X6RIY5_HUMAN Loading...

UBX domain protein 11

AlphaFold DB , UniProt , Accession X6RIY5, Species HUMAN (Homo sapiens, Human), Gene UBXN11, Length 207 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
1M41.1Very low47.9Very low235 Ų235142.6 Ų142.6100%1.15885%0.848SS**  0129.60-68.5-171.877.800108.2
2S39.8Very low48.3Very low118 Ų118150.4 Ų150.483%0.82585%0.852SS**  trans59.9104.3162.9-58.50000121.6
3S45Very low49.1Very low114 Ų114153.7 Ų153.780%0.79785%0.851SS**  trans-32.6-175.5146.6-33.60000117.7
4P54.7Low49.6Very low119 Ų119151.8 Ų151.877%0.77385%0.845SS**  cis-136.2162.4-36.426.8-5.5000114.7
5L45.4Very low49.3Very low185 Ų185149.6 Ų149.697%0.96984%0.84SS**  trans-84.3114.2162.5-86.8159.4000110.2
6A47.8Very low49.8Very low94 Ų94150.6 Ų150.678%0.77784%0.842SS**  trans-118.9114.7166.700000108.5
7S53.1Low49.7Very low113 Ų113149 Ų14979%0.7984%0.839SS**  trans-135.287.2167.7-164.70000110.2
8L53.2Low49.6Very low154 Ų154147.1 Ų147.181%0.80684%0.837SS**  trans40.291134.3-62.6165.8000118K10L8-K10 PolarHBondContact O-N 2.9Å; L8-K10 VanDerWaalsContact O-N 3.16Å
9S44.5Very low49.5Very low116 Ų116149 Ų14981%0.81184%0.838SS**  trans-70.498.1153.349.20000109.8T11S9-T11 PolarHBondContact O-N 3.31Å
10K48.9Very low49.5Very low194 Ų194147.4 Ų147.484%0.84383%0.834SS**  trans-92.983.4177.2-154.3152.2-172.6169.60109.8L8 R12L8-K10 PolarHBondContact O-N 2.9Å; L8-K10 VanDerWaalsContact O-N 3.16Å; K10-R12 PolarHBondContact O-N 3.24Å
11T53.3Low49Very low127 Ų127149.4 Ų149.478%0.77984%0.839SS**  trans-71.810516845.20000109S9 K13S9-T11 PolarHBondContact O-N 3.31Å; T11-K13 PolarHBondContact O-N 2.89Å; T11-K13 VanDerWaalsContact O-N 3.14Å
12R53.3Low49.3Very low236 Ų236145.4 Ų145.489%0.89182%0.822SS**  trans-75.1100.1173.5-159.3177.6-162.9174.33.6107.9K10 V14K10-R12 PolarHBondContact O-N 3.24Å; R12-V14 PolarHBondContact O-N 3.13Å
13K57.9Low49.9Very low193 Ų193145.3 Ų145.384%0.83982%0.819SS**PPolyproline II helixtrans-63122.8167.7-78.3-177.9174.5-179.20108.9T11T11-K13 PolarHBondContact O-N 2.89Å; T11-K13 VanDerWaalsContact O-N 3.14Å
14V56.2Low49.8Very low127 Ų127143.6 Ų143.677%0.7782%0.819SS**PPolyproline II helixtrans-79.1127.3170.6176.60000108.2R12R12-V14 PolarHBondContact O-N 3.13Å
15P45.8Very low49.3Very low119 Ų119148.1 Ų148.177%0.77382%0.821SS**PPolyproline II helixtrans-73.5126.3173.4-15.330.3000110.8
16L56.8Low49.4Very low165 Ų165149.7 Ų149.786%0.86481%0.814SS**PPolyproline II helixtrans-70.1140.1165-67.5170000109.3
17P49Very low49.4Very low124 Ų124148.6 Ų148.681%0.80581%0.812SS**PPolyproline II helixtrans-70.1132.5174.227.1-30.8000111
18S46.9Very low49Very low114 Ų114150.6 Ų150.680%0.79781%0.812SS**PPolyproline II helixtrans-60.6132.7175.847.10000113.4
19E47.7Very low49.1Very low184 Ų184153.9 Ų153.986%0.8681%0.814SS**PPolyproline II helixtrans-63.7143.2163.8-78.3179137.600111.5M21E19-M21 PolarHBondContact O-N 3.3Å
20P49.1Very low49.4Very low117 Ų117155.2 Ų155.276%0.7681%0.811SS**  trans-78.1115.4168.329.5-29.8000111.1N22P20-N22 PolarHBondContact O-N 2.94Å
21M39Very low49.7Very low190 Ų190156.3 Ų156.394%0.93681%0.811SS**PPolyproline II helixtrans-62.5119.7166.4-163.8165.99300110E19E19-M21 PolarHBondContact O-N 3.3Å
22N47.9Very low49.2Very low150 Ų150153.3 Ų153.380%0.80281%0.806SS**PPolyproline II helixtrans-99.7127.5175.3-118.5-42.9000110P20P20-N22 PolarHBondContact O-N 2.94Å
23P52.3Low49.1Very low117 Ų117149.8 Ų149.876%0.7681%0.805SS**PPolyproline II helixtrans-83.3138.7175.333.7-30.1000110.3
24G43.3Very low48.7Very low78 Ų78146.9 Ų146.980%0.80480%0.802SS**PPolyproline II helixtrans-67.6167.2-164.700000117.7
25R44.3Very low48.6Very low214 Ų214143.9 Ų143.981%0.80879%0.786SS**  trans-150.5113.7155-129.4178.4-165.7-111.65.4110.6
26R48.2Very low49.2Very low217 Ų217142.3 Ų142.382%0.81978%0.783SS**  trans33127.5142.9-68.7178.1-115.3-153.8-3.7119
27G47.3Very low49.5Very low72 Ų72137.5 Ų137.574%0.74276%0.763SS**  trans-78.8172.1-17300000116.4
28I43.5Very low50.5Low154 Ų154137.2 Ų137.279%0.7975%0.75SS**  trans-161126.1152.4-90.9143.1000104.5I30I28-I30 HydrophobicContact CG2-CD1 4.06Å; I28-I30 HydrophobicContact CG2-CG1 3.77Å
29R56.3Low52.1Low224 Ų224137 Ų13785%0.84574%0.741SS**  trans-82120.9169.7-70.7-175.7-171-116.72.2107.9
30I50.1Low53.9Low144 Ų144132.1 Ų132.174%0.73873%0.726SS**  trans-133.7117.8159.7-63.3-174.1000106.2I28 G32I28-I30 HydrophobicContact CG2-CD1 4.06Å; I28-I30 HydrophobicContact CG2-CG1 3.77Å; I30-G32 PolarHBondContact O-N 3.35Å
31Y55.2Low55.8Low216 Ų216132.4 Ų132.485%0.84772%0.718SS**  trans-66.3115.8167.8-71.3-97.5000107.4
32G42.5Very low58.3Low65 Ų65127.7 Ų127.767%0.6770%0.696SS**  trans-172.8111.1178.300000109.8I30I30-G32 PolarHBondContact O-N 3.35Å
33D51.9Low60.4Low162 Ų162125.8 Ų125.887%0.86668%0.684SS**  trans32.1100.8161.6-108.4-7.3000117.6P35D33-P35 WeakPolarHBondContact O-CD 2.85Å
34V50.4Low62.3Low131 Ų131122.9 Ų122.979%0.79467%0.669SS**  trans-70.4122.5160.4175.50000107.1A36V34-A36 PolarHBondContact O-N 3.32Å
35P52.6Low64.7Low64 Ų64124.9 Ų124.942%0.41666%0.656SS.*  trans-70.6108.6176.1-925.7000107.5D33 S37 H38D33-P35 WeakPolarHBondContact O-CD 2.85Å; P35-S37 VanDerWaalsContact CB-OG 3.27Å; P35-S37 WeakPolarHBondContact CB-OG 3.47Å; P35-S37 PolarHBondContact O-N 3.47Å; P35-H38 PolarHBondContact O-N 3.38Å
36A59Low67.2Low86 Ų86119.3 Ų119.371%0.71164%0.64SS**Hα-helixtrans-56.2-10.9170.100000112.9V34 S40V34-A36 PolarHBondContact O-N 3.32Å; A36-S40 PolarHBondContact O-N 3.03Å
37S62.3Low69.3Low64 Ų64112.9 Ų112.945%0.44863%0.625SS.*Hα-helixtrans-71.7-35.5175.751.20000114.3P35 D39 S40 E41P35-S37 VanDerWaalsContact CB-OG 3.27Å; P35-S37 WeakPolarHBondContact CB-OG 3.47Å; P35-S37 PolarHBondContact O-N 3.47Å; S37-D39 PolarHBondContact O-N 2.93Å; S37-S40 WeakPolarHBondContact O-CB 3.25Å; S37-S40 PolarHBondContact O-N 3.38Å; S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.13Å
38H70.6Confident71.6Confident118 Ų118117.4 Ų117.455%0.54662%0.62SS.*Hα-helixtrans-69.8-36.3-178.3-74.3-51.4000112.6P35 S40 E41 L42P35-H38 PolarHBondContact O-N 3.38Å; H38-S40 VanDerWaalsContact C-N 3.31Å; H38-E41 IonicContact ND1-OE2 3.96Å; H38-E41 PolarHBondContact O-N 3.27Å; H38-L42 WeakPolarHBondContact O-CB 3.35Å; H38-L42 PolarHBondContact O-N 3.48Å
39D80.5Confident74.2Confident111 Ų111115 Ų11559%0.59460%0.603SS**Hα-helixtrans-69.2-34.9175.5-148.126.2000110.5S37 M43S37-D39 PolarHBondContact O-N 2.93Å; D39-M43 VanDerWaalsContact O-CB 3.32Å; D39-M43 WeakPolarHBondContact O-CB 3.23Å; D39-M43 WeakPolarHBondContact O-CG 3.44Å; D39-M43 PolarHBondContact O-N 3.03Å
40S85.3Confident76.1Confident80 Ų80109.6 Ų109.656%0.55959%0.591SS**Hα-helixtrans-65.9-42.6174-177.30000113.2A36 S37 H38 M43 A44A36-S40 PolarHBondContact O-N 3.03Å; S37-S40 WeakPolarHBondContact O-CB 3.25Å; S37-S40 PolarHBondContact O-N 3.38Å; H38-S40 VanDerWaalsContact C-N 3.31Å; S40-M43 PolarHBondContact O-N 3.3Å; S40-A44 WeakPolarHBondContact O-CB 3.49Å; S40-A44 PolarHBondContact O-N 2.88Å
41E88.5Confident78.4Confident124 Ų124109.5 Ų109.558%0.57958%0.581SS**Hα-helixtrans-66.9-40.8176.3-73.1173.5-175.500112S37 H38 A44 F45S37-E41 WeakPolarHBondContact O-CG 3.42Å; S37-E41 PolarHBondContact O-N 3.13Å; H38-E41 IonicContact ND1-OE2 3.96Å; H38-E41 PolarHBondContact O-N 3.27Å; E41-A44 PolarHBondContact O-N 3.34Å; E41-F45 PolarHBondContact O-N 3.44Å
42L92.4Very high80.4Confident91 Ų91102.5 Ų102.548%0.47656%0.559SS.*Hα-helixtrans-62.2-45.7174.4178.662000111.2H38 A44 F45 M46H38-L42 WeakPolarHBondContact O-CB 3.35Å; H38-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-A44 PolarHBondContact O-N 3.38Å; L42-F45 PolarHBondContact O-N 2.84Å; L42-M46 HydrophobicContact CD1-CG 4.3Å; L42-M46 HydrophobicContact CD1-SD 4.34Å; L42-M46 HydrophobicContact CG-SD 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.44Å; L42-M46 WeakPolarHBondContact O-CG 3.4Å; L42-M46 PolarHBondContact O-N 3.01Å
43M91.2Very high83Confident110 Ų110104.1 Ų104.154%0.54255%0.551SS.*Hα-helixtrans-64.7-37.6176.8-70.3-68.9-7900111.9D39 S40 M46 T47D39-M43 VanDerWaalsContact O-CB 3.32Å; D39-M43 WeakPolarHBondContact O-CB 3.23Å; D39-M43 WeakPolarHBondContact O-CG 3.44Å; D39-M43 PolarHBondContact O-N 3.03Å; S40-M43 PolarHBondContact O-N 3.3Å; M43-M46 PolarHBondContact O-N 2.68Å; M43-T47 WeakPolarHBondContact O-CB 3.29Å; M43-T47 VanDerWaalsContact O-CG2 3.25Å; M43-T47 WeakPolarHBondContact O-CG2 3.3Å; M43-T47 PolarHBondContact O-N 2.94Å; M43-T47 PolarHBondContact O-OG1 2.96Å
44A92.1Very high85.2Confident55 Ų55100.9 Ų100.946%0.45553%0.531SS..Hα-helixtrans-63.7-39.7172.900000112.1S40 E41 L42 T47 R48S40-A44 WeakPolarHBondContact O-CB 3.49Å; S40-A44 PolarHBondContact O-N 2.88Å; E41-A44 PolarHBondContact O-N 3.34Å; L42-A44 VanDerWaalsContact C-N 3.35Å; L42-A44 PolarHBondContact O-N 3.38Å; A44-T47 WeakPolarHBondContact CA-OG1 3.42Å; A44-T47 PolarHBondContact O-OG1 3.24Å; A44-R48 WeakPolarHBondContact O-CB 3.45Å; A44-R48 PolarHBondContact O-N 3.5Å
45F95.4Very high87.4Confident121 Ų12198.4 Ų98.453%0.53151%0.511SS..Hα-helixtrans-67.9-44.5174.5177.9-97.6000112.3E41 L42 R48 K49E41-F45 PolarHBondContact O-N 3.44Å; L42-F45 PolarHBondContact O-N 2.84Å; F45-R48 WeakPolarHBondContact O-CB 3.39Å; F45-R48 PolarHBondContact O-N 3.34Å; F45-K49 HydrophobicContact CD1-CG 4.15Å; F45-K49 HydrophobicContact CE1-CG 3.74Å; F45-K49 HydrophobicContact CE2-CG 4.27Å; F45-K49 HydrophobicContact CZ-CD 4.18Å; F45-K49 HydrophobicContact CZ-CG 3.82Å; F45-K49 WeakPolarHBondContact O-CG 3.42Å; F45-K49 PolarHBondContact O-N 2.91Å
46M95.4Very high89.6Confident97 Ų97100.5 Ų100.548%0.47852%0.515SS..Hα-helixtrans-64.8-41178.1-72.1-17672.600111.9L42 M43 R48 K49 L50L42-M46 HydrophobicContact CD1-CG 4.3Å; L42-M46 HydrophobicContact CD1-SD 4.34Å; L42-M46 HydrophobicContact CG-SD 4.2Å; L42-M46 WeakPolarHBondContact O-CB 3.44Å; L42-M46 WeakPolarHBondContact O-CG 3.4Å; L42-M46 PolarHBondContact O-N 3.01Å; M43-M46 PolarHBondContact O-N 2.68Å; M46-R48 VanDerWaalsContact C-N 3.35Å; M46-K49 PolarHBondContact O-N 3.38Å; M46-L50 WeakPolarHBondContact O-CB 3.01Å; M46-L50 VanDerWaalsContact O-CG 3.32Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 3.41Å
47T93.8Very high91.4Very high82 Ų82100.4 Ų100.450%0.50351%0.506SS..Hα-helixtrans-64.6-38.7174.349.20000111.8M43 A44 L50 W51M43-T47 WeakPolarHBondContact O-CB 3.29Å; M43-T47 VanDerWaalsContact O-CG2 3.25Å; M43-T47 WeakPolarHBondContact O-CG2 3.3Å; M43-T47 PolarHBondContact O-N 2.94Å; M43-T47 PolarHBondContact O-OG1 2.96Å; A44-T47 WeakPolarHBondContact CA-OG1 3.42Å; A44-T47 PolarHBondContact O-OG1 3.24Å; T47-L50 PolarHBondContact O-N 2.96Å; T47-W51 WeakPolarHBondContact O-CB 3.4Å; T47-W51 PolarHBondContact O-N 3.31Å
48R95.3Very high93.1Very high167 Ų167101.5 Ų101.563%0.6350%0.502SS*.Hα-helixtrans-62.3-45.5171.7-169.376.8-175-162.61.1111.9A44 F45 M46 W51 D52A44-R48 WeakPolarHBondContact O-CB 3.45Å; A44-R48 PolarHBondContact O-N 3.5Å; F45-R48 WeakPolarHBondContact O-CB 3.39Å; F45-R48 PolarHBondContact O-N 3.34Å; M46-R48 VanDerWaalsContact C-N 3.35Å; R48-W51 WeakPolarHBondContact O-CB 3.46Å; R48-W51 PolarHBondContact O-N 2.77Å; R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.01Å
49K96.8Very high94.4Very high102 Ų10298.7 Ų98.744%0.44350%0.499SS..Hα-helixtrans-64.8-40.2177.3-73.9-62.8-175.4-171.50112.5F45 M46 W51 D52 L53F45-K49 HydrophobicContact CD1-CG 4.15Å; F45-K49 HydrophobicContact CE1-CG 3.74Å; F45-K49 HydrophobicContact CE2-CG 4.27Å; F45-K49 HydrophobicContact CZ-CD 4.18Å; F45-K49 HydrophobicContact CZ-CG 3.82Å; F45-K49 WeakPolarHBondContact O-CG 3.42Å; F45-K49 PolarHBondContact O-N 2.91Å; M46-K49 PolarHBondContact O-N 3.38Å; K49-W51 VanDerWaalsContact C-N 3.33Å; K49-D52 PolarHBondContact O-N 3.46Å; K49-L53 WeakPolarHBondContact O-CB 3.15Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 3.2Å
50L97.3Very high95.2Very high111 Ų11198 Ų9858%0.58149%0.492SS*.Hα-helixtrans-62.2-42.6173.5-77.6170.5000111.1M46 T47 L53 E54M46-L50 WeakPolarHBondContact O-CB 3.01Å; M46-L50 VanDerWaalsContact O-CG 3.32Å; M46-L50 WeakPolarHBondContact O-CG 3.45Å; M46-L50 PolarHBondContact O-N 3.41Å; T47-L50 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 3.08Å; L50-E54 WeakPolarHBondContact O-CB 3.46Å; L50-E54 PolarHBondContact O-N 3.02Å
51W97.6Very high95.8Very high142 Ų14297.2 Ų97.254%0.53849%0.485SS..Hα-helixtrans-61.1-48.9174.7-179.6-86.7000112.1T47 R48 K49 L53 E54 Q55T47-W51 WeakPolarHBondContact O-CB 3.4Å; T47-W51 PolarHBondContact O-N 3.31Å; R48-W51 WeakPolarHBondContact O-CB 3.46Å; R48-W51 PolarHBondContact O-N 2.77Å; K49-W51 VanDerWaalsContact C-N 3.33Å; W51-L53 VanDerWaalsContact C-N 3.3Å; W51-L53 PolarHBondContact O-N 3.1Å; W51-E54 PolarHBondContact O-N 3.25Å; W51-Q55 WeakPolarHBondContact O-CG 3.32Å; W51-Q55 PolarHBondContact O-N 2.77Å
52D97.5Very high96.2Very high70 Ų7096.3 Ų96.337%0.37448%0.484SS..Hα-helixtrans-60.5-41.5178.9-67.3-18.5000111.3R48 K49 Q55 Q56R48-D52 VanDerWaalsContact O-CG 3.28Å; R48-D52 PolarHBondContact O-N 3.01Å; K49-D52 PolarHBondContact O-N 3.46Å; D52-Q55 PolarHBondContact O-N 3.06Å; D52-Q56 WeakPolarHBondContact O-CB 3.32Å; D52-Q56 PolarHBondContact O-N 2.89Å
53L97.6Very high96.5Very high98 Ų9896.6 Ų96.651%0.51348%0.483SS..Hα-helixtrans-66.1-41.6175.5-73.4173.4000112.1K49 L50 W51 Q55 Q56 V57K49-L53 WeakPolarHBondContact O-CB 3.15Å; K49-L53 VanDerWaalsContact O-CG 3.26Å; K49-L53 WeakPolarHBondContact O-CG 3.38Å; K49-L53 PolarHBondContact O-N 3.2Å; L50-L53 PolarHBondContact O-N 3.08Å; W51-L53 VanDerWaalsContact C-N 3.3Å; W51-L53 PolarHBondContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.96Å; L53-Q56 PolarHBondContact O-N 2.93Å; L53-V57 WeakPolarHBondContact O-CG2 3.18Å; L53-V57 PolarHBondContact O-N 3.32Å
54E97.1Very high96.8Very high94 Ų9495.9 Ų95.944%0.43948%0.48SS..Hα-helixtrans-61.3-42.4175.7-169.7-169.8154.500111.2L50 W51 V57 K58L50-E54 WeakPolarHBondContact O-CB 3.46Å; L50-E54 PolarHBondContact O-N 3.02Å; W51-E54 PolarHBondContact O-N 3.25Å; E54-V57 PolarHBondContact O-N 2.9Å; E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 2.87Å; E54-K58 WeakPolarHBondContact OE1-CE 3.46Å; E54-K58 IonicContact OE1-NZ 3.14Å; E54-K58 PolarHBondContact OE1-NZ 3.42Å
55Q97.8Very high97.1Very high80 Ų8097.8 Ų97.837%0.37448%0.482SS..Hα-helixtrans-64.1-41.5174.6-67.7-60.3-3300111.9W51 D52 L53 K58 A59W51-Q55 WeakPolarHBondContact O-CG 3.32Å; W51-Q55 PolarHBondContact O-N 2.77Å; D52-Q55 PolarHBondContact O-N 3.06Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 2.96Å; Q55-K58 PolarHBondContact O-N 3.4Å; Q55-A59 PolarHBondContact O-N 3.02Å
56Q97.9Very high97.2Very high107 Ų10795 Ų9550%0.548%0.478SS..Hα-helixtrans-64-40.9176.9-175.9175.1-11.200111.9D52 L53 K58 A59 Q60D52-Q56 WeakPolarHBondContact O-CB 3.32Å; D52-Q56 PolarHBondContact O-N 2.89Å; L53-Q56 PolarHBondContact O-N 2.93Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-A59 PolarHBondContact O-N 3.47Å; Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.42Å; Q56-Q60 PolarHBondContact O-N 2.99Å
57V97.8Very high97.4Very high85 Ų8595.4 Ų95.452%0.51548%0.477SS..Hα-helixtrans-61.7-43.7175.1169.50000110.4L53 E54 Q60 T61L53-V57 WeakPolarHBondContact O-CG2 3.18Å; L53-V57 PolarHBondContact O-N 3.32Å; E54-V57 PolarHBondContact O-N 2.9Å; V57-Q60 PolarHBondContact O-N 3.1Å; V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 2.88Å; V57-T61 PolarHBondContact O-OG1 2.9Å
58K97.5Very high97.6Very high86 Ų8695.5 Ų95.537%0.37447%0.474SS..Hα-helixtrans-60.2-45.9176-72.5172.2-174.9166.80112.5E54 Q55 Q56 Q60 T61 D62E54-K58 WeakPolarHBondContact O-CG 3.5Å; E54-K58 PolarHBondContact O-N 2.87Å; E54-K58 WeakPolarHBondContact OE1-CE 3.46Å; E54-K58 IonicContact OE1-NZ 3.14Å; E54-K58 PolarHBondContact OE1-NZ 3.42Å; Q55-K58 PolarHBondContact O-N 3.4Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 2.95Å; K58-T61 WeakPolarHBondContact CA-OG1 3.35Å; K58-T61 PolarHBondContact O-N 3.03Å; K58-T61 PolarHBondContact O-OG1 2.87Å; K58-D62 PolarHBondContact O-N 3.22Å
59A97.4Very high97.7Very high59 Ų5994.3 Ų94.349%0.48848%0.476SS..Hα-helixtrans-62.2-40177.200000112Q55 Q56 D62 E63Q55-A59 PolarHBondContact O-N 3.02Å; Q56-A59 PolarHBondContact O-N 3.47Å; A59-D62 PolarHBondContact O-N 2.94Å; A59-E63 PolarHBondContact O-N 3.33Å
60Q98Very high97.7Very high96 Ų9696.2 Ų96.245%0.44948%0.484SS..Hα-helixtrans-67.3-38.8176.5-74179.8-17.300112.3Q56 V57 K58 E63 I64Q56-Q60 WeakPolarHBondContact O-CB 3.44Å; Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.42Å; Q56-Q60 PolarHBondContact O-N 2.99Å; V57-Q60 PolarHBondContact O-N 3.1Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 2.95Å; Q60-E63 PolarHBondContact O-N 2.72Å; Q60-I64 WeakPolarHBondContact O-CD1 3.5Å; Q60-I64 VanDerWaalsContact O-CG1 3.25Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.27Å
61T97.6Very high97.7Very high65 Ų6594.8 Ų94.840%0.39948%0.476SS..Hα-helixtrans-64-42.5175.9490000111.5V57 K58 E63 I64 L65V57-T61 WeakPolarHBondContact O-CG2 3.48Å; V57-T61 PolarHBondContact O-N 2.88Å; V57-T61 PolarHBondContact O-OG1 2.9Å; K58-T61 WeakPolarHBondContact CA-OG1 3.35Å; K58-T61 PolarHBondContact O-N 3.03Å; K58-T61 PolarHBondContact O-OG1 2.87Å; T61-E63 PolarHBondContact O-N 2.78Å; T61-I64 PolarHBondContact O-N 2.87Å; T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 3.46Å
62D97.5Very high97.7Very high105 Ų10590.6 Ų90.656%0.56147%0.472SS*.Hα-helixtrans-65.5-40.2178.5-66.2-18.1000111.5K58 A59 L65 S66K58-D62 PolarHBondContact O-N 3.22Å; A59-D62 PolarHBondContact O-N 2.94Å; D62-L65 PolarHBondContact O-N 3Å; D62-S66 PolarHBondContact O-N 3.4Å
63E98.1Very high97.7Very high97 Ų9790.2 Ų90.245%0.45348%0.479SS..Hα-helixtrans-62.9-42.9175.1-170.8-173.7170.900111.7A59 Q60 T61 S66 K67A59-E63 PolarHBondContact O-N 3.33Å; Q60-E63 PolarHBondContact O-N 2.72Å; T61-E63 PolarHBondContact O-N 2.78Å; E63-S66 PolarHBondContact O-N 3.11Å; E63-S66 PolarHBondContact O-OG 3.38Å; E63-K67 HydrophobicContact CG-CD 4.48Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.69Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å
64I97.8Very high97.6Very high94 Ų9490 Ų9048%0.48248%0.477SS..Hα-helixtrans-60.8-48.2176.3-71.6165.3000110.3Q60 T61 S66 K67 D68Q60-I64 WeakPolarHBondContact O-CD1 3.5Å; Q60-I64 VanDerWaalsContact O-CG1 3.25Å; Q60-I64 WeakPolarHBondContact O-CG1 3.4Å; Q60-I64 PolarHBondContact O-N 3.27Å; T61-I64 PolarHBondContact O-N 2.87Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.38Å; I64-K67 PolarHBondContact O-N 3.32Å; I64-D68 WeakPolarHBondContact CG2-OD2 3.44Å; I64-D68 PolarHBondContact O-N 2.98Å
65L98.2Very high97.4Very high95 Ų9591.4 Ų91.450%0.49748%0.484SS..Hα-helixtrans-58.9-39.6177.8-68.8174000112T61 D62 K67 D68 Q69T61-L65 VanDerWaalsContact O-CG 3.3Å; T61-L65 WeakPolarHBondContact O-CG 3.47Å; T61-L65 PolarHBondContact O-N 3.46Å; D62-L65 PolarHBondContact O-N 3Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-D68 PolarHBondContact O-N 3.28Å; L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 3.25Å
66S98.1Very high97.1Very high63 Ų6393.1 Ų93.144%0.44150%0.496SS..Hα-helixtrans-64.4-37176.379.60000112.7D62 E63 I64 K70D62-S66 PolarHBondContact O-N 3.4Å; E63-S66 PolarHBondContact O-N 3.11Å; E63-S66 PolarHBondContact O-OG 3.38Å; I64-S66 VanDerWaalsContact C-N 3.27Å; I64-S66 PolarHBondContact O-N 3.38Å; S66-K70 PolarHBondContact O-N 2.87Å; S66-K70 VanDerWaalsContact O-N 3.17Å
67K98.3Very high96.9Very high105 Ų10592.6 Ų92.646%0.45750%0.496SS..Hα-helixtrans-72.9-39.8177.1-72174.6-176.6167.30111.2E63 I64 L65 Q69 K70 I71E63-K67 HydrophobicContact CG-CD 4.48Å; E63-K67 WeakPolarHBondContact O-CG 3.34Å; E63-K67 PolarHBondContact O-N 2.88Å; E63-K67 WeakPolarHBondContact OE1-CE 3.36Å; E63-K67 IonicContact OE1-NZ 2.69Å; E63-K67 PolarHBondContact OE1-NZ 3.2Å; I64-K67 PolarHBondContact O-N 3.32Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 3.02Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.92Å; K67-K70 CarbonylContact O-C 3.6Å; K67-K70 WeakPolarHBondContact O-CB 3.44Å; K67-K70 PolarHBondContact O-N 2.69Å; K67-K70 VanDerWaalsContact O-N 3.15Å; K67-I71 WeakPolarHBondContact O-CB 3.39Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.2Å; K67-I71 PolarHBondContact O-N 3.32Å
68D97.9Very high96.3Very high84 Ų8492 Ų9245%0.44949%0.492SS..Hα-helixtrans-62.5-41.9176.5-69.9-20.8000111.1I64 L65 K70 I71 A72I64-D68 WeakPolarHBondContact CG2-OD2 3.44Å; I64-D68 PolarHBondContact O-N 2.98Å; L65-D68 PolarHBondContact O-N 3.28Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.88Å; D68-I71 PolarHBondContact O-N 3.18Å; D68-A72 WeakPolarHBondContact O-CB 3.43Å; D68-A72 PolarHBondContact O-N 2.92Å
69Q98.1Very high95.8Very high143 Ų14393.9 Ų93.967%0.66850%0.502SS*.Hα-helixtrans-60.5-42.1172.5-72.6173.315.900112.2L65 K67 A72 A73L65-Q69 WeakPolarHBondContact O-CG 3.46Å; L65-Q69 PolarHBondContact O-N 3.25Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-Q69 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 3.41Å; Q69-A73 PolarHBondContact O-N 3.03Å
70K97.9Very high94.7Very high142 Ų14296 Ų9662%0.61751%0.509SS*.Hα-helixtrans-67.4-39.8177.4-175.8173.9-178.5175.80112S66 K67 D68 A73 L74S66-K70 PolarHBondContact O-N 2.87Å; S66-K70 VanDerWaalsContact O-N 3.17Å; K67-K70 CarbonylContact O-C 3.6Å; K67-K70 WeakPolarHBondContact O-CB 3.44Å; K67-K70 PolarHBondContact O-N 2.69Å; K67-K70 VanDerWaalsContact O-N 3.15Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-K70 PolarHBondContact O-N 2.88Å; K70-A73 PolarHBondContact O-N 3.09Å; K70-L74 HydrophobicContact CG-CD1 4.08Å; K70-L74 HydrophobicContact CG-CG 4.44Å; K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.34Å
71I97.3Very high93.7Very high81 Ų8197.2 Ų97.242%0.41552%0.518SS..Hα-helixtrans-61.1-50175.5-71.3164.1000108.9K67 D68 A73 L74 E75K67-I71 WeakPolarHBondContact O-CB 3.39Å; K67-I71 VanDerWaalsContact O-CG1 3.24Å; K67-I71 WeakPolarHBondContact O-CG1 3.2Å; K67-I71 PolarHBondContact O-N 3.32Å; D68-I71 PolarHBondContact O-N 3.18Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.78Å; I71-L74 CarbonylContact O-C 3.6Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.12Å; I71-E75 HydrophobicContact CG2-CG 4.11Å; I71-E75 WeakPolarHBondContact CG2-OE1 3.32Å; I71-E75 WeakPolarHBondContact O-CB 3.27Å; I71-E75 VanDerWaalsContact O-CG 3.29Å; I71-E75 WeakPolarHBondContact O-CG 3.38Å; I71-E75 PolarHBondContact O-N 2.83Å
72A97Very high92.2Very high53 Ų53102.9 Ų102.944%0.43853%0.532SS..Hα-helixtrans-57-44.4177.500000112.4D68 Q69 L74 E75 D76D68-A72 WeakPolarHBondContact O-CB 3.43Å; D68-A72 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 3.41Å; A72-L74 PolarHBondContact O-N 3.42Å; A72-E75 PolarHBondContact O-N 2.87Å; A72-D76 PolarHBondContact O-N 3.09Å
73A97Very high90.3Very high63 Ų63100.8 Ų100.852%0.52152%0.524SS..Hα-helixtrans-64.5-38.6177.200000113.1Q69 K70 I71 L77Q69-A73 PolarHBondContact O-N 3.03Å; K70-A73 PolarHBondContact O-N 3.09Å; I71-A73 VanDerWaalsContact C-N 3.33Å; I71-A73 PolarHBondContact O-N 2.78Å; A73-L77 PolarHBondContact O-N 3.35Å
74L95.6Very high88.3Confident92 Ų92104.3 Ų104.348%0.48254%0.54SS..Hα-helixtrans-71.7-36.7176.2-71.8174000111.9K70 I71 A72 L77 V78K70-L74 HydrophobicContact CG-CD1 4.08Å; K70-L74 HydrophobicContact CG-CG 4.44Å; K70-L74 WeakPolarHBondContact O-CB 3.41Å; K70-L74 VanDerWaalsContact O-CG 3.26Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.34Å; I71-L74 CarbonylContact O-C 3.6Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.12Å; A72-L74 PolarHBondContact O-N 3.42Å; L74-L77 PolarHBondContact O-N 3.09Å; L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.33Å
75E92.4Very high86.5Confident124 Ų124103 Ų10358%0.57954%0.538SS*.Hα-helixtrans-64-43.1174.5-75175.9168.100111I71 A72 V78 Q79I71-E75 HydrophobicContact CG2-CG 4.11Å; I71-E75 WeakPolarHBondContact CG2-OE1 3.32Å; I71-E75 WeakPolarHBondContact O-CB 3.27Å; I71-E75 VanDerWaalsContact O-CG 3.29Å; I71-E75 WeakPolarHBondContact O-CG 3.38Å; I71-E75 PolarHBondContact O-N 2.83Å; A72-E75 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 3.14Å; E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.36Å; E75-Q79 PolarHBondContact O-N 2.95Å
76D92.8Very high84.8Confident117 Ų117100.7 Ų100.763%0.62653%0.532SS*.Hα-helixtrans-61-46.2173.2-11320.8000111.4A72 V78 Q79 T80A72-D76 PolarHBondContact O-N 3.09Å; D76-V78 PolarHBondContact O-N 3.35Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.91Å; D76-Q79 VanDerWaalsContact O-N 3.17Å; D76-T80 WeakPolarHBondContact O-CG2 3.3Å; D76-T80 PolarHBondContact O-N 3.36Å; D76-T80 PolarHBondContact O-OG1 3.41Å
77L92Very high83.4Confident96 Ų96104.2 Ų104.250%0.50354%0.542SS..Hα-helixtrans-61.2-46.7176.7-173.870.3000111A73 L74 Q79 T80 L81A73-L77 PolarHBondContact O-N 3.35Å; L74-L77 PolarHBondContact O-N 3.09Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.34Å; L77-T80 PolarHBondContact O-N 3.12Å; L77-T80 PolarHBondContact O-OG1 3.48Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.01Å
78V86.9Confident82.1Confident72 Ų72101.8 Ų101.844%0.43654%0.541SS..Hα-helixtrans-59.5-43.5175.1168.50000110.1L74 E75 D76 T80 L81 R82L74-V78 WeakPolarHBondContact O-CB 3.42Å; L74-V78 VanDerWaalsContact O-CG2 3.24Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.33Å; E75-V78 PolarHBondContact O-N 3.14Å; D76-V78 PolarHBondContact O-N 3.35Å; V78-T80 PolarHBondContact O-N 2.86Å; V78-L81 CarbonylContact O-C 3.51Å; V78-L81 PolarHBondContact O-N 3.48Å; V78-R82 HydrophobicContact CG1-CB 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.17Å
79Q85.1Confident81Confident126 Ų126101.6 Ų101.659%0.58954%0.544SS*.Hα-helixtrans-62.7-41.8179.5-17162.52800112.2E75 D76 L77 L81 R82E75-Q79 VanDerWaalsContact O-CB 3.26Å; E75-Q79 WeakPolarHBondContact O-CB 3.36Å; E75-Q79 PolarHBondContact O-N 2.95Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.91Å; D76-Q79 VanDerWaalsContact O-N 3.17Å; L77-Q79 VanDerWaalsContact C-N 3.29Å; L77-Q79 PolarHBondContact O-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.92Å; Q79-R82 PolarHBondContact O-N 3.21Å
80T76.1Confident80.2Confident102 Ų102100 Ų10063%0.62654%0.539SS*.Hα-helixtrans-63.9-29.9173.261.30000112.7D76 L77 V78D76-T80 WeakPolarHBondContact O-CG2 3.3Å; D76-T80 PolarHBondContact O-N 3.36Å; D76-T80 PolarHBondContact O-OG1 3.41Å; L77-T80 PolarHBondContact O-N 3.12Å; L77-T80 PolarHBondContact O-OG1 3.48Å; V78-T80 PolarHBondContact O-N 2.86Å
81L76.3Confident79.5Confident122 Ų12299.1 Ų99.164%0.63954%0.537SS*.Hα-helixtrans-87.6-19.6-180-66.4171.8000113.8L77 V78 Q79L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CG-CD1 4Å; L77-L81 WeakPolarHBondContact O-CB 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.31Å; L77-L81 PolarHBondContact O-N 3.01Å; V78-L81 CarbonylContact O-C 3.51Å; V78-L81 PolarHBondContact O-N 3.48Å; Q79-L81 PolarHBondContact O-N 2.92Å
82R66.4Low79Confident185 Ų185102.5 Ų102.570%0.69854%0.544SS*.SBendtrans-85.9-37.1-156.4-158.1169.9-172.4176.21.8118.7V78 Q79V78-R82 HydrophobicContact CG1-CB 4.45Å; V78-R82 WeakPolarHBondContact O-CB 3.42Å; V78-R82 PolarHBondContact O-N 3.17Å; Q79-R82 PolarHBondContact O-N 3.21Å
83P57.8Low78.6Confident60 Ų60104.8 Ų104.839%0.3955%0.546SS..SBendtrans-145.9-20.5-179.420.83.4000119.8P85 A86P83-P85 VanDerWaalsContact C-CD 3.45Å; P83-P85 VanDerWaalsContact C-N 3.34Å; P83-A86 PolarHBondContact O-N 2.97Å; P83-A86 VanDerWaalsContact O-N 3.12Å
84H55.6Low78.4Confident171 Ų171107.9 Ų107.979%0.79255%0.55SS*.Hα-helixtrans-62.7-30.5179.3-160.951.4000114.8
85P60.2Low78.3Confident68 Ų68108.7 Ų108.744%0.44255%0.551SS.*Hα-helixtrans-77.5-28.6171.227.6-31.8000113.2P83 T89P83-P85 VanDerWaalsContact C-CD 3.45Å; P83-P85 VanDerWaalsContact C-N 3.34Å; P85-T89 VanDerWaalsContact O-CB 3.24Å; P85-T89 WeakPolarHBondContact O-CB 3.31Å; P85-T89 WeakPolarHBondContact O-CG2 3.39Å; P85-T89 PolarHBondContact O-N 2.88Å; P85-T89 PolarHBondContact O-OG1 3.25Å
86A63.2Low78.4Confident45 Ų45107.1 Ų107.137%0.37255%0.546SS..Hα-helixtrans-67-50-170.700000112.4P83 T89 L90P83-A86 PolarHBondContact O-N 2.97Å; P83-A86 VanDerWaalsContact O-N 3.12Å; A86-T89 WeakPolarHBondContact CA-OG1 3.39Å; A86-T89 PolarHBondContact O-N 2.77Å; A86-T89 PolarHBondContact O-OG1 3.38Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.04Å; A86-L90 PolarHBondContact O-N 3.48Å
87E66.8Low78.6Confident137 Ų137106.4 Ų106.464%0.6454%0.539SS*.Hα-helixtrans-67.8-40.9-179.2-67.1175.2-179.900112.3L90 Q91E87-L90 PolarHBondContact O-N 3.32Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.46Å
88A72.4Confident78.8Confident54 Ų54105.1 Ų105.145%0.44654%0.535SS..Hα-helixtrans-65.7-37.417500000112R92A88-R92 VanDerWaalsContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CB 3.22Å; A88-R92 PolarHBondContact O-N 2.8Å
89T74.3Confident79.3Confident81 Ų81106.2 Ų106.250%0.49754%0.537SS..Hα-helixtrans-67.7-37.2173.7570000112.2P85 A86 R92 Q93P85-T89 VanDerWaalsContact O-CB 3.24Å; P85-T89 WeakPolarHBondContact O-CB 3.31Å; P85-T89 WeakPolarHBondContact O-CG2 3.39Å; P85-T89 PolarHBondContact O-N 2.88Å; P85-T89 PolarHBondContact O-OG1 3.25Å; A86-T89 WeakPolarHBondContact CA-OG1 3.39Å; A86-T89 PolarHBondContact O-N 2.77Å; A86-T89 PolarHBondContact O-OG1 3.38Å; T89-R92 PolarHBondContact O-N 2.8Å; T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.95Å
90L81.8Confident79.9Confident108 Ų108103.4 Ų103.457%0.56553%0.53SS*.Hα-helixtrans-67.3-44.3176.8-72.3174.2000111.5A86 E87 Q93 E94A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.04Å; A86-L90 PolarHBondContact O-N 3.48Å; E87-L90 PolarHBondContact O-N 3.32Å; L90-Q93 PolarHBondContact O-N 3.3Å; L90-E94 WeakPolarHBondContact O-CB 3.36Å; L90-E94 PolarHBondContact O-N 3.43Å
91Q81.8Confident80.9Confident124 Ų124102.8 Ų102.858%0.57953%0.526SS*.Hα-helixtrans-61-46.6174.5-73.8178.1-6.100111.4E87 Q93 E94 E95E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.46Å; Q91-Q93 VanDerWaalsContact C-N 3.28Å; Q91-Q93 PolarHBondContact O-N 2.95Å; Q91-E94 PolarHBondContact O-N 3.33Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.88Å
92R87.3Confident81.9Confident152 Ų152102.6 Ų102.657%0.57452%0.522SS*.Hα-helixtrans-62.8-37.1177.2-179.756.2-179.8-130.70.4112.2A88 T89 L96A88-R92 VanDerWaalsContact O-CB 3.3Å; A88-R92 WeakPolarHBondContact O-CB 3.22Å; A88-R92 PolarHBondContact O-N 2.8Å; T89-R92 PolarHBondContact O-N 2.8Å; R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.31Å; R92-L96 WeakPolarHBondContact O-CG 3.23Å; R92-L96 PolarHBondContact O-N 3.07Å
93Q88.9Confident83.3Confident102 Ų10298.2 Ų98.248%0.47751%0.512SS..Hα-helixtrans-65.5-47.2175.4179177.7-21.200110.8T89 L90 Q91 E95 L96 E97T89-Q93 WeakPolarHBondContact O-CB 3.47Å; T89-Q93 PolarHBondContact O-N 2.95Å; L90-Q93 PolarHBondContact O-N 3.3Å; Q91-Q93 VanDerWaalsContact C-N 3.28Å; Q91-Q93 PolarHBondContact O-N 2.95Å; Q93-E95 PolarHBondContact O-N 3.49Å; Q93-L96 PolarHBondContact O-N 3.24Å; Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 2.74Å; Q93-E97 WeakPolarHBondContact O-CG 3.48Å; Q93-E97 PolarHBondContact O-N 3.42Å
94E92Very high85.1Confident127 Ų127101 Ų10159%0.59352%0.52SS*.Hα-helixtrans-60.3-44177.3-173.2175.8-171.600111.4L90 Q91 L96 E97 T98L90-E94 WeakPolarHBondContact O-CB 3.36Å; L90-E94 PolarHBondContact O-N 3.43Å; Q91-E94 PolarHBondContact O-N 3.33Å; E94-L96 PolarHBondContact O-N 2.85Å; E94-E97 PolarHBondContact O-N 3.18Å; E94-T98 VanDerWaalsContact O-CG2 3.31Å; E94-T98 WeakPolarHBondContact O-CG2 3.42Å; E94-T98 PolarHBondContact O-N 2.87Å; E94-T98 PolarHBondContact O-OG1 3.28Å
95E94.8Very high87.1Confident110 Ų11099.9 Ų99.951%0.51451%0.509SS..Hα-helixtrans-56.4-47.9173.1-73.9173.1-178.600111.7Q91 Q93 E97 T98 M99Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 2.88Å; Q93-E95 PolarHBondContact O-N 3.49Å; E95-E97 PolarHBondContact O-N 3.45Å; E95-T98 PolarHBondContact O-N 2.84Å; E95-T98 PolarHBondContact O-OG1 2.9Å; E95-M99 WeakPolarHBondContact O-CB 3.26Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.24Å; E95-M99 PolarHBondContact O-N 2.75Å
96L95.1Very high88.9Confident90 Ų90101.6 Ų101.647%0.47151%0.511SS..Hα-helixtrans-64.5-40.1178.1-73.8171.4000112.1R92 Q93 E94 M99 C100R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.31Å; R92-L96 WeakPolarHBondContact O-CG 3.23Å; R92-L96 PolarHBondContact O-N 3.07Å; Q93-L96 PolarHBondContact O-N 3.24Å; E94-L96 PolarHBondContact O-N 2.85Å; L96-M99 PolarHBondContact O-N 2.84Å; L96-C100 WeakPolarHBondContact O-CB 3.4Å; L96-C100 PolarHBondContact O-N 3.48Å; L96-C100 PolarHBondContact O-SG 3.25Å; L96-C100 VanDerWaalsContact O-SG 3.36Å
97E95.9Very high90.4Very high103 Ų103102.6 Ų102.648%0.48151%0.512SS..Hα-helixtrans-62-44.7175.8-74.1175.6-16900111Q93 E94 E95 M99 C100 V101Q93-E97 HydrophobicContact CG-CG 4.45Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.38Å; Q93-E97 PolarHBondContact NE2-OE1 2.74Å; Q93-E97 WeakPolarHBondContact O-CG 3.48Å; Q93-E97 PolarHBondContact O-N 3.42Å; E94-E97 PolarHBondContact O-N 3.18Å; E95-E97 PolarHBondContact O-N 3.45Å; E97-M99 VanDerWaalsContact C-N 3.35Å; E97-M99 PolarHBondContact O-N 2.9Å; E97-C100 PolarHBondContact O-N 2.88Å; E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 2.87Å
98T96.4Very high91.8Very high69 Ų69102 Ų10242%0.42350%0.504SS..Hα-helixtrans-62.4-42175.864.20000111.8E94 E95 V101 Q102E94-T98 VanDerWaalsContact O-CG2 3.31Å; E94-T98 WeakPolarHBondContact O-CG2 3.42Å; E94-T98 PolarHBondContact O-N 2.87Å; E94-T98 PolarHBondContact O-OG1 3.28Å; E95-T98 PolarHBondContact O-N 2.84Å; E95-T98 PolarHBondContact O-OG1 2.9Å; T98-V101 PolarHBondContact O-N 3.38Å; T98-Q102 VanDerWaalsContact O-CG 3.31Å; T98-Q102 WeakPolarHBondContact O-CG 3.16Å; T98-Q102 PolarHBondContact O-N 2.94Å
99M97.2Very high92.9Very high95 Ų95103.2 Ų103.247%0.46850%0.5SS..Hα-helixtrans-64.8-42.5176.1-72.1-61.8-61.500112E95 L96 E97 V101 Q102 L103E95-M99 WeakPolarHBondContact O-CB 3.26Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.24Å; E95-M99 PolarHBondContact O-N 2.75Å; L96-M99 PolarHBondContact O-N 2.84Å; E97-M99 VanDerWaalsContact C-N 3.35Å; E97-M99 PolarHBondContact O-N 2.9Å; M99-V101 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.27Å; M99-Q102 PolarHBondContact O-N 3.4Å; M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 WeakPolarHBondContact O-CG 3.49Å; M99-L103 PolarHBondContact O-N 3.05Å
100C97.1Very high93.9Very high67 Ų67102.8 Ų102.845%0.45349%0.494SS..Hα-helixtrans-60.6-44.3175.4-79.10000111.3L96 E97 Q102 L103 Q104L96-C100 WeakPolarHBondContact O-CB 3.4Å; L96-C100 PolarHBondContact O-N 3.48Å; L96-C100 PolarHBondContact O-SG 3.25Å; L96-C100 VanDerWaalsContact O-SG 3.36Å; E97-C100 PolarHBondContact O-N 2.88Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-Q102 PolarHBondContact O-N 3.32Å; C100-L103 PolarHBondContact O-N 2.99Å; C100-Q104 WeakPolarHBondContact O-CB 3.42Å; C100-Q104 WeakPolarHBondContact O-CG 3.33Å; C100-Q104 PolarHBondContact O-N 3.06Å
101V97.1Very high94.5Very high89 Ų89102 Ų10254%0.53949%0.487SS..Hα-helixtrans-63.5-40.9176.7171.50000111.2E97 T98 M99 R105E97-V101 WeakPolarHBondContact O-CG2 3.26Å; E97-V101 PolarHBondContact O-N 2.87Å; T98-V101 PolarHBondContact O-N 3.38Å; M99-V101 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.27Å; V101-R105 WeakPolarHBondContact O-CB 3.49Å; V101-R105 PolarHBondContact O-N 3.45Å
102Q97.6Very high95.1Very high117 Ų117102.6 Ų102.655%0.54748%0.484SS..Hα-helixtrans-63-48.1176.3-74.1176.617.200111.9T98 M99 C100 R105 Q106T98-Q102 VanDerWaalsContact O-CG 3.31Å; T98-Q102 WeakPolarHBondContact O-CG 3.16Å; T98-Q102 PolarHBondContact O-N 2.94Å; M99-Q102 PolarHBondContact O-N 3.4Å; C100-Q102 VanDerWaalsContact C-N 3.34Å; C100-Q102 PolarHBondContact O-N 3.32Å; Q102-R105 WeakPolarHBondContact O-CB 3.29Å; Q102-R105 PolarHBondContact O-N 3.46Å; Q102-Q106 PolarHBondContact O-N 2.86Å
103L96.9Very high95.6Very high93 Ų93101 Ų10149%0.48748%0.482SS..Hα-helixtrans-63-43.8177.3-72.7171.4000111.5M99 C100 R105 Q106 V107M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 WeakPolarHBondContact O-CG 3.49Å; M99-L103 PolarHBondContact O-N 3.05Å; C100-L103 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 2.73Å; L103-Q106 WeakPolarHBondContact O-CB 3.24Å; L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; L103-V107 WeakPolarHBondContact O-CG2 3.21Å; L103-V107 PolarHBondContact O-N 3.12Å
104Q95.9Very high95.9Very high118 Ų11897.8 Ų97.855%0.55147%0.467SS*.Hα-helixtrans-61.6-35174.6-75.2175.15.200112.3C100 R108C100-Q104 WeakPolarHBondContact O-CB 3.42Å; C100-Q104 WeakPolarHBondContact O-CG 3.33Å; C100-Q104 PolarHBondContact O-N 3.06Å; Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.33Å; Q104-R108 PolarHBondContact O-N 2.78Å; Q104-R108 VanDerWaalsContact O-N 3.09Å; Q104-R108 PolarHBondContact O-NE 3.38Å
105R97Very high96Very high148 Ų14895.1 Ų95.156%0.55846%0.462SS*.Hα-helixtrans-66.3-45.4172.7-178.9-178165.7-139.8-11.8110.9V101 Q102 L103 R108 E109V101-R105 WeakPolarHBondContact O-CB 3.49Å; V101-R105 PolarHBondContact O-N 3.45Å; Q102-R105 WeakPolarHBondContact O-CB 3.29Å; Q102-R105 PolarHBondContact O-N 3.46Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 2.73Å; R105-R108 PolarHBondContact O-N 3.34Å; R105-E109 IonicContact CZ-OE1 2.77Å; R105-E109 IonicContact NE-OE1 2.62Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 IonicContact NH2-OE1 2.8Å; R105-E109 PolarHBondContact NH2-OE1 2.95Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 2.84Å
106Q97.5Very high96.1Very high105 Ų10596 Ų9649%0.49147%0.471SS..Hα-helixtrans-61.1-47178-175.2-177.6-3.300111.6Q102 L103 R108 E109 M110Q102-Q106 PolarHBondContact O-N 2.86Å; L103-Q106 WeakPolarHBondContact O-CB 3.24Å; L103-Q106 PolarHBondContact O-N 3.31Å; L103-Q106 VanDerWaalsContact O-N 3.12Å; Q106-R108 VanDerWaalsContact C-N 3.33Å; Q106-R108 PolarHBondContact O-N 3.4Å; Q106-E109 WeakPolarHBondContact O-CB 3.48Å; Q106-E109 PolarHBondContact O-N 3.41Å; Q106-E109 VanDerWaalsContact O-N 3.09Å; Q106-M110 HydrophobicContact CG-SD 4.19Å; Q106-M110 WeakPolarHBondContact O-CG 3.34Å; Q106-M110 PolarHBondContact O-N 2.88Å
107V95.2Very high96.1Very high65 Ų6599.3 Ų99.339%0.39448%0.478SS..Hα-helixtrans-59.4-44.8176.8172.30000110.6L103 E109 M110 E111L103-V107 WeakPolarHBondContact O-CG2 3.21Å; L103-V107 PolarHBondContact O-N 3.12Å; V107-E109 VanDerWaalsContact C-N 3.3Å; V107-E109 PolarHBondContact O-N 3.12Å; V107-M110 CarbonylContact O-C 3.58Å; V107-M110 WeakPolarHBondContact O-CB 3.32Å; V107-M110 PolarHBondContact O-N 3.07Å; V107-M110 VanDerWaalsContact O-N 3.14Å; V107-E111 HydrophobicContact CG1-CG 4.24Å; V107-E111 WeakPolarHBondContact CG1-OE1 3.44Å; V107-E111 WeakPolarHBondContact O-CB 3.38Å; V107-E111 WeakPolarHBondContact O-CG 3.35Å; V107-E111 PolarHBondContact O-N 2.93Å
108R95Very high95.9Very high126 Ų12698 Ų9848%0.47549%0.492SS..Hα-helixtrans-62.3-35.4174.9-76.1-177.5-64.6167.7-2.1113.3Q104 R105 Q106 R112Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.33Å; Q104-R108 PolarHBondContact O-N 2.78Å; Q104-R108 VanDerWaalsContact O-N 3.09Å; Q104-R108 PolarHBondContact O-NE 3.38Å; R105-R108 PolarHBondContact O-N 3.34Å; Q106-R108 VanDerWaalsContact C-N 3.33Å; Q106-R108 PolarHBondContact O-N 3.4Å; R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 WeakPolarHBondContact O-CG 3.3Å; R108-R112 PolarHBondContact O-N 2.78Å
109E96.9Very high95.7Very high78 Ų7899.5 Ų99.536%0.36450%0.497SS..Hα-helixtrans-66.9-42.1174.1-75.3172.5-171.900111.1R105 Q106 V107 R112 F113R105-E109 IonicContact CZ-OE1 2.77Å; R105-E109 IonicContact NE-OE1 2.62Å; R105-E109 PolarHBondContact NE-OE1 3.47Å; R105-E109 IonicContact NH2-OE1 2.8Å; R105-E109 PolarHBondContact NH2-OE1 2.95Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 2.84Å; Q106-E109 WeakPolarHBondContact O-CB 3.48Å; Q106-E109 PolarHBondContact O-N 3.41Å; Q106-E109 VanDerWaalsContact O-N 3.09Å; V107-E109 VanDerWaalsContact C-N 3.3Å; V107-E109 PolarHBondContact O-N 3.12Å; E109-R112 PolarHBondContact O-N 2.68Å; E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 3.02Å
110M94.9Very high95.3Very high73 Ų73103.1 Ų103.136%0.3651%0.513SS..Hα-helixtrans-64.3-43.5174.5-67.7173.260.800112.2Q106 V107 F113 L114 W121Q106-M110 HydrophobicContact CG-SD 4.19Å; Q106-M110 WeakPolarHBondContact O-CG 3.34Å; Q106-M110 PolarHBondContact O-N 2.88Å; V107-M110 CarbonylContact O-C 3.58Å; V107-M110 WeakPolarHBondContact O-CB 3.32Å; V107-M110 PolarHBondContact O-N 3.07Å; V107-M110 VanDerWaalsContact O-N 3.14Å; M110-F113 WeakPolarHBondContact O-CB 3.48Å; M110-F113 PolarHBondContact O-N 3.47Å; M110-L114 WeakPolarHBondContact O-CG 3.25Å; M110-L114 PolarHBondContact O-N 3.35Å; M110-W121 HydrophobicContact CE-CE3 4.23Å; M110-W121 HydrophobicContact CE-CH2 3.99Å; M110-W121 HydrophobicContact CE-CZ3 3.6Å
111E93.4Very high94.8Very high91 Ų91106.8 Ų106.843%0.42552%0.517SS..Hα-helixtrans-63-43.8177-74.5172.5173.400111.8V107 L114 S115V107-E111 HydrophobicContact CG1-CG 4.24Å; V107-E111 WeakPolarHBondContact CG1-OE1 3.44Å; V107-E111 WeakPolarHBondContact O-CB 3.38Å; V107-E111 WeakPolarHBondContact O-CG 3.35Å; V107-E111 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.17Å; E111-S115 WeakPolarHBondContact O-CB 3.46Å; E111-S115 PolarHBondContact O-N 3.29Å
112R95.4Very high94.2Very high137 Ų137108.8 Ų108.852%0.51753%0.529SS..Hα-helixtrans-61.2-47.7174.5-78.2-172.9-63.6-129.91.5111.4R108 E109 L114 S115 D116R108-R112 WeakPolarHBondContact O-CB 3.44Å; R108-R112 WeakPolarHBondContact O-CG 3.3Å; R108-R112 PolarHBondContact O-N 2.78Å; E109-R112 PolarHBondContact O-N 2.68Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.49Å; R112-S115 WeakPolarHBondContact CA-OG 3.43Å; R112-S115 PolarHBondContact O-N 2.98Å; R112-S115 VanDerWaalsContact O-N 3.09Å; R112-S115 PolarHBondContact O-OG 2.79Å; R112-D116 PolarHBondContact O-N 3.3Å
113F96.9Very high93.3Very high119 Ų119105.2 Ų105.252%0.52252%0.524SS..Hα-helixtrans-55.3-45.9176.6176.3-94000111.3E109 M110 D116 Y117E109-F113 WeakPolarHBondContact O-CB 3.49Å; E109-F113 PolarHBondContact O-N 3.02Å; M110-F113 WeakPolarHBondContact O-CB 3.48Å; M110-F113 PolarHBondContact O-N 3.47Å; F113-D116 PolarHBondContact O-N 3.42Å; F113-Y117 HydrophobicContact CD2-CE2 4.19Å; F113-Y117 HydrophobicContact CE1-CD2 4.33Å; F113-Y117 HydrophobicContact CE1-CE2 4.08Å; F113-Y117 AromaticContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CZ-CD2 4.32Å; F113-Y117 AromaticContact CZ-CE2 3.62Å; F113-Y117 HydrophobicContact CZ-CE2 3.62Å; F113-Y117 WeakPolarHBondContact O-CD2 3.4Å
114L96.3Very high92.4Very high33 Ų33107.5 Ų107.517%0.17353%0.532CS..Hα-helixtrans-64.6-41177.1-70.8174.1000112.1M110 E111 R112 D116 Y117 G118 L119 W121M110-L114 WeakPolarHBondContact O-CG 3.25Å; M110-L114 PolarHBondContact O-N 3.35Å; E111-L114 PolarHBondContact O-N 3.17Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.46Å; L114-Y117 CarbonylContact O-C 3.59Å; L114-Y117 PolarHBondContact O-N 3.04Å; L114-G118 PolarHBondContact O-N 3.17Å; L114-L119 CarbonylContact C-O 3.58Å; L114-L119 HydrophobicContact CB-CB 3.94Å; L114-L119 WeakPolarHBondContact CB-O 3.34Å; L114-L119 HydrophobicContact CD2-CB 3.91Å; L114-L119 HydrophobicContact CD2-CD1 3.91Å; L114-L119 HydrophobicContact CG-CB 4.48Å; L114-L119 WeakPolarHBondContact O-CB 3.44Å; L114-L119 PolarHBondContact O-N 3.44Å; L114-W121 HydrophobicContact CD1-CB 3.92Å; L114-W121 HydrophobicContact CD1-CE3 3.88Å
115S93.7Very high90.9Very high71 Ų71105.6 Ų105.650%0.49753%0.53SS..Hα-helixtrans-62.4-33179.775.90000113.1E111 R112 Y117 G118 L119E111-S115 WeakPolarHBondContact O-CB 3.46Å; E111-S115 PolarHBondContact O-N 3.29Å; R112-S115 WeakPolarHBondContact CA-OG 3.43Å; R112-S115 PolarHBondContact O-N 2.98Å; R112-S115 VanDerWaalsContact O-N 3.09Å; R112-S115 PolarHBondContact O-OG 2.79Å; S115-Y117 PolarHBondContact O-N 3.4Å; S115-G118 PolarHBondContact O-N 3.15Å; S115-L119 PolarHBondContact N-O 3.02Å
116D97.1Very high89.1Confident130 Ų130106.8 Ų106.870%0.69554%0.544SS*.Hα-helixtrans-61.9-25176.2-65.4-24000111.9R112 F113 L114R112-D116 PolarHBondContact O-N 3.3Å; F113-D116 PolarHBondContact O-N 3.42Å; L114-D116 VanDerWaalsContact C-N 3.26Å; L114-D116 PolarHBondContact O-N 3.46Å
117Y94.4Very high87.3Confident159 Ų159109 Ų10962%0.62456%0.559SS**THydrogen-bonded Turntrans-101.87.7174.6-62.3-81.8000113.4F113 L114 S115 L119F113-Y117 HydrophobicContact CD2-CE2 4.19Å; F113-Y117 HydrophobicContact CE1-CD2 4.33Å; F113-Y117 HydrophobicContact CE1-CE2 4.08Å; F113-Y117 AromaticContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CE2-CE2 3.69Å; F113-Y117 HydrophobicContact CZ-CD2 4.32Å; F113-Y117 AromaticContact CZ-CE2 3.62Å; F113-Y117 HydrophobicContact CZ-CE2 3.62Å; F113-Y117 WeakPolarHBondContact O-CD2 3.4Å; L114-Y117 CarbonylContact O-C 3.59Å; L114-Y117 PolarHBondContact O-N 3.04Å; S115-Y117 PolarHBondContact O-N 3.4Å; Y117-L119 PolarHBondContact O-N 3.46Å
118G92.8Very high85.2Confident74 Ų74112.3 Ų112.376%0.76357%0.57SS**THydrogen-bonded Turntrans69.817.7-175.900000114.3L114 S115L114-G118 PolarHBondContact O-N 3.17Å; S115-G118 PolarHBondContact O-N 3.15Å
119L91.9Very high83Confident102 Ų102113.4 Ų113.453%0.53458%0.58SS.*  trans-94.1146.4176.4-60.4173.2000110.1L114 S115 Y117L114-L119 CarbonylContact C-O 3.58Å; L114-L119 HydrophobicContact CB-CB 3.94Å; L114-L119 WeakPolarHBondContact CB-O 3.34Å; L114-L119 HydrophobicContact CD2-CB 3.91Å; L114-L119 HydrophobicContact CD2-CD1 3.91Å; L114-L119 HydrophobicContact CG-CB 4.48Å; L114-L119 WeakPolarHBondContact O-CB 3.44Å; L114-L119 PolarHBondContact O-N 3.44Å; S115-L119 PolarHBondContact N-O 3.02Å; Y117-L119 PolarHBondContact O-N 3.46Å
120Q89Confident80.8Confident170 Ų170117.3 Ų117.379%0.79460%0.604SS**  trans-121.3133.8175.5-175.2174.73.300110.1V122Q120-V122 PolarHBondContact O-N 3.33Å
121W85.5Confident78.6Confident145 Ų145118.4 Ų118.455%0.54962%0.619SS.*  trans-76114.1169.9-173.1-80.4000109.3M110 L114M110-W121 HydrophobicContact CE-CE3 4.23Å; M110-W121 HydrophobicContact CE-CH2 3.99Å; M110-W121 HydrophobicContact CE-CZ3 3.6Å; L114-W121 HydrophobicContact CD1-CB 3.92Å; L114-W121 HydrophobicContact CD1-CE3 3.88Å
122V84.5Confident76.4Confident130 Ų130123.4 Ų123.479%0.78864%0.642SS**  trans-94.9-17.5179.3-1770000111.9Q120Q120-V122 PolarHBondContact O-N 3.33Å
123G80.1Confident73.7Confident42 Ų42121.8 Ų121.843%0.43365%0.652SS.*  trans65178.2-174.700000113
124E77.3Confident71.1Confident141 Ų141125.4 Ų125.466%0.65967%0.668SS**  trans-96.8131.2169.4-172.1159.8-158.700108.4M126E124-M126 PolarHBondContact O-N 2.91Å
125P64.4Low68.1Low78 Ų78129.8 Ų129.851%0.50670%0.696SS.*  trans-63.3125173.924.6-31000109.2D127 Q128P125-D127 PolarHBondContact O-N 2.62Å; P125-Q128 PolarHBondContact O-N 3.04Å
126M58.1Low66Low174 Ų174133.1 Ų133.186%0.85771%0.713SS**G310 helixtrans-55.4-21.4-179.4-90.3-162.3178.900113.9E124 Q128E124-M126 PolarHBondContact O-N 2.91Å; M126-Q128 PolarHBondContact O-N 3.47Å
127D60.6Low63.5Low150 Ų150132.2 Ų132.280%0.80272%0.716SS**G310 helixtrans-76.2-1-174.6-54.1-39.3000113.8P125P125-D127 PolarHBondContact O-N 2.62Å
128Q51.8Low61.3Low136 Ų136133.1 Ų133.164%0.63673%0.726SS**G310 helixtrans-99.9-8.3-173.3-161.296.774.200114.2P125 M126P125-Q128 PolarHBondContact O-N 3.04Å; M126-Q128 PolarHBondContact O-N 3.47Å
129E49.1Very low58.9Low148 Ų148139.2 Ų139.269%0.69274%0.735SS**SBendtrans-86.3-17.6-175.5-64.4-166.1159.600114
130D49.6Very low56.4Low160 Ų160137.5 Ų137.586%0.85674%0.742SS**SBendtrans-94.5-0.4-173.3-81.7-23.2000115.1
131S48.5Very low54.4Low97 Ų97138.6 Ų138.668%0.67875%0.747SS**  trans-114.150.1-175.3-68.30000113.6S133S131-S133 PolarHBondContact O-N 3.05Å
132E47.6Very low52.4Low195 Ų195142.6 Ų142.691%0.91176%0.762SS**  trans-7767.4159.6-66.3-155.3151.900111
133S39.4Very low50.4Low103 Ų103140.1 Ų140.172%0.7274%0.744SS**  trans-15092.7157.763.10000112.2S131S131-S133 PolarHBondContact O-N 3.05Å
134K41.8Very low49.1Very low196 Ų196145.7 Ų145.785%0.85275%0.752SS**  trans43.8102.7131.7-165.7175.4-172.11760116.4
135T33.8Very low47.5Very low124 Ų124144.2 Ų144.276%0.76175%0.747SS**  -158.9128.9112.240.70000110.2S137T135-S137 PolarHBondContact O-N 3.29Å; T135-S137 VanDerWaalsContact O-N 3.1Å
136V48.6Very low46.9Very low142 Ų142145.9 Ų145.986%0.86176%0.755SS**  trans-64103.4162.2175.90000106.4
137S44.7Very low46.4Very low110 Ų110140.6 Ų140.677%0.76974%0.74SS**  trans-95.3107.6160.7-86.40000108.1T135T135-S137 PolarHBondContact O-N 3.29Å; T135-S137 VanDerWaalsContact O-N 3.1Å
138E49Very low46Very low178 Ų178138.9 Ų138.983%0.83273%0.725SS**  trans-65.2137159.9-76.8-175.3136.800109.3
139H41.2Very low46.3Very low202 Ų202141 Ų14194%0.93573%0.732SS**  trans83.896.5156.5-135.669000118.3
140G40.4Very low46.5Very low67 Ų67141 Ų14169%0.69173%0.73SS**SBendtrans162.596.3161.400000109.8
141E45.9Very low46.6Very low193 Ų193142.9 Ų142.990%0.90273%0.725SS**  trans39.680.9167.8-66.4-179.7164.300115D143E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 3.49Å
142R45.3Very low47.2Very low229 Ų229144.2 Ų144.286%0.86472%0.719SS**  trans-57.997.4163.9-86-178.1-83.1-154.3-6.6108W144R142-W144 PolarHBondContact O-N 3.43Å
143D42.6Very low47.4Very low77 Ų77139.7 Ų139.741%0.41271%0.706SS.*  trans-49.7110.5163.2-172.47.6000106.9E141 M145 T146 A147E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 3.49Å; D143-M145 PolarHBondContact O-N 3.38Å; D143-M145 PolarHBondContact OD1-N 2.84Å; D143-T146 PolarHBondContact O-N 3.03Å; D143-T146 PolarHBondContact O-OG1 2.97Å; D143-T146 VanDerWaalsContact O-OG1 3.06Å; D143-A147 PolarHBondContact O-N 3.29Å
144W51.7Low48.2Very low160 Ų160138.5 Ų138.561%0.60671%0.71SS**Hα-helixtrans-56.4-17.3-177.966.1-84.3000111.5R142R142-W144 PolarHBondContact O-N 3.43Å
145M44.3Very low49Very low110 Ų110135.4 Ų135.454%0.54270%0.703SS.*Hα-helixtrans-73-29.8174.9-63.5-156.6-126.200114.4D143D143-M145 PolarHBondContact O-N 3.38Å; D143-M145 PolarHBondContact OD1-N 2.84Å
146T52Low50Low112 Ų112132.9 Ų132.969%0.68769%0.69SS**Hα-helixtrans-92.7-21.5176.845.40000113D143 K148D143-T146 PolarHBondContact O-N 3.03Å; D143-T146 PolarHBondContact O-OG1 2.97Å; D143-T146 VanDerWaalsContact O-OG1 3.06Å; T146-K148 VanDerWaalsContact C-N 3.26Å; T146-K148 PolarHBondContact O-N 3.37Å
147A47.4Very low50.6Low64 Ų64133.7 Ų133.753%0.52969%0.689SS.*Hα-helixtrans-72.4-19.8176.600000113.2D143 K149D143-A147 PolarHBondContact O-N 3.29Å; A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 2.99Å
148K51.9Low51.2Low113 Ų113132.8 Ų132.849%0.49169%0.689SS.*  trans-79.489.6168.6-73.9-176.5179.9179.10108T146 F150T146-K148 VanDerWaalsContact C-N 3.26Å; T146-K148 PolarHBondContact O-N 3.37Å; K148-F150 HydrophobicContact CB-CD1 4.1Å; K148-F150 HydrophobicContact CB-CD2 3.42Å; K148-F150 VanDerWaalsContact CB-CD2 3.42Å; K148-F150 HydrophobicContact CB-CE1 3.98Å; K148-F150 HydrophobicContact CB-CE2 3.25Å; K148-F150 HydrophobicContact CB-CG 3.85Å; K148-F150 HydrophobicContact CB-CZ 3.57Å; K148-F150 HydrophobicContact CD-CD1 4.16Å; K148-F150 HydrophobicContact CD-CE1 3.41Å; K148-F150 VanDerWaalsContact CD-CE1 3.41Å; K148-F150 HydrophobicContact CD-CE2 3.93Å; K148-F150 HydrophobicContact CD-CZ 3.27Å; K148-F150 HydrophobicContact CG-CE1 4.31Å; K148-F150 HydrophobicContact CG-CE2 4.21Å; K148-F150 HydrophobicContact CG-CZ 4.05Å; K148-F150 WeakPolarHBondContact O-CD2 3.37Å; K148-F150 PolarHBondContact O-N 2.97Å
149K58.1Low51.8Low180 Ų180129.4 Ų129.478%0.78368%0.682SS**  trans-54.480.3143.5-59.6-176.8-179.2-173.40106.2A147 W151A147-K149 VanDerWaalsContact C-N 3.3Å; A147-K149 PolarHBondContact O-N 2.99Å; K149-W151 VanDerWaalsContact C-N 3.26Å; K149-W151 PolarHBondContact O-N 2.96Å
150F53.6Low53Low148 Ų148125.3 Ų125.365%0.64967%0.673SS**  trans-65.294.1-177-79.6-85.3000106.8K148K148-F150 HydrophobicContact CB-CD1 4.1Å; K148-F150 HydrophobicContact CB-CD2 3.42Å; K148-F150 VanDerWaalsContact CB-CD2 3.42Å; K148-F150 HydrophobicContact CB-CE1 3.98Å; K148-F150 HydrophobicContact CB-CE2 3.25Å; K148-F150 HydrophobicContact CB-CG 3.85Å; K148-F150 HydrophobicContact CB-CZ 3.57Å; K148-F150 HydrophobicContact CD-CD1 4.16Å; K148-F150 HydrophobicContact CD-CE1 3.41Å; K148-F150 VanDerWaalsContact CD-CE1 3.41Å; K148-F150 HydrophobicContact CD-CE2 3.93Å; K148-F150 HydrophobicContact CD-CZ 3.27Å; K148-F150 HydrophobicContact CG-CE1 4.31Å; K148-F150 HydrophobicContact CG-CE2 4.21Å; K148-F150 HydrophobicContact CG-CZ 4.05Å; K148-F150 WeakPolarHBondContact O-CD2 3.37Å; K148-F150 PolarHBondContact O-N 2.97Å
151W51.3Low54.6Low200 Ų200130.8 Ų130.876%0.75868%0.681SS**  trans63.2112.3167.9-158.132.5000115.4K149 P153K149-W151 VanDerWaalsContact C-N 3.26Å; K149-W151 PolarHBondContact O-N 2.96Å; W151-P153 HydrophobicContact CD2-CG 4.45Å; W151-P153 WeakPolarHBondContact O-CD 3.45Å
152K59.9Low56.1Low126 Ų126125 Ų12555%0.54866%0.659SS.*  trans-105.3103.9162.9-65.5-62.2-178.3-1760106.9G154 D155 S156K152-G154 PolarHBondContact O-N 3.28Å; K152-G154 VanDerWaalsContact O-N 3.11Å; K152-D155 HydrophobicContact CB-CB 4.02Å; K152-D155 PolarHBondContact O-N 3.26Å; K152-D155 VanDerWaalsContact O-N 3.1Å; K152-S156 PolarHBondContact O-N 3.4Å; K152-S156 PolarHBondContact O-OG 2.69Å
153P52.5Low58Low99 Ų99118.4 Ų118.464%0.64364%0.641SS**THydrogen-bonded Turntrans-56.5-28.1-179.4-27.535.3000113.2W151W151-P153 HydrophobicContact CD2-CG 4.45Å; W151-P153 WeakPolarHBondContact O-CD 3.45Å
154G56.9Low60Low78 Ų78117.2 Ų117.280%0.80463%0.632SS**THydrogen-bonded Turntrans-80.8-19.9178.300000116.2K152K152-G154 PolarHBondContact O-N 3.28Å; K152-G154 VanDerWaalsContact O-N 3.11Å
155D58.3Low61.8Low132 Ų132115.7 Ų115.771%0.70664%0.635SS**THydrogen-bonded Turntrans-104.31.3-179.6-65.5-30000112.7K152 L157K152-D155 HydrophobicContact CB-CB 4.02Å; K152-D155 PolarHBondContact O-N 3.26Å; K152-D155 VanDerWaalsContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.73Å
156S54.5Low63.9Low70 Ų70119.6 Ų119.649%0.4964%0.644SS.*  trans-7782.7179.7-59.50000109.4K152K152-S156 PolarHBondContact O-N 3.4Å; K152-S156 PolarHBondContact O-OG 2.69Å
157L61Low65.7Low160 Ų160117.4 Ų117.484%0.83863%0.628SS**PPolyproline II helixtrans-60.4145.5166.6-64.3177.4000109.3D155D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 2.73Å
158A57.2Low67.6Low91 Ų91117.9 Ų117.975%0.75262%0.621SS**PPolyproline II helixtrans-46.7133.617700000109.7
159P61.9Low69.4Low107 Ų107114.6 Ų114.670%0.69562%0.615SS**PPolyproline II helixtrans-51.6142.5-178.1-25.232.5000110.5
160P67.2Low70.9Confident115 Ų115108.6 Ų108.675%0.74760%0.596SS**PPolyproline II helixtrans-49146.2167.5-20.830.2000109.5V162P160-V162 PolarHBondContact O-N 3.25Å
161E72.9Confident72.6Confident182 Ų182105 Ų10585%0.8558%0.583SS**  trans-47.3112.8172.8-71.4-176.2168.400108.9D163E161-D163 PolarHBondContact O-N 3.04Å
162V77.6Confident74.2Confident73 Ų73101.3 Ų101.344%0.44257%0.574SS.*  trans-73.3115-178.1179.30000106.8P160 F164 L167P160-V162 PolarHBondContact O-N 3.25Å; V162-F164 HydrophobicContact CB-CE2 4.49Å; V162-F164 HydrophobicContact CB-CZ 4.46Å; V162-F164 WeakPolarHBondContact O-CD2 3.39Å; V162-F164 WeakPolarHBondContact O-CE2 3.33Å; V162-F164 PolarHBondContact O-N 3.27Å; V162-F164 VanDerWaalsContact O-N 3.08Å; V162-L167 HydrophobicContact CG1-CD1 4.08Å
163D85.1Confident75.6Confident90 Ų9099.8 Ų99.848%0.48157%0.572SS.*  trans-73.497.4170.3-176-10.7000108.8E161 D165 R166 L167E161-D163 PolarHBondContact O-N 3.04Å; D163-D165 PolarHBondContact O-N 2.89Å; D163-D165 WeakPolarHBondContact OD1-CB 3.39Å; D163-D165 PolarHBondContact OD1-N 3.42Å; D163-R166 HydrophobicContact CB-CB 3.99Å; D163-R166 PolarHBondContact O-N 2.92Å; D163-R166 PolarHBondContact OD1-N 3.47Å; D163-R166 VanDerWaalsContact OD1-N 3.13Å; D163-L167 PolarHBondContact O-N 3.39Å
164F85.7Confident77.2Confident52 Ų52100.4 Ų100.423%0.22857%0.569CS.*Hα-helixtrans-64.1-29.3-179.8-66.2-84.1000112.2V162 L167 L168 L204 R206V162-F164 HydrophobicContact CB-CE2 4.49Å; V162-F164 HydrophobicContact CB-CZ 4.46Å; V162-F164 WeakPolarHBondContact O-CD2 3.39Å; V162-F164 WeakPolarHBondContact O-CE2 3.33Å; V162-F164 PolarHBondContact O-N 3.27Å; V162-F164 VanDerWaalsContact O-N 3.08Å; F164-L167 PolarHBondContact O-N 3.41Å; F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 VanDerWaalsContact O-CG 3.29Å; F164-L168 WeakPolarHBondContact O-CG 3.35Å; F164-L168 PolarHBondContact O-N 2.92Å; F164-L204 HydrophobicContact CD1-CB 4.16Å; F164-L204 HydrophobicContact CD1-CD1 4.13Å; F164-L204 HydrophobicContact CE1-CB 4.39Å; F164-R206 HydrophobicContact CE2-CB 3.9Å; F164-R206 HydrophobicContact CE2-CG 3.79Å; F164-R206 HydrophobicContact CZ-CB 3.93Å; F164-R206 HydrophobicContact CZ-CG 4.18Å
165D87.6Confident78.4Confident127 Ų127100.4 Ų100.468%0.67956%0.557SS**Hα-helixtrans-71-44.1179.7-63.2-27000109.7D163 L167 L168 A169D163-D165 PolarHBondContact O-N 2.89Å; D163-D165 WeakPolarHBondContact OD1-CB 3.39Å; D163-D165 PolarHBondContact OD1-N 3.42Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.95Å; D165-L168 PolarHBondContact O-N 3.41Å; D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 2.91Å
166R90.1Very high79.6Confident193 Ų193101 Ų10173%0.72856%0.555SS**Hα-helixtrans-63-39.1172.9-175.3177.3177.8-170.3-0.8112.3D163 A169 S170D163-R166 HydrophobicContact CB-CB 3.99Å; D163-R166 PolarHBondContact O-N 2.92Å; D163-R166 PolarHBondContact OD1-N 3.47Å; D163-R166 VanDerWaalsContact OD1-N 3.13Å; R166-A169 PolarHBondContact O-N 3.21Å; R166-S170 WeakPolarHBondContact O-CB 3.47Å; R166-S170 PolarHBondContact O-N 3.24Å; R166-S170 PolarHBondContact O-OG 2.85Å
167L88.8Confident80.7Confident66 Ų66104.3 Ų104.335%0.34657%0.567SS.*Hα-helixtrans-63.4-47.5177.3-171.9152.2000110.8V162 D163 F164 D165 S170 L171 L204V162-L167 HydrophobicContact CG1-CD1 4.08Å; D163-L167 PolarHBondContact O-N 3.39Å; F164-L167 PolarHBondContact O-N 3.41Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 2.95Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 PolarHBondContact O-OG 3.04Å; L167-L171 WeakPolarHBondContact O-CB 3.26Å; L167-L171 PolarHBondContact O-N 2.86Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å
168L88.4Confident81.2Confident73 Ų73101.3 Ų101.338%0.38256%0.555SS.*Hα-helixtrans-63-41.4177-74.3171.3000112.1F164 D165 L171 Q172 L204F164-L168 WeakPolarHBondContact O-CB 3.38Å; F164-L168 VanDerWaalsContact O-CG 3.29Å; F164-L168 WeakPolarHBondContact O-CG 3.35Å; F164-L168 PolarHBondContact O-N 2.92Å; D165-L168 PolarHBondContact O-N 3.41Å; L168-L171 PolarHBondContact O-N 3.28Å; L168-Q172 WeakPolarHBondContact O-CG 3.25Å; L168-Q172 PolarHBondContact O-N 3.29Å; L168-L204 HydrophobicContact CD1-CD1 4.32Å; L168-L204 HydrophobicContact CD2-CD1 3.71Å; L168-L204 HydrophobicContact CG-CD1 3.87Å
169A89.8Confident81.3Confident44 Ų44102.9 Ų102.936%0.36456%0.555SS.*Hα-helixtrans-61-48.117500000111.5D165 R166 L171 Q172 D173D165-A169 WeakPolarHBondContact O-CB 3.4Å; D165-A169 PolarHBondContact O-N 2.91Å; R166-A169 PolarHBondContact O-N 3.21Å; A169-L171 VanDerWaalsContact C-N 3.27Å; A169-L171 PolarHBondContact O-N 2.88Å; A169-Q172 WeakPolarHBondContact O-CB 3.49Å; A169-Q172 PolarHBondContact O-N 3.4Å; A169-Q172 VanDerWaalsContact O-N 3.13Å; A169-D173 VanDerWaalsContact O-CG 3.26Å; A169-D173 PolarHBondContact O-N 3.34Å
170S89.5Confident81.3Confident55 Ų55106.3 Ų106.339%0.38556%0.562SS.*Hα-helixtrans-62.8-33.7177.669.80000113.1R166 L167 L174R166-S170 WeakPolarHBondContact O-CB 3.47Å; R166-S170 PolarHBondContact O-N 3.24Å; R166-S170 PolarHBondContact O-OG 2.85Å; L167-S170 PolarHBondContact O-N 2.91Å; L167-S170 PolarHBondContact O-OG 3.04Å; S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 VanDerWaalsContact O-CG 3.23Å; S170-L174 WeakPolarHBondContact O-CG 3.45Å; S170-L174 PolarHBondContact O-N 3.27Å
171L88.9Confident81.1Confident73 Ų73103.1 Ų103.138%0.38255%0.55SS..Hα-helixtrans-70.5-37.1176.5-174.3140.2000111.3L167 L168 A169 S175 L202L167-L171 WeakPolarHBondContact O-CB 3.26Å; L167-L171 PolarHBondContact O-N 2.86Å; L168-L171 PolarHBondContact O-N 3.28Å; A169-L171 VanDerWaalsContact C-N 3.27Å; A169-L171 PolarHBondContact O-N 2.88Å; L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 3.37Å; L171-L202 HydrophobicContact CD1-CD1 3.74Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å
172Q85.3Confident80.7Confident121 Ų121101 Ų10157%0.56554%0.544SS*.Hα-helixtrans-66-46.9173.2-73.2173.811.200111.3L168 A169 L174 S175 E176L168-Q172 WeakPolarHBondContact O-CG 3.25Å; L168-Q172 PolarHBondContact O-N 3.29Å; A169-Q172 WeakPolarHBondContact O-CB 3.49Å; A169-Q172 PolarHBondContact O-N 3.4Å; A169-Q172 VanDerWaalsContact O-N 3.13Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.92Å; Q172-S175 WeakPolarHBondContact CA-OG 3.34Å; Q172-S175 CarbonylContact O-C 3.15Å; Q172-S175 WeakPolarHBondContact O-CA 3.41Å; Q172-S175 PolarHBondContact O-N 2.93Å; Q172-S175 PolarHBondContact O-OG 3.17Å; Q172-E176 PolarHBondContact O-N 3.22Å
173D89.2Confident80.4Confident95 Ų95101.4 Ų101.451%0.50855%0.547SS..Hα-helixtrans-57.2-44.2176.5-64.6-18.3000111A169 E176 L177A169-D173 VanDerWaalsContact O-CG 3.26Å; A169-D173 PolarHBondContact O-N 3.34Å; D173-E176 PolarHBondContact O-N 3.16Å; D173-L177 VanDerWaalsContact O-CG 3.25Å; D173-L177 WeakPolarHBondContact O-CG 3.09Å; D173-L177 PolarHBondContact O-N 2.79Å
174L85.6Confident79.8Confident112 Ų112102.4 Ų102.459%0.58655%0.549SS*.Hα-helixtrans-64.8-39.1175.3-72.3173000112.3S170 Q172 E176 L177 V178S170-L174 WeakPolarHBondContact O-CB 3.32Å; S170-L174 VanDerWaalsContact O-CG 3.23Å; S170-L174 WeakPolarHBondContact O-CG 3.45Å; S170-L174 PolarHBondContact O-N 3.27Å; Q172-L174 VanDerWaalsContact C-N 3.29Å; Q172-L174 PolarHBondContact O-N 2.92Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.45Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.47Å; L174-V178 VanDerWaalsContact O-CG2 3.3Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 2.81Å
175S81.4Confident79.5Confident77 Ų77104 Ų10454%0.53856%0.563SS.*Hα-helixtrans-66.8-33.9176.174.60000112.6L171 Q172 V178L171-S175 WeakPolarHBondContact O-CB 3.39Å; L171-S175 PolarHBondContact O-N 3.37Å; Q172-S175 WeakPolarHBondContact CA-OG 3.34Å; Q172-S175 CarbonylContact O-C 3.15Å; Q172-S175 WeakPolarHBondContact O-CA 3.41Å; Q172-S175 PolarHBondContact O-N 2.93Å; Q172-S175 PolarHBondContact O-OG 3.17Å; S175-V178 PolarHBondContact O-N 2.83Å
176E83.2Confident79.2Confident144 Ų14499.6 Ų99.667%0.67354%0.54SS*.Hα-helixtrans-72.6-38.3175.3-173.4174.3-176.800110.8Q172 D173 L174 V178 V179Q172-E176 PolarHBondContact O-N 3.22Å; D173-E176 PolarHBondContact O-N 3.16Å; L174-E176 VanDerWaalsContact C-N 3.31Å; L174-E176 PolarHBondContact O-N 3.45Å; E176-V178 PolarHBondContact O-N 3.35Å; E176-V179 WeakPolarHBondContact O-CG2 3.32Å; E176-V179 PolarHBondContact O-N 3.48Å
177L79.2Confident78.6Confident141 Ų14196.1 Ų96.174%0.73854%0.543SS*.Hα-helixtrans-64.2-23.5175-70.7171.6000113D173 L174 V179D173-L177 VanDerWaalsContact O-CG 3.25Å; D173-L177 WeakPolarHBondContact O-CG 3.09Å; D173-L177 PolarHBondContact O-N 2.79Å; L174-L177 HydrophobicContact CD2-CD1 4.49Å; L174-L177 PolarHBondContact O-N 3.47Å; L177-V179 PolarHBondContact O-N 2.92Å
178V71.3Confident78.4Confident97 Ų9796.1 Ų96.159%0.58855%0.545SS*.THydrogen-bonded Turntrans-91.542.6175.5-173.80000110.3L174 S175 E176 E180 G181L174-V178 VanDerWaalsContact O-CG2 3.3Å; L174-V178 WeakPolarHBondContact O-CG2 3.27Å; L174-V178 PolarHBondContact O-N 2.81Å; S175-V178 PolarHBondContact O-N 2.83Å; E176-V178 PolarHBondContact O-N 3.35Å; V178-E180 CarbonylContact O-C 3.51Å; V178-E180 PolarHBondContact O-N 2.86Å; V178-G181 PolarHBondContact O-N 3.43Å
179V58.1Low77.7Confident124 Ų12499.2 Ų99.275%0.75257%0.57SS**  trans-47-28-179.1-177.40000113.3E176 L177 G181E176-V179 WeakPolarHBondContact O-CG2 3.32Å; E176-V179 PolarHBondContact O-N 3.48Å; L177-V179 PolarHBondContact O-N 2.92Å; V179-G181 PolarHBondContact O-N 3.14Å
180E63.5Low77.3Confident179 Ų179101.5 Ų101.584%0.83660%0.598SS**SBendtrans-100.473.8176.6-63.6179.6-17500110.4V178V178-E180 CarbonylContact O-C 3.51Å; V178-E180 PolarHBondContact O-N 2.86Å
181G62Low77.1Confident48 Ų48101.2 Ų101.250%0.49560%0.603SS.*  trans-58.6139.5169.200000110.9V178 V179 T183V178-G181 PolarHBondContact O-N 3.43Å; V179-G181 PolarHBondContact O-N 3.14Å; G181-T183 PolarHBondContact O-N 3.26Å
182D65.3Low76.9Confident136 Ų136101.3 Ų101.373%0.72761%0.614SS**  trans-52.4113.9179.2-70.6-35.8000110.8Q184 L197D182-Q184 PolarHBondContact O-N 3.46Å; D182-L197 HydrophobicContact CB-CD1 4.34Å
183T70.7Confident76.8Confident82 Ų82103.4 Ų103.450%0.50362%0.617SS.*EExtended strand (participates in β ladder)trans-74.6116.9176.554.30000109.7G181G181-T183 PolarHBondContact O-N 3.26Å
184Q72.9Confident76.4Confident112 Ų112104.1 Ų104.152%0.52362%0.62SS.*EExtended strand (participates in β ladder)trans-84.5128.9177.2-165.9177.553.500110.4D182 R195 L197D182-Q184 PolarHBondContact O-N 3.46Å; Q184-R195 PolarHBondContact N-O 3.03Å; Q184-R195 PolarHBondContact O-N 3.4Å; Q184-L197 HydrophobicContact CB-CD2 3.87Å; Q184-L197 HydrophobicContact CB-CG 4.48Å
185V79.2Confident75.9Confident86 Ų86105.3 Ų105.352%0.52162%0.617SS.*EExtended strand (participates in β ladder)trans-81.6117174.9-1770000109.2A192 L194V185-A192 HydrophobicContact CG1-CB 3.51Å; V185-L194 HydrophobicContact CB-CD2 4.47Å; V185-L194 HydrophobicContact CG2-CD2 3.54Å
186T80.1Confident75.7Confident33 Ų33107.6 Ų107.620%0.20263%0.628CS.*EExtended strand (participates in β ladder)trans-104.1125.417133.30000110.6R193 R195T186-R193 PolarHBondContact N-O 3.47Å; T186-R193 PolarHBondContact O-N 3.03Å; T186-R193 PolarHBondContact OG1-O 2.93Å; T186-R195 WeakPolarHBondContact OG1-CD 3.49Å; T186-R195 PolarHBondContact OG1-NE 3.19Å
187P78.6Confident75.2Confident120 Ų120105.4 Ų105.478%0.77962%0.62SS**EExtended strand (participates in β ladder)trans-71.913317629.1-32.5000110.1
188V83.3Confident75.1Confident66 Ų66107.1 Ų107.140%0.462%0.624SS.*EExtended strand (participates in β ladder)trans-126.2146177.3-174.50000107.4G190 G191 R193V188-G190 PolarHBondContact O-N 2.97Å; V188-G191 PolarHBondContact N-O 2.94Å; V188-G191 CarbonylContact O-C 3.52Å; V188-G191 PolarHBondContact O-N 3.5Å; V188-R193 HydrophobicContact CG2-CB 4.13Å
189P74.4Confident75.5Confident139 Ų139108.5 Ų108.590%0.90364%0.635SS**THydrogen-bonded Turntrans-56.9108.3176.1-22.532.8000110.1
190G81.9Confident76.7Confident92 Ų92109.1 Ų109.195%0.94863%0.633SS**THydrogen-bonded Turntrans109.20-173.300000116.2V188V188-G190 PolarHBondContact O-N 2.97Å
191G85.6Confident77.6Confident48 Ų48106.4 Ų106.450%0.49563%0.631SS.*EExtended strand (participates in β ladder)trans160.5-153.1172.400000115.4V188V188-G191 PolarHBondContact N-O 2.94Å; V188-G191 CarbonylContact O-C 3.52Å; V188-G191 PolarHBondContact O-N 3.5Å
192A84.9Confident78.6Confident75 Ų75109.6 Ų109.662%0.6264%0.636SS**EExtended strand (participates in β ladder)trans-124.9136.1178.100000109.5V185V185-A192 HydrophobicContact CG1-CB 3.51Å
193R82Confident79.6Confident165 Ų165110.9 Ų110.962%0.62364%0.635SS**EExtended strand (participates in β ladder)trans-115.6125.6175.5-172.6170.7-179.4177.30.1109.6T186 V188T186-R193 PolarHBondContact N-O 3.47Å; T186-R193 PolarHBondContact O-N 3.03Å; T186-R193 PolarHBondContact OG1-O 2.93Å; V188-R193 HydrophobicContact CG2-CB 4.13Å
194L80.1Confident80.2Confident110 Ų110111 Ų11158%0.57663%0.632SS**EExtended strand (participates in β ladder)trans-71.4129.2169.5-61.9174.7000108.9V185V185-L194 HydrophobicContact CB-CD2 4.47Å; V185-L194 HydrophobicContact CG2-CD2 3.54Å
195R75.4Confident80.4Confident138 Ų138114.4 Ų114.452%0.52164%0.642SS.*EExtended strand (participates in β ladder)trans-122.2140.1172.8-67.2-173.4-175.7-168-0.3109.2Q184 T186Q184-R195 PolarHBondContact N-O 3.03Å; Q184-R195 PolarHBondContact O-N 3.4Å; T186-R195 WeakPolarHBondContact OG1-CD 3.49Å; T186-R195 PolarHBondContact OG1-NE 3.19Å
196T77.9Confident80.2Confident124 Ų124119.1 Ų119.176%0.76165%0.65SS**EExtended strand (participates in β ladder)trans-71.6134.8167.549.50000108.7
197L72.5Confident79.5Confident98 Ų98128.5 Ų128.551%0.51370%0.699SS.*PPolyproline II helixtrans-64.8143174.8-68.1174.3000110.6D182 Q184D182-L197 HydrophobicContact CB-CD1 4.34Å; Q184-L197 HydrophobicContact CB-CD2 3.87Å; Q184-L197 HydrophobicContact CB-CG 4.48Å
198E77.8Confident79.6Confident177 Ų177128.9 Ų128.983%0.82770%0.695SS**PPolyproline II helixtrans-74.6140.7175.5-69.4-176.1177.700110.5I200E198-I200 PolarHBondContact O-N 3.41Å
199P80.1Confident79.4Confident126 Ų126132.2 Ų132.282%0.81871%0.711SS**PPolyproline II helixtrans-58.8136175.4-23.833.5000112.2
200I82.4Confident79.6Confident138 Ų138131.8 Ų131.871%0.70870%0.7SS**PPolyproline II helixtrans-73.5127.1179.1-59.5172.9000109.3E198 L202E198-I200 PolarHBondContact O-N 3.41Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å; I200-L202 PolarHBondContact O-N 3.31Å
201P83.4Confident79.5Confident122 Ų122134.2 Ų134.279%0.79269%0.685SS**PPolyproline II helixtrans-7211717728.4-33.1000110.7
202L82.5Confident79.1Confident115 Ų115139.6 Ų139.660%0.60270%0.697SS**PPolyproline II helixtrans-102.6141.7177-60.5178.8000111.1L171 I200L171-L202 HydrophobicContact CD1-CD1 3.74Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å; I200-L202 HydrophobicContact CG2-CD2 4.25Å; I200-L202 PolarHBondContact O-N 3.31Å
203K86.8Confident78.7Confident163 Ų163143.9 Ų143.971%0.70970%0.702SS**  trans-125125.9173-67.7-177.3-178.6175.80109.4Y205K203-Y205 HydrophobicContact CB-CE2 3.86Å
204L82.4Confident78.5Confident84 Ų84142.4 Ų142.444%0.4471%0.708SS.*  trans-104135.8175.1-58.3176.3000108.7F164 L167 L168F164-L204 HydrophobicContact CD1-CB 4.16Å; F164-L204 HydrophobicContact CD1-CD1 4.13Å; F164-L204 HydrophobicContact CE1-CB 4.39Å; L167-L204 HydrophobicContact CD2-CD1 4.03Å; L168-L204 HydrophobicContact CD1-CD1 4.32Å; L168-L204 HydrophobicContact CD2-CD1 3.71Å; L168-L204 HydrophobicContact CG-CD1 3.87Å
205Y77.9Confident78.4Confident183 Ų183144.8 Ų144.872%0.71872%0.718SS**  trans-117.3137.6178.5-64.8-88.3000109K203K203-Y205 HydrophobicContact CB-CE2 3.86Å
206R73.5Confident78.6Confident185 Ų185145.4 Ų145.470%0.69874%0.735SS**  trans-116.8137.3173.2-176.2178.1178.9167.33.9107.9F164F164-R206 HydrophobicContact CE2-CB 3.9Å; F164-R206 HydrophobicContact CE2-CG 3.79Å; F164-R206 HydrophobicContact CZ-CB 3.93Å; F164-R206 HydrophobicContact CZ-CG 4.18Å
207N66.4Low78.7Confident230 Ų230147.4 Ų147.4100%1.2373%0.732SS**  trans-77.90173.2-66-26.2000111.2

Retrieved 207 of 207 residues in 47.2 ms (Link to these results)