A0A090BZQ0_RAT Loading...

Vasoactive intestinal polypeptide

VIP is a neuropeptide involved in a diverse array of physiological processes through activating the PACAP subfamily of class B1 G protein-coupled receptors: VIP receptor 1 (VPR1) and VIP receptor 2 (VPR2). Abundantly expressed throughout the CNS and peripheral nervous systems where they primarily exert neuroprotective and immune modulatory roles. Also causes vasodilation, lowers arterial blood pressure, stimulates myocardial contractility, increases glycogenolysis and relaxes the smooth muscle of trachea, stomach and gall bladder.

AlphaFold DB (P01283), UniProt , Accession A0A090BZQ0, Species RAT (Rattus norvegicus, Rat), Gene Vip, Length 170 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
1M47Very low71.4Confident235 Ų235132.6 Ų132.6100%1.15867%0.669SS**  088.10-106.816067.900108.1
2E54.9Low72.8Confident169 Ų169129.2 Ų129.279%0.7965%0.653SS**  trans-63.3136-176-68.888.6174.100113.7
3S59.1Low74.1Confident91 Ų91128.4 Ų128.464%0.63665%0.65SS**  trans28.591.4142.765.30000119.2
4R62.5Low75.2Confident220 Ų220125.3 Ų125.383%0.8364%0.641SS**  trans-1202.4157.8-80.4-177.4162.2-178.6-4.8114.7P7R4-P7 WeakPolarHBondContact O-CD 3.24Å
5S68.4Low76.2Confident54 Ų54123.9 Ų123.938%0.37864%0.635SS.*  trans-83.9-20.9-172580000115.1Q8 F9S5-Q8 PolarHBondContact O-N 2.67Å; S5-Q8 VanDerWaalsContact O-N 3.13Å; S5-F9 WeakPolarHBondContact O-CD2 3.45Å; S5-F9 PolarHBondContact O-N 2.75Å
6K70.9Confident77Confident161 Ų161124.3 Ų124.370%0.763%0.631SS**Hα-helixtrans-55-47.4-177-67-177177.9179.60114.4Q8K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.46Å
7P80.6Confident77.5Confident89 Ų89120.9 Ų120.958%0.57862%0.621SS**Hα-helixtrans-70.4-26.717927.7-35000113.2R4 L10 A11R4-P7 WeakPolarHBondContact O-CD 3.24Å; P7-L10 PolarHBondContact O-N 3.03Å; P7-A11 PolarHBondContact O-N 3.01Å; P7-A11 VanDerWaalsContact O-N 3.1Å
8Q82.6Confident78Confident127 Ų127118.7 Ų118.759%0.59361%0.614SS**Hα-helixtrans-67.9-42.2179.1-65.9-177.8-21.400111.5S5 K6 L10 A11 I12S5-Q8 PolarHBondContact O-N 2.67Å; S5-Q8 VanDerWaalsContact O-N 3.13Å; K6-Q8 VanDerWaalsContact C-N 3.31Å; K6-Q8 PolarHBondContact O-N 3.46Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 2.75Å; Q8-A11 PolarHBondContact O-N 3.41Å; Q8-I12 VanDerWaalsContact O-CG1 3.3Å; Q8-I12 WeakPolarHBondContact O-CG1 3.47Å; Q8-I12 PolarHBondContact O-N 3.31Å
9F85.3Confident78.1Confident137 Ų137117.3 Ų117.360%0.60161%0.607SS**Hα-helixtrans-63.5-39.1176.8-72-66.7000112.5S5 I12 L13S5-F9 WeakPolarHBondContact O-CD2 3.45Å; S5-F9 PolarHBondContact O-N 2.75Å; F9-I12 PolarHBondContact O-N 3.11Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.8Å
10L86.5Confident78Confident117 Ų117118.6 Ų118.661%0.61361%0.608SS**Hα-helixtrans-64.3-41.9175.7-67.2178000111.5P7 Q8 I12 L13 T14P7-L10 PolarHBondContact O-N 3.03Å; Q8-L10 VanDerWaalsContact C-N 3.33Å; Q8-L10 PolarHBondContact O-N 2.75Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.01Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 3.42Å; L10-T14 PolarHBondContact O-OG1 2.91Å
11A87.3Confident77.9Confident59 Ų59116.9 Ų116.949%0.48861%0.606SS.*Hα-helixtrans-64.4-37176.100000112.9P7 Q8 T14 L15P7-A11 PolarHBondContact O-N 3.01Å; P7-A11 VanDerWaalsContact O-N 3.1Å; Q8-A11 PolarHBondContact O-N 3.41Å; A11-T14 PolarHBondContact O-OG1 3.15Å; A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 PolarHBondContact O-N 3.42Å
12I89.1Confident78.7Confident91 Ų91111.5 Ų111.547%0.46758%0.578SS.*Hα-helixtrans-69.2-43.7175.8-66.9164.1000110.3Q8 F9 L10 T14 L15 F16Q8-I12 VanDerWaalsContact O-CG1 3.3Å; Q8-I12 WeakPolarHBondContact O-CG1 3.47Å; Q8-I12 PolarHBondContact O-N 3.31Å; F9-I12 PolarHBondContact O-N 3.11Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.01Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.13Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-F16 HydrophobicContact CG2-CD2 3.7Å; I12-F16 HydrophobicContact CG2-CE2 3.81Å; I12-F16 WeakPolarHBondContact O-CD2 3.18Å; I12-F16 PolarHBondContact O-N 3.45Å
13L88.8Confident79Confident119 Ų119106.8 Ų106.862%0.62356%0.564SS**Hα-helixtrans-61.7-42179.8-170.973.5000111.8F9 L10 F16 S17F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 3.1Å; L13-F16 PolarHBondContact O-N 3.48Å; L13-S17 PolarHBondContact O-N 3.35Å
14T90.1Very high79Confident85 Ų85109 Ų10952%0.52157%0.569SS.*Hα-helixtrans-65.5-41.6176.655.40000111.5L10 A11 I12 F16 S17 V18L10-T14 WeakPolarHBondContact O-CG2 3.37Å; L10-T14 PolarHBondContact O-N 3.42Å; L10-T14 PolarHBondContact O-OG1 2.91Å; A11-T14 PolarHBondContact O-OG1 3.15Å; I12-T14 VanDerWaalsContact C-N 3.34Å; I12-T14 PolarHBondContact O-N 3.13Å; T14-F16 PolarHBondContact O-N 3.25Å; T14-S17 PolarHBondContact O-N 2.88Å; T14-S17 PolarHBondContact O-OG 3.15Å; T14-V18 WeakPolarHBondContact O-CG2 3.4Å; T14-V18 PolarHBondContact O-N 3.12Å; T14-V18 VanDerWaalsContact O-N 3.11Å
15L90.5Very high78.7Confident104 Ų104102 Ų10255%0.54556%0.557SS.*Hα-helixtrans-59.3-45.8175.1-170.7111.4000111.8A11 I12 S17 V18 L19A11-L15 WeakPolarHBondContact O-CB 3.33Å; A11-L15 PolarHBondContact O-N 3.42Å; I12-L15 WeakPolarHBondContact O-CB 3.37Å; I12-L15 PolarHBondContact O-N 3.09Å; L15-S17 PolarHBondContact O-N 3.01Å; L15-V18 PolarHBondContact O-N 2.96Å; L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CG-CD1 4.28Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.05Å
16F88.1Confident77.8Confident131 Ų131110 Ų11058%0.57558%0.579SS**Hα-helixtrans-61.5-41.2176.6-93.9-79.6000112.4I12 L13 T14 V18 L19 F20I12-F16 HydrophobicContact CG2-CD2 3.7Å; I12-F16 HydrophobicContact CG2-CE2 3.81Å; I12-F16 WeakPolarHBondContact O-CD2 3.18Å; I12-F16 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.48Å; T14-F16 PolarHBondContact O-N 3.25Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.46Å; F16-L19 PolarHBondContact O-N 2.92Å; F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 2.92Å
17S85.8Confident77.2Confident66 Ų66107.9 Ų107.946%0.46258%0.582SS.*Hα-helixtrans-64-35.7177.469.70000113.2L13 T14 L15 S21L13-S17 PolarHBondContact O-N 3.35Å; T14-S17 PolarHBondContact O-N 2.88Å; T14-S17 PolarHBondContact O-OG 3.15Å; L15-S17 PolarHBondContact O-N 3.01Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.15Å; S17-S21 PolarHBondContact O-OG 2.88Å
18V86.1Confident75.9Confident81 Ų81111.7 Ų111.749%0.49160%0.597SS.*Hα-helixtrans-70.1-44.1177.9171.50000110.5T14 L15 F16 S21 Q22T14-V18 WeakPolarHBondContact O-CG2 3.4Å; T14-V18 PolarHBondContact O-N 3.12Å; T14-V18 VanDerWaalsContact O-N 3.11Å; L15-V18 PolarHBondContact O-N 2.96Å; F16-V18 VanDerWaalsContact C-N 3.32Å; F16-V18 PolarHBondContact O-N 3.46Å; V18-S21 PolarHBondContact O-N 2.85Å; V18-Q22 PolarHBondContact O-N 2.75Å
19L80.3Confident74.7Confident92 Ų92116.5 Ų116.548%0.48261%0.611SS.*Hα-helixtrans-64-41.4177.9-72.4170.7000112.3L15 F16 S21 Q22 S23L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CG-CD1 4.28Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 2.92Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.38Å; L19-Q22 PolarHBondContact O-N 3.42Å; L19-Q22 VanDerWaalsContact O-N 3.15Å; L19-S23 PolarHBondContact O-N 2.71Å; L19-S23 VanDerWaalsContact O-N 3.16Å
20F77.4Confident72.9Confident144 Ų144112.5 Ų112.563%0.63261%0.609SS**Hα-helixtrans-67.8-30.7178.7-142.6-89.5000112.3F16 Q22 S23 L24F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 2.92Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 2.97Å; F20-S23 PolarHBondContact O-OG 3.18Å; F20-S23 VanDerWaalsContact O-OG 3.05Å; F20-L24 HydrophobicContact CD1-CD1 4.44Å
21S75.4Confident71.1Confident82 Ų82112.5 Ų112.557%0.57362%0.616SS**Hα-helixtrans-69.1-29.6173.9-570000112.1S17 V18 L19S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 VanDerWaalsContact O-N 3.15Å; S17-S21 PolarHBondContact O-OG 2.88Å; V18-S21 PolarHBondContact O-N 2.85Å; L19-S21 VanDerWaalsContact C-N 3.27Å; L19-S21 PolarHBondContact O-N 3.38Å
22Q62.8Low69.7Low122 Ų122116 Ų11657%0.5763%0.633SS**Hα-helixtrans-79.1-32.9177.8-77.5173.1-3.100113.3V18 L19 F20 L24 A25V18-Q22 PolarHBondContact O-N 2.75Å; L19-Q22 PolarHBondContact O-N 3.42Å; L19-Q22 VanDerWaalsContact O-N 3.15Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 2.97Å; Q22-L24 PolarHBondContact O-N 2.77Å; Q22-A25 PolarHBondContact O-N 3.28Å; Q22-A25 VanDerWaalsContact O-N 3.12Å
23S61.2Low67.9Low71 Ų71116.7 Ų116.750%0.49765%0.646SS.*Hα-helixtrans-67.4-25.7-179.463.90000113.2L19 F20 A25L19-S23 PolarHBondContact O-N 2.71Å; L19-S23 VanDerWaalsContact O-N 3.16Å; F20-S23 PolarHBondContact O-OG 3.18Å; F20-S23 VanDerWaalsContact O-OG 3.05Å; S23-A25 VanDerWaalsContact C-N 3.27Å; S23-A25 PolarHBondContact O-N 2.8Å
24L59.2Low65.7Low138 Ų138116.4 Ų116.472%0.72365%0.654SS**THydrogen-bonded Turntrans-75.8-14.2175.2-77.5153.4000113.4F20 Q22F20-L24 HydrophobicContact CD1-CD1 4.44Å; Q22-L24 PolarHBondContact O-N 2.77Å
25A57Low63.8Low72 Ų72118.6 Ų118.660%0.59567%0.667SS**THydrogen-bonded Turntrans-96.614.2-177.100000113.4Q22 S23 P27Q22-A25 PolarHBondContact O-N 3.28Å; Q22-A25 VanDerWaalsContact O-N 3.12Å; S23-A25 VanDerWaalsContact C-N 3.27Å; S23-A25 PolarHBondContact O-N 2.8Å; A25-P27 WeakPolarHBondContact O-CD 3.38Å
26W48.7Very low61.3Low221 Ų221124.7 Ų124.784%0.83768%0.683SS**  trans-82.9107.4166.9-80.216000108.4L28W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 3.44Å
27P58.2Low59.4Low118 Ų118126.7 Ų126.777%0.76670%0.699SS**  trans-61.9105.3168.527-31.6000106.1A25 Y29A25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-Y29 PolarHBondContact O-N 3.32Å
28L54Low57.1Low168 Ų168130.8 Ų130.888%0.8872%0.715SS**  trans-52.6110.7170.3-174.167000106.2W26 G30W26-L28 VanDerWaalsContact C-N 3.32Å; W26-L28 PolarHBondContact O-N 3.44Å; L28-G30 PolarHBondContact O-N 2.89Å; L28-G30 VanDerWaalsContact O-N 3.13Å
29Y57.4Low55Low229 Ų229133.5 Ų133.590%0.89873%0.727SS**  trans-20.8105.5-175.4-136.7-103.8000112.8P27P27-Y29 PolarHBondContact O-N 3.32Å
30G47.7Very low52.9Low53 Ų53140 Ų14055%0.54675%0.745SS.*  trans-61.3146.5175.100000111.1L28L28-G30 PolarHBondContact O-N 2.89Å; L28-G30 VanDerWaalsContact O-N 3.13Å
31P49.3Very low51.2Low117 Ų117141 Ų14176%0.7676%0.756SS**  trans-62.3151.1-171.425.5-34.1000112.1S33P31-S33 PolarHBondContact O-N 3.25Å
32P57.1Low49.4Very low131 Ų131145.5 Ų145.585%0.85177%0.768SS**  trans-60.3110.6-168.724.8-34000110.2S34P32-S34 PolarHBondContact O-N 2.91Å
33S51.2Low48.7Very low106 Ų106148.5 Ų148.574%0.74178%0.78SS**  trans-58.9112.1171520000108.6P31 V35P31-S33 PolarHBondContact O-N 3.25Å; S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 3.39Å
34S43.1Very low47.9Very low113 Ų113153.4 Ų153.479%0.7980%0.795SS**  trans-46.393169.2169.50000110.4P32 R36P32-S34 PolarHBondContact O-N 2.91Å; S34-R36 PolarHBondContact O-N 3.24Å; S34-R36 VanDerWaalsContact O-N 3.14Å
35V49.3Very low47Very low132 Ų132149.5 Ų149.580%0.879%0.788SS**  trans-65.4113.7167.9-77.90000107.4S33 L37S33-V35 VanDerWaalsContact C-N 3.35Å; S33-V35 PolarHBondContact O-N 3.39Å; V35-L37 PolarHBondContact O-N 2.93Å
36R39.1Very low46.4Very low232 Ų232150.7 Ų150.788%0.87580%0.798SS**  trans-48.8109.7174.6-79.4175162.8-175.7-5.4110S34 D38S34-R36 PolarHBondContact O-N 3.24Å; S34-R36 VanDerWaalsContact O-N 3.14Å; R36-D38 PolarHBondContact O-N 3.05Å
37L47.4Very low46.2Very low172 Ų172143.9 Ų143.990%0.90180%0.796SS**  34.882.5120.2-164.875.5000114.3V35V35-L37 PolarHBondContact O-N 2.93Å
38D38.3Very low45.6Very low153 Ų153142.4 Ų142.482%0.81878%0.782SS**  trans-131.6114.5152-160.259.8000109R36R36-D38 PolarHBondContact O-N 3.05Å
39D40.3Very low45.6Very low138 Ų138138.8 Ų138.874%0.73877%0.769SS**  trans32.3111.8163.3-94.1-18.2000122.8
40R36.6Very low45.4Very low227 Ų227132.9 Ų132.986%0.85775%0.753SS**  72.677.2122.7-163.3179.7164.5169.4-3.7117.6
41L41.3Very low45.8Very low166 Ų166137.2 Ų137.287%0.86976%0.759SS**  trans-147.6100134.4-115.3165000108F43L41-F43 VanDerWaalsContact C-N 3.25Å; L41-F43 PolarHBondContact O-N 3.24Å
42Q39.2Very low46Very low176 Ų176136.8 Ų136.882%0.82275%0.754SS**  trans-64.590.5168-74.3-164.730.900108.1
43F47.7Very low45.9Very low185 Ų185132.9 Ų132.981%0.81173%0.729SS**  trans-98.578.3160.3-168.3-102000107.2L41 G45L41-F43 VanDerWaalsContact C-N 3.25Å; L41-F43 PolarHBondContact O-N 3.24Å; F43-G45 PolarHBondContact O-N 2.88Å
44E43.9Very low46.2Very low175 Ų175134 Ų13482%0.81873%0.726SS**  trans-62.4121.2166.6-17889.5-156.400108.1
45G41.3Very low47Very low55 Ų55135.4 Ų135.457%0.56772%0.718SS**  trans122.877.9164.500000115.5F43F43-G45 PolarHBondContact O-N 2.88Å
46A43.8Very low47.9Very low98 Ų98130.2 Ų130.281%0.8169%0.689SS**  trans-163.693.8136.200000106.3D48A46-D48 PolarHBondContact O-N 3.46Å
47G43.1Very low49.1Very low78 Ų78120.9 Ų120.980%0.80466%0.656SS**  trans-55.4113.3169.200000108P49G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.48Å; G47-P49 VanDerWaalsContact O-N 3.1Å
48D46.1Very low50.1Low87 Ų87116 Ų11647%0.46564%0.637SS.*  trans-58110.1169.5-176.18.2000107.5A46 D50 Q51A46-D48 PolarHBondContact O-N 3.46Å; D48-D50 PolarHBondContact O-N 3.43Å; D48-D50 VanDerWaalsContact O-N 3.09Å; D48-D50 PolarHBondContact OD1-N 2.91Å; D48-Q51 PolarHBondContact O-N 3.35Å
49P53.7Low51.9Low92 Ų92112.5 Ų112.560%0.59762%0.618SS**THydrogen-bonded Turntrans-64.5-14.5-175.328-34.9000112.2G47 Q51 V52 S53G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.48Å; G47-P49 VanDerWaalsContact O-N 3.1Å; P49-Q51 VanDerWaalsContact C-N 3.26Å; P49-Q51 PolarHBondContact O-N 3.13Å; P49-V52 PolarHBondContact O-N 2.61Å; P49-V52 VanDerWaalsContact O-N 3.17Å; P49-S53 PolarHBondContact O-N 3.04Å
50D53.9Low53.3Low105 Ų105107.2 Ų107.256%0.56159%0.59SS**Hα-helixtrans-66.9-28.5-175.7-66.1-5.3000111.8D48 V52 S53 L54D48-D50 PolarHBondContact O-N 3.43Å; D48-D50 VanDerWaalsContact O-N 3.09Å; D48-D50 PolarHBondContact OD1-N 2.91Å; D50-V52 PolarHBondContact O-N 3.38Å; D50-S53 PolarHBondContact O-N 3.31Å; D50-L54 WeakPolarHBondContact O-CG 3.14Å; D50-L54 PolarHBondContact O-N 2.71Å
51Q56.4Low55Low144 Ų144100.7 Ų100.767%0.67357%0.571SS**Hα-helixtrans-69.2-33.1175.9-70.4-171.688.400113D48 P49 K55D48-Q51 PolarHBondContact O-N 3.35Å; P49-Q51 VanDerWaalsContact C-N 3.26Å; P49-Q51 PolarHBondContact O-N 3.13Å; Q51-K55 PolarHBondContact O-N 2.67Å
52V53.8Low56.3Low108 Ų10898.6 Ų98.666%0.65556%0.557SS**Hα-helixtrans-74.9-36.9179.2-174.80000110.5P49 D50 K55 A56P49-V52 PolarHBondContact O-N 2.61Å; P49-V52 VanDerWaalsContact O-N 3.17Å; D50-V52 PolarHBondContact O-N 3.38Å; V52-K55 PolarHBondContact O-N 2.78Å; V52-A56 WeakPolarHBondContact O-CB 3.37Å; V52-A56 PolarHBondContact O-N 3.26Å
53S53.9Low57.7Low49 Ų4995.4 Ų95.434%0.34355%0.546SS..Hα-helixtrans-64.1-42.6177.5-167.80000112.2P49 D50 A56 D57P49-S53 PolarHBondContact O-N 3.04Å; D50-S53 PolarHBondContact O-N 3.31Å; S53-A56 PolarHBondContact O-N 3.43Å; S53-D57 PolarHBondContact O-N 2.78Å
54L58.8Low58.5Low129 Ų12988 Ų8868%0.67552%0.518SS*.Hα-helixtrans-65.3-40.3178.5-68.9176.6000112.3D50 S58D50-L54 WeakPolarHBondContact O-CG 3.14Å; D50-L54 PolarHBondContact O-N 2.71Å; L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 VanDerWaalsContact O-N 3.1Å
55K60.1Low59.5Low143 Ų14384.9 Ų84.962%0.62251%0.507SS*.Hα-helixtrans-61.4-48.3175.6-171.287.2-179.3176.30110.7Q51 V52 D57 S58 D59Q51-K55 PolarHBondContact O-N 2.67Å; V52-K55 PolarHBondContact O-N 2.78Å; K55-D57 PolarHBondContact O-N 3.43Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.33Å; K55-S58 VanDerWaalsContact O-N 3.16Å; K55-D59 PolarHBondContact O-N 3.07Å
56A66.4Low60.6Low23 Ų2384.9 Ų84.919%0.1950%0.502CS..Hα-helixtrans-64.6-38-178.600000112.7V52 S53 S58 D59 I60V52-A56 WeakPolarHBondContact O-CB 3.37Å; V52-A56 PolarHBondContact O-N 3.26Å; S53-A56 PolarHBondContact O-N 3.43Å; A56-S58 VanDerWaalsContact C-N 3.33Å; A56-D59 PolarHBondContact O-N 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.04Å
57D65.9Low61.4Low35 Ų3586.7 Ų86.719%0.18749%0.493CS..Hα-helixtrans-66.3-38.2175.4-72.7-5.1000111S53 K55 D59 I60 L61 K100S53-D57 PolarHBondContact O-N 2.78Å; K55-D57 PolarHBondContact O-N 3.43Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.49Å; D57-I60 PolarHBondContact O-N 3.48Å; D57-L61 WeakPolarHBondContact O-CG 3.34Å; D57-L61 PolarHBondContact O-N 2.96Å; D57-L61 VanDerWaalsContact O-N 3.12Å; D57-K100 IonicContact OD1-NZ 2.78Å
58S68.1Low62.2Low71 Ų7187.6 Ų87.650%0.49748%0.479SS..Hα-helixtrans-62.2-39.8173.1-171.40000112.5L54 K55 A56 I60 L61 Q62L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 VanDerWaalsContact O-N 3.1Å; K55-S58 WeakPolarHBondContact O-CB 3.41Å; K55-S58 PolarHBondContact O-N 3.33Å; K55-S58 VanDerWaalsContact O-N 3.16Å; A56-S58 VanDerWaalsContact C-N 3.33Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.03Å; S58-L61 PolarHBondContact O-N 3.14Å; S58-Q62 PolarHBondContact O-N 3.2Å
59D75.3Confident62.8Low78 Ų7889.3 Ų89.342%0.41749%0.489SS..Hα-helixtrans-65.5-35.9178.8-60-26.4000111K55 A56 D57 Q62 N63K55-D59 PolarHBondContact O-N 3.07Å; A56-D59 PolarHBondContact O-N 3.28Å; D57-D59 VanDerWaalsContact C-N 3.34Å; D57-D59 PolarHBondContact O-N 3.49Å; D59-Q62 PolarHBondContact O-N 2.91Å; D59-N63 WeakPolarHBondContact O-CB 3.1Å; D59-N63 PolarHBondContact O-N 2.85Å; D59-N63 PolarHBondContact O-ND2 3.43Å; D59-N63 PolarHBondContact O-OD1 3.36Å
60I70.3Confident62.7Low28 Ų2889.7 Ų89.714%0.14449%0.49CS..Hα-helixtrans-65.3-43.8173.5-59.7160.1000110.8A56 D57 S58 Q62 N63 A64 L93 I97 K100A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.04Å; D57-I60 PolarHBondContact O-N 3.48Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.03Å; I60-Q62 VanDerWaalsContact C-N 3.26Å; I60-Q62 PolarHBondContact O-N 3.35Å; I60-N63 PolarHBondContact O-N 3.27Å; I60-A64 VanDerWaalsContact O-CB 3.32Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.02Å; I60-L93 HydrophobicContact CG2-CD1 3.99Å; I60-I97 HydrophobicContact CD1-CG1 4.49Å; I60-I97 HydrophobicContact CG2-CG1 4.43Å; I60-K100 HydrophobicContact CD1-CD 3.19Å; I60-K100 HydrophobicContact CG1-CD 4.16Å
61L71.3Confident62.9Low89 Ų8991.1 Ų91.147%0.46650%0.504SS..Hα-helixtrans-60.3-41.2177.1-62.2-164000111D57 S58 L65 L93D57-L61 WeakPolarHBondContact O-CG 3.34Å; D57-L61 PolarHBondContact O-N 2.96Å; D57-L61 VanDerWaalsContact O-N 3.12Å; S58-L61 PolarHBondContact O-N 3.14Å; L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 PolarHBondContact O-N 3.35Å; L61-L93 HydrophobicContact CD2-CD1 3.83Å; L61-L93 HydrophobicContact CD2-CD2 3.59Å; L61-L93 HydrophobicContact CD2-CG 4.2Å
62Q70Confident62.4Low123 Ų12393.1 Ų93.158%0.57551%0.507SS*.Hα-helixtrans-64.3-42.9176.8-171.86347.900111.8S58 D59 I60 A66S58-Q62 PolarHBondContact O-N 3.2Å; D59-Q62 PolarHBondContact O-N 2.91Å; I60-Q62 VanDerWaalsContact C-N 3.26Å; I60-Q62 PolarHBondContact O-N 3.35Å; Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.79Å
63N69Low62.3Low109 Ų10998.2 Ų98.258%0.58352%0.516SS*.Hα-helixtrans-68.8-42.6179.3-68-19.5000112.1D59 I60 L65 A66 E67D59-N63 WeakPolarHBondContact O-CB 3.1Å; D59-N63 PolarHBondContact O-N 2.85Å; D59-N63 PolarHBondContact O-ND2 3.43Å; D59-N63 PolarHBondContact O-OD1 3.36Å; I60-N63 PolarHBondContact O-N 3.27Å; N63-L65 VanDerWaalsContact C-N 3.31Å; N63-L65 PolarHBondContact O-N 3.44Å; N63-A66 PolarHBondContact O-N 3.04Å; N63-E67 PolarHBondContact O-N 3.07Å
64A64.7Low62.3Low28 Ų28100.3 Ų100.323%0.23152%0.523CS..Hα-helixtrans-64.7-36.9177.800000111.8I60 N68 L93I60-A64 VanDerWaalsContact O-CB 3.32Å; I60-A64 WeakPolarHBondContact O-CB 3.46Å; I60-A64 PolarHBondContact O-N 3.02Å; A64-N68 PolarHBondContact O-N 2.8Å; A64-L93 HydrophobicContact CB-CD1 4.02Å
65L62.9Low62.1Low110 Ų110100.5 Ų100.558%0.57653%0.53SS*.Hα-helixtrans-65.3-44.4173.6-155.4168.9000110.4L61 N63 E67 N68L61-L65 WeakPolarHBondContact O-CB 3.5Å; L61-L65 PolarHBondContact O-N 3.35Å; N63-L65 VanDerWaalsContact C-N 3.31Å; N63-L65 PolarHBondContact O-N 3.44Å; L65-E67 PolarHBondContact O-N 3.01Å; L65-N68 PolarHBondContact O-N 3.42Å
66A65.9Low61.9Low56 Ų5698.4 Ų98.446%0.46353%0.533SS..Hα-helixtrans-65.8-34.2178.500000113.8Q62 N63 N68Q62-A66 WeakPolarHBondContact O-CB 3.36Å; Q62-A66 PolarHBondContact O-N 2.79Å; N63-A66 PolarHBondContact O-N 3.04Å; A66-N68 VanDerWaalsContact C-N 3.32Å
67E60.8Low61.4Low135 Ų135107.9 Ų107.963%0.63156%0.564SS**Hα-helixtrans-72.2-27.1178.7-153.4178.3-17000112N63 L65 D69 T70N63-E67 PolarHBondContact O-N 3.07Å; L65-E67 PolarHBondContact O-N 3.01Å; E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 3.49Å; E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.29Å
68N58.9Low60.8Low97 Ų97111 Ų11152%0.51958%0.581SS.*Hα-helixtrans-71.3-17.8179.3-156.8-96.1000113.4A64 L65 A66 T70 D89A64-N68 PolarHBondContact O-N 2.8Å; L65-N68 PolarHBondContact O-N 3.42Å; A66-N68 VanDerWaalsContact C-N 3.32Å; N68-T70 PolarHBondContact O-N 3.03Å; N68-D89 PolarHBondContact ND2-OD2 3.45Å
69D57.9Low60.2Low123 Ų123111.9 Ų111.966%0.65859%0.593SS**THydrogen-bonded Turntrans-70.67.2176-71.9-33.2000113.8E67 P71E67-D69 VanDerWaalsContact C-N 3.26Å; E67-D69 PolarHBondContact O-N 3.49Å; D69-P71 VanDerWaalsContact C-CD 3.46Å; D69-P71 WeakPolarHBondContact O-CD 3.2Å
70T53.3Low59.3Low101 Ų101118.8 Ų118.862%0.6261%0.613SS**  trans-98.887.717053.90000111.1E67 N68 Y72E67-T70 PolarHBondContact O-N 2.88Å; E67-T70 PolarHBondContact O-OG1 3.29Å; N68-T70 PolarHBondContact O-N 3.03Å; T70-Y72 PolarHBondContact O-N 2.97Å
71P56.4Low58.7Low134 Ų134123.2 Ų123.287%0.8763%0.633SS**  trans-75.430.7177.533.8-38.2000112.8D69D69-P71 VanDerWaalsContact C-CD 3.46Å; D69-P71 WeakPolarHBondContact O-CD 3.2Å
72Y47.6Very low58Low186 Ų186123.9 Ų123.973%0.72965%0.651SS**  trans-11378.3179-167.9-92.9000108.9T70T70-Y72 PolarHBondContact O-N 2.97Å
73Y51.7Low57.5Low215 Ų215124.6 Ų124.684%0.84366%0.659SS**SBendtrans-166.7116.4145.7-101.4-70.7000112
74D53.3Low57.1Low93 Ų93120.2 Ų120.250%0.49764%0.639SS.*  trans68.676.6146.4-151.410.2000119.7S76 R77 N78D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 WeakPolarHBondContact OD1-CB 3.27Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.11Å; D74-S76 PolarHBondContact OD1-OG 3.4Å; D74-R77 PolarHBondContact O-N 2.9Å; D74-N78 PolarHBondContact O-OD1 3.43Å
75V55.5Low57Low133 Ų133122.8 Ų122.881%0.80665%0.652SS**THydrogen-bonded Turntrans-48.9-11.1160.5162.70000114.1N78V75-N78 VanDerWaalsContact C-OD1 3.26Å; V75-N78 WeakPolarHBondContact CA-OD1 3.47Å; V75-N78 PolarHBondContact O-OD1 3.05Å; V75-N78 VanDerWaalsContact O-OD1 3.06Å
76S54.1Low56.8Low100 Ų100126.4 Ų126.470%0.69966%0.663SS**THydrogen-bonded Turntrans-89-11.3-178-51.60000114.6D74D74-S76 PolarHBondContact O-N 3.02Å; D74-S76 WeakPolarHBondContact OD1-CB 3.27Å; D74-S76 PolarHBondContact OD1-N 3.45Å; D74-S76 VanDerWaalsContact OD1-N 3.11Å; D74-S76 PolarHBondContact OD1-OG 3.4Å
77R56.8Low57Low221 Ų221127.9 Ų127.983%0.83467%0.666SS**SBendtrans-97.3-10.4-175.6-137176.6-176155.61.5115.1D74D74-R77 PolarHBondContact O-N 2.9Å
78N53.6Low57.7Low100 Ų100123.7 Ų123.754%0.53565%0.652SS.*  trans-113.211-169.545.4-9.2000114.4D74 V75 R80D74-N78 PolarHBondContact O-OD1 3.43Å; V75-N78 VanDerWaalsContact C-OD1 3.26Å; V75-N78 WeakPolarHBondContact CA-OD1 3.47Å; V75-N78 PolarHBondContact O-OD1 3.05Å; V75-N78 VanDerWaalsContact O-OD1 3.06Å; N78-R80 PolarHBondContact O-N 2.68Å
79A54.7Low58.7Low91 Ų91121.8 Ų121.875%0.75264%0.642SS**THydrogen-bonded Turntrans-63.1-5.7177.700000115
80R57Low59.9Low223 Ų223122.8 Ų122.884%0.84264%0.638SS**THydrogen-bonded Turntrans-137.97.4178.4-66.5-172.7179.3-107.9-1.2117.1N78N78-R80 PolarHBondContact O-N 2.68Å
81H57.6Low61.3Low121 Ų121121.1 Ų121.156%0.5663%0.63SS**  trans-134.569.8-176.5-58.2-59.4000111.9
82A56.2Low62.8Low103 Ų103122.9 Ų122.985%0.85162%0.62SS**SBendtrans-75.7-12.2174.700000113.1
83D59.7Low64.7Low138 Ų138115.6 Ų115.674%0.73859%0.593SS**SBendtrans-90.4-13177.259.6-20.8000113.4
84G59.6Low66.5Low16 Ų16109.1 Ų109.117%0.16557%0.573CS.*  trans-98.5-1.8-167.600000116.6T87 S88G84-T87 WeakPolarHBondContact O-CG2 3.48Å; G84-T87 PolarHBondContact O-N 3.49Å; G84-S88 VanDerWaalsContact O-CB 3.31Å; G84-S88 WeakPolarHBondContact O-CB 3.41Å; G84-S88 PolarHBondContact O-N 3.3Å; G84-S88 PolarHBondContact O-OG 2.9Å
85V63.1Low68.3Low82 Ų82106.6 Ų106.650%0.49757%0.568SS.*Hα-helixtrans-64.4-52.1-171.7-169.20000110.5T87 S88 D89V85-T87 PolarHBondContact O-N 3.31Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 3.41Å; V85-D89 PolarHBondContact O-N 3.35Å
86F60.1Low70Confident186 Ų186104.7 Ų104.782%0.81655%0.55SS**Hα-helixtrans-65.2-35.6176.8-60.6-68.5000113.3S88 Y90F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; F86-Y90 WeakPolarHBondContact O-CB 3.37Å; F86-Y90 PolarHBondContact O-N 2.94Å
87T70Confident71.8Confident87 Ų87101.3 Ų101.353%0.53452%0.524SS..Hα-helixtrans-68.7-35.1179.4-156.30000111.2G84 V85 S91G84-T87 WeakPolarHBondContact O-CG2 3.48Å; G84-T87 PolarHBondContact O-N 3.49Å; V85-T87 PolarHBondContact O-N 3.31Å; T87-S91 WeakPolarHBondContact O-CB 3.49Å; T87-S91 PolarHBondContact O-N 3.17Å; T87-S91 PolarHBondContact O-OG 3.49Å
88S74.1Confident73.4Confident48 Ų4894.5 Ų94.534%0.33651%0.51SS..Hα-helixtrans-70.6-47.1-177.372.70000112.4G84 V85 F86 S91 R92G84-S88 VanDerWaalsContact O-CB 3.31Å; G84-S88 WeakPolarHBondContact O-CB 3.41Å; G84-S88 PolarHBondContact O-N 3.3Å; G84-S88 PolarHBondContact O-OG 2.9Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 3.41Å; F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; S88-S91 PolarHBondContact O-N 3.09Å; S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 VanDerWaalsContact O-CG 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.41Å; S88-R92 PolarHBondContact O-N 3.43Å
89D79.9Confident75.3Confident57 Ų5792.6 Ų92.631%0.30551%0.509SS..Hα-helixtrans-73.1-40.9-177.6-69.1-23.8000111.6N68 V85 S91 R92 L93N68-D89 PolarHBondContact ND2-OD2 3.45Å; V85-D89 PolarHBondContact O-N 3.35Å; D89-S91 PolarHBondContact O-N 3.01Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.31Å; D89-R92 IonicContact OD1-NH1 3.78Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 3.33Å
90Y83.2Confident76.9Confident143 Ų14390.6 Ų90.656%0.56148%0.483SS*.Hα-helixtrans-62.3-43.4174.7-178.9-109.5000111.9F86 R92 L93 L94F86-Y90 WeakPolarHBondContact O-CB 3.37Å; F86-Y90 PolarHBondContact O-N 2.94Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.02Å; Y90-L93 PolarHBondContact O-N 3.41Å; Y90-L94 HydrophobicContact CD1-CD1 3.92Å; Y90-L94 HydrophobicContact CD1-CG 4.44Å; Y90-L94 HydrophobicContact CE1-CD1 3.33Å; Y90-L94 HydrophobicContact CE1-CG 4.04Å; Y90-L94 HydrophobicContact CE2-CD1 4.37Å; Y90-L94 HydrophobicContact CE2-CD2 4.41Å; Y90-L94 HydrophobicContact CE2-CG 4.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.43Å
91S84.2Confident78.5Confident66 Ų6685.1 Ų85.146%0.46247%0.465SS..Hα-helixtrans-64.7-36.8176.1-61.30000112.1T87 S88 D89 G95T87-S91 WeakPolarHBondContact O-CB 3.49Å; T87-S91 PolarHBondContact O-N 3.17Å; T87-S91 PolarHBondContact O-OG 3.49Å; S88-S91 PolarHBondContact O-N 3.09Å; D89-S91 PolarHBondContact O-N 3.01Å; S91-G95 PolarHBondContact O-N 3.34Å
92R86.1Confident80Confident172 Ų17287.1 Ų87.165%0.64947%0.469SS*.Hα-helixtrans-63.5-46.1173.9-78.1170176.3-173.3-2.2111.6S88 D89 Y90 G95 Q96S88-R92 WeakPolarHBondContact O-CB 3.35Å; S88-R92 VanDerWaalsContact O-CG 3.24Å; S88-R92 WeakPolarHBondContact O-CG 3.41Å; S88-R92 PolarHBondContact O-N 3.43Å; D89-R92 WeakPolarHBondContact O-CB 3.47Å; D89-R92 PolarHBondContact O-N 3.31Å; D89-R92 IonicContact OD1-NH1 3.78Å; Y90-R92 VanDerWaalsContact C-N 3.32Å; Y90-R92 PolarHBondContact O-N 3.02Å; R92-G95 CarbonylContact O-C 3.58Å; R92-G95 WeakPolarHBondContact O-CA 3.46Å; R92-G95 PolarHBondContact O-N 3.18Å; R92-G95 VanDerWaalsContact O-N 3.15Å; R92-Q96 WeakPolarHBondContact O-CG 3.49Å; R92-Q96 PolarHBondContact O-N 3.04Å
93L88.5Confident81.6Confident33 Ų3386.4 Ų86.417%0.17345%0.451CS..Hα-helixtrans-59.8-47.8176.9174.465.7000111.4I60 L61 A64 D89 Y90 G95 Q96 I97I60-L93 HydrophobicContact CG2-CD1 3.99Å; L61-L93 HydrophobicContact CD2-CD1 3.83Å; L61-L93 HydrophobicContact CD2-CD2 3.59Å; L61-L93 HydrophobicContact CD2-CG 4.2Å; A64-L93 HydrophobicContact CB-CD1 4.02Å; D89-L93 WeakPolarHBondContact O-CB 3.49Å; D89-L93 PolarHBondContact O-N 3.33Å; Y90-L93 PolarHBondContact O-N 3.41Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.03Å; L93-Q96 WeakPolarHBondContact O-CB 3.49Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; L93-I97 HydrophobicContact CD1-CD1 4.06Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.97Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.86Å
94L89.5Confident82.8Confident79 Ų7983.8 Ų83.841%0.41443%0.434SS..Hα-helixtrans-60.6-38.1175.6-72.1-177.8000111.9Y90 S98Y90-L94 HydrophobicContact CD1-CD1 3.92Å; Y90-L94 HydrophobicContact CD1-CG 4.44Å; Y90-L94 HydrophobicContact CE1-CD1 3.33Å; Y90-L94 HydrophobicContact CE1-CG 4.04Å; Y90-L94 HydrophobicContact CE2-CD1 4.37Å; Y90-L94 HydrophobicContact CE2-CD2 4.41Å; Y90-L94 HydrophobicContact CE2-CG 4.25Å; Y90-L94 WeakPolarHBondContact O-CG 3.23Å; Y90-L94 PolarHBondContact O-N 3.43Å; L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.48Å; L94-S98 PolarHBondContact O-N 3.13Å
95G90.7Very high84Confident39 Ų3987 Ų8740%0.40245%0.454SS..Hα-helixtrans-60.3-45.4172.300000112.7S91 R92 L93 S98 A99S91-G95 PolarHBondContact O-N 3.34Å; R92-G95 CarbonylContact O-C 3.58Å; R92-G95 WeakPolarHBondContact O-CA 3.46Å; R92-G95 PolarHBondContact O-N 3.18Å; R92-G95 VanDerWaalsContact O-N 3.15Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.03Å; G95-S98 PolarHBondContact O-N 3.1Å; G95-A99 WeakPolarHBondContact O-CB 3.03Å; G95-A99 PolarHBondContact O-N 3.26Å
96Q91.3Very high84.9Confident93 Ų9385.9 Ų85.944%0.43545%0.445SS..Hα-helixtrans-63.3-46.6176.9-72.5175.8-22.800112R92 L93 S98 A99 K100R92-Q96 WeakPolarHBondContact O-CG 3.49Å; R92-Q96 PolarHBondContact O-N 3.04Å; L93-Q96 WeakPolarHBondContact O-CB 3.49Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.15Å; Q96-A99 PolarHBondContact O-N 2.9Å; Q96-K100 WeakPolarHBondContact O-CB 3.35Å; Q96-K100 PolarHBondContact O-N 2.94Å
97I92.3Very high85.9Confident29 Ų2980.5 Ų80.515%0.14942%0.424CS..Hα-helixtrans-60.9-44.3177.3-66.9168.9000110.3I60 L93 K100 K101I60-I97 HydrophobicContact CD1-CG1 4.49Å; I60-I97 HydrophobicContact CG2-CG1 4.43Å; L93-I97 HydrophobicContact CD1-CD1 4.06Å; L93-I97 HydrophobicContact CD1-CG1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.97Å; L93-I97 WeakPolarHBondContact O-CG1 3.49Å; L93-I97 PolarHBondContact O-N 2.86Å; I97-K100 PolarHBondContact O-N 2.95Å; I97-K101 HydrophobicContact CG2-CD 4.26Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.92Å
98S90.2Very high85.8Confident78 Ų7878.5 Ų78.555%0.54542%0.421SS..Hα-helixtrans-61.7-46.5177.1-176.30000111.9L94 G95 Q96 K100 K101 Y102L94-S98 VanDerWaalsContact O-CB 3.27Å; L94-S98 WeakPolarHBondContact O-CB 3.48Å; L94-S98 PolarHBondContact O-N 3.13Å; G95-S98 PolarHBondContact O-N 3.1Å; Q96-S98 VanDerWaalsContact C-N 3.33Å; Q96-S98 PolarHBondContact O-N 3.15Å; S98-K100 PolarHBondContact O-N 3.45Å; S98-K101 PolarHBondContact O-N 3.23Å; S98-Y102 WeakPolarHBondContact O-CB 3.27Å; S98-Y102 PolarHBondContact O-N 3.47Å
99A93Very high85.3Confident60 Ų6083.6 Ų83.650%0.49644%0.436SS..Hα-helixtrans-62.4-40.917800000112.1G95 Q96 Y102 L103G95-A99 WeakPolarHBondContact O-CB 3.03Å; G95-A99 PolarHBondContact O-N 3.26Å; Q96-A99 PolarHBondContact O-N 2.9Å; A99-Y102 PolarHBondContact O-N 3.36Å; A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 3.21Å
100K89.2Confident84.3Confident49 Ų4988.4 Ų88.421%0.21345%0.45CS..Hα-helixtrans-61.8-50.6174.8176.8-177.7174.3-89.20111.7D57 I60 Q96 I97 S98 Y102 L103 E104D57-K100 IonicContact OD1-NZ 2.78Å; I60-K100 HydrophobicContact CD1-CD 3.19Å; I60-K100 HydrophobicContact CG1-CD 4.16Å; Q96-K100 WeakPolarHBondContact O-CB 3.35Å; Q96-K100 PolarHBondContact O-N 2.94Å; I97-K100 PolarHBondContact O-N 2.95Å; S98-K100 PolarHBondContact O-N 3.45Å; K100-Y102 PolarHBondContact O-N 2.96Å; K100-L103 CarbonylContact O-C 3.57Å; K100-L103 WeakPolarHBondContact O-CA 3.33Å; K100-L103 WeakPolarHBondContact O-CB 3.46Å; K100-L103 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.24Å; K100-E104 IonicContact NZ-OE1 3.88Å; K100-E104 PolarHBondContact NZ-OE1 2.82Å; K100-E104 IonicContact NZ-OE2 3.51Å; K100-E104 WeakPolarHBondContact O-CG 3.42Å; K100-E104 PolarHBondContact O-N 3.37Å
101K89.7Confident83Confident109 Ų10986.8 Ų86.847%0.47445%0.45SS..Hα-helixtrans-57.7-40178.7-74.1179.8178-177.40111.8I97 S98 S105I97-K101 HydrophobicContact CG2-CD 4.26Å; I97-K101 WeakPolarHBondContact O-CG 3.44Å; I97-K101 PolarHBondContact O-N 2.92Å; S98-K101 PolarHBondContact O-N 3.23Å; K101-S105 WeakPolarHBondContact O-CB 3.45Å; K101-S105 PolarHBondContact O-N 3.4Å
102Y89Confident81.7Confident163 Ų16387.8 Ų87.864%0.63946%0.458SS*.Hα-helixtrans-62.5-45.5174.1179.3-109000112S98 A99 K100 S105 L106S98-Y102 WeakPolarHBondContact O-CB 3.27Å; S98-Y102 PolarHBondContact O-N 3.47Å; A99-Y102 PolarHBondContact O-N 3.36Å; K100-Y102 PolarHBondContact O-N 2.96Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 3.47Å; Y102-L106 HydrophobicContact CD1-CD1 3.57Å; Y102-L106 HydrophobicContact CD2-CD1 4.48Å; Y102-L106 HydrophobicContact CE1-CD1 3.19Å; Y102-L106 HydrophobicContact CE1-CG 4.41Å; Y102-L106 HydrophobicContact CE2-CD1 4.17Å; Y102-L106 HydrophobicContact CG-CD1 4.2Å; Y102-L106 WeakPolarHBondContact O-CD1 3.44Å; Y102-L106 PolarHBondContact O-N 2.99Å
103L90.1Very high80.2Confident88 Ų8883.8 Ų83.846%0.46146%0.456SS..Hα-helixtrans-65.7-42.3177.5-16979.9000112.5A99 K100 S105 L106 I107A99-L103 WeakPolarHBondContact O-CB 3.45Å; A99-L103 PolarHBondContact O-N 3.21Å; K100-L103 CarbonylContact O-C 3.57Å; K100-L103 WeakPolarHBondContact O-CA 3.33Å; K100-L103 WeakPolarHBondContact O-CB 3.46Å; K100-L103 PolarHBondContact O-N 2.91Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.24Å; L103-L106 CarbonylContact O-C 3.55Å; L103-L106 WeakPolarHBondContact O-CA 3.38Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L106 VanDerWaalsContact O-N 3.07Å; L103-I107 HydrophobicContact CD2-CD1 3.93Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3.3Å
104E85.9Confident78.7Confident82 Ų8286.5 Ų86.538%0.38348%0.477SS..Hα-helixtrans-58.5-42.8175.3-75.4174.2166.800110.8K100 L106 I107 G108K100-E104 WeakPolarHBondContact CE-OE1 3.48Å; K100-E104 HydrophobicContact CG-CG 4.24Å; K100-E104 IonicContact NZ-OE1 3.88Å; K100-E104 PolarHBondContact NZ-OE1 2.82Å; K100-E104 IonicContact NZ-OE2 3.51Å; K100-E104 WeakPolarHBondContact O-CG 3.42Å; K100-E104 PolarHBondContact O-N 3.37Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.12Å; E104-I107 PolarHBondContact O-N 3.48Å; E104-G108 PolarHBondContact O-N 3.16Å
105S84.7Confident77Confident85 Ų8588.7 Ų88.759%0.59449%0.488SS*.Hα-helixtrans-59.8-42.3173-173.90000112.1K101 Y102 L103 K109K101-S105 WeakPolarHBondContact O-CB 3.45Å; K101-S105 PolarHBondContact O-N 3.4Å; Y102-S105 WeakPolarHBondContact O-CB 3.44Å; Y102-S105 PolarHBondContact O-N 3.47Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 3.24Å; S105-K109 VanDerWaalsContact O-CB 3.27Å; S105-K109 WeakPolarHBondContact O-CB 3.4Å; S105-K109 PolarHBondContact O-N 2.89Å
106L82.2Confident74.9Confident57 Ų5790.9 Ų90.930%0.29850%0.497SS..Hα-helixtrans-67.4-41177-82.9153.7000113.2Y102 L103 E104 K109 R110Y102-L106 HydrophobicContact CD1-CD1 3.57Å; Y102-L106 HydrophobicContact CD2-CD1 4.48Å; Y102-L106 HydrophobicContact CE1-CD1 3.19Å; Y102-L106 HydrophobicContact CE1-CG 4.41Å; Y102-L106 HydrophobicContact CE2-CD1 4.17Å; Y102-L106 HydrophobicContact CG-CD1 4.2Å; Y102-L106 WeakPolarHBondContact O-CD1 3.44Å; Y102-L106 PolarHBondContact O-N 2.99Å; L103-L106 CarbonylContact O-C 3.55Å; L103-L106 WeakPolarHBondContact O-CA 3.38Å; L103-L106 WeakPolarHBondContact O-CB 3.13Å; L103-L106 PolarHBondContact O-N 3.25Å; L103-L106 VanDerWaalsContact O-N 3.07Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 3.12Å; L106-K109 PolarHBondContact O-N 3.46Å; L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.47Å
107I79.4Confident72.8Confident74 Ų7495.3 Ų95.338%0.37952%0.518SS..Hα-helixtrans-70.5-45.8179.2-68.4169.4000109.8L103 E104 K109 R110 I111L103-I107 HydrophobicContact CD2-CD1 3.93Å; L103-I107 HydrophobicContact CG-CD1 3.82Å; L103-I107 HydrophobicContact CG-CG1 4.3Å; L103-I107 WeakPolarHBondContact O-CG1 3.3Å; L103-I107 PolarHBondContact O-N 3.3Å; E104-I107 PolarHBondContact O-N 3.48Å; I107-K109 PolarHBondContact O-N 2.98Å; I107-R110 PolarHBondContact O-N 3.23Å; I107-I111 HydrophobicContact CG2-CD1 3.52Å; I107-I111 HydrophobicContact CG2-CG1 4.19Å; I107-I111 WeakPolarHBondContact O-CG1 3.45Å; I107-I111 PolarHBondContact O-N 3.14Å
108G69.1Low70.8Confident45 Ų4599.7 Ų99.746%0.46454%0.542SS..Hα-helixtrans-57.5-35.9173.900000112.2E104 S112E104-G108 PolarHBondContact O-N 3.16Å; G108-S112 PolarHBondContact O-N 3.32Å; G108-S112 PolarHBondContact O-OG 2.87Å
109K62.4Low69.1Low154 Ų154101.4 Ų101.467%0.6755%0.551SS**Hα-helixtrans-71.9-34.1173.8-172.1172.9-179.7-170.80113.8S105 L106 I107 S112 S113S105-K109 VanDerWaalsContact O-CB 3.27Å; S105-K109 WeakPolarHBondContact O-CB 3.4Å; S105-K109 PolarHBondContact O-N 2.89Å; L106-K109 PolarHBondContact O-N 3.46Å; I107-K109 PolarHBondContact O-N 2.98Å; K109-S112 PolarHBondContact O-OG 3.31Å; K109-S113 PolarHBondContact O-N 3.3Å; K109-S113 PolarHBondContact O-OG 3.28Å
110R59.6Low67.5Low158 Ų158104.2 Ų104.260%0.59656%0.562SS**Hα-helixtrans-76.8-40.2179-78.9-166.1-83.6-164.8-2.2112.4L106 I107 S112 S113 S114L106-R110 WeakPolarHBondContact O-CG 3.32Å; L106-R110 PolarHBondContact O-N 3.47Å; I107-R110 PolarHBondContact O-N 3.23Å; R110-S112 VanDerWaalsContact C-N 3.33Å; R110-S112 PolarHBondContact O-N 3.05Å; R110-S113 WeakPolarHBondContact CA-OG 3.33Å; R110-S113 PolarHBondContact O-N 3.5Å; R110-S113 VanDerWaalsContact O-N 3.07Å; R110-S113 PolarHBondContact O-OG 2.93Å; R110-S114 PolarHBondContact O-N 3.49Å
111I56.5Low66Low109 Ų109107.3 Ų107.356%0.55959%0.587SS**Hα-helixtrans-67.6-35.8179.4-62.3167.3000110.9I107 S113 S114I107-I111 HydrophobicContact CG2-CD1 3.52Å; I107-I111 HydrophobicContact CG2-CG1 4.19Å; I107-I111 WeakPolarHBondContact O-CG1 3.45Å; I107-I111 PolarHBondContact O-N 3.14Å; I111-S113 PolarHBondContact O-N 2.83Å; I111-S114 PolarHBondContact O-OG 2.68Å
112S55.8Low64.4Low88 Ų88109 Ų10962%0.61561%0.606SS**THydrogen-bonded Turntrans-71.2-14.8173.365.40000114G108 K109 R110G108-S112 PolarHBondContact O-N 3.32Å; G108-S112 PolarHBondContact O-OG 2.87Å; K109-S112 PolarHBondContact O-OG 3.31Å; R110-S112 VanDerWaalsContact C-N 3.33Å; R110-S112 PolarHBondContact O-N 3.05Å
113S55.9Low63Low87 Ų87107.2 Ų107.261%0.60860%0.602SS**THydrogen-bonded Turntrans-94.4-13.9179.469.90000114.7K109 R110 I111K109-S113 PolarHBondContact O-N 3.3Å; K109-S113 PolarHBondContact O-OG 3.28Å; R110-S113 WeakPolarHBondContact CA-OG 3.33Å; R110-S113 PolarHBondContact O-N 3.5Å; R110-S113 VanDerWaalsContact O-N 3.07Å; R110-S113 PolarHBondContact O-OG 2.93Å; I111-S113 PolarHBondContact O-N 2.83Å
114S55.3Low61.8Low90 Ų90112.6 Ų112.663%0.62962%0.616SS**SBendtrans-97.8-8.5-174.561.60000115.1R110 I111R110-S114 PolarHBondContact O-N 3.49Å; I111-S114 PolarHBondContact O-OG 2.68Å
115I54.7Low60.3Low126 Ų126117.3 Ų117.365%0.64664%0.637SS**SBendtrans-130.4120.5175.4-67171000106
116S47.5Very low59.2Low84 Ų84118.1 Ų118.159%0.58764%0.643SS**  trans91.582.6-176.1-29.50000112.7D118S116-D118 PolarHBondContact O-N 3.04Å
117E46.8Very low58.4Low186 Ų186120.1 Ų120.187%0.86965%0.654SS**  trans-4280.8144.733.5-83.711400112.2
118D50.6Low57.5Low121 Ų121118 Ų11865%0.64765%0.648SS**  trans-146114.5152.1-166.714.7000105.7S116 V120S116-D118 PolarHBondContact O-N 3.04Å; D118-V120 PolarHBondContact O-N 3.18Å
119P53.2Low57.4Low114 Ų114118.8 Ų118.874%0.7464%0.643SS**  trans-65.886.3-175.827.3-35.2000109.7P121P119-P121 WeakPolarHBondContact O-CD 3.24Å
120V59.2Low57.4Low120 Ų120119.4 Ų119.473%0.72765%0.646SS**  trans-54.1111.8176.1177.70000107.4D118 V122D118-V120 PolarHBondContact O-N 3.18Å; V120-V122 PolarHBondContact O-N 2.97Å
121P58.1Low58.1Low113 Ų113116.5 Ų116.573%0.73465%0.646SS**  trans-56.8127.8-174.7-24.432.7000109.3P119 K123P119-P121 WeakPolarHBondContact O-CD 3.24Å; P121-K123 PolarHBondContact O-N 3.13Å
122V56.8Low59.2Low146 Ų146115.6 Ų115.689%0.88564%0.643SS**  trans-52.298-176.5179.10000109.3V120 R124V120-V122 PolarHBondContact O-N 2.97Å; V122-R124 PolarHBondContact O-N 2.93Å; V122-R124 VanDerWaalsContact O-N 3.13Å
123K59.1Low60.4Low125 Ų125115 Ų11554%0.54363%0.632SS.*  trans-70.8107.4-170.4-167.6159.259.7177.30109.3P121 H125 A128P121-K123 PolarHBondContact O-N 3.13Å; K123-H125 PolarHBondContact O-N 3.33Å; K123-A128 HydrophobicContact CD-CB 4.04Å; K123-A128 HydrophobicContact CG-CB 3.64Å
124R64.3Low61.8Low201 Ų201117.4 Ų117.476%0.75863%0.629SS**  trans-57.5124.2166.9-65.6-179.2175.5-165.7-1.9106.9V122 S126 D127V122-R124 PolarHBondContact O-N 2.93Å; V122-R124 VanDerWaalsContact O-N 3.13Å; R124-S126 PolarHBondContact O-N 2.85Å; R124-D127 VanDerWaalsContact O-OD1 3.08Å
125H56Low63.3Low180 Ų180115.8 Ų115.883%0.83362%0.616SS**THydrogen-bonded Turntrans-66.2132.2-168.6-62.9-82.7000109.4K123K123-H125 PolarHBondContact O-N 3.33Å
126S60.3Low65Low103 Ų103115 Ų11572%0.7260%0.604SS**THydrogen-bonded Turntrans91-44.3178.176.60000119.3R124R124-S126 PolarHBondContact O-N 2.85Å
127D65.4Low67.1Low99 Ų99114.9 Ų114.953%0.52960%0.597SS.*THydrogen-bonded Turntrans-83.7-34.5-170.561.9-13.2000114.1R124 V129R124-D127 VanDerWaalsContact O-OD1 3.08Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.05Å
128A62.2Low69.3Low29 Ų29113.9 Ų113.924%0.2459%0.585CS.*Hα-helixtrans-78-6.1-171.700000115.4K123 D132K123-A128 HydrophobicContact CD-CB 4.04Å; K123-A128 HydrophobicContact CG-CB 3.64Å; A128-D132 PolarHBondContact O-N 2.98Å
129V66Low71.3Confident61 Ų61113.9 Ų113.937%0.3758%0.579SS.*Hα-helixtrans-69.7-37.4-176-179.90000111.5D127 N133D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.05Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 WeakPolarHBondContact O-CB 3.31Å; V129-N133 VanDerWaalsContact O-CG 3.27Å; V129-N133 PolarHBondContact O-ND2 3.47Å
130F62.5Low73.3Confident167 Ų167114.1 Ų114.173%0.73257%0.571SS**Hα-helixtrans-78.3-40.4-178.9-64.6-73.5000112.2Y134F130-Y134 WeakPolarHBondContact O-CB 3.46Å; F130-Y134 PolarHBondContact O-N 3.16Å
131T74.4Confident75Confident98 Ų98113 Ų11360%0.60156%0.559SS**Hα-helixtrans-64-48.7-176.8-49.90000112T135T131-T135 WeakPolarHBondContact O-CB 3.22Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 3.3Å
132D78.7Confident76.7Confident90 Ų90109.4 Ų109.448%0.48154%0.538SS..Hα-helixtrans-68.8-48.7-178.3176.555.5000112.1A128 Y134 T135 R136A128-D132 PolarHBondContact O-N 2.98Å; D132-Y134 PolarHBondContact O-N 3.15Å; D132-T135 PolarHBondContact O-N 3.42Å; D132-R136 WeakPolarHBondContact O-CB 3.5Å; D132-R136 PolarHBondContact O-N 3.24Å; D132-R136 IonicContact OD1-NH1 2.68Å; D132-R136 IonicContact OD2-CZ 3.71Å; D132-R136 IonicContact OD2-NH1 3.97Å; D132-R136 PolarHBondContact OD2-NH1 3.39Å
133N82.2Confident78.5Confident74 Ų74107 Ų10740%0.39652%0.524SS..Hα-helixtrans-62.1-46-177.6-71.8-37000112.1V129 R136 L137V129-N133 WeakPolarHBondContact CG1-ND2 3.45Å; V129-N133 WeakPolarHBondContact O-CB 3.31Å; V129-N133 VanDerWaalsContact O-CG 3.27Å; V129-N133 PolarHBondContact O-ND2 3.47Å; N133-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact OD1-NH2 2.96Å; N133-L137 PolarHBondContact O-N 3.05Å
134Y85.3Confident80.3Confident139 Ų139107.2 Ų107.255%0.54553%0.525SS..Hα-helixtrans-67.8-41.1178.4-179-103.5000111.8F130 D132 R136 L137 R138F130-Y134 WeakPolarHBondContact O-CB 3.46Å; F130-Y134 PolarHBondContact O-N 3.16Å; D132-Y134 PolarHBondContact O-N 3.15Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.39Å; Y134-L137 WeakPolarHBondContact O-CB 3.08Å; Y134-L137 PolarHBondContact O-N 3.28Å; Y134-R138 PolarHBondContact O-N 3.45Å
135T87.2Confident81.6Confident56 Ų56105.3 Ų105.334%0.34452%0.522SS..Hα-helixtrans-60.3-43.6176.7-62.20000110.8T131 D132 R138 K139T131-T135 WeakPolarHBondContact O-CB 3.22Å; T131-T135 PolarHBondContact O-N 3.12Å; T131-T135 PolarHBondContact O-OG1 3.3Å; D132-T135 PolarHBondContact O-N 3.42Å; T135-R138 PolarHBondContact O-N 3.25Å; T135-K139 HydrophobicContact CG2-CD 4.31Å; T135-K139 WeakPolarHBondContact O-CG 3.45Å; T135-K139 PolarHBondContact O-N 2.9Å
136R89.6Confident83.4Confident108 Ų108104.2 Ų104.241%0.40851%0.512SS..Hα-helixtrans-61.6-44.9175.5-176167.361.2-103.61.7112.2D132 N133 Y134 R138 K139 Q140D132-R136 WeakPolarHBondContact O-CB 3.5Å; D132-R136 PolarHBondContact O-N 3.24Å; D132-R136 IonicContact OD1-NH1 2.68Å; D132-R136 IonicContact OD2-CZ 3.71Å; D132-R136 IonicContact OD2-NH1 3.97Å; D132-R136 PolarHBondContact OD2-NH1 3.39Å; N133-R136 PolarHBondContact O-N 3.42Å; N133-R136 PolarHBondContact OD1-NH2 2.96Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.39Å; R136-R138 VanDerWaalsContact C-N 3.29Å; R136-R138 PolarHBondContact O-N 3.19Å; R136-K139 PolarHBondContact O-N 3.44Å; R136-Q140 WeakPolarHBondContact O-CG 3.46Å; R136-Q140 PolarHBondContact O-N 3.46Å
137L91.8Very high85.1Confident82 Ų82104 Ų10443%0.42950%0.502SS..Hα-helixtrans-58.3-43175.2177.664.8000111.4N133 Y134 Q140 M141N133-L137 PolarHBondContact O-N 3.05Å; Y134-L137 WeakPolarHBondContact O-CB 3.08Å; Y134-L137 PolarHBondContact O-N 3.28Å; L137-Q140 PolarHBondContact O-N 2.97Å; L137-M141 HydrophobicContact CD1-CE 4.07Å; L137-M141 HydrophobicContact CD1-CG 4.46Å; L137-M141 WeakPolarHBondContact O-CG 3.48Å; L137-M141 PolarHBondContact O-N 3.48Å
138R92.3Very high86.4Confident166 Ų166102.6 Ų102.663%0.62649%0.494SS*.Hα-helixtrans-64.3-43.7177.8-163.9-179.5-156.8153.44.6111.8Y134 T135 R136 M141 A142Y134-R138 PolarHBondContact O-N 3.45Å; T135-R138 PolarHBondContact O-N 3.25Å; R136-R138 VanDerWaalsContact C-N 3.29Å; R136-R138 PolarHBondContact O-N 3.19Å; R138-M141 PolarHBondContact O-N 3.35Å; R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.27Å
139K93.9Very high87.8Confident121 Ų121103.5 Ų103.553%0.52650%0.499SS..Hα-helixtrans-60.1-44.3174.7-72.7-177.8176.6-1730111.1T135 R136 M141 A142 V143T135-K139 HydrophobicContact CG2-CD 4.31Å; T135-K139 WeakPolarHBondContact O-CG 3.45Å; T135-K139 PolarHBondContact O-N 2.9Å; R136-K139 PolarHBondContact O-N 3.44Å; K139-M141 PolarHBondContact O-N 2.94Å; K139-A142 PolarHBondContact O-N 3.35Å; K139-V143 WeakPolarHBondContact O-CG2 3.16Å; K139-V143 PolarHBondContact O-N 3.1Å
140Q95.1Very high89Confident119 Ų119105.4 Ų105.456%0.55651%0.506SS*.Hα-helixtrans-62.4-42.8175.6-73.6179.1-21.300112.5R136 L137 A142 V143 K144R136-Q140 WeakPolarHBondContact O-CG 3.46Å; R136-Q140 PolarHBondContact O-N 3.46Å; L137-Q140 PolarHBondContact O-N 2.97Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-V143 PolarHBondContact O-N 3.45Å; Q140-K144 WeakPolarHBondContact O-CB 3.41Å; Q140-K144 PolarHBondContact O-N 3.46Å
141M94.2Very high90.2Very high97 Ų97103.7 Ų103.748%0.47850%0.504SS..Hα-helixtrans-65.5-36.7175.8-72.2-66.2173.800112.1L137 R138 K139 K144 K145L137-M141 HydrophobicContact CD1-CE 4.07Å; L137-M141 HydrophobicContact CD1-CG 4.46Å; L137-M141 WeakPolarHBondContact O-CG 3.48Å; L137-M141 PolarHBondContact O-N 3.48Å; R138-M141 PolarHBondContact O-N 3.35Å; K139-M141 PolarHBondContact O-N 2.94Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 4.43Å; M141-K145 WeakPolarHBondContact O-CB 3.44Å; M141-K145 WeakPolarHBondContact O-CG 3.45Å; M141-K145 PolarHBondContact O-N 3.47Å
142A93.9Very high90.8Very high37 Ų37103.9 Ų103.931%0.30650%0.501SS..Hα-helixtrans-65-47.6175.100000111.7R138 K139 Q140 K144 K145 Y146R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.27Å; K139-A142 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 3.35Å; A142-K145 VanDerWaalsContact O-N 3.15Å; A142-Y146 WeakPolarHBondContact O-CB 3.36Å; A142-Y146 PolarHBondContact O-N 3.46Å
143V95Very high90.4Very high96 Ų96102.9 Ų102.958%0.58251%0.512SS*.Hα-helixtrans-58-44.1174.3172.80000110.7K139 Q140 Y146 L147K139-V143 WeakPolarHBondContact O-CG2 3.16Å; K139-V143 PolarHBondContact O-N 3.1Å; Q140-V143 PolarHBondContact O-N 3.45Å; V143-Y146 PolarHBondContact O-N 3.05Å; V143-L147 WeakPolarHBondContact O-CB 3.35Å; V143-L147 PolarHBondContact O-N 3.36Å
144K95.2Very high89.3Confident128 Ų128107.4 Ų107.456%0.55753%0.528SS*.Hα-helixtrans-61.1-45.3175.5-176.8178.6178.6-178.20111.8Q140 M141 A142 L147 N148Q140-K144 WeakPolarHBondContact O-CB 3.41Å; Q140-K144 PolarHBondContact O-N 3.46Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 4.43Å; A142-K144 VanDerWaalsContact C-N 3.29Å; A142-K144 PolarHBondContact O-N 3.43Å; K144-L147 PolarHBondContact O-N 3.06Å; K144-N148 PolarHBondContact O-N 3.13Å; K144-N148 PolarHBondContact O-ND2 2.88Å
145K93.6Very high87.8Confident161 Ų161112.2 Ų112.270%0.755%0.545SS*.Hα-helixtrans-61-45.3176.8-79.5-175.3177.2-169.60111.4M141 A142 N148 S149M141-K145 WeakPolarHBondContact O-CB 3.44Å; M141-K145 WeakPolarHBondContact O-CG 3.45Å; M141-K145 PolarHBondContact O-N 3.47Å; A142-K145 PolarHBondContact O-N 3.35Å; A142-K145 VanDerWaalsContact O-N 3.15Å; K145-N148 PolarHBondContact O-N 3.11Å; K145-S149 PolarHBondContact O-N 2.94Å
146Y93.7Very high86.3Confident158 Ų158113.4 Ų113.462%0.6256%0.556SS**Hα-helixtrans-60.1-48177.5176.2-110.6000112A142 V143 N148 S149 I150A142-Y146 WeakPolarHBondContact O-CB 3.36Å; A142-Y146 PolarHBondContact O-N 3.46Å; V143-Y146 PolarHBondContact O-N 3.05Å; Y146-N148 PolarHBondContact O-N 2.84Å; Y146-S149 WeakPolarHBondContact O-CB 3.19Å; Y146-S149 PolarHBondContact O-N 3.31Å; Y146-S149 VanDerWaalsContact O-N 3.1Å; Y146-I150 HydrophobicContact CD1-CD1 3.72Å; Y146-I150 HydrophobicContact CD2-CD1 4.26Å; Y146-I150 HydrophobicContact CE1-CD1 3.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.38Å; Y146-I150 HydrophobicContact CE2-CD1 3.8Å; Y146-I150 HydrophobicContact CE2-CG1 4.21Å; Y146-I150 HydrophobicContact CG-CD1 4.23Å; Y146-I150 PolarHBondContact O-N 3.48Å
147L94.9Very high84.4Confident99 Ų99113.2 Ų113.252%0.51857%0.571SS.*Hα-helixtrans-60.7-44.4178.4-170.8158.3000111.8V143 K144 S149 I150 L151V143-L147 WeakPolarHBondContact O-CB 3.35Å; V143-L147 PolarHBondContact O-N 3.36Å; K144-L147 PolarHBondContact O-N 3.06Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.29Å; L147-I150 PolarHBondContact O-N 3.33Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.79Å
148N92.6Very high82.5Confident69 Ų69117.5 Ų117.537%0.36959%0.589SS.*Hα-helixtrans-62.8-36.4175.4-75.9-66.9000112.2K144 K145 Y146 N152K144-N148 PolarHBondContact O-N 3.13Å; K144-N148 PolarHBondContact O-ND2 2.88Å; K145-N148 PolarHBondContact O-N 3.11Å; Y146-N148 PolarHBondContact O-N 2.84Å; N148-N152 WeakPolarHBondContact O-CB 3.44Å; N148-N152 PolarHBondContact O-N 3.15Å; N148-N152 PolarHBondContact O-OD1 2.72Å; N148-N152 VanDerWaalsContact O-OD1 3.09Å
149S91Very high80.5Confident48 Ų48112.8 Ų112.834%0.33659%0.592SS.*Hα-helixtrans-64-44.1176.2-174.60000111.6K145 Y146 L147 S156K145-S149 PolarHBondContact O-N 2.94Å; Y146-S149 WeakPolarHBondContact O-CB 3.19Å; Y146-S149 PolarHBondContact O-N 3.31Å; Y146-S149 VanDerWaalsContact O-N 3.1Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.29Å; S149-S156 PolarHBondContact OG-OG 3.3Å; S149-S156 VanDerWaalsContact OG-OG 3.12Å
150I91.6Very high78.4Confident100 Ų100114.3 Ų114.351%0.51361%0.606SS.*Hα-helixtrans-65.6-49.8176.9-64.7163.1000111.3Y146 L147 N152 G153Y146-I150 HydrophobicContact CD1-CD1 3.72Å; Y146-I150 HydrophobicContact CD2-CD1 4.26Å; Y146-I150 HydrophobicContact CE1-CD1 3.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.38Å; Y146-I150 HydrophobicContact CE2-CD1 3.8Å; Y146-I150 HydrophobicContact CE2-CG1 4.21Å; Y146-I150 HydrophobicContact CG-CD1 4.23Å; Y146-I150 PolarHBondContact O-N 3.48Å; L147-I150 PolarHBondContact O-N 3.33Å; I150-N152 VanDerWaalsContact C-N 3.32Å; I150-N152 PolarHBondContact O-N 3.41Å; I150-G153 PolarHBondContact O-N 3.36Å; I150-G153 VanDerWaalsContact O-N 3.15Å
151L88.9Confident76.3Confident131 Ų131113.8 Ų113.869%0.68662%0.616SS**Hα-helixtrans-65.2-38-174.8-177.663.9000111.9L147 G153L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 PolarHBondContact O-N 2.79Å; L151-G153 PolarHBondContact O-N 3.24Å; L151-G153 VanDerWaalsContact O-N 3.13Å
152N86.6Confident74.5Confident103 Ų103113.7 Ų113.755%0.55162%0.622SS**THydrogen-bonded Turntrans-74.2-2.2-178.2-68.123.6000112.2N148 I150 K154N148-N152 WeakPolarHBondContact O-CB 3.44Å; N148-N152 PolarHBondContact O-N 3.15Å; N148-N152 PolarHBondContact O-OD1 2.72Å; N148-N152 VanDerWaalsContact O-OD1 3.09Å; I150-N152 VanDerWaalsContact C-N 3.32Å; I150-N152 PolarHBondContact O-N 3.41Å; N152-K154 WeakPolarHBondContact O-CB 3.37Å; N152-K154 WeakPolarHBondContact O-CG 2.99Å; N152-K154 PolarHBondContact O-N 3.5Å
153G70.6Confident72.6Confident69 Ų69117.2 Ų117.271%0.71164%0.636SS**THydrogen-bonded Turntrans58.46.9171.400000114.6I150 L151I150-G153 PolarHBondContact O-N 3.36Å; I150-G153 VanDerWaalsContact O-N 3.15Å; L151-G153 PolarHBondContact O-N 3.24Å; L151-G153 VanDerWaalsContact O-N 3.13Å
154K58.1Low70.7Confident168 Ų168118.6 Ų118.673%0.7363%0.634SS**  trans-111.2122.6-168.4-82.1177.4178.2179.30107.5N152 S156N152-K154 WeakPolarHBondContact O-CB 3.37Å; N152-K154 WeakPolarHBondContact O-CG 2.99Å; N152-K154 PolarHBondContact O-N 3.5Å; K154-S156 PolarHBondContact O-N 3.03Å
155R54.4Low68.6Low241 Ų241119.7 Ų119.791%0.90965%0.645SS**  trans-49.771.5168.6-54.6163.874.192.4-0.5110.9S157R155-S157 PolarHBondContact O-N 3.11Å
156S55.7Low66.8Low80 Ų80119.2 Ų119.256%0.55965%0.646SS**  trans-70.961.8157.761.30000107.4S149 K154 E158S149-S156 PolarHBondContact OG-OG 3.3Å; S149-S156 VanDerWaalsContact OG-OG 3.12Å; K154-S156 PolarHBondContact O-N 3.03Å; S156-E158 PolarHBondContact O-N 3.02Å
157S50Low65Low104 Ų104118.4 Ų118.473%0.72765%0.648SS**  trans-72.168154.9169.20000105.5R155R155-S157 PolarHBondContact O-N 3.11Å
158E51.6Low62.9Low172 Ų172121 Ų12180%0.80466%0.661SS**  trans-123.385.5163.4-162.566-126.600105.9S156 D160S156-E158 PolarHBondContact O-N 3.02Å; E158-D160 PolarHBondContact O-N 3.26Å
159G50Low60.4Low68 Ų68126.4 Ų126.470%0.70168%0.684SS**SBendtrans81.7-18133.900000120.5
160D50.8Low58Low152 Ų152136.4 Ų136.481%0.81372%0.722SS**  trans-114.586178-78.9-26.6000110.1E158 P162E158-D160 PolarHBondContact O-N 3.26Å; D160-P162 VanDerWaalsContact O-CD 3.24Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å; D160-P162 VanDerWaalsContact O-N 3.12Å
161S49.9Very low56.3Low109 Ų109138.2 Ų138.276%0.76273%0.732SS**  trans-53.2113.6162.847.90000108.4D163S161-D163 PolarHBondContact O-N 3.01Å; S161-D163 VanDerWaalsContact O-N 3.11Å
162P56.3Low54.6Low95 Ų95138.6 Ų138.662%0.61774%0.735SS**  trans-78.7108.4-178.834.1-33.4000107D160 F164D160-P162 VanDerWaalsContact O-CD 3.24Å; D160-P162 WeakPolarHBondContact O-CD 3.47Å; D160-P162 VanDerWaalsContact O-N 3.12Å; P162-F164 HydrophobicContact CB-CD2 3.61Å; P162-F164 HydrophobicContact CB-CE2 3.8Å; P162-F164 HydrophobicContact CG-CD2 4.13Å; P162-F164 PolarHBondContact O-N 3.06Å
163D54.1Low52.8Low110 Ų110140.6 Ų140.659%0.58875%0.745SS**  trans-68.858.7177.9-163.615.4000111S161 L165S161-D163 PolarHBondContact O-N 3.01Å; S161-D163 VanDerWaalsContact O-N 3.11Å; D163-L165 VanDerWaalsContact C-N 3.29Å
164F54.7Low51.7Low125 Ų125144.8 Ų144.855%0.54875%0.747SS.*THydrogen-bonded Turntrans-78.4-16.5175.6-86.8-72.5000112P162P162-F164 HydrophobicContact CB-CD2 3.61Å; P162-F164 HydrophobicContact CB-CE2 3.8Å; P162-F164 HydrophobicContact CG-CD2 4.13Å; P162-F164 PolarHBondContact O-N 3.06Å
165L52Low51.3Low151 Ų151143.3 Ų143.379%0.79175%0.748SS**THydrogen-bonded Turntrans-80-27.8-178.3-70.3-170.6000113D163D163-L165 VanDerWaalsContact C-N 3.29Å
166E56.4Low51.1Low152 Ų152136.8 Ų136.871%0.7174%0.737SS**THydrogen-bonded Turntrans-74.5-28.1174.9-86.3-151.6159.500113.8L168E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.94Å
167E54.7Low50.8Low141 Ų141140.9 Ų140.966%0.65975%0.75SS**THydrogen-bonded Turntrans-82.7-8.8-176-147.2-177.1174.900113.7
168L51.5Low50.9Low154 Ų154143.7 Ų143.781%0.80675%0.751SS**THydrogen-bonded Turntrans-98.9-6.5178.9-103.9156.8000114.3E166E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.94Å
169E39.5Very low50.8Low182 Ų182141.3 Ų141.385%0.8575%0.747SS**  trans-105.425.3178.6-150.1-175.6163.900114
170K39.8Very low50.9Low257 Ų257148 Ų148100%1.11775%0.751SS**  trans-140.40173.4-159.5-177.4179.7-160.60113.3

Retrieved 170 of 170 residues in 61.4 ms (Link to these results)