBondContact O-N 2.96Å; W86-E89 PolarHBondContact O-N 2.97Å; E89-G91 VanDerWaalsContact C-N 3.3Å
90K79.8Confident85.3Confident31 Ų3160.3 Ų60.314%0.13531%0.311CS..Hα-helixtrans-77.5-15.2175.1-73.3-76.4178.3-167.20113.3T70 W86 L87 Q88 F92T70-K90 HydrophobicContact CG2-CD 3.5Å; T70-K90 VanDerWaalsContact CG2-CD 3.5Å; T70-K90 HydrophobicContact CG2-CG 4.1Å; T70-K90 VanDerWaalsContact CG2-NZ 3.28Å; T70-K90 WeakPolarHBondContact OG1-CE 3.19Å; T70-K90 PolarHBondContact OG1-NZ 3.12Å; W86-K90 HydrophobicContact CD2-CG 4.22Å; W86-K90 HydrophobicContact CZ2-CD 4.39Å; W86-K90 HydrophobicContact CZ2-CG 4.13Å; W86-K90 WeakPolarHBondContact O-CB 3.33Å; W86-K90 WeakPolarHBondContact O-CG 3.07Å; W86-K90 PolarHBondContact O-N 3.44Å; W86-K90 VanDerWaalsContact O-N 3.08Å; L87-K90 PolarHBondContact O-N 3.23Å; Q88-K90 PolarHBondContact O-N 3.29Å; K90-F92 HydrophobicContact CB-CD2 3.54Å; K90-F92 HydrophobicContact CB-CE2 3.48Å; K90-F92 VanDerWaalsContact CB-CE2 3.48Å; K90-F92 HydrophobicContact CG-CE2 4.07Å
91G83.1Confident85Confident65 Ų6563.3 Ų63.367%0.6733%0.325SS*.THydrogen-bonded Turntrans77.931.9-179.400000113.6L87 Q88 E89L87-G91 PolarHBondContact O-N 2.9Å; Q88-G91 PolarHBondContact O-N 2.99Å; E89-G91 VanDerWaalsContact C-N 3.3Å
92F85.2Confident84.7Confident13 Ų1357.9 Ų57.96%0.05731%0.312CS..  trans-67154.3169.5-74.2-84.3000111W86 L87 K90 V96 I97 Y127 L128W86-F92 HydrophobicContact CH2-CE2 4.42Å; W86-F92 HydrophobicContact CZ3-CE2 4.22Å; L87-F92 HydrophobicContact CB-CB 4.45Å; L87-F92 HydrophobicContact CB-CD2 4.14Å; L87-F92 HydrophobicContact CD2-CB 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.48Å; L87-F92 VanDerWaalsContact CD2-CD2 3.48Å; L87-F92 HydrophobicContact CD2-CE2 3.71Å; L87-F92 HydrophobicContact CD2-CG 3.94Å; L87-F92 HydrophobicContact CD2-CZ 4.35Å; L87-F92 HydrophobicContact CG-CD2 4.43Å; L87-F92 WeakPolarHBondContact O-CD2 3.47Å; L87-F92 PolarHBondContact O-N 2.59Å; L87-F92 VanDerWaalsContact O-N 3.17Å; K90-F92 HydrophobicContact CB-CD2 3.54Å; K90-F92 HydrophobicContact CB-CE2 3.48Å; K90-F92 VanDerWaalsContact CB-CE2 3.48Å; K90-F92 HydrophobicContact CG-CE2 4.07Å; F92-V96 HydrophobicContact CB-CB 4.49Å; F92-V96 HydrophobicContact CB-CG1 4.38Å; F92-V96 HydrophobicContact CD1-CG1 4.29Å; F92-I97 HydrophobicContact CB-CG1 4.49Å; F92-Y127 AromaticContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CE1 4.28Å; F92-Y127 HydrophobicContact CE2-CD1 4.37Å; F92-Y127 HydrophobicContact CE2-CE1 4.35Å; F92-Y127 AromaticContact CZ-CD1 3.46Å; F92-Y127 HydrophobicContact CZ-CD1 3.46Å; F92-Y127 VanDerWaalsContact CZ-CD1 3.46Å; F92-Y127 AromaticContact CZ-CE1 3.85Å; F92-Y127 HydrophobicContact CZ-CE1 3.85Å; F92-L128 HydrophobicContact CE1-CB 3.91Å; F92-L128 HydrophobicContact CE1-CD1 4.43Å; F92-L128 HydrophobicContact CE2-CD1 4.28Å; F92-L128 HydrophobicContact CZ-CB 3.94Å; F92-L128 HydrophobicContact CZ-CD1 3.89Å
93S86.9Confident84.5Confident42 Ų4257.8 Ų57.829%0.29431%0.31SS..  trans-57.6141.2175.6179.60000111.3R95 V96 I97 E124S93-R95 PolarHBondContact O-N 2.85Å; S93-R95 VanDerWaalsContact O-N 3.14Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.08Å; S93-I97 PolarHBondContact O-N 3.37Å; S93-I97 VanDerWaalsContact O-N 3.14Å; S93-E124 WeakPolarHBondContact CB-OE1 3.16Å; S93-E124 PolarHBondContact N-OE1 2.92Å; S93-E124 VanDerWaalsContact N-OE1 3.08Å
94P85.3Confident84.4Confident92 Ų9261.7 Ų61.760%0.59733%0.33SS*.Hα-helixtrans-54.4-33.9175.620.7-32.2000112.2V96 I97 D98P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 2.85Å; P94-I97 WeakPolarHBondContact O-CB 3.45Å; P94-I97 PolarHBondContact O-N 2.87Å; P94-I97 VanDerWaalsContact O-N 3.16Å; P94-D98 PolarHBondContact O-N 2.95Å
95R86.1Confident84.1Confident160 Ų16060.8 Ų60.860%0.60433%0.325SS*.Hα-helixtrans-58.1-40.4173.9173.8179.4142.2152.7-1112.6S93 L99S93-R95 PolarHBondContact O-N 2.85Å; S93-R95 VanDerWaalsContact O-N 3.14Å; R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 WeakPolarHBondContact O-CB 3.5Å; R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 2.79Å; R95-L99 VanDerWaalsContact O-N 3.1Å
96V83.9Confident83.8Confident0 Ų055.1 Ų55.10%031%0.312CS..Hα-helixtrans-71.4-39.1178.8171.90000110.1F92 S93 P94 L99 L100 C120 E124F92-V96 HydrophobicContact CB-CB 4.49Å; F92-V96 HydrophobicContact CB-CG1 4.38Å; F92-V96 HydrophobicContact CD1-CG1 4.29Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.08Å; P94-V96 VanDerWaalsContact C-N 3.29Å; P94-V96 PolarHBondContact O-N 2.85Å; V96-L99 PolarHBondContact O-N 3.23Å; V96-L100 HydrophobicContact CG1-CD1 3.51Å; V96-L100 WeakPolarHBondContact O-CD1 3.35Å; V96-L100 PolarHBondContact O-N 3.15Å; V96-C120 HydrophobicContact CG1-CB 4.07Å; V96-C120 HydrophobicContact CG2-CB 3.91Å; V96-E124 HydrophobicContact CG2-CB 4.29Å; V96-E124 WeakPolarHBondContact CG2-OE2 3.37Å
97I86Confident83.6Confident15 Ų1558.3 Ų58.38%0.07733%0.329CS..Hα-helixtrans-60.6-47.2176.1-64.5160.6000110.2T84 L87 Q88 F92 S93 P94 L99 L100 D101T84-I97 HydrophobicContact CG2-CG2 3.58Å; L87-I97 HydrophobicContact CB-CG1 3.75Å; Q88-I97 HydrophobicContact CB-CD1 4.41Å; Q88-I97 HydrophobicContact CG-CD1 3.61Å; Q88-I97 HydrophobicContact CG-CG1 4.43Å; Q88-I97 HydrophobicContact CG-CG2 4.43Å; F92-I97 HydrophobicContact CB-CG1 4.49Å; S93-I97 PolarHBondContact O-N 3.37Å; S93-I97 VanDerWaalsContact O-N 3.14Å; P94-I97 WeakPolarHBondContact O-CB 3.45Å; P94-I97 PolarHBondContact O-N 2.87Å; P94-I97 VanDerWaalsContact O-N 3.16Å; I97-L99 VanDerWaalsContact C-N 3.33Å; I97-L99 PolarHBondContact O-N 3.37Å; I97-L100 CarbonylContact O-C 3.04Å; I97-L100 PolarHBondContact O-N 2.86Å; I97-D101 PolarHBondContact O-N 3.01Å
98D86.5Confident83.4Confident124 Ų12458.3 Ų58.366%0.66333%0.329SS*.Hα-helixtrans-64.3-36.1177.5-66.2-23.5000112.6P94 L100 D101P94-D98 PolarHBondContact O-N 2.95Å; D98-L100 VanDerWaalsContact C-N 3.35Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.62Å
99L84.3Confident83.1Confident90 Ų9054.6 Ų54.647%0.47131%0.311SS..Hα-helixtrans-69.7-30.9178.2-106.1141.5000113.3R95 V96 I97R95-L99 HydrophobicContact CG-CD1 4.01Å; R95-L99 WeakPolarHBondContact O-CB 3.5Å; R95-L99 WeakPolarHBondContact O-CD1 3.43Å; R95-L99 PolarHBondContact O-N 2.79Å; R95-L99 VanDerWaalsContact O-N 3.1Å; V96-L99 PolarHBondContact O-N 3.23Å; I97-L99 VanDerWaalsContact C-N 3.33Å; I97-L99 PolarHBondContact O-N 3.37Å
100L81.2Confident83Confident7 Ų755.6 Ų55.64%0.03733%0.326CS..Hα-helixtrans-98.11.5178.2-79.7105000113.4L87 V96 I97 D98 G102 Q103 L108 C120 L128L87-L100 HydrophobicContact CD1-CB 3.82Å; L87-L100 HydrophobicContact CD1-CD2 4.36Å; L87-L100 HydrophobicContact CD1-CG 4.49Å; V96-L100 HydrophobicContact CG1-CD1 3.51Å; V96-L100 WeakPolarHBondContact O-CD1 3.35Å; V96-L100 PolarHBondContact O-N 3.15Å; I97-L100 CarbonylContact O-C 3.04Å; I97-L100 PolarHBondContact O-N 2.86Å; D98-L100 VanDerWaalsContact C-N 3.35Å; L100-G102 PolarHBondContact O-N 2.97Å; L100-Q103 VanDerWaalsContact O-CB 3.32Å; L100-Q103 WeakPolarHBondContact O-CB 3.38Å; L100-Q103 WeakPolarHBondContact O-CG 3.48Å; L100-Q103 PolarHBondContact O-N 3.11Å; L100-Q103 VanDerWaalsContact O-N 3.1Å; L100-L108 HydrophobicContact CD2-CD1 3.26Å; L100-L108 HydrophobicContact CD2-CD2 4.17Å; L100-L108 HydrophobicContact CD2-CG 4.34Å; L100-C120 WeakPolarHBondContact CD1-SG 3.48Å; L100-L128 HydrophobicContact CD1-CD2 4.3Å; L100-L128 HydrophobicContact CD2-CD2 3.87Å
101D81.1Confident83Confident100 Ų10056.4 Ų56.454%0.53533%0.331SS..THydrogen-bonded Turntrans-62.7133.9178.5-163.561000110.2T84 I97 D98 Q103T84-D101 PolarHBondContact OG1-OD1 2.79Å; I97-D101 PolarHBondContact O-N 3.01Å; D98-D101 WeakPolarHBondContact O-CB 3.43Å; D98-D101 PolarHBondContact O-N 2.62Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.19Å
102G80.3Confident82.8Confident46 Ų4655.8 Ų55.847%0.47432%0.317SS..THydrogen-bonded Turntrans78.77.8-174.300000115.5L100L100-G102 PolarHBondContact O-N 2.97Å
103Q81.6Confident82.6Confident66 Ų6660 Ų6031%0.30834%0.335SS..  trans-92.1120.9171.9-57.7-64.6-89.200111.2L100 D101 N107L100-Q103 VanDerWaalsContact O-CB 3.32Å; L100-Q103 WeakPolarHBondContact O-CB 3.38Å; L100-Q103 WeakPolarHBondContact O-CG 3.48Å; L100-Q103 PolarHBondContact O-N 3.11Å; L100-Q103 VanDerWaalsContact O-N 3.1Å; D101-Q103 VanDerWaalsContact C-N 3.33Å; D101-Q103 PolarHBondContact O-N 3.19Å; Q103-N107 PolarHBondContact OE1-ND2 3.46Å
104D83.6Confident82.4Confident82 Ų8263 Ų6344%0.43935%0.347SS..  trans-67.1158174.5-63.3-48.2000111.9P80 A106 N107 L108P80-D104 VanDerWaalsContact CD-OD1 3.25Å; P80-D104 WeakPolarHBondContact CD-OD1 3.42Å; D104-A106 VanDerWaalsContact C-N 3.26Å; D104-A106 PolarHBondContact O-N 3.46Å; D104-N107 PolarHBondContact O-N 2.82Å; D104-N107 VanDerWaalsContact O-N 3.09Å; D104-L108 WeakPolarHBondContact O-CB 3.26Å; D104-L108 PolarHBondContact O-N 2.73Å
105G79.6Confident82.3Confident0 Ų063.3 Ų63.30%034%0.34CS..Hα-helixtrans-50.4-48.5171.300000111.5S78 N107 L108 F109S78-G105 PolarHBondContact O-N 3.02Å; G105-N107 VanDerWaalsContact C-N 3.31Å; G105-N107 PolarHBondContact O-N 3.19Å; G105-L108 PolarHBondContact O-N 2.67Å; G105-L108 VanDerWaalsContact O-N 3.14Å; G105-F109 WeakPolarHBondContact O-CB 3.27Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.95Å
106A80.9Confident82.1Confident38 Ų3855.8 Ų55.831%0.31431%0.312SS..Hα-helixtrans-55.9-43.7178.700000113E76 D104 S110E76-A106 HydrophobicContact CG-CB 3.99Å; E76-A106 WeakPolarHBondContact O-CA 3.41Å; E76-A106 WeakPolarHBondContact O-CB 3.49Å; E76-A106 PolarHBondContact O-N 2.85Å; D104-A106 VanDerWaalsContact C-N 3.26Å; D104-A106 PolarHBondContact O-N 3.46Å; A106-S110 WeakPolarHBondContact O-CB 3.45Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.16Å
107N82.4Confident82.2Confident67 Ų6758.3 Ų58.336%0.35832%0.324SS..Hα-helixtrans-69-43.7178.6-161.951.7000110.6Q103 D104 G105 F109 S110 L111Q103-N107 PolarHBondContact OE1-ND2 3.46Å; D104-N107 PolarHBondContact O-N 2.82Å; D104-N107 VanDerWaalsContact O-N 3.09Å; G105-N107 VanDerWaalsContact C-N 3.31Å; G105-N107 PolarHBondContact O-N 3.19Å; N107-F109 VanDerWaalsContact C-N 3.33Å; N107-F109 PolarHBondContact O-N 3.24Å; N107-S110 WeakPolarHBondContact O-CB 3.48Å; N107-S110 PolarHBondContact O-N 3.1Å; N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.29Å
108L82.6Confident82Confident0 Ų064 Ų640%035%0.35CS..Hα-helixtrans-61.6-39.8178.7-169.154.1000112.7I74 V83 L100 D104 G105 S110 L111 L116 L128 L132I74-L108 HydrophobicContact CD1-CD2 4.04Å; V83-L108 HydrophobicContact CG1-CD2 3.52Å; L100-L108 HydrophobicContact CD2-CD1 3.26Å; L100-L108 HydrophobicContact CD2-CD2 4.17Å; L100-L108 HydrophobicContact CD2-CG 4.34Å; D104-L108 WeakPolarHBondContact O-CB 3.26Å; D104-L108 PolarHBondContact O-N 2.73Å; G105-L108 PolarHBondContact O-N 2.67Å; G105-L108 VanDerWaalsContact O-N 3.14Å; L108-S110 VanDerWaalsContact C-N 3.32Å; L108-L111 HydrophobicContact CD1-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.38Å; L108-L116 HydrophobicContact CD1-CD2 3.69Å; L108-L128 HydrophobicContact CD1-CD2 4.44Å; L108-L132 HydrophobicContact CB-CD2 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.14Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; L108-L132 HydrophobicContact CG-CD2 3.8Å; L108-L132 WeakPolarHBondContact O-CD2 3.22Å
109F79.4Confident81.6Confident38 Ų3860 Ų6017%0.16734%0.335CS..Hα-helixtrans-72.5-23.1174.6-79.5-74.5000113.5I74 N75 G105 N107 L132 Q135 K136I74-F109 HydrophobicContact CD1-CE2 4.36Å; I74-F109 HydrophobicContact CD1-CZ 4.49Å; I74-F109 HydrophobicContact CG1-CE2 4.32Å; I74-F109 HydrophobicContact CG1-CZ 4.28Å; N75-F109 WeakPolarHBondContact O-CE2 3.4Å; G105-F109 WeakPolarHBondContact O-CB 3.27Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.95Å; N107-F109 VanDerWaalsContact C-N 3.33Å; N107-F109 PolarHBondContact O-N 3.24Å; F109-L132 HydrophobicContact CD1-CB 4.39Å; F109-L132 HydrophobicContact CD1-CD2 3.88Å; F109-L132 HydrophobicContact CD1-CG 4.05Å; F109-L132 HydrophobicContact CE1-CB 4.12Å; F109-L132 HydrophobicContact CE1-CD2 4.19Å; F109-L132 HydrophobicContact CE1-CG 3.84Å; F109-L132 WeakPolarHBondContact CE1-O 3.5Å; F109-L132 HydrophobicContact CG-CD2 4.18Å; F109-L132 HydrophobicContact CZ-CG 4.23Å; F109-Q135 HydrophobicContact CE1-CB 4.32Å; F109-Q135 HydrophobicContact CZ-CB 4.07Å; F109-K136 HydrophobicContact CE1-CB 4.31Å
110S82.7Confident81.4Confident91 Ų9155.9 Ų55.964%0.63631%0.313SS*.Hα-helixtrans-81.9-25.5175.6-62.40000112.6A106 N107 L108 S112A106-S110 WeakPolarHBondContact O-CB 3.45Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.16Å; N107-S110 WeakPolarHBondContact O-CB 3.48Å; N107-S110 PolarHBondContact O-N 3.1Å; L108-S110 VanDerWaalsContact C-N 3.32Å; S110-S112 PolarHBondContact O-N 2.91Å
111L80.5Confident81.5Confident49 Ų4957 Ų5726%0.25733%0.326SS..SBendtrans-65.9130.5177.5-70.2172.6000111.5N107 L108 H115 L116N107-L111 WeakPolarHBondContact O-CG 3.49Å; N107-L111 PolarHBondContact O-N 3.29Å; L108-L111 HydrophobicContact CD1-CD1 4.32Å; L108-L111 PolarHBondContact O-N 3.38Å; L111-H115 HydrophobicContact CD2-CB 4.13Å; L111-L116 HydrophobicContact CB-CD2 4.08Å; L111-L116 HydrophobicContact CB-CG 4.16Å; L111-L116 HydrophobicContact CD1-CD2 4.06Å
112S79.6Confident81.5Confident52 Ų5262.4 Ų62.436%0.36434%0.339SS..  trans-73.9157.9176.877.20000111.2S110 L114 H115 L116S110-S112 PolarHBondContact O-N 2.91Å; S112-L114 PolarHBondContact O-N 3.38Å; S112-L114 VanDerWaalsContact O-N 3.08Å; S112-H115 PolarHBondContact O-N 3.09Å; S112-H115 PolarHBondContact OG-ND1 2.76Å; S112-L116 PolarHBondContact O-N 3.08Å
113K80Confident81.6Confident102 Ų10267.1 Ų67.144%0.44335%0.353SS..Hα-helixtrans-49.4-37.6174.7-175.5-178.4175.9-175.50112.4Q117 Y129K113-Q117 HydrophobicContact CG-CG 4.42Å; K113-Q117 WeakPolarHBondContact O-CB 3.27Å; K113-Q117 VanDerWaalsContact O-CG 3.22Å; K113-Q117 WeakPolarHBondContact O-CG 3.44Å; K113-Q117 PolarHBondContact O-N 3.14Å; K113-Y129 HydrophobicContact CB-CD1 3.91Å; K113-Y129 HydrophobicContact CB-CD2 3.87Å; K113-Y129 HydrophobicContact CB-CE1 4.08Å; K113-Y129 HydrophobicContact CB-CE2 4.03Å; K113-Y129 HydrophobicContact CB-CG 3.79Å; K113-Y129 HydrophobicContact CD-CD1 3.97Å; K113-Y129 HydrophobicContact CD-CE1 4.25Å; K113-Y129 HydrophobicContact CG-CD1 3.9Å; K113-Y129 HydrophobicContact CG-CE1 4.41Å; K113-Y129 HydrophobicContact CG-CG 3.95Å
114L82.8Confident81.8Confident104 Ų10466.8 Ų66.855%0.54535%0.352SS..Hα-helixtrans-65.9-45.7-179.8-174.466.1000111.6S112 Q117 Q118S112-L114 PolarHBondContact O-N 3.38Å; S112-L114 VanDerWaalsContact O-N 3.08Å; L114-Q117 PolarHBondContact O-N 3.36Å; L114-Q118 WeakPolarHBondContact O-CB 3.2Å; L114-Q118 WeakPolarHBondContact O-CG 3.05Å; L114-Q118 PolarHBondContact O-N 2.76Å
115H82.6Confident81.8Confident99 Ų9962.9 Ų62.946%0.45833%0.331SS..Hα-helixtrans-65-40.6177.7-68.9130.5000111.8L111 S112 Q117 Q118 A119L111-H115 HydrophobicContact CD2-CB 4.13Å; S112-H115 PolarHBondContact O-N 3.09Å; S112-H115 PolarHBondContact OG-ND1 2.76Å; H115-Q117 VanDerWaalsContact C-N 3.34Å; H115-Q117 PolarHBondContact O-N 2.84Å; H115-Q118 PolarHBondContact O-N 3.11Å; H115-A119 WeakPolarHBondContact O-CB 3.39Å; H115-A119 PolarHBondContact O-N 2.84Å
116L82.9Confident82.1Confident2 Ų263.8 Ų63.81%0.0134%0.341CS..Hα-helixtrans-64-39.5175.4-66.1172.4000112L108 L111 S112 Q118 C120 G125 L128 Y129L108-L116 HydrophobicContact CD1-CD2 3.69Å; L111-L116 HydrophobicContact CB-CD2 4.08Å; L111-L116 HydrophobicContact CB-CG 4.16Å; L111-L116 HydrophobicContact CD1-CD2 4.06Å; S112-L116 PolarHBondContact O-N 3.08Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-C120 WeakPolarHBondContact O-CB 3.35Å; L116-C120 PolarHBondContact O-N 2.78Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.36Å; L116-G125 WeakPolarHBondContact O-CA 3.38Å; L116-L128 HydrophobicContact CD1-CG 4.5Å; L116-L128 HydrophobicContact CD2-CD2 3.85Å; L116-L128 HydrophobicContact CD2-CG 4.48Å; L116-Y129 HydrophobicContact CD1-CD2 3.98Å; L116-Y129 HydrophobicContact CD1-CG 4.46Å
117Q85.9Confident82.2Confident53 Ų5366.1 Ų66.125%0.24834%0.342CS..Hα-helixtrans-69.2-31.4175.3-74.2-177.1-46.400113.2K113 L114 H115 G121 R122K113-Q117 HydrophobicContact CG-CG 4.42Å; K113-Q117 WeakPolarHBondContact O-CB 3.27Å; K113-Q117 VanDerWaalsContact O-CG 3.22Å; K113-Q117 WeakPolarHBondContact O-CG 3.44Å; K113-Q117 PolarHBondContact O-N 3.14Å; L114-Q117 PolarHBondContact O-N 3.36Å; H115-Q117 VanDerWaalsContact C-N 3.34Å; H115-Q117 PolarHBondContact O-N 2.84Å; Q117-G121 WeakPolarHBondContact CA-O 3.49Å; Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.44Å; Q117-G121 PolarHBondContact O-N 3.4Å; Q117-R122 PolarHBondContact NE2-O 3.47Å
118Q81.9Confident82.4Confident133 Ų13363 Ų6362%0.62133%0.325SS*.Hα-helixtrans-72.8-43.2174.6-76.1175.4-2600111.7L114 H115 L116L114-Q118 WeakPolarHBondContact O-CB 3.2Å; L114-Q118 WeakPolarHBondContact O-CG 3.05Å; L114-Q118 PolarHBondContact O-N 2.76Å; H115-Q118 PolarHBondContact O-N 3.11Å; L116-Q118 VanDerWaalsContact C-N 3.35Å
119A77.9Confident82.5Confident42 Ų4267.2 Ų67.235%0.34734%0.341SS..Hα-helixtrans-71.9-45.4-179.300000112.6H115H115-A119 WeakPolarHBondContact O-CB 3.39Å; H115-A119 PolarHBondContact O-N 2.84Å
120C80.1Confident82.7Confident3 Ų368.5 Ų68.52%0.0236%0.355CS..Hα-helixtrans-103-6.2-171-44.90000113.5V96 L100 L116 E124V96-C120 HydrophobicContact CG1-CB 4.07Å; V96-C120 HydrophobicContact CG2-CB 3.91Å; L100-C120 WeakPolarHBondContact CD1-SG 3.48Å; L116-C120 WeakPolarHBondContact O-CB 3.35Å; L116-C120 PolarHBondContact O-N 2.78Å; L116-C120 PolarHBondContact O-SG 3.46Å; L116-C120 VanDerWaalsContact O-SG 3.36Å; C120-E124 HydrophobicContact CB-CB 4.21Å
121G83.8Confident82.8Confident29 Ų2964.6 Ų64.630%0.29933%0.327SS..  trans89.8161.9-168.600000113Q117 D123 G125Q117-G121 WeakPolarHBondContact CA-O 3.49Å; Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.44Å; Q117-G121 PolarHBondContact O-N 3.4Å; G121-D123 VanDerWaalsContact C-N 3.32Å; G121-D123 PolarHBondContact O-N 3.31Å; G121-G125 WeakPolarHBondContact O-CA 3.32Å; G121-G125 PolarHBondContact O-N 2.91Å
122R81.3Confident82.8Confident215 Ų21562.6 Ų62.681%0.81132%0.317SS*.Hα-helixtrans-60.4-39.5-170.4-175.3-178.7-70.1-164.3-0.5113.2Q117 G126Q117-R122 PolarHBondContact NE2-O 3.47Å; R122-G126 PolarHBondContact O-N 3.38Å
123D82.6Confident82.9Confident144 Ų14463.3 Ų63.377%0.7732%0.316SS*.Hα-helixtrans-80.4-58-174.2-148.7-92.6000111.2G121 G125 G126 Y127G121-D123 VanDerWaalsContact C-N 3.32Å; G121-D123 PolarHBondContact O-N 3.31Å; D123-G125 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact O-N 2.89Å; D123-Y127 PolarHBondContact O-N 2.92Å
124E85.2Confident82.9Confident59 Ų5962.1 Ų62.128%0.27632%0.317SS..Hα-helixtrans-64.3-39.9179.7-63.1-170.410300112.3S93 V96 C120 G126 Y127 L128S93-E124 WeakPolarHBondContact CB-OE1 3.16Å; S93-E124 PolarHBondContact N-OE1 2.92Å; S93-E124 VanDerWaalsContact N-OE1 3.08Å; V96-E124 HydrophobicContact CG2-CB 4.29Å; V96-E124 WeakPolarHBondContact CG2-OE2 3.37Å; C120-E124 HydrophobicContact CB-CB 4.21Å; E124-G126 PolarHBondContact O-N 3.35Å; E124-Y127 PolarHBondContact O-N 3.3Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 3.43Å; E124-L128 PolarHBondContact O-N 2.96Å
125G84.3Confident82.7Confident0 Ų057.8 Ų57.80%029%0.294CS..Hα-helixtrans-68.5-33.3177.600000113.4L116 G121 D123 Y129L116-G125 WeakPolarHBondContact O-CA 3.38Å; G121-G125 WeakPolarHBondContact O-CA 3.32Å; G121-G125 PolarHBondContact O-N 2.91Å; D123-G125 PolarHBondContact O-N 3.38Å; G125-Y129 WeakPolarHBondContact O-CB 3.29Å; G125-Y129 PolarHBondContact O-N 2.99Å
126G84Confident82.3Confident20 Ų2056.7 Ų56.721%0.20629%0.288CS..Hα-helixtrans-68.1-41.6172.500000112R122 D123 E124 S130R122-G126 PolarHBondContact O-N 3.38Å; D123-G126 PolarHBondContact O-N 2.89Å; E124-G126 PolarHBondContact O-N 3.35Å; G126-S130 WeakPolarHBondContact O-CB 3.36Å; G126-S130 PolarHBondContact O-N 3Å; G126-S130 VanDerWaalsContact O-N 3.08Å
127Y84.8Confident81.5Confident87 Ų8763.1 Ų63.134%0.34132%0.316SS..Hα-helixtrans-64-46.2175.3-174.7-112.6000111.7F92 D123 E124 S130 Q131F92-Y127 AromaticContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CD1 3.56Å; F92-Y127 HydrophobicContact CE1-CE1 4.28Å; F92-Y127 HydrophobicContact CE2-CD1 4.37Å; F92-Y127 HydrophobicContact CE2-CE1 4.35Å; F92-Y127 AromaticContact CZ-CD1 3.46Å; F92-Y127 HydrophobicContact CZ-CD1 3.46Å; F92-Y127 VanDerWaalsContact CZ-CD1 3.46Å; F92-Y127 AromaticContact CZ-CE1 3.85Å; F92-Y127 HydrophobicContact CZ-CE1 3.85Å; D123-Y127 PolarHBondContact O-N 2.92Å; E124-Y127 PolarHBondContact O-N 3.3Å; Y127-S130 WeakPolarHBondContact O-CB 3.26Å; Y127-S130 PolarHBondContact O-N 2.87Å; Y127-Q131 HydrophobicContact CE1-CG 4.21Å; Y127-Q131 HydrophobicContact CE2-CG 4.45Å; Y127-Q131 WeakPolarHBondContact O-CG 3.25Å; Y127-Q131 PolarHBondContact O-N 2.97Å; Y127-Q131 PolarHBondContact OH-NE2 3.26Å
128L84.8Confident80.4Confident0 Ų069.6 Ų69.60%034%0.338CS..Hα-helixtrans-57.7-49.8176.3-179.756.7000112.1W86 L87 F92 L100 L108 L116 E124 S130 Q131 L132W86-L128 HydrophobicContact CH2-CD1 3.81Å; W86-L128 HydrophobicContact CZ3-CD1 3.41Å; W86-L128 VanDerWaalsContact CZ3-CD1 3.41Å; L87-L128 HydrophobicContact CD2-CD1 3.71Å; F92-L128 HydrophobicContact CE1-CB 3.91Å; F92-L128 HydrophobicContact CE1-CD1 4.43Å; F92-L128 HydrophobicContact CE2-CD1 4.28Å; F92-L128 HydrophobicContact CZ-CB 3.94Å; F92-L128 HydrophobicContact CZ-CD1 3.89Å; L100-L128 HydrophobicContact CD1-CD2 4.3Å; L100-L128 HydrophobicContact CD2-CD2 3.87Å; L108-L128 HydrophobicContact CD1-CD2 4.44Å; L116-L128 HydrophobicContact CD1-CG 4.5Å; L116-L128 HydrophobicContact CD2-CD2 3.85Å; L116-L128 HydrophobicContact CD2-CG 4.48Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 3.43Å; E124-L128 PolarHBondContact O-N 2.96Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.91Å; L128-Q131 PolarHBondContact O-N 3.5Å; L128-L132 HydrophobicContact CD1-CD1 3.64Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 WeakPolarHBondContact O-CD1 3.36Å; L128-L132 PolarHBondContact O-N 3.13Å
129Y84.8Confident79.2Confident89 Ų8967.1 Ų67.135%0.34934%0.335SS..Hα-helixtrans-61.1-40.4177.4-178.3-100.3000112.6K113 L116 G125 Q131 L132 L133K113-Y129 HydrophobicContact CB-CD1 3.91Å; K113-Y129 HydrophobicContact CB-CD2 3.87Å; K113-Y129 HydrophobicContact CB-CE1 4.08Å; K113-Y129 HydrophobicContact CB-CE2 4.03Å; K113-Y129 HydrophobicContact CB-CG 3.79Å; K113-Y129 HydrophobicContact CD-CD1 3.97Å; K113-Y129 HydrophobicContact CD-CE1 4.25Å; K113-Y129 HydrophobicContact CG-CD1 3.9Å; K113-Y129 HydrophobicContact CG-CE1 4.41Å; K113-Y129 HydrophobicContact CG-CG 3.95Å; L116-Y129 HydrophobicContact CD1-CD2 3.98Å; L116-Y129 HydrophobicContact CD1-CG 4.46Å; G125-Y129 WeakPolarHBondContact O-CB 3.29Å; G125-Y129 PolarHBondContact O-N 2.99Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-L132 PolarHBondContact O-N 2.72Å; Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.74Å
130S85.1Confident78.1Confident65 Ų6567.5 Ų67.546%0.45534%0.343SS..Hα-helixtrans-61-45.5175.6-173.10000111.2G126 Y127 L128 L133 V134G126-S130 WeakPolarHBondContact O-CB 3.36Å; G126-S130 PolarHBondContact O-N 3Å; G126-S130 VanDerWaalsContact O-N 3.08Å; Y127-S130 WeakPolarHBondContact O-CB 3.26Å; Y127-S130 PolarHBondContact O-N 2.87Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 2.91Å; S130-L133 WeakPolarHBondContact O-CB 3.48Å; S130-L133 PolarHBondContact O-N 2.69Å; S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 2.7Å
131Q83.8Confident76.6Confident9 Ų973.3 Ų73.34%0.04237%0.368CS..Hα-helixtrans-64.7-42.3177.7-68.9-65.1-6.100112.4W86 Y127 L128 Y129 L133 V134 Q135W86-Q131 HydrophobicContact CH2-CB 3.71Å; W86-Q131 HydrophobicContact CZ2-CB 3.8Å; Y127-Q131 HydrophobicContact CE1-CG 4.21Å; Y127-Q131 HydrophobicContact CE2-CG 4.45Å; Y127-Q131 WeakPolarHBondContact O-CG 3.25Å; Y127-Q131 PolarHBondContact O-N 2.97Å; Y127-Q131 PolarHBondContact OH-NE2 3.26Å; L128-Q131 PolarHBondContact O-N 3.5Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.69Å; Q131-V134 PolarHBondContact O-N 2.86Å; Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 3.45Å
132L81.7Confident74.9Confident8 Ų880.1 Ų80.14%0.04239%0.385CS..Hα-helixtrans-58.5-43.5172.5-102.176.1000111.6I74 W86 L108 F109 L128 Y129 V134 Q135 K136I74-L132 HydrophobicContact CD1-CD1 4.23Å; W86-L132 HydrophobicContact CH2-CD1 3.89Å; W86-L132 HydrophobicContact CZ3-CD1 4.09Å; L108-L132 HydrophobicContact CB-CD2 4.49Å; L108-L132 HydrophobicContact CD2-CD1 4.14Å; L108-L132 HydrophobicContact CG-CD1 4.21Å; L108-L132 HydrophobicContact CG-CD2 3.8Å; L108-L132 WeakPolarHBondContact O-CD2 3.22Å; F109-L132 HydrophobicContact CD1-CB 4.39Å; F109-L132 HydrophobicContact CD1-CD2 3.88Å; F109-L132 HydrophobicContact CD1-CG 4.05Å; F109-L132 HydrophobicContact CE1-CB 4.12Å; F109-L132 HydrophobicContact CE1-CD2 4.19Å; F109-L132 HydrophobicContact CE1-CG 3.84Å; F109-L132 WeakPolarHBondContact CE1-O 3.5Å; F109-L132 HydrophobicContact CG-CD2 4.18Å; F109-L132 HydrophobicContact CZ-CG 4.23Å; L128-L132 HydrophobicContact CD1-CD1 3.64Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 WeakPolarHBondContact O-CD1 3.36Å; L128-L132 PolarHBondContact O-N 3.13Å; Y129-L132 PolarHBondContact O-N 2.72Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.17Å; L132-Q135 PolarHBondContact O-N 3.49Å; L132-Q135 VanDerWaalsContact O-N 3.16Å; L132-K136 WeakPolarHBondContact O-CB 3.39Å; L132-K136 PolarHBondContact O-N 3.45Å
133L81.4Confident73.4Confident67 Ų6775 Ų7535%0.35138%0.378SS..Hα-helixtrans-63.8-38.3178.2-173.163.8000111.7Y129 S130 Q131 K136 K137Y129-L133 WeakPolarHBondContact O-CB 3.4Å; Y129-L133 PolarHBondContact O-N 2.74Å; S130-L133 WeakPolarHBondContact O-CB 3.48Å; S130-L133 PolarHBondContact O-N 2.69Å; Q131-L133 VanDerWaalsContact C-N 3.3Å; Q131-L133 PolarHBondContact O-N 2.69Å; L133-K136 PolarHBondContact O-N 3.18Å; L133-K137 HydrophobicContact CG-CD 4.47Å; L133-K137 WeakPolarHBondContact O-CB 3.22Å; L133-K137 VanDerWaalsContact O-CG 3.27Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 2.92Å
134V79.7Confident71.8Confident76 Ų7674.3 Ų74.346%0.46137%0.37SS..Hα-helixtrans-63-44.3172.41760000110.7S130 Q131 L132 K137 R138S130-V134 WeakPolarHBondContact O-CG2 3.48Å; S130-V134 PolarHBondContact O-N 2.7Å; Q131-V134 PolarHBondContact O-N 2.86Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-V134 PolarHBondContact O-N 3.17Å; V134-K137 PolarHBondContact O-N 3.01Å; V134-R138 VanDerWaalsContact O-CB 3.26Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 2.92Å
135Q77.8Confident70.3Confident13 Ų1375.3 Ų75.36%0.06138%0.38CS..Hα-helixtrans-61.3-46.4176.1-66-61.1-6.800111.4I74 F109 Q131 L132 K137 R138 S139I74-Q135 HydrophobicContact CG1-CG 4.47Å; F109-Q135 HydrophobicContact CE1-CB 4.32Å; F109-Q135 HydrophobicContact CZ-CB 4.07Å; Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 3.45Å; L132-Q135 PolarHBondContact O-N 3.49Å; L132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.01Å; Q135-R138 CarbonylContact O-C 3.6Å; Q135-R138 WeakPolarHBondContact O-CB 3.36Å; Q135-R138 PolarHBondContact O-N 2.9Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; Q135-S139 PolarHBondContact O-N 2.65Å; Q135-S139 PolarHBondContact O-OG 2.83Å
136K74.3Confident69Low76 Ų7677.2 Ų77.233%0.3340%0.4SS..Hα-helixtrans-57.6-44177.2-172.5167.9-176.8167.50112.2F109 L132 L133 S139 F141F109-K136 HydrophobicContact CE1-CB 4.31Å; L132-K136 WeakPolarHBondContact O-CB 3.39Å; L132-K136 PolarHBondContact O-N 3.45Å; L133-K136 PolarHBondContact O-N 3.18Å; K136-S139 WeakPolarHBondContact CA-OG 3.27Å; K136-S139 PolarHBondContact O-OG 2.72Å; K136-F141 HydrophobicContact CD-CD2 4.26Å; K136-F141 HydrophobicContact CD-CG 4.35Å; K136-F141 HydrophobicContact CG-CB 3.85Å; K136-F141 HydrophobicContact CG-CD2 3.59Å; K136-F141 HydrophobicContact CG-CE2 4.32Å; K136-F141 HydrophobicContact CG-CG 3.8Å; K136-F141 WeakPolarHBondContact O-CB 3.12Å; K136-F141 PolarHBondContact O-N 3.11Å
137K66.9Low67.8Low138 Ų13879.3 Ų79.360%0.641%0.406SS*.Hα-helixtrans-66.6-40.5175.1-73.2178.2178.8-173.60112L133 V134 Q135 G140L133-K137 HydrophobicContact CG-CD 4.47Å; L133-K137 WeakPolarHBondContact O-CB 3.22Å; L133-K137 VanDerWaalsContact O-CG 3.27Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 2.92Å; V134-K137 PolarHBondContact O-N 3.01Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.01Å; K137-G140 PolarHBondContact O-N 2.98Å; K137-G140 VanDerWaalsContact O-N 3.12Å
138R63.3Low66.9Low188 Ų18879.7 Ų79.771%0.70941%0.411SS*.Hα-helixtrans-67.5-34.9178.9-173.1176.5178.4175.8-1.6112.3V134 Q135 G140V134-R138 VanDerWaalsContact O-CB 3.26Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 2.92Å; Q135-R138 CarbonylContact O-C 3.6Å; Q135-R138 WeakPolarHBondContact O-CB 3.36Å; Q135-R138 PolarHBondContact O-N 2.9Å; Q135-R138 VanDerWaalsContact O-N 3.08Å; R138-G140 PolarHBondContact O-N 3.33Å
139S57Low66.3Low82 Ų8284.5 Ų84.557%0.57344%0.436SS*.THydrogen-bonded Turntrans-75.33.6172.547.90000114Q135 K136Q135-S139 PolarHBondContact O-N 2.65Å; Q135-S139 PolarHBondContact O-OG 2.83Å; K136-S139 WeakPolarHBondContact CA-OG 3.27Å; K136-S139 PolarHBondContact O-OG 2.72Å
140G54.4Low65.7Low50 Ų5087.1 Ų87.152%0.51545%0.449SS..THydrogen-bonded Turntrans90.821.8169.100000115.8K137 R138 R142K137-G140 PolarHBondContact O-N 2.98Å; K137-G140 VanDerWaalsContact O-N 3.12Å; R138-G140 PolarHBondContact O-N 3.33Å; G140-R142 PolarHBondContact O-N 3.45Å
141F48.4Very low65.3Low124 Ų12487 Ų8754%0.54445%0.452SS..  trans-65.589164.3-100.8-89.6000109.5K136K136-F141 HydrophobicContact CD-CD2 4.26Å; K136-F141 HydrophobicContact CD-CG 4.35Å; K136-F141 HydrophobicContact CG-CB 3.85Å; K136-F141 HydrophobicContact CG-CD2 3.59Å; K136-F141 HydrophobicContact CG-CE2 4.32Å; K136-F141 HydrophobicContact CG-CG 3.8Å; K136-F141 WeakPolarHBondContact O-CB 3.12Å; K136-F141 PolarHBondContact O-N 3.11Å
142R48.5Very low64.9Low172 Ų17290.5 Ų90.565%0.64947%0.47SS*.  trans-77.2122.7163.4-67.1-178.3177.7-146.4-0.9107.1G140 H144 D147G140-R142 PolarHBondContact O-N 3.45Å; R142-H144 PolarHBondContact O-N 3.11Å; R142-D147 IonicContact NH1-OD1 3.01Å; R142-D147 PolarHBondContact NH1-OD1 2.78Å
143T48.6Very low64.8Low108 Ų10895.7 Ų95.766%0.66350%0.498SS*.  trans-59.9121.9156.747.50000106.4T145 G146T143-T145 PolarHBondContact O-N 3.48Å; T143-G146 PolarHBondContact O-N 3.08Å
144H50.2Low64.7Low129 Ų12997.3 Ų97.360%0.59751%0.507SS*.THydrogen-bonded Turntrans-47.9-23-178.2-153.6-97.7000113.5R142 G146 D147 E148R142-H144 PolarHBondContact O-N 3.11Å; H144-G146 VanDerWaalsContact C-N 3.26Å; H144-G146 PolarHBondContact O-N 3.36Å; H144-D147 PolarHBondContact O-N 3.45Å; H144-D147 VanDerWaalsContact O-N 3.11Å; H144-E148 IonicContact CE1-OE1 2.95Å; H144-E148 IonicContact CG-OE1 3.77Å; H144-E148 IonicContact ND1-OE1 2.79Å; H144-E148 PolarHBondContact ND1-OE1 3.49Å; H144-E148 WeakPolarHBondContact O-CG 3.39Å; H144-E148 PolarHBondContact O-N 3.11Å
145T53.5Low64.4Low80 Ų8099.8 Ų99.849%0.49151%0.513SS..Hα-helixtrans-49.3-37172.1-38.60000114.6T143 L149T143-T145 PolarHBondContact O-N 3.48Å; T145-L149 HydrophobicContact CG2-CD1 4.44Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.08Å; T145-L149 PolarHBondContact O-N 3.45Å; T145-L149 VanDerWaalsContact O-N 3.09Å
146G56.7Low64.1Low40 Ų40107 Ų10741%0.41254%0.54SS..Hα-helixtrans-72.7-37.1179.700000112.9T143 H144 K150T143-G146 PolarHBondContact O-N 3.08Å; H144-G146 VanDerWaalsContact C-N 3.26Å; H144-G146 PolarHBondContact O-N 3.36Å; G146-K150 VanDerWaalsContact O-CB 3.29Å; G146-K150 WeakPolarHBondContact O-CB 3.5Å; G146-K150 PolarHBondContact O-N 2.83Å; G146-K150 VanDerWaalsContact O-N 3.08Å
147D58.8Low64Low64 Ų64111.2 Ų111.234%0.34255%0.553SS.*Hα-helixtrans-77.8-34178.8-66.7-36.5000110.9R142 H144 K150 A151R142-D147 IonicContact NH1-OD1 3.01Å; R142-D147 PolarHBondContact NH1-OD1 2.78Å; H144-D147 PolarHBondContact O-N 3.45Å; H144-D147 VanDerWaalsContact O-N 3.11Å; D147-K150 PolarHBondContact O-N 2.74Å; D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.68Å
148E65.2Low63.9Low96 Ų96107.5 Ų107.545%0.44954%0.543SS..Hα-helixtrans-61.9-50.4170.7-73.9167.9-168.100112.3H144 K150 A151 I152H144-E148 IonicContact CE1-OE1 2.95Å; H144-E148 IonicContact CG-OE1 3.77Å; H144-E148 IonicContact ND1-OE1 2.79Å; H144-E148 PolarHBondContact ND1-OE1 3.49Å; H144-E148 WeakPolarHBondContact O-CG 3.39Å; H144-E148 PolarHBondContact O-N 3.11Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.65Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.37Å; E148-A151 VanDerWaalsContact O-N 3.16Å; E148-I152 VanDerWaalsContact O-CG1 3.32Å; E148-I152 WeakPolarHBondContact O-CG1 3.47Å; E148-I152 PolarHBondContact O-N 3.49Å
149L71.6Confident63.6Low100 Ų100103.8 Ų103.852%0.52453%0.533SS..Hα-helixtrans-60-41175.8-74171.8000111.2T145 A151 I152 L153T145-L149 HydrophobicContact CG2-CD1 4.44Å; T145-L149 WeakPolarHBondContact O-CB 3.32Å; T145-L149 VanDerWaalsContact O-CG 3.27Å; T145-L149 WeakPolarHBondContact O-CG 3.08Å; T145-L149 PolarHBondContact O-N 3.45Å; T145-L149 VanDerWaalsContact O-N 3.09Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 VanDerWaalsContact O-CG 3.22Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å
150K73.9Confident63.8Low144 Ų144104.4 Ų104.463%0.62653%0.533SS*.Hα-helixtrans-64.5-38.8176.4-167.3175.8-179.3-176.40111.8G146 D147 E148 N154G146-K150 VanDerWaalsContact O-CB 3.29Å; G146-K150 WeakPolarHBondContact O-CB 3.5Å; G146-K150 PolarHBondContact O-N 2.83Å; G146-K150 VanDerWaalsContact O-N 3.08Å; D147-K150 PolarHBondContact O-N 2.74Å; E148-K150 VanDerWaalsContact C-N 3.28Å; E148-K150 PolarHBondContact O-N 2.65Å; K150-N154 VanDerWaalsContact O-CB 3.27Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.03Å
151A75.6Confident63.9Low62 Ų62107.7 Ų107.751%0.51254%0.535SS..Hα-helixtrans-65.6-43.7174.900000112D147 E148 L149 N154 H155D147-A151 WeakPolarHBondContact O-CB 3.49Å; D147-A151 PolarHBondContact O-N 2.68Å; E148-A151 WeakPolarHBondContact O-CB 3.48Å; E148-A151 PolarHBondContact O-N 3.37Å; E148-A151 VanDerWaalsContact O-N 3.16Å; L149-A151 VanDerWaalsContact C-N 3.35Å; A151-N154 PolarHBondContact O-N 2.81Å; A151-H155 WeakPolarHBondContact O-CB 3.31Å; A151-H155 PolarHBondContact O-N 2.73Å
152I74.6Confident64.2Low83 Ų83108.4 Ų108.443%0.42654%0.544SS..Hα-helixtrans-62.8-45.3176.4-66.3163.8000111E148 L149 H155 R156E148-I152 VanDerWaalsContact O-CG1 3.32Å; E148-I152 WeakPolarHBondContact O-CG1 3.47Å; E148-I152 PolarHBondContact O-N 3.49Å; L149-I152 PolarHBondContact O-N 2.98Å; I152-H155 PolarHBondContact O-N 3.09Å; I152-R156 WeakPolarHBondContact O-CG 3.33Å; I152-R156 PolarHBondContact O-N 3.36Å
153L81.5Confident64.5Low117 Ų117104 Ų10461%0.61354%0.54SS*.Hα-helixtrans-64.4-40.8177.6-71.9171.6000111.6L149 R156 R157L149-L153 WeakPolarHBondContact O-CB 3.29Å; L149-L153 VanDerWaalsContact O-CG 3.22Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 3.09Å; L153-R156 PolarHBondContact O-N 3.28Å; L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 PolarHBondContact O-N 2.85Å
154N77.8Confident64.9Low102 Ų102105.5 Ų105.555%0.54554%0.543SS..Hα-helixtrans-66.1-44.1177.5-161.149.8000111.5K150 A151 R156 R157 T158K150-N154 VanDerWaalsContact O-CB 3.27Å; K150-N154 WeakPolarHBondContact O-CB 3.34Å; K150-N154 PolarHBondContact O-N 3.03Å; A151-N154 PolarHBondContact O-N 2.81Å; N154-R156 PolarHBondContact O-N 3.32Å; N154-R157 WeakPolarHBondContact O-CB 3.43Å; N154-R157 PolarHBondContact O-N 3.31Å; N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 3.36Å
155H74.1Confident64.9Low127 Ų127107.8 Ų107.859%0.58855%0.554SS**Hα-helixtrans-61.1-42.7176.8-176.470.1000112.5A151 I152 T158 H159A151-H155 WeakPolarHBondContact O-CB 3.31Å; A151-H155 PolarHBondContact O-N 2.73Å; I152-H155 PolarHBondContact O-N 3.09Å; H155-T158 WeakPolarHBondContact CA-OG1 3.34Å; H155-T158 PolarHBondContact O-OG1 2.9Å; H155-H159 WeakPolarHBondContact O-CB 3.43Å; H155-H159 PolarHBondContact O-N 2.96Å
156R71.9Confident64.6Low166 Ų166108.3 Ų108.363%0.62657%0.566SS**Hα-helixtrans-66.1-38.7174.5-72.8178.6-179.9-177.10.4112I152 L153 N154 H159 V160I152-R156 WeakPolarHBondContact O-CG 3.33Å; I152-R156 PolarHBondContact O-N 3.36Å; L153-R156 PolarHBondContact O-N 3.28Å; N154-R156 PolarHBondContact O-N 3.32Å; R156-H159 PolarHBondContact O-N 3.36Å; R156-V160 VanDerWaalsContact O-CG2 3.29Å; R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.42Å
157R72.4Confident64.2Low163 Ų163111 Ų11162%0.61559%0.585SS**Hα-helixtrans-63-46.5177.1-172.7167.6-177.594.69.4111.6L153 N154 H159 V160 E161L153-R157 VanDerWaalsContact O-CB 3.31Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 PolarHBondContact O-N 2.85Å; N154-R157 WeakPolarHBondContact O-CB 3.43Å; N154-R157 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact C-N 3.33Å; R157-H159 PolarHBondContact O-N 3.43Å; R157-V160 PolarHBondContact O-N 2.9Å; R157-E161 IonicContact NE-OE1 3.69Å; R157-E161 IonicContact NH2-OE1 3.72Å; R157-E161 PolarHBondContact O-N 3.13Å; R157-E161 VanDerWaalsContact O-N 3.08Å
158T63.4Low64Low61 Ų61112.9 Ų112.937%0.37461%0.609SS.*Hα-helixtrans-64.8-35.9176.452.40000112.5N154 H155 E161 L162N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 2.91Å; N154-T158 PolarHBondContact O-OG1 3.36Å; H155-T158 WeakPolarHBondContact CA-OG1 3.34Å; H155-T158 PolarHBondContact O-OG1 2.9Å; T158-E161 PolarHBondContact O-N 3.44Å; T158-L162 WeakPolarHBondContact O-CG 3.27Å; T158-L162 PolarHBondContact O-N 2.99Å; T158-L162 VanDerWaalsContact O-N 3.11Å
159H58.6Low63.6Low110 Ų110115.1 Ų115.151%0.50962%0.624SS.*Hα-helixtrans-69.5-36.7177.3-170.9-63.2000112.5H155 R156 R157 L162 S163H155-H159 WeakPolarHBondContact O-CB 3.43Å; H155-H159 PolarHBondContact O-N 2.96Å; R156-H159 PolarHBondContact O-N 3.36Å; R157-H159 VanDerWaalsContact C-N 3.33Å; R157-H159 PolarHBondContact O-N 3.43Å; H159-L162 PolarHBondContact O-N 3.47Å; H159-S163 PolarHBondContact O-N 2.95Å; H159-S163 VanDerWaalsContact O-N 3.11Å; H159-S163 PolarHBondContact O-OG 2.99Å; H159-S163 VanDerWaalsContact O-OG 3.11Å
160V60.1Low63.1Low94 Ų94118.5 Ų118.557%0.5764%0.638SS**Hα-helixtrans-69.5-36.9176.2169.60000111.3R156 R157 S163 N164R156-V160 VanDerWaalsContact O-CG2 3.29Å; R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.42Å; R157-V160 PolarHBondContact O-N 2.9Å; V160-S163 PolarHBondContact O-N 3.33Å; V160-N164 PolarHBondContact O-N 2.96Å
161E55.8Low62.3Low119 Ų119116 Ų11656%0.55664%0.636SS**Hα-helixtrans-66.8-35.5174.7-73.1177.4-179.900112R157 T158 N164R157-E161 IonicContact NE-OE1 3.69Å; R157-E161 IonicContact NH2-OE1 3.72Å; R157-E161 PolarHBondContact O-N 3.13Å; R157-E161 VanDerWaalsContact O-N 3.08Å; T158-E161 PolarHBondContact O-N 3.44Å; E161-N164 PolarHBondContact O-N 3.28Å
162L56.1Low61.4Low140 Ų140119 Ų11973%0.73365%0.647SS**Hα-helixtrans-71.2-29.4174.2-73.6164.8000114T158 H159 N164T158-L162 WeakPolarHBondContact O-CG 3.27Å; T158-L162 PolarHBondContact O-N 2.99Å; T158-L162 VanDerWaalsContact O-N 3.11Å; H159-L162 PolarHBondContact O-N 3.47Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 3Å
163S54.6Low60.6Low80 Ų80123.7 Ų123.756%0.55967%0.665SS**THydrogen-bonded Turntrans-81.5-4.9178.5-61.60000113.9H159 V160H159-S163 PolarHBondContact O-N 2.95Å; H159-S163 VanDerWaalsContact O-N 3.11Å; H159-S163 PolarHBondContact O-OG 2.99Å; H159-S163 VanDerWaalsContact O-OG 3.11Å; V160-S163 PolarHBondContact O-N 3.33Å
164N56.2Low59.5Low139 Ų139123.1 Ų123.174%0.74367%0.667SS**THydrogen-bonded Turntrans-104.76.3-179.8-111.927.4000114.1V160 E161 L162 A166V160-N164 PolarHBondContact O-N 2.96Å; E161-N164 PolarHBondContact O-N 3.28Å; L162-N164 VanDerWaalsContact C-N 3.28Å; L162-N164 PolarHBondContact O-N 3Å; N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.35Å
165E49.8Very low58.7Low177 Ų177125.7 Ų125.783%0.82768%0.679SS**SBendtrans-76.690.6166.3-160.8124.798.700108A167E165-A167 PolarHBondContact O-N 3.42Å; E165-A167 VanDerWaalsContact O-N 3.09Å
166A47.6Very low57.5Low90 Ų90125.9 Ų125.974%0.74468%0.684SS**  trans-53115176.400000109.6N164 A168N164-A166 VanDerWaalsContact C-N 3.32Å; N164-A166 PolarHBondContact O-N 3.35Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.48Å
167A49.5Very low56.9Low98 Ų98123.7 Ų123.781%0.8169%0.692SS**  trans-60.195.1164.300000108.1E165 D169E165-A167 PolarHBondContact O-N 3.42Å; E165-A167 VanDerWaalsContact O-N 3.09Å; A167-D169 PolarHBondContact O-N 2.84Å
168A54.1Low55.8Low102 Ų102123.9 Ų123.984%0.84370%0.703SS**  trans-74.575.6164.300000108.1A166A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.48Å
169D55.9Low55.2Low144 Ų144132.2 Ų132.277%0.7774%0.744SS**  trans-136.591160.1-156.364000107.1A167A167-D169 PolarHBondContact O-N 2.84Å
170E62Low55.1Low171 Ų171133.4 Ų133.480%0.79976%0.756SS**  trans-62.4125.1171.4-76.7-82136.100108.5V172E170-V172 PolarHBondContact O-N 3Å
171P56.8Low54.8Low91 Ų91135.4 Ų135.459%0.59177%0.766SS**  trans-68.5106.6175.427.1-32.4000109.6F173P171-F173 HydrophobicContact CB-CE2 4.37Å; P171-F173 HydrophobicContact CG-CE2 4.2Å; P171-F173 WeakPolarHBondContact O-CD2 3.45Å; P171-F173 PolarHBondContact O-N 2.99Å
172V57.3Low54.7Low124 Ų124136.3 Ų136.375%0.75278%0.777SS**  trans-66.1101.3170.5174.90000108.7E170 T174E170-V172 PolarHBondContact O-N 3Å; V172-T174 PolarHBondContact O-N 3.05Å
173F56.2Low54.7Low182 Ų182136.1 Ų136.180%0.79878%0.78SS**  trans-72.693.4167-77.3-87.7000109.2P171 I175P171-F173 HydrophobicContact CB-CE2 4.37Å; P171-F173 HydrophobicContact CG-CE2 4.2Å; P171-F173 WeakPolarHBondContact O-CD2 3.45Å; P171-F173 PolarHBondContact O-N 2.99Å; F173-I175 PolarHBondContact O-N 3.12Å; F173-I175 VanDerWaalsContact O-N 3.12Å
174T59.5Low54.7Low105 Ų105139.6 Ų139.664%0.64479%0.794SS**  trans-72.2103.7170.9-40.90000109.1V172 N176V172-T174 PolarHBondContact O-N 3.05Å; T174-N176 PolarHBondContact O-N 3.28Å
175I60.1Low54.6Low156 Ų156139.7 Ų139.780%0.880%0.797SS**  trans-74.1108.1168.4-57.8-178.6000107.2F173F173-I175 PolarHBondContact O-N 3.12Å; F173-I175 VanDerWaalsContact O-N 3.12Å
176N50.3Low54.9Low131 Ų131137 Ų13770%0.70180%0.795SS**PPolyproline II helixtrans-70.7128.2172.8-74.2-52.9000110T174T174-N176 PolarHBondContact O-N 3.28Å
177P58.5Low55.5Low121 Ų121140.6 Ų140.679%0.78680%0.799SS**PPolyproline II helixtrans-72.6131.417228.7-30.6000110.1
178I50Low56Low167 Ų167144.2 Ų144.286%0.85680%0.798SS**PPolyproline II helixtrans-72.4123.9171.1-60.9169.5000107.1
179L51Low56.2Low236 Ų236148 Ų148100%1.23679%0.794SS**  trans-67.10170-84.2166.2000111.4

Retrieved 179 of 179 residues in 73.5 ms (Link to these results)