A0A3B3USU4_9TELE Loading...

Hairy-related 6

AlphaFold DB , UniProt , Accession A0A3B3USU4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 277 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
1M48Very low47.4Very low233 Ų233150.2 Ų150.2100%1.14884%0.84SS**  0113.20-68.7-71169.400105.5
2P51.2Low46.9Very low128 Ų128147 Ų14783%0.83184%0.836SS**  -120147.852.716.46.9000112.6
3A44.8Very low47.6Very low92 Ų92145 Ų14576%0.7683%0.832SS**  94.4108.863.300000112.9
4D44.5Very low47.2Very low136 Ų136145.1 Ų145.173%0.72784%0.836SS**  trans178.1111.5149.6-127.9-118.9000105.2
5M49.4Very low47.1Very low166 Ų166141.7 Ų141.782%0.81883%0.832SS**  42.5126.368-53.4-17272.100109.7
6M53.9Low46.9Very low166 Ų166139.4 Ų139.482%0.81883%0.834SS**  -168.5159.656.8-35.9-169.5-175.200110.1
7E49.7Very low46.6Very low180 Ų180139.2 Ų139.284%0.84183%0.834SS**  trans-48150.7174.2-71163.458.600116.9
8K48Very low46.8Very low209 Ų209138.1 Ų138.191%0.90983%0.83SS**  trans-149.1117.1134-157.7136.9176.1176.40113
9S47.6Very low46.5Very low98 Ų98135.8 Ų135.869%0.68583%0.828SS**  trans-66.7147.5169.929.50000113.2
10S42.2Very low46.2Very low127 Ų127134.3 Ų134.389%0.88882%0.823SS**  trans-163.4127138.8-140.70000112.6
11S42.7Very low46.3Very low117 Ų117136.3 Ų136.382%0.81883%0.826SS**  trans-84.4154.9175.8-63.70000112
12S41.2Very low45.8Very low112 Ų112131.9 Ų131.978%0.78381%0.807SS**  trans-35.3165.3161.8-62.50000115.7
13P55.2Low45.6Very low121 Ų121130.7 Ų130.779%0.78680%0.797SS**  cis-153.9176.344.439.8-16.4000117.6
14V42.5Very low45.8Very low147 Ų147132.5 Ų132.589%0.89180%0.799SS**  172.8136.6120.971.30000111.5
15A46.2Very low45.9Very low94 Ų94132.1 Ų132.178%0.77780%0.804SS**  trans-78.1143.1179.700000112.7
16A42.7Very low45.8Very low104 Ų104130.9 Ų130.986%0.8680%0.801SS**  trans-158.1103.415000000110
17T42.5Very low45.7Very low136 Ų136132.1 Ų132.183%0.83480%0.802SS**  trans-110.6149.1149.6-10000105.4
18P50.7Low45.7Very low119 Ų119127.8 Ų127.877%0.77379%0.789SS**  -151.4170.860.236.6-14.6000118
19A41.4Very low45.9Very low96 Ų96127.2 Ų127.279%0.79379%0.787SS**  trans66.9150.1148.600000119.1
20S40.8Very low46Very low104 Ų104126 Ų12673%0.72778%0.775SS**  cis179.1158.7-14.3-178.20000105.1
21M47.1Very low46.6Very low178 Ų178123.3 Ų123.388%0.87776%0.761SS**  trans72.3130.2171.188.1-149.6166.200117.1
22N37.5Very low47.1Very low139 Ų139120 Ų12074%0.74374%0.738SS**  cis-162.5136.733.7-162.522.6000112.5
23T48.1Very low47.7Very low104 Ų104120.7 Ų120.764%0.63873%0.728SS**  trans24131146.856.90000125.8
24T47.6Very low47.6Very low130 Ų130122.2 Ų122.280%0.79873%0.725SS**  trans77.8131.2151.761.30000120
25P46.1Very low48.3Very low127 Ų127124.7 Ų124.783%0.82572%0.718SS**  -130.1137.387.134.6-23000114.7K27P25-K27 PolarHBondContact O-N 2.82Å
26D49.3Very low48.8Very low141 Ų141127.4 Ų127.475%0.75471%0.712SS**  trans-43.8116.9162.5-157-88.8000111.9P28D26-P28 WeakPolarHBondContact OD1-CD 3.11Å
27K50.8Low49.6Very low192 Ų192125.3 Ų125.384%0.83569%0.692SS**  trans-137.997.7160.2-15684.2154.9-166.50107.5P25 K29P25-K27 PolarHBondContact O-N 2.82Å; K27-K29 PolarHBondContact O-N 3.28Å; K27-K29 VanDerWaalsContact O-N 3.1Å
28P48.9Very low50.7Low89 Ų89121.6 Ų121.658%0.57867%0.671SS**  trans-65.7117.2177.425-29.3000107.5D26 T30D26-P28 WeakPolarHBondContact OD1-CD 3.11Å; P28-T30 VanDerWaalsContact C-N 3.31Å; P28-T30 PolarHBondContact O-N 2.87Å
29K53.8Low52.1Low197 Ų197124.1 Ų124.186%0.85767%0.67SS**  trans-54.4105.6160.1-75.1-176.7178.5177.70105.8K27 A31K27-K29 PolarHBondContact O-N 3.28Å; K27-K29 VanDerWaalsContact O-N 3.1Å; K29-A31 PolarHBondContact O-N 3.41Å
30T49.9Very low54.2Low71 Ų71123.4 Ų123.444%0.43666%0.657SS.*  trans-54.8133.9-159.865.80000110.6P28 S32 E33P28-T30 VanDerWaalsContact C-N 3.31Å; P28-T30 PolarHBondContact O-N 2.87Å; T30-S32 PolarHBondContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.47Å; T30-E33 PolarHBondContact O-N 3.37Å
31A54.1Low56.4Low72 Ų72122.5 Ų122.560%0.59564%0.643SS**Hα-helixtrans-51.5-16.916900000112.7K29 R35K29-A31 PolarHBondContact O-N 3.41Å; A31-R35 WeakPolarHBondContact O-CG 3.32Å; A31-R35 PolarHBondContact O-N 2.98Å
32S53.8Low58.5Low48 Ų48119.2 Ų119.234%0.33663%0.627SS.*Hα-helixtrans-64.5-38172.395.70000113.6T30 R35 K36T30-S32 PolarHBondContact O-N 3.09Å; T30-S32 PolarHBondContact OG1-OG 3.47Å; S32-R35 PolarHBondContact O-N 3.1Å; S32-K36 WeakPolarHBondContact O-CB 3.35Å; S32-K36 WeakPolarHBondContact O-CD 3.35Å; S32-K36 WeakPolarHBondContact O-CG 3.43Å; S32-K36 PolarHBondContact O-N 3.37Å; S32-K36 PolarHBondContact OG-NZ 2.96Å
33E52.4Low61.2Low125 Ų125114.7 Ų114.758%0.58460%0.601SS**Hα-helixtrans-74.6-35-177.3-158.8177.1172.600111.6T30 K36 S37T30-E33 PolarHBondContact O-N 3.37Å; E33-K36 PolarHBondContact O-N 3.39Å; E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.39Å; E33-S37 PolarHBondContact O-OG 3.48Å
34H53.3Low63.3Low153 Ų153117.5 Ų117.571%0.70861%0.605SS**Hα-helixtrans-68.2-36.6173-147.780.3000111.9S37 S38H34-S37 PolarHBondContact O-OG 3.49Å; H34-S38 WeakPolarHBondContact O-CB 3.36Å; H34-S38 PolarHBondContact O-N 3.04Å
35R56.9Low65.6Low200 Ų200119.1 Ų119.176%0.75560%0.596SS**Hα-helixtrans-72.1-32.3173.2-73.2-179.7-178.7-1791.6113.1A31 S32A31-R35 WeakPolarHBondContact O-CG 3.32Å; A31-R35 PolarHBondContact O-N 2.98Å; S32-R35 PolarHBondContact O-N 3.1Å
36K56.9Low68Low150 Ų150118.2 Ų118.265%0.65258%0.576SS**Hα-helixtrans-73.8-33.5176.7-70.7159.1-173.8171.90112.5S32 E33 P40S32-K36 WeakPolarHBondContact O-CB 3.35Å; S32-K36 WeakPolarHBondContact O-CD 3.35Å; S32-K36 WeakPolarHBondContact O-CG 3.43Å; S32-K36 PolarHBondContact O-N 3.37Å; S32-K36 PolarHBondContact OG-NZ 2.96Å; E33-K36 PolarHBondContact O-N 3.39Å; K36-P40 VanDerWaalsContact O-CD 3.32Å; K36-P40 WeakPolarHBondContact O-CD 3.29Å
37S59.8Low70.3Confident61 Ų61116.7 Ų116.743%0.42756%0.56SS.*Hα-helixtrans-91.3-17.1179.154.90000114.8E33 H34 P40 I41E33-S37 WeakPolarHBondContact O-CB 3.39Å; E33-S37 PolarHBondContact O-N 3.39Å; E33-S37 PolarHBondContact O-OG 3.48Å; H34-S37 PolarHBondContact O-OG 3.49Å; S37-P40 VanDerWaalsContact O-CD 3.24Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å; S37-P40 VanDerWaalsContact O-CG 3.24Å; S37-P40 WeakPolarHBondContact O-CG 3.19Å; S37-I41 WeakPolarHBondContact O-CG2 3.25Å; S37-I41 PolarHBondContact O-N 2.93Å
38S65.7Low72.5Confident57 Ų57110.3 Ų110.340%0.39954%0.543SS..Hα-helixtrans-66.3-37.9178.2-179.90000113.7H34 I41 M42H34-S38 WeakPolarHBondContact O-CB 3.36Å; H34-S38 PolarHBondContact O-N 3.04Å; S38-I41 WeakPolarHBondContact O-CG2 3.49Å; S38-M42 WeakPolarHBondContact O-CB 3.34Å; S38-M42 WeakPolarHBondContact O-CG 3.49Å; S38-M42 PolarHBondContact O-N 3.42Å; S38-M42 VanDerWaalsContact O-N 3.1Å
39K80.3Confident74.8Confident173 Ų173114.9 Ų114.975%0.75255%0.549SS*.Hα-helixtrans-63.3-49.9176.5-66.2-176.5178.8-177.50113.1I41 M42 E43K39-I41 PolarHBondContact O-N 2.92Å; K39-M42 PolarHBondContact O-N 3.05Å; K39-E43 PolarHBondContact O-N 3.13Å
40P85.8Confident76.9Confident80 Ų80108.3 Ų108.352%0.51952%0.523SS..Hα-helixtrans-66.4-32.9179.221.5-31.2000113.6K36 S37 K44K36-P40 VanDerWaalsContact O-CD 3.32Å; K36-P40 WeakPolarHBondContact O-CD 3.29Å; S37-P40 VanDerWaalsContact O-CD 3.24Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å; S37-P40 VanDerWaalsContact O-CG 3.24Å; S37-P40 WeakPolarHBondContact O-CG 3.19Å; P40-K44 WeakPolarHBondContact O-CB 3.33Å; P40-K44 PolarHBondContact O-N 2.89Å
41I86.4Confident79.1Confident86 Ų86108.8 Ų108.844%0.44152%0.522SS..Hα-helixtrans-69-38.2175.2-170.8168.3000112.2S37 S38 K39 K44 R45S37-I41 WeakPolarHBondContact O-CG2 3.25Å; S37-I41 PolarHBondContact O-N 2.93Å; S38-I41 WeakPolarHBondContact O-CG2 3.49Å; K39-I41 PolarHBondContact O-N 2.92Å; I41-K44 PolarHBondContact O-N 3.49Å; I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.15Å
42M91Very high81.2Confident109 Ų109111.3 Ų111.354%0.53752%0.522SS..Hα-helixtrans-66.2-41.8176.3-71.8-60.1-66.900111.7S38 K39 R45 R46S38-M42 WeakPolarHBondContact O-CB 3.34Å; S38-M42 WeakPolarHBondContact O-CG 3.49Å; S38-M42 PolarHBondContact O-N 3.42Å; S38-M42 VanDerWaalsContact O-N 3.1Å; K39-M42 PolarHBondContact O-N 3.05Å; M42-R45 PolarHBondContact O-N 2.92Å; M42-R46 PolarHBondContact O-N 3.02Å
43E93.5Very high83.2Confident44 Ų44112 Ų11221%0.20653%0.526CS..Hα-helixtrans-66.6-38.5175.9177.554.5-164.900111.8K39 R45 R46 R47 W277K39-E43 PolarHBondContact O-N 3.13Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 2.9Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.69Å; E43-R46 PolarHBondContact OE1-NH1 2.97Å; E43-R46 IonicContact OE2-CZ 2.71Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.4Å; E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.5Å; E43-R47 PolarHBondContact O-N 2.95Å; E43-R47 VanDerWaalsContact OE1-CG 3.31Å; E43-R47 WeakPolarHBondContact OE1-CG 3.41Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 3.57Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.31Å; E43-W277 VanDerWaalsContact OE1-CH2 3.24Å; E43-W277 WeakPolarHBondContact OE1-CH2 3.46Å; E43-W277 WeakPolarHBondContact OE1-CZ2 3.48Å; E43-W277 WeakPolarHBondContact OE1-CZ3 3.43Å
44K94.2Very high85.3Confident162 Ų162107 Ų10770%0.70450%0.504SS*.Hα-helixtrans-58.5-44.1172.3-173.2176-178.7178.20111.7P40 I41 R47 A48P40-K44 WeakPolarHBondContact O-CB 3.33Å; P40-K44 PolarHBondContact O-N 2.89Å; I41-K44 PolarHBondContact O-N 3.49Å; K44-R47 PolarHBondContact O-N 3.45Å; K44-A48 PolarHBondContact O-N 2.73Å
45R94.6Very high87.3Confident165 Ų165101.4 Ų101.462%0.62349%0.487SS*.Hα-helixtrans-63.8-42.5175.1-73.4179177.6-174.2-1.1112I41 M42 E43 A48 R49I41-R45 WeakPolarHBondContact O-CG 3.38Å; I41-R45 PolarHBondContact O-N 3.15Å; M42-R45 PolarHBondContact O-N 2.92Å; E43-R45 VanDerWaalsContact C-N 3.33Å; E43-R45 PolarHBondContact O-N 2.9Å; R45-A48 PolarHBondContact O-N 3.1Å; R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.25Å; R45-R49 VanDerWaalsContact O-N 3.09Å
46R97.4Very high89.2Confident108 Ų10897.5 Ų97.541%0.40848%0.478SS..Hα-helixtrans-61.3-46.4176.4-179.2174.5159.7-78.6-4.6111.6M42 E43 A48 R49 I50M42-R46 PolarHBondContact O-N 3.02Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH1 3.69Å; E43-R46 PolarHBondContact OE1-NH1 2.97Å; E43-R46 IonicContact OE2-CZ 2.71Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.4Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.11Å; R46-R49 PolarHBondContact O-N 3.27Å; R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 2.89Å
47R97.2Very high91.1Very high109 Ų10992.7 Ų92.741%0.41146%0.459SS..Hα-helixtrans-60.8-40.6176.4-71.7178.4-177.8-166.3-2.7112.4E43 K44 I50 N51E43-R47 HydrophobicContact CG-CG 4.45Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 WeakPolarHBondContact O-CG 3.5Å; E43-R47 PolarHBondContact O-N 2.95Å; E43-R47 VanDerWaalsContact OE1-CG 3.31Å; E43-R47 WeakPolarHBondContact OE1-CG 3.41Å; E43-R47 IonicContact OE1-CZ 2.86Å; E43-R47 IonicContact OE1-NE 3.57Å; E43-R47 PolarHBondContact OE1-NE 3.46Å; E43-R47 IonicContact OE1-NH2 3.31Å; K44-R47 PolarHBondContact O-N 3.45Å; R47-I50 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 3.49Å
48A97.1Very high92.8Very high58 Ų5891.7 Ų91.748%0.47945%0.447SS..Hα-helixtrans-59.8-48.4175.300000111.5K44 R45 R46 I50 N51 E52K44-A48 PolarHBondContact O-N 2.73Å; R45-A48 PolarHBondContact O-N 3.1Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-A48 PolarHBondContact O-N 3.11Å; A48-I50 VanDerWaalsContact C-N 3.35Å; A48-I50 PolarHBondContact O-N 2.83Å; A48-N51 PolarHBondContact O-N 3.02Å; A48-E52 WeakPolarHBondContact O-CB 3.5Å; A48-E52 PolarHBondContact O-N 3.44Å
49R97.9Very high94.2Very high184 Ų18492.7 Ų92.769%0.69445%0.45SS*.Hα-helixtrans-59.8-41.2176.7-70.3-178.564.2-131.7-4.2113.2R45 R46 E52 S53R45-R49 WeakPolarHBondContact O-CG 3.46Å; R45-R49 PolarHBondContact O-N 3.25Å; R45-R49 VanDerWaalsContact O-N 3.09Å; R46-R49 PolarHBondContact O-N 3.27Å; R49-E52 PolarHBondContact O-N 2.95Å; R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 2.94Å
50I96.8Very high94.9Very high60 Ų6089.9 Ų89.931%0.30844%0.443SS..Hα-helixtrans-65.1-41.3177.8-69.5167.7000111.3R46 R47 A48 S53 L54R46-I50 HydrophobicContact CG-CD1 4.02Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 2.89Å; R47-I50 PolarHBondContact O-N 3.23Å; A48-I50 VanDerWaalsContact C-N 3.35Å; A48-I50 PolarHBondContact O-N 2.83Å; I50-S53 PolarHBondContact O-OG 3.47Å; I50-S53 VanDerWaalsContact O-OG 3.08Å; I50-L54 HydrophobicContact CG2-CD1 4.23Å; I50-L54 WeakPolarHBondContact O-CB 3.28Å; I50-L54 PolarHBondContact O-N 3.42Å
51N96.6Very high95.4Very high80 Ų8086.6 Ų86.643%0.42842%0.421SS..Hα-helixtrans-70.9-36.4179.4-70.4-23.1000111.7R47 A48 L54 G55 K77R47-N51 PolarHBondContact O-N 3.23Å; R47-N51 PolarHBondContact O-ND2 3.49Å; A48-N51 PolarHBondContact O-N 3.02Å; N51-L54 PolarHBondContact O-N 3.25Å; N51-G55 PolarHBondContact O-N 2.93Å; N51-K77 PolarHBondContact OD1-NZ 2.88Å
52E97.4Very high95.8Very high125 Ų12582.7 Ų82.758%0.58440%0.401SS*.Hα-helixtrans-61.4-50.1173.5179.1174.8-124.600111.3A48 R49 L54 G55 Q56A48-E52 WeakPolarHBondContact O-CB 3.5Å; A48-E52 PolarHBondContact O-N 3.44Å; R49-E52 PolarHBondContact O-N 2.95Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.46Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 2.86Å
53S97.1Very high95.9Very high62 Ų6282.6 Ų82.643%0.43440%0.403SS..Hα-helixtrans-65.5-3617965.60000112.7R49 I50 G55 Q56 L57R49-S53 PolarHBondContact O-N 3.37Å; R49-S53 PolarHBondContact O-OG 2.94Å; I50-S53 PolarHBondContact O-OG 3.47Å; I50-S53 VanDerWaalsContact O-OG 3.08Å; S53-G55 VanDerWaalsContact C-N 3.33Å; S53-Q56 PolarHBondContact O-N 2.76Å; S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.71Å
54L96.2Very high95.8Very high22 Ų2283.1 Ų83.112%0.11542%0.415CS..Hα-helixtrans-63.2-38.5171.7-91.3169.8000112.4I50 N51 E52 L57 K58 K77 I80 L81I50-L54 HydrophobicContact CG2-CD1 4.23Å; I50-L54 WeakPolarHBondContact O-CB 3.28Å; I50-L54 PolarHBondContact O-N 3.42Å; N51-L54 PolarHBondContact O-N 3.25Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 3.46Å; L54-L57 PolarHBondContact O-N 2.86Å; L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.2Å; L54-K77 HydrophobicContact CD1-CB 4.5Å; L54-K77 HydrophobicContact CD1-CD 3.95Å; L54-K77 HydrophobicContact CD1-CG 4.07Å; L54-I80 HydrophobicContact CD2-CB 4.35Å; L54-I80 HydrophobicContact CD2-CG2 3.94Å; L54-L81 HydrophobicContact CD2-CD2 4.09Å; L54-L81 HydrophobicContact CD2-CG 4.35Å
55G95.3Very high95.6Very high35 Ų3579.1 Ų79.136%0.36140%0.401SS..Hα-helixtrans-63.8-46.8175.100000112.1N51 E52 S53 K58 T59N51-G55 PolarHBondContact O-N 2.93Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; S53-G55 VanDerWaalsContact C-N 3.33Å; G55-K58 WeakPolarHBondContact O-CB 3.35Å; G55-K58 PolarHBondContact O-N 3.04Å; G55-T59 PolarHBondContact O-N 3.07Å; G55-T59 PolarHBondContact O-OG1 3.01Å
56Q96.2Very high95.4Very high117 Ų11780.5 Ų80.555%0.54741%0.411SS..Hα-helixtrans-60.6-45.4174.9-69.8175.3-19.400111.7E52 S53 K58 T59 L60E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 2.86Å; S53-Q56 PolarHBondContact O-N 2.76Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.44Å; Q56-T59 PolarHBondContact O-N 3.43Å; Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.31Å
57L96.8Very high94.9Very high50 Ų5079.8 Ų79.826%0.26241%0.411SS..Hα-helixtrans-60.1-43.7179.5-176.560.8000111.7S53 L54 T59 L60 I61 I80 L81 T84S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.41Å; S53-L57 PolarHBondContact O-N 2.71Å; L54-L57 PolarHBondContact O-N 2.86Å; L57-T59 PolarHBondContact O-N 3.2Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-I61 HydrophobicContact CD1-CG1 4.04Å; L57-I61 HydrophobicContact CG-CG1 4.38Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 VanDerWaalsContact O-CG1 3.22Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.37Å; L57-I80 HydrophobicContact CB-CG2 4.49Å; L57-I80 HydrophobicContact CD2-CG2 4.25Å; L57-I80 HydrophobicContact CG-CG2 4.26Å; L57-L81 HydrophobicContact CD2-CD2 4.49Å; L57-T84 HydrophobicContact CD1-CG2 3.76Å; L57-T84 HydrophobicContact CD2-CG2 4.04Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.34Å; L57-T84 HydrophobicContact CG-CG2 4.25Å; L57-T84 WeakPolarHBondContact CG-OG1 3.48Å
58K95.3Very high94.3Very high40 Ų4079 Ų7917%0.17442%0.415CS..Hα-helixtrans-55.7-49.8175175.8-177.5175.1175.20111.7L54 G55 Q56 I61 L62 H72 S73 L75 I80L54-K58 WeakPolarHBondContact O-CB 3.37Å; L54-K58 PolarHBondContact O-N 3.2Å; G55-K58 WeakPolarHBondContact O-CB 3.35Å; G55-K58 PolarHBondContact O-N 3.04Å; Q56-K58 VanDerWaalsContact C-N 3.33Å; Q56-K58 PolarHBondContact O-N 3.44Å; K58-I61 PolarHBondContact O-N 3.2Å; K58-L62 HydrophobicContact CG-CD1 3.86Å; K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.25Å; K58-L62 WeakPolarHBondContact O-CG 3.34Å; K58-L62 PolarHBondContact O-N 2.91Å; K58-H72 WeakPolarHBondContact CE-O 3.49Å; K58-H72 PolarHBondContact NZ-O 3.23Å; K58-S73 PolarHBondContact NZ-O 2.72Å; K58-L75 HydrophobicContact CD-CD1 4.49Å; K58-L75 HydrophobicContact CG-CD1 4.24Å; K58-I80 HydrophobicContact CB-CD1 4.05Å; K58-I80 HydrophobicContact CB-CG1 4.15Å; K58-I80 HydrophobicContact CB-CG2 4.14Å; K58-I80 HydrophobicContact CD-CD1 4.07Å; K58-I80 HydrophobicContact CD-CG1 4.41Å; K58-I80 HydrophobicContact CG-CD1 4.37Å; K58-I80 HydrophobicContact CG-CG1 4.32Å
59T94.9Very high93.6Very high77 Ų7780.1 Ų80.147%0.47242%0.419SS..Hα-helixtrans-60.7-51.8179.9-56.70000111.1G55 Q56 L57 I61 L62 D63G55-T59 PolarHBondContact O-N 3.07Å; G55-T59 PolarHBondContact O-OG1 3.01Å; Q56-T59 PolarHBondContact O-N 3.43Å; L57-T59 PolarHBondContact O-N 3.2Å; T59-I61 VanDerWaalsContact C-N 3.28Å; T59-I61 PolarHBondContact O-N 3.25Å; T59-L62 PolarHBondContact O-N 2.98Å; T59-D63 WeakPolarHBondContact O-CB 3.36Å; T59-D63 VanDerWaalsContact O-CG 3.29Å; T59-D63 PolarHBondContact O-N 3.29Å
60L95.8Very high92.8Very high114 Ų11475.6 Ų75.660%0.59742%0.416SS*.Hα-helixtrans-57.2-41.3-179.5-70.6173.1000112.6Q56 L57 A64Q56-L60 WeakPolarHBondContact O-CG 3.44Å; Q56-L60 PolarHBondContact O-N 3.31Å; L57-L60 PolarHBondContact O-N 2.96Å; L60-A64 WeakPolarHBondContact O-CB 3.41Å; L60-A64 PolarHBondContact O-N 3.42Å
61I95.4Very high92.1Very high12 Ų1281.5 Ų81.56%0.06243%0.434CS..Hα-helixtrans-72-40.2-179.6-67.1-63.6000111.9L57 K58 T59 L65 M83 T84 H87L57-I61 HydrophobicContact CD1-CG1 4.04Å; L57-I61 HydrophobicContact CG-CG1 4.38Å; L57-I61 WeakPolarHBondContact O-CB 3.35Å; L57-I61 VanDerWaalsContact O-CG1 3.22Å; L57-I61 WeakPolarHBondContact O-CG1 3.46Å; L57-I61 PolarHBondContact O-N 3.37Å; K58-I61 PolarHBondContact O-N 3.2Å; T59-I61 VanDerWaalsContact C-N 3.28Å; T59-I61 PolarHBondContact O-N 3.25Å; I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CB 3.28Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.4Å; I61-M83 HydrophobicContact CG2-CB 4Å; I61-M83 HydrophobicContact CG2-CE 4.13Å; I61-T84 HydrophobicContact CD1-CG2 4.17Å; I61-T84 HydrophobicContact CG1-CG2 4.44Å; I61-H87 HydrophobicContact CD1-CB 3.95Å
62L94.1Very high91.5Very high3 Ų378.7 Ų78.72%0.01642%0.418CS..Hα-helixtrans-65.5-41.6176.6-69.2172.9000111.4K58 T59 L65 K66 K67 H72 L75 M83K58-L62 HydrophobicContact CG-CD1 3.86Å; K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 VanDerWaalsContact O-CG 3.25Å; K58-L62 WeakPolarHBondContact O-CG 3.34Å; K58-L62 PolarHBondContact O-N 2.91Å; T59-L62 PolarHBondContact O-N 2.98Å; L62-L65 CarbonylContact O-C 3.55Å; L62-L65 PolarHBondContact O-N 3.48Å; L62-K66 PolarHBondContact O-N 3.03Å; L62-K67 HydrophobicContact CD2-CB 3.99Å; L62-K67 PolarHBondContact O-N 3.38Å; L62-H72 HydrophobicContact CD1-CB 3.62Å; L62-H72 HydrophobicContact CD2-CB 3.61Å; L62-H72 VanDerWaalsContact CD2-CG 3.48Å; L62-H72 HydrophobicContact CG-CB 4.29Å; L62-L75 HydrophobicContact CD2-CD1 4.39Å; L62-M83 HydrophobicContact CD2-CE 4.09Å
63D93.2Very high90.8Very high107 Ų10776.9 Ų76.957%0.57242%0.419SS*.Hα-helixtrans-63.6-48176-69.8-12000111.1T59 L65 K66T59-D63 WeakPolarHBondContact O-CB 3.36Å; T59-D63 VanDerWaalsContact O-CG 3.29Å; T59-D63 PolarHBondContact O-N 3.29Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 2.94Å; D63-K66 PolarHBondContact O-N 2.94Å
64A91.9Very high90.3Very high56 Ų5683.1 Ų83.146%0.46344%0.439SS..Hα-helixtrans-62.3-33.3178.600000112.9L60L60-A64 WeakPolarHBondContact O-CB 3.41Å; L60-A64 PolarHBondContact O-N 3.42Å
65L90.3Very high89.9Confident77 Ų7783.7 Ų83.740%0.40344%0.442SS..THydrogen-bonded Turntrans-90.51.3177.4-64.6175.7000113.4I61 L62 D63 K67 M83I61-L65 HydrophobicContact CG2-CD1 3.76Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 VanDerWaalsContact O-CB 3.31Å; I61-L65 WeakPolarHBondContact O-CB 3.28Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.4Å; L62-L65 CarbonylContact O-C 3.55Å; L62-L65 PolarHBondContact O-N 3.48Å; D63-L65 VanDerWaalsContact C-N 3.27Å; D63-L65 PolarHBondContact O-N 2.94Å; L65-K67 HydrophobicContact CB-CB 4.46Å; L65-K67 PolarHBondContact O-N 3.43Å; L65-M83 HydrophobicContact CD1-CE 3.58Å
66K89.6Confident89.8Confident195 Ų19588.5 Ų88.585%0.84846%0.455SS*.THydrogen-bonded Turntrans4944.8-174.8-60.6-178.3176.7177.70112.6L62 D63L62-K66 PolarHBondContact O-N 3.03Å; D63-K66 PolarHBondContact O-N 2.94Å
67K87.8Confident89.7Confident93 Ų9388.5 Ų88.540%0.40445%0.453SS..  trans-106.7138.9-175.4-148.5165-173.7-175.80110.9L62 L65 S69 H72 M83L62-K67 HydrophobicContact CD2-CB 3.99Å; L62-K67 PolarHBondContact O-N 3.38Å; L65-K67 HydrophobicContact CB-CB 4.46Å; L65-K67 PolarHBondContact O-N 3.43Å; K67-S69 PolarHBondContact O-N 3.05Å; K67-S69 VanDerWaalsContact O-N 3.15Å; K67-H72 WeakPolarHBondContact CD-NE2 3.45Å; K67-H72 WeakPolarHBondContact CE-NE2 3.46Å; K67-H72 WeakPolarHBondContact CG-NE2 3.05Å; K67-M83 HydrophobicContact CD-CE 4.35Å
68D84.8Confident89.6Confident93 Ų9389.2 Ų89.250%0.49747%0.466SS..  trans-61.5117.2-172.7-55.8-53.2000112.3S70 R71 H72D68-S70 PolarHBondContact O-N 3.27Å; D68-R71 HydrophobicContact CB-CB 4.33Å; D68-R71 HydrophobicContact CB-CG 4.1Å; D68-R71 PolarHBondContact O-N 3.27Å; D68-H72 PolarHBondContact O-CD2 3.41Å; D68-H72 VanDerWaalsContact O-CD2 3.27Å; D68-H72 PolarHBondContact O-N 3.17Å
69S82.5Confident89.6Confident80 Ų8090 Ų9056%0.55947%0.472SS*.THydrogen-bonded Turntrans-57.9-32.6178.7-172.60000112.8K67 H72 S73K67-S69 PolarHBondContact O-N 3.05Å; K67-S69 VanDerWaalsContact O-N 3.15Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 3.18Å; S69-S73 PolarHBondContact O-N 2.97Å
70S81.2Confident89.6Confident89 Ų8987 Ų8762%0.62245%0.453SS*.THydrogen-bonded Turntrans-62.8-45.3178.860.50000113D68 H72 S73D68-S70 PolarHBondContact O-N 3.27Å; S70-H72 PolarHBondContact O-N 3.21Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.97Å; S70-S73 PolarHBondContact O-OG 3.49Å
71R81.2Confident89.6Confident184 Ų18485.9 Ų85.969%0.69445%0.447SS*.THydrogen-bonded Turntrans-69.3-21.4177.9-64.1-175.565.1-152.60.3112.5D68D68-R71 HydrophobicContact CB-CB 4.33Å; D68-R71 HydrophobicContact CB-CG 4.1Å; D68-R71 PolarHBondContact O-N 3.27Å
72H84.7Confident89.7Confident22 Ų2291.8 Ų91.810%0.10247%0.474CS..THydrogen-bonded Turntrans-106.910.7-178.4-72.4-80.7000113K58 L62 K67 D68 S69 S70 K74 L75K58-H72 WeakPolarHBondContact CE-O 3.49Å; K58-H72 PolarHBondContact NZ-O 3.23Å; L62-H72 HydrophobicContact CD1-CB 3.62Å; L62-H72 HydrophobicContact CD2-CB 3.61Å; L62-H72 VanDerWaalsContact CD2-CG 3.48Å; L62-H72 HydrophobicContact CG-CB 4.29Å; K67-H72 WeakPolarHBondContact CD-NE2 3.45Å; K67-H72 WeakPolarHBondContact CE-NE2 3.46Å; K67-H72 WeakPolarHBondContact CG-NE2 3.05Å; D68-H72 PolarHBondContact O-CD2 3.41Å; D68-H72 VanDerWaalsContact O-CD2 3.27Å; D68-H72 PolarHBondContact O-N 3.17Å; S69-H72 CarbonylContact O-C 3.36Å; S69-H72 PolarHBondContact O-N 3.18Å; S70-H72 PolarHBondContact O-N 3.21Å; H72-K74 PolarHBondContact O-N 2.82Å; H72-K74 VanDerWaalsContact O-N 3.15Å; H72-L75 HydrophobicContact CB-CD1 3.76Å; H72-L75 HydrophobicContact CB-CG 4Å; H72-L75 WeakPolarHBondContact O-CG 3.36Å; H72-L75 PolarHBondContact O-N 3.39Å
73S83.4Confident89.7Confident86 Ų8693.2 Ų93.260%0.60148%0.482SS*.THydrogen-bonded Turntrans-56.2-32.5179.454.80000112.7K58 S69 S70K58-S73 PolarHBondContact NZ-O 2.72Å; S69-S73 PolarHBondContact O-N 2.97Å; S70-S73 WeakPolarHBondContact O-CB 3.49Å; S70-S73 PolarHBondContact O-N 2.97Å; S70-S73 PolarHBondContact O-OG 3.49Å
74K86Confident89.9Confident194 Ų19488.8 Ų88.884%0.84346%0.458SS*.THydrogen-bonded Turntrans-106.925.9-177.1-151.4177.5-179.1179.60115.4H72 E76H72-K74 PolarHBondContact O-N 2.82Å; H72-K74 VanDerWaalsContact O-N 3.15Å; K74-E76 PolarHBondContact O-N 2.96Å
75L87.1Confident90.2Very high34 Ų3490.1 Ų90.118%0.17846%0.46CS..  trans-57.8134176.5-79.1172.8000112.2K58 L62 H72 D79 I80 M83K58-L75 HydrophobicContact CD-CD1 4.49Å; K58-L75 HydrophobicContact CG-CD1 4.24Å; L62-L75 HydrophobicContact CD2-CD1 4.39Å; H72-L75 HydrophobicContact CB-CD1 3.76Å; H72-L75 HydrophobicContact CB-CG 4Å; H72-L75 WeakPolarHBondContact O-CG 3.36Å; H72-L75 PolarHBondContact O-N 3.39Å; L75-D79 HydrophobicContact CB-CB 4.5Å; L75-D79 HydrophobicContact CD2-CB 3.59Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.92Å; L75-I80 HydrophobicContact CD1-CG1 4.32Å; L75-M83 HydrophobicContact CD1-SD 4.24Å; L75-M83 HydrophobicContact CD2-SD 4.36Å
76E93.8Very high90.4Very high135 Ų13593.1 Ų93.163%0.63147%0.47SS*.  trans-74.2160.8172.9-59.6-163.811200110.7K74 A78 D79 I80K74-E76 PolarHBondContact O-N 2.96Å; E76-A78 PolarHBondContact O-N 3.34Å; E76-D79 PolarHBondContact N-OD2 3.46Å; E76-D79 PolarHBondContact O-N 3.18Å; E76-I80 WeakPolarHBondContact O-CG1 3.25Å; E76-I80 PolarHBondContact O-N 3.47Å; E76-I80 VanDerWaalsContact O-N 3.12Å
77K93.6Very high90.7Very high118 Ų11885.9 Ų85.951%0.51344%0.439SS..Hα-helixtrans-59.1-37.2178.5-68.5-172.7171.2-172.20111.8N51 L54 L81N51-K77 PolarHBondContact OD1-NZ 2.88Å; L54-K77 HydrophobicContact CD1-CB 4.5Å; L54-K77 HydrophobicContact CD1-CD 3.95Å; L54-K77 HydrophobicContact CD1-CG 4.07Å; K77-L81 VanDerWaalsContact O-CG 3.31Å; K77-L81 WeakPolarHBondContact O-CG 3.39Å; K77-L81 PolarHBondContact O-N 3.11Å
78A95.7Very high91.1Very high65 Ų6586.1 Ų86.154%0.53745%0.445SS..Hα-helixtrans-63.5-46.4176.600000111.3E76 I80 L81 E82E76-A78 PolarHBondContact O-N 3.34Å; A78-I80 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.36Å; A78-L81 VanDerWaalsContact O-N 3.15Å; A78-E82 PolarHBondContact O-N 3.48Å
79D94.3Very high91.5Very high56 Ų5689 Ų8930%0.29945%0.448SS..Hα-helixtrans-61.7-41.7179.8-57.6-26.2000112.7L75 E76 L81 E82 M83L75-D79 HydrophobicContact CB-CB 4.5Å; L75-D79 HydrophobicContact CD2-CB 3.59Å; E76-D79 PolarHBondContact N-OD2 3.46Å; E76-D79 PolarHBondContact O-N 3.18Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.24Å; D79-E82 PolarHBondContact O-N 3.39Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 WeakPolarHBondContact O-CG 3.07Å; D79-M83 PolarHBondContact O-N 3.33Å
80I94.6Very high91.9Very high14 Ų1488.5 Ų88.57%0.07244%0.44CS..Hα-helixtrans-58.7-45.3176.8-63.3165.8000109.6L54 L57 K58 L75 E76 A78 T84L54-I80 HydrophobicContact CD2-CB 4.35Å; L54-I80 HydrophobicContact CD2-CG2 3.94Å; L57-I80 HydrophobicContact CB-CG2 4.49Å; L57-I80 HydrophobicContact CD2-CG2 4.25Å; L57-I80 HydrophobicContact CG-CG2 4.26Å; K58-I80 HydrophobicContact CB-CD1 4.05Å; K58-I80 HydrophobicContact CB-CG1 4.15Å; K58-I80 HydrophobicContact CB-CG2 4.14Å; K58-I80 HydrophobicContact CD-CD1 4.07Å; K58-I80 HydrophobicContact CD-CG1 4.41Å; K58-I80 HydrophobicContact CG-CD1 4.37Å; K58-I80 HydrophobicContact CG-CG1 4.32Å; L75-I80 HydrophobicContact CB-CD1 4.43Å; L75-I80 HydrophobicContact CB-CG1 3.92Å; L75-I80 HydrophobicContact CD1-CG1 4.32Å; E76-I80 WeakPolarHBondContact O-CG1 3.25Å; E76-I80 PolarHBondContact O-N 3.47Å; E76-I80 VanDerWaalsContact O-N 3.12Å; A78-I80 PolarHBondContact O-N 2.89Å; I80-T84 WeakPolarHBondContact O-CB 3.22Å; I80-T84 PolarHBondContact O-N 2.78Å; I80-T84 PolarHBondContact O-OG1 3.33Å
81L97.4Very high92.5Very high91 Ų9187.7 Ų87.748%0.47643%0.428SS..Hα-helixtrans-67.6-42.7179-65.9174.8000111.7L54 L57 K77 A78 D79 T84 V85L54-L81 HydrophobicContact CD2-CD2 4.09Å; L54-L81 HydrophobicContact CD2-CG 4.35Å; L57-L81 HydrophobicContact CD2-CD2 4.49Å; K77-L81 VanDerWaalsContact O-CG 3.31Å; K77-L81 WeakPolarHBondContact O-CG 3.39Å; K77-L81 PolarHBondContact O-N 3.11Å; A78-L81 PolarHBondContact O-N 3.36Å; A78-L81 VanDerWaalsContact O-N 3.15Å; D79-L81 VanDerWaalsContact C-N 3.28Å; D79-L81 PolarHBondContact O-N 3.24Å; L81-T84 WeakPolarHBondContact O-CB 2.98Å; L81-T84 PolarHBondContact O-N 3.4Å; L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 2.87Å
82E95.8Very high92.8Very high135 Ų13584.7 Ų84.763%0.63142%0.422SS*.Hα-helixtrans-62.8-48.8178.4-173.4-179.4167.400111.6A78 D79 T84 V85 K86A78-E82 PolarHBondContact O-N 3.48Å; D79-E82 PolarHBondContact O-N 3.39Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.44Å; E82-V85 PolarHBondContact O-N 3.34Å; E82-K86 WeakPolarHBondContact O-CB 3.35Å; E82-K86 PolarHBondContact O-N 3.37Å
83M95.3Very high93Very high34 Ų3491 Ų9117%0.16745%0.445CS..Hα-helixtrans-59.2-40.3176.5-74.7-171.159.300111.6I61 L62 L65 K67 L75 D79 H87I61-M83 HydrophobicContact CG2-CB 4Å; I61-M83 HydrophobicContact CG2-CE 4.13Å; L62-M83 HydrophobicContact CD2-CE 4.09Å; L65-M83 HydrophobicContact CD1-CE 3.58Å; K67-M83 HydrophobicContact CD-CE 4.35Å; L75-M83 HydrophobicContact CD1-SD 4.24Å; L75-M83 HydrophobicContact CD2-SD 4.36Å; D79-M83 WeakPolarHBondContact O-CB 3.32Å; D79-M83 WeakPolarHBondContact O-CG 3.07Å; D79-M83 PolarHBondContact O-N 3.33Å; M83-H87 WeakPolarHBondContact O-CB 3.33Å; M83-H87 PolarHBondContact O-N 2.93Å
84T96.8Very high93Very high13 Ų1389.6 Ų89.68%0.0844%0.438CS..Hα-helixtrans-62.2-51.3176.1-58.50000111.4L57 I61 I80 L81 E82 K86 H87 L88L57-T84 HydrophobicContact CD1-CG2 3.76Å; L57-T84 HydrophobicContact CD2-CG2 4.04Å; L57-T84 WeakPolarHBondContact CD2-OG1 3.34Å; L57-T84 HydrophobicContact CG-CG2 4.25Å; L57-T84 WeakPolarHBondContact CG-OG1 3.48Å; I61-T84 HydrophobicContact CD1-CG2 4.17Å; I61-T84 HydrophobicContact CG1-CG2 4.44Å; I80-T84 WeakPolarHBondContact O-CB 3.22Å; I80-T84 PolarHBondContact O-N 2.78Å; I80-T84 PolarHBondContact O-OG1 3.33Å; L81-T84 WeakPolarHBondContact O-CB 2.98Å; L81-T84 PolarHBondContact O-N 3.4Å; E82-T84 VanDerWaalsContact C-N 3.26Å; E82-T84 PolarHBondContact O-N 3.44Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.46Å; T84-H87 PolarHBondContact O-N 2.78Å; T84-H87 VanDerWaalsContact O-N 3.13Å; T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.22Å; T84-L88 PolarHBondContact O-N 2.83Å
85V97.4Very high92.8Very high84 Ų8485.9 Ų85.951%0.50942%0.424SS..Hα-helixtrans-61.2-43-179.2171.70000110.4L81 E82 H87 L88 R89L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.27Å; L81-V85 PolarHBondContact O-N 2.87Å; E82-V85 PolarHBondContact O-N 3.34Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.73Å; V85-L88 PolarHBondContact O-N 3.36Å; V85-R89 HydrophobicContact CG1-CG 4.42Å; V85-R89 WeakPolarHBondContact O-CB 3.32Å; V85-R89 VanDerWaalsContact O-CG 3.28Å; V85-R89 WeakPolarHBondContact O-CG 3.45Å; V85-R89 PolarHBondContact O-N 3.05Å
86K95.6Very high92.2Very high140 Ų14090.9 Ų90.961%0.60945%0.448SS*.Hα-helixtrans-59.3-45.4174.8-175.9174.7-179.9172.10111.5E82 T84 R89 N90E82-K86 WeakPolarHBondContact O-CB 3.35Å; E82-K86 PolarHBondContact O-N 3.37Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.46Å; K86-R89 PolarHBondContact O-N 2.92Å; K86-N90 WeakPolarHBondContact O-CB 3.36Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 2.95Å; K86-N90 PolarHBondContact O-OD1 3.21Å; K86-N90 VanDerWaalsContact O-OD1 3.08Å
87H95Very high91.3Very high43 Ų4387.6 Ų87.620%0.19944%0.437CS..Hα-helixtrans-62.6-46.1177.1-179.171.2000112I61 M83 T84 V85 R89 N90 L91I61-H87 HydrophobicContact CD1-CB 3.95Å; M83-H87 WeakPolarHBondContact O-CB 3.33Å; M83-H87 PolarHBondContact O-N 2.93Å; T84-H87 PolarHBondContact O-N 2.78Å; T84-H87 VanDerWaalsContact O-N 3.13Å; V85-H87 VanDerWaalsContact C-N 3.34Å; V85-H87 PolarHBondContact O-N 2.73Å; H87-R89 PolarHBondContact O-N 3.44Å; H87-N90 CarbonylContact O-C 3.33Å; H87-N90 WeakPolarHBondContact O-CB 3.43Å; H87-N90 PolarHBondContact O-N 2.92Å; H87-N90 VanDerWaalsContact O-N 3.16Å; H87-L91 WeakPolarHBondContact O-CB 3.33Å; H87-L91 PolarHBondContact O-N 2.7Å
88L96.1Very high90.1Very high98 Ų9884.1 Ų84.151%0.51343%0.431SS..Hα-helixtrans-61.9-41.7178.2-69.5176.1000112.4T84 V85 N90 L91 Q92T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.22Å; T84-L88 PolarHBondContact O-N 2.83Å; V85-L88 PolarHBondContact O-N 3.36Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.14Å; L88-Q92 WeakPolarHBondContact O-CB 3.29Å; L88-Q92 PolarHBondContact O-N 3.12Å
89R93.8Very high88.6Confident153 Ų15384.3 Ų84.358%0.57743%0.432SS*.Hα-helixtrans-63.5-40174.3-70-68.9-171.6162.23.2111.7V85 K86 H87 R93V85-R89 HydrophobicContact CG1-CG 4.42Å; V85-R89 WeakPolarHBondContact O-CB 3.32Å; V85-R89 VanDerWaalsContact O-CG 3.28Å; V85-R89 WeakPolarHBondContact O-CG 3.45Å; V85-R89 PolarHBondContact O-N 3.05Å; K86-R89 PolarHBondContact O-N 2.92Å; H87-R89 PolarHBondContact O-N 3.44Å; R89-R93 WeakPolarHBondContact O-CG 3.16Å; R89-R93 PolarHBondContact O-N 3.47Å; R89-R93 VanDerWaalsContact O-N 3.12Å
90N92.1Very high87.1Confident70 Ų7086.4 Ų86.437%0.37444%0.443SS..Hα-helixtrans-65.7-42.9175.2-77.127.2000111.6K86 H87 L88 R93 A94K86-N90 WeakPolarHBondContact O-CB 3.36Å; K86-N90 VanDerWaalsContact O-CG 3.32Å; K86-N90 PolarHBondContact O-N 2.95Å; K86-N90 PolarHBondContact O-OD1 3.21Å; K86-N90 VanDerWaalsContact O-OD1 3.08Å; H87-N90 CarbonylContact O-C 3.33Å; H87-N90 WeakPolarHBondContact O-CB 3.43Å; H87-N90 PolarHBondContact O-N 2.92Å; H87-N90 VanDerWaalsContact O-N 3.16Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.49Å; N90-R93 PolarHBondContact O-N 3.43Å; N90-R93 PolarHBondContact OD1-NH2 2.86Å; N90-A94 WeakPolarHBondContact O-CB 3.45Å; N90-A94 PolarHBondContact O-N 3.17Å
91L92.4Very high85.5Confident73 Ų7389.9 Ų89.938%0.38246%0.461SS..Hα-helixtrans-62.6-44.8177.8-176.763.4000111H87 L88 R93 A94 Q95H87-L91 WeakPolarHBondContact O-CB 3.33Å; H87-L91 PolarHBondContact O-N 2.7Å; L88-L91 PolarHBondContact O-N 3.14Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.91Å; L91-A94 PolarHBondContact O-N 2.87Å; L91-Q95 HydrophobicContact CD1-CG 4.29Å; L91-Q95 HydrophobicContact CG-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3.42Å
92Q88.6Confident83.9Confident121 Ų12191.1 Ų91.157%0.56547%0.473SS*.Hα-helixtrans-60.5-43.6176.8-172.5-178.113.100111.8L88 Q95 M96L88-Q92 WeakPolarHBondContact O-CB 3.29Å; L88-Q92 PolarHBondContact O-N 3.12Å; Q92-Q95 PolarHBondContact O-N 3.46Å; Q92-M96 WeakPolarHBondContact O-CB 3.35Å; Q92-M96 PolarHBondContact O-N 3.46Å
93R88.1Confident82.2Confident154 Ų15487.6 Ų87.658%0.58146%0.459SS*.Hα-helixtrans-63.1-47.4174.5-76.6-170.7-70-1200.8111.7R89 N90 L91 Q95 M96 T97R89-R93 WeakPolarHBondContact O-CG 3.16Å; R89-R93 PolarHBondContact O-N 3.47Å; R89-R93 VanDerWaalsContact O-N 3.12Å; N90-R93 PolarHBondContact O-N 3.43Å; N90-R93 PolarHBondContact OD1-NH2 2.86Å; L91-R93 VanDerWaalsContact C-N 3.35Å; L91-R93 PolarHBondContact O-N 2.91Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.05Å; R93-M96 PolarHBondContact O-N 3.02Å; R93-T97 PolarHBondContact O-N 2.75Å; R93-T97 PolarHBondContact O-OG1 3.07Å
94A84.3Confident80.7Confident56 Ų5690.4 Ų90.446%0.46348%0.479SS..Hα-helixtrans-62.1-39179.200000111.8N90 L91 T97 A98N90-A94 WeakPolarHBondContact O-CB 3.45Å; N90-A94 PolarHBondContact O-N 3.17Å; L91-A94 PolarHBondContact O-N 2.87Å; A94-T97 PolarHBondContact O-N 2.83Å; A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.05Å
95Q81.2Confident79.4Confident117 Ų11792 Ų9255%0.54749%0.491SS..Hα-helixtrans-67.4-39.6174.6-75.9179.9-5.400112.2L91 Q92 R93 A98 A99L91-Q95 HydrophobicContact CD1-CG 4.29Å; L91-Q95 HydrophobicContact CG-CG 4.4Å; L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.43Å; L91-Q95 PolarHBondContact O-N 3.42Å; Q92-Q95 PolarHBondContact O-N 3.46Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.11Å; Q95-A99 VanDerWaalsContact O-CB 3.25Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 2.63Å
96M75.2Confident78.5Confident138 Ų13892.9 Ų92.968%0.6849%0.492SS*.Hα-helixtrans-63.9-45.1174.8-170.7176.7-16900111.1Q92 R93 A99 L100Q92-M96 WeakPolarHBondContact O-CB 3.35Å; Q92-M96 PolarHBondContact O-N 3.46Å; R93-M96 PolarHBondContact O-N 3.02Å; M96-A99 PolarHBondContact O-N 3.37Å; M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 3.39Å; M96-L100 VanDerWaalsContact O-N 3.17Å
97T73.6Confident77.6Confident67 Ų6788.4 Ų88.441%0.41147%0.474SS..Hα-helixtrans-62.3-44.3172.9-56.30000111.1R93 A94 A99 L100 N101R93-T97 PolarHBondContact O-N 2.75Å; R93-T97 PolarHBondContact O-OG1 3.07Å; A94-T97 PolarHBondContact O-N 2.83Å; T97-A99 PolarHBondContact O-N 3.46Å; T97-L100 PolarHBondContact O-N 3.09Å; T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 2.85Å
98A69.5Low77Confident45 Ų4588.1 Ų88.137%0.37248%0.483SS..Hα-helixtrans-65.7-37.7179.100000112.1A94 Q95 L100 N101 T102A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.11Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 3.24Å; A98-N101 CarbonylContact O-C 3.6Å; A98-N101 WeakPolarHBondContact O-CA 3.43Å; A98-N101 PolarHBondContact O-N 3.15Å; A98-T102 WeakPolarHBondContact O-CB 3.42Å; A98-T102 PolarHBondContact O-N 3.3Å; A98-T102 PolarHBondContact O-OG1 2.91Å
99A62.7Low76.5Confident69 Ų6989.6 Ų89.657%0.5749%0.485SS*.Hα-helixtrans-63-38.8175.500000111.6Q95 M96 T97 N101 T102Q95-A99 VanDerWaalsContact O-CB 3.25Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 2.63Å; M96-A99 PolarHBondContact O-N 3.37Å; T97-A99 PolarHBondContact O-N 3.46Å; A99-N101 PolarHBondContact O-N 3.4Å; A99-T102 PolarHBondContact O-N 2.89Å
100L63.1Low76.2Confident99 Ų9988.7 Ų88.752%0.51848%0.483SS..Hα-helixtrans-65.6-27.1171.1-64.2173.6000112.6M96 T97 A98M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 3.39Å; M96-L100 VanDerWaalsContact O-N 3.17Å; T97-L100 PolarHBondContact O-N 3.09Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 3.24Å
101N62.2Low76Confident87 Ų8791.2 Ų91.247%0.46549%0.487SS..Hα-helixtrans-95.1-12.5179.4-76.4-77.8000114.5T97 A98 A99 D103 P104T97-N101 PolarHBondContact O-N 3.07Å; T97-N101 VanDerWaalsContact O-N 3.1Å; T97-N101 PolarHBondContact O-ND2 2.85Å; A98-N101 CarbonylContact O-C 3.6Å; A98-N101 WeakPolarHBondContact O-CA 3.43Å; A98-N101 PolarHBondContact O-N 3.15Å; A99-N101 PolarHBondContact O-N 3.4Å; N101-D103 VanDerWaalsContact C-N 3.28Å; N101-D103 PolarHBondContact O-N 2.9Å; N101-P104 WeakPolarHBondContact O-CD 3.38Å
102T63.1Low75.8Confident117 Ų11790.1 Ų90.172%0.71849%0.489SS*.Hα-helixtrans-73.6-23.6-173.5-61.90000111.6A98 A99A98-T102 WeakPolarHBondContact O-CB 3.42Å; A98-T102 PolarHBondContact O-N 3.3Å; A98-T102 PolarHBondContact O-OG1 2.91Å; A99-T102 PolarHBondContact O-N 2.89Å
103D60.5Low76Confident62 Ų6286.1 Ų86.133%0.33248%0.48SS..  trans-137.390.2161.6-171.1-3.7000109.5N101 S105 I106N101-D103 VanDerWaalsContact C-N 3.28Å; N101-D103 PolarHBondContact O-N 2.9Å; D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 3.26Å; D103-I106 HydrophobicContact CB-CB 4.45Å; D103-I106 HydrophobicContact CB-CG1 3.72Å; D103-I106 PolarHBondContact O-N 2.95Å; D103-I106 WeakPolarHBondContact OD2-CG1 3.37Å
104P63Low76.3Confident93 Ų9380.5 Ų80.560%0.60446%0.46SS*.Hα-helixtrans-60.2-17174.627.1-32.8000111.5N101 G108N101-P104 WeakPolarHBondContact O-CD 3.38Å; P104-G108 PolarHBondContact O-N 3.35Å
105S70.1Confident76.8Confident45 Ų4579.8 Ų79.832%0.31545%0.451SS..Hα-helixtrans-70.1-27.717296.70000112.6D103 G108 K109D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CA 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.47Å; D103-S105 PolarHBondContact OD2-OG 3.26Å; S105-G108 CarbonylContact O-C 3.59Å; S105-G108 PolarHBondContact O-N 3.08Å; S105-K109 WeakPolarHBondContact O-CB 3.38Å; S105-K109 VanDerWaalsContact O-CD 3.32Å; S105-K109 WeakPolarHBondContact O-CD 3.31Å; S105-K109 WeakPolarHBondContact O-CG 3.37Å; S105-K109 PolarHBondContact O-N 2.97Å; S105-K109 WeakPolarHBondContact OG-CE 3.35Å; S105-K109 PolarHBondContact OG-NZ 3.16Å
106I77.6Confident77.5Confident103 Ų10380.9 Ų80.953%0.52846%0.457SS..Hα-helixtrans-66.1-45.9176.5-65.4-71000110.1D103 G108 K109 Y110D103-I106 HydrophobicContact CB-CB 4.45Å; D103-I106 HydrophobicContact CB-CG1 3.72Å; D103-I106 PolarHBondContact O-N 2.95Å; D103-I106 WeakPolarHBondContact OD2-CG1 3.37Å; I106-G108 VanDerWaalsContact C-N 3.32Å; I106-K109 PolarHBondContact O-N 3.49Å; I106-Y110 WeakPolarHBondContact O-CB 3.39Å; I106-Y110 PolarHBondContact O-N 2.9Å
107L78.3Confident78.4Confident46 Ų4677.9 Ų77.924%0.24145%0.448CS..Hα-helixtrans-66-38.7175.8-17164.7000111Y110 R111 I150 N154L107-Y110 PolarHBondContact O-N 3.13Å; L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.34Å; L107-I150 HydrophobicContact CD1-CG2 4.37Å; L107-N154 HydrophobicContact CD2-CB 4.33Å
108G81.8Confident79.5Confident38 Ų3876.6 Ų76.639%0.39244%0.438SS..Hα-helixtrans-61-44.5172.600000113.4P104 S105 I106 R111 A112P104-G108 PolarHBondContact O-N 3.35Å; S105-G108 CarbonylContact O-C 3.59Å; S105-G108 PolarHBondContact O-N 3.08Å; I106-G108 VanDerWaalsContact C-N 3.32Å; G108-R111 PolarHBondContact O-N 2.87Å; G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 2.9Å
109K85.8Confident80.7Confident128 Ų12878.9 Ų78.956%0.55744%0.444SS*.Hα-helixtrans-65.3-42.4176-74.3161.5-176.21610111.2S105 I106 A112 G113S105-K109 WeakPolarHBondContact O-CB 3.38Å; S105-K109 VanDerWaalsContact O-CD 3.32Å; S105-K109 WeakPolarHBondContact O-CD 3.31Å; S105-K109 WeakPolarHBondContact O-CG 3.37Å; S105-K109 PolarHBondContact O-N 2.97Å; S105-K109 WeakPolarHBondContact OG-CE 3.35Å; S105-K109 PolarHBondContact OG-NZ 3.16Å; I106-K109 PolarHBondContact O-N 3.49Å; K109-A112 PolarHBondContact O-N 3.32Å; K109-G113 PolarHBondContact O-N 2.79Å
110Y87.1Confident82.4Confident134 Ų13480 Ų8053%0.52544%0.437SS..Hα-helixtrans-62.5-45.7174.7178.6-102000111.4I106 L107 A112 G113 F114 I150I106-Y110 WeakPolarHBondContact O-CB 3.39Å; I106-Y110 PolarHBondContact O-N 2.9Å; L107-Y110 PolarHBondContact O-N 3.13Å; Y110-A112 VanDerWaalsContact C-N 3.35Å; Y110-A112 PolarHBondContact O-N 3.47Å; Y110-G113 PolarHBondContact O-N 2.85Å; Y110-F114 WeakPolarHBondContact O-CB 3.39Å; Y110-F114 PolarHBondContact O-N 2.78Å; Y110-I150 HydrophobicContact CD1-CG2 4.18Å; Y110-I150 HydrophobicContact CE1-CD1 3.68Å; Y110-I150 HydrophobicContact CE1-CG1 4.1Å; Y110-I150 HydrophobicContact CE1-CG2 4.21Å
111R87.6Confident83.9Confident123 Ų12377.2 Ų77.246%0.46442%0.424SS..Hα-helixtrans-60.4-43.4175.1-177.7-175.5-177.4-88.30.8111.9L107 G108 F114 S115 M147 N151L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.34Å; G108-R111 PolarHBondContact O-N 2.87Å; R111-F114 PolarHBondContact O-N 2.76Å; R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.44Å; R111-M147 HydrophobicContact CG-CE 4.23Å; R111-M147 HydrophobicContact CG-SD 3.93Å; R111-N151 PolarHBondContact NE-OD1 3.02Å; R111-N151 PolarHBondContact NH2-OD1 3.32Å
112A88.7Confident85.4Confident50 Ų5075.4 Ų75.441%0.41342%0.417SS..Hα-helixtrans-61.1-50.8175.800000111G108 K109 Y110 F114 S115 E116G108-A112 WeakPolarHBondContact O-CB 3.37Å; G108-A112 PolarHBondContact O-N 2.9Å; K109-A112 PolarHBondContact O-N 3.32Å; Y110-A112 VanDerWaalsContact C-N 3.35Å; Y110-A112 PolarHBondContact O-N 3.47Å; A112-F114 VanDerWaalsContact C-N 3.34Å; A112-F114 PolarHBondContact O-N 3.32Å; A112-S115 WeakPolarHBondContact O-CB 3.24Å; A112-S115 PolarHBondContact O-N 2.98Å; A112-S115 VanDerWaalsContact O-N 3.11Å; A112-E116 PolarHBondContact O-N 3.49Å
113G93Very high86.9Confident37 Ų3776.9 Ų76.938%0.38141%0.409SS..Hα-helixtrans-62.7-36.917800000113.5K109 Y110 E116 C117K109-G113 PolarHBondContact O-N 2.79Å; Y110-G113 PolarHBondContact O-N 2.85Å; G113-E116 PolarHBondContact O-N 3.29Å; G113-C117 WeakPolarHBondContact O-CB 3.06Å; G113-C117 PolarHBondContact O-N 3.26Å
114F94.7Very high88.6Confident37 Ų3779.7 Ų79.716%0.16242%0.419CS..Hα-helixtrans-65.2-40.9173.5-171-84.7000111.4Y110 R111 A112 C117 M118 L143 C146 M147 I150Y110-F114 WeakPolarHBondContact O-CB 3.39Å; Y110-F114 PolarHBondContact O-N 2.78Å; R111-F114 PolarHBondContact O-N 2.76Å; A112-F114 VanDerWaalsContact C-N 3.34Å; A112-F114 PolarHBondContact O-N 3.32Å; F114-C117 PolarHBondContact O-N 2.75Å; F114-M118 WeakPolarHBondContact O-CB 3.32Å; F114-M118 PolarHBondContact O-N 3.1Å; F114-L143 WeakPolarHBondContact CE1-O 3.41Å; F114-L143 HydrophobicContact CZ-CD2 4.01Å; F114-C146 HydrophobicContact CE2-CB 4.46Å; F114-C146 HydrophobicContact CZ-CB 3.8Å; F114-M147 HydrophobicContact CD1-CB 4.26Å; F114-M147 HydrophobicContact CD1-CE 3.83Å; F114-M147 HydrophobicContact CD1-SD 3.94Å; F114-M147 HydrophobicContact CE1-CB 3.96Å; F114-I150 HydrophobicContact CD1-CD1 4.38Å; F114-I150 HydrophobicContact CD2-CD1 4.06Å; F114-I150 HydrophobicContact CE2-CD1 4.25Å; F114-I150 HydrophobicContact CG-CD1 4.13Å
115S93.4Very high90Very high40 Ų4075.9 Ų75.928%0.2839%0.393SS..Hα-helixtrans-63-43.8175.8-166.20000111.8R111 A112 M118 N119R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.44Å; A112-S115 WeakPolarHBondContact O-CB 3.24Å; A112-S115 PolarHBondContact O-N 2.98Å; A112-S115 VanDerWaalsContact O-N 3.11Å; S115-M118 PolarHBondContact O-N 2.65Å; S115-N119 WeakPolarHBondContact O-CB 3.17Å; S115-N119 VanDerWaalsContact O-CG 3.3Å; S115-N119 PolarHBondContact O-N 3.42Å; S115-N119 PolarHBondContact O-ND2 3.39Å
116E95.8Very high90.9Very high141 Ų14178 Ų7866%0.65941%0.408SS*.Hα-helixtrans-62.4-45.1176.4-72.1-179.5175.700111.4A112 G113 M118 N119 E120A112-E116 PolarHBondContact O-N 3.49Å; G113-E116 PolarHBondContact O-N 3.29Å; E116-M118 PolarHBondContact O-N 2.73Å; E116-N119 PolarHBondContact O-N 3.29Å; E116-E120 PolarHBondContact O-N 2.92Å
117C96.1Very high91.5Very high74 Ų7477.9 Ų77.950%0.541%0.412SS..Hα-helixtrans-59.7-46.8175.5179.80000112G113 F114 N119 E120 V121G113-C117 WeakPolarHBondContact O-CB 3.06Å; G113-C117 PolarHBondContact O-N 3.26Å; F114-C117 PolarHBondContact O-N 2.75Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.75Å; C117-E120 PolarHBondContact O-N 2.96Å; C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 2.89Å
118M95.4Very high91.8Very high40 Ų4077.3 Ų77.320%0.19741%0.411CS..Hα-helixtrans-61.9-40.6178-176-176.570.800112F114 S115 E116 V121 T122 L143F114-M118 WeakPolarHBondContact O-CB 3.32Å; F114-M118 PolarHBondContact O-N 3.1Å; S115-M118 PolarHBondContact O-N 2.65Å; E116-M118 PolarHBondContact O-N 2.73Å; M118-V121 PolarHBondContact O-N 3.24Å; M118-T122 WeakPolarHBondContact O-CB 3.38Å; M118-T122 PolarHBondContact O-N 3.17Å; M118-T122 PolarHBondContact O-OG1 2.87Å; M118-L143 HydrophobicContact CG-CB 4.03Å; M118-L143 HydrophobicContact CG-CD1 4.35Å; M118-L143 HydrophobicContact SD-CB 4.18Å
119N95.6Very high91.9Very high94 Ų9484.8 Ų84.850%0.50344%0.436SS..Hα-helixtrans-62.9-42.6174.8-76.2-40.5000111.3S115 E116 C117 T122 R123S115-N119 WeakPolarHBondContact O-CB 3.17Å; S115-N119 VanDerWaalsContact O-CG 3.3Å; S115-N119 PolarHBondContact O-N 3.42Å; S115-N119 PolarHBondContact O-ND2 3.39Å; E116-N119 PolarHBondContact O-N 3.29Å; C117-N119 VanDerWaalsContact C-N 3.33Å; C117-N119 PolarHBondContact O-N 2.75Å; N119-T122 WeakPolarHBondContact O-CB 3.09Å; N119-T122 PolarHBondContact O-N 3.28Å; N119-R123 WeakPolarHBondContact O-CB 3.36Å; N119-R123 PolarHBondContact O-N 3.42Å
120E96.9Very high91.7Very high92 Ų9282.7 Ų82.743%0.4345%0.451SS..Hα-helixtrans-67.4-40.5178.1-173.558.3-163.200112.1E116 C117 T122 R123 F124E116-E120 PolarHBondContact O-N 2.92Å; C117-E120 PolarHBondContact O-N 2.96Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 3.12Å; E120-R123 WeakPolarHBondContact O-CB 3.25Å; E120-R123 PolarHBondContact O-N 3.32Å; E120-R123 IonicContact OE1-CZ 3.51Å; E120-R123 IonicContact OE1-NE 3.43Å; E120-R123 PolarHBondContact OE1-NE 2.68Å; E120-R123 IonicContact OE1-NH2 3.23Å; E120-R123 PolarHBondContact OE1-NH2 3.5Å; E120-R123 IonicContact OE2-CZ 3.57Å; E120-R123 IonicContact OE2-NE 3.64Å; E120-R123 PolarHBondContact OE2-NE 3.04Å; E120-R123 IonicContact OE2-NH2 2.98Å; E120-F124 WeakPolarHBondContact O-CB 3.2Å; E120-F124 PolarHBondContact O-N 2.83Å
121V95.7Very high91.7Very high41 Ų4178.7 Ų78.725%0.24844%0.44CS..Hα-helixtrans-59.8-42.4172171.10000110.6C117 M118 F124 L125 L139 L140 L143C117-V121 WeakPolarHBondContact O-CG2 3.43Å; C117-V121 PolarHBondContact O-N 2.89Å; M118-V121 PolarHBondContact O-N 3.24Å; V121-F124 PolarHBondContact O-N 3.23Å; V121-L125 HydrophobicContact CG1-CD1 3.7Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.4Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.98Å; V121-L139 HydrophobicContact CG1-CD2 4.21Å; V121-L140 HydrophobicContact CG1-CD2 4.37Å; V121-L143 HydrophobicContact CB-CD1 4.3Å; V121-L143 HydrophobicContact CG1-CD1 3.9Å
122T93.9Very high91.8Very high49 Ų4977.8 Ų77.830%0.30145%0.445SS..Hα-helixtrans-62.2-44.5176.7-55.30000111.1M118 N119 E120 S126 L140M118-T122 WeakPolarHBondContact O-CB 3.38Å; M118-T122 PolarHBondContact O-N 3.17Å; M118-T122 PolarHBondContact O-OG1 2.87Å; N119-T122 WeakPolarHBondContact O-CB 3.09Å; N119-T122 PolarHBondContact O-N 3.28Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 3.12Å; T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.06Å; T122-S126 VanDerWaalsContact O-N 3.11Å; T122-S126 PolarHBondContact O-OG 3.01Å; T122-L140 HydrophobicContact CG2-CD1 4.31Å; T122-L140 VanDerWaalsContact OG1-CD2 3.25Å; T122-L140 WeakPolarHBondContact OG1-CD2 3.26Å
123R94.8Very high91.9Very high148 Ų14879.9 Ų79.956%0.55845%0.452SS*.Hα-helixtrans-61.7-50.3177.2-169.2-179.479.497.32.4111.3N119 E120 L125 S126 T127N119-R123 WeakPolarHBondContact O-CB 3.36Å; N119-R123 PolarHBondContact O-N 3.42Å; E120-R123 WeakPolarHBondContact O-CB 3.25Å; E120-R123 PolarHBondContact O-N 3.32Å; E120-R123 IonicContact OE1-CZ 3.51Å; E120-R123 IonicContact OE1-NE 3.43Å; E120-R123 PolarHBondContact OE1-NE 2.68Å; E120-R123 IonicContact OE1-NH2 3.23Å; E120-R123 PolarHBondContact OE1-NH2 3.5Å; E120-R123 IonicContact OE2-CZ 3.57Å; E120-R123 IonicContact OE2-NE 3.64Å; E120-R123 PolarHBondContact OE2-NE 3.04Å; E120-R123 IonicContact OE2-NH2 2.98Å; R123-L125 PolarHBondContact O-N 3.23Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 3.33Å; R123-S126 VanDerWaalsContact O-N 3.1Å; R123-T127 PolarHBondContact O-N 2.81Å; R123-T127 VanDerWaalsContact O-N 3.13Å; R123-T127 PolarHBondContact O-OG1 3.29Å
124F94.7Very high91.9Very high121 Ų12183.2 Ų83.253%0.53146%0.458SS..Hα-helixtrans-57.7-47.9178.9178.7-102000111.9E120 V121 S126 T127 C128E120-F124 WeakPolarHBondContact O-CB 3.2Å; E120-F124 PolarHBondContact O-N 2.83Å; V121-F124 PolarHBondContact O-N 3.23Å; F124-S126 PolarHBondContact O-N 3.44Å; F124-T127 PolarHBondContact O-N 2.95Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-T127 PolarHBondContact O-OG1 2.8Å; F124-C128 VanDerWaalsContact CE1-SG 3.53Å; F124-C128 VanDerWaalsContact CE2-SG 3.53Å; F124-C128 WeakPolarHBondContact CZ-SG 3.25Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 3.37Å; F124-C128 PolarHBondContact O-SG 3.42Å
125L93.1Very high91.8Very high13 Ų1385.6 Ų85.67%0.06848%0.475CS..Hα-helixtrans-67.1-20.9178.7-69171.9000113.8V121 R123 V131 R136 L139 L140V121-L125 HydrophobicContact CG1-CD1 3.7Å; V121-L125 HydrophobicContact CG1-CG 4.29Å; V121-L125 WeakPolarHBondContact O-CB 3.4Å; V121-L125 WeakPolarHBondContact O-CG 3.45Å; V121-L125 PolarHBondContact O-N 2.98Å; R123-L125 PolarHBondContact O-N 3.23Å; L125-V131 HydrophobicContact CD2-CG1 4.19Å; L125-R136 HydrophobicContact CB-CG 4.03Å; L125-R136 HydrophobicContact CD1-CG 4.05Å; L125-R136 PolarHBondContact O-NE 3.01Å; L125-R136 PolarHBondContact O-NH2 3.2Å; L125-L139 HydrophobicContact CD1-CD2 3.87Å; L125-L140 HydrophobicContact CD1-CD2 4.25Å; L125-L140 HydrophobicContact CD1-CG 4.34Å
126S88.6Confident91.7Very high89 Ų8986.3 Ų86.362%0.62247%0.472SS*.Hα-helixtrans-79.8-31.9174.9-56.90000111.8T122 R123 F124T122-S126 WeakPolarHBondContact O-CB 3.31Å; T122-S126 PolarHBondContact O-N 3.06Å; T122-S126 VanDerWaalsContact O-N 3.11Å; T122-S126 PolarHBondContact O-OG 3.01Å; R123-S126 WeakPolarHBondContact O-CB 3.49Å; R123-S126 PolarHBondContact O-N 3.33Å; R123-S126 VanDerWaalsContact O-N 3.1Å; F124-S126 PolarHBondContact O-N 3.44Å
127T89.9Confident91.6Very high100 Ų10084 Ų8461%0.61347%0.467SS*.Hα-helixtrans-89.2-19177.651.70000113.8R123 F124 E129R123-T127 PolarHBondContact O-N 2.81Å; R123-T127 VanDerWaalsContact O-N 3.13Å; R123-T127 PolarHBondContact O-OG1 3.29Å; F124-T127 PolarHBondContact O-N 2.95Å; F124-T127 VanDerWaalsContact O-N 3.15Å; F124-T127 PolarHBondContact O-OG1 2.8Å; T127-E129 PolarHBondContact O-N 3.38Å
128C86.2Confident91.6Very high34 Ų3488.6 Ų88.623%0.2347%0.474CS..  trans-80.9109177.6-79.70000111.9F124 V131F124-C128 VanDerWaalsContact CE1-SG 3.53Å; F124-C128 VanDerWaalsContact CE2-SG 3.53Å; F124-C128 WeakPolarHBondContact CZ-SG 3.25Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 3.37Å; F124-C128 PolarHBondContact O-SG 3.42Å; C128-V131 HydrophobicContact CB-CG2 4.07Å
129E82.9Confident91.6Very high196 Ų19690 Ų9092%0.91648%0.482SS*.THydrogen-bonded Turntrans-75138.6166.9-60.3-166.2138.600110.5T127T127-E129 PolarHBondContact O-N 3.38Å
130G82.3Confident91.5Very high84 Ų8487.6 Ų87.687%0.86647%0.469SS*.THydrogen-bonded Turntrans99-6.9178.500000116.3
131V86Confident91.5Very high49 Ų4985.2 Ų85.230%0.29747%0.469SS..  trans-81.4126.9171.4-177.40000110.3L125 C128 T133 R136L125-V131 HydrophobicContact CD2-CG1 4.19Å; C128-V131 HydrophobicContact CB-CG2 4.07Å; V131-T133 PolarHBondContact O-N 3.38Å; V131-R136 PolarHBondContact O-NH2 3.25Å
132N90.8Very high91.5Very high105 Ų10588.9 Ų88.956%0.56148%0.483SS*.  trans-59.7130.8178.2-172.1-59.2000111.4E134 V135 R136N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.48Å; N132-E134 WeakPolarHBondContact OD1-CB 3.26Å; N132-E134 PolarHBondContact OD1-N 3.27Å; N132-V135 HydrophobicContact CB-CB 4.47Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 PolarHBondContact O-N 3.14Å; N132-V135 VanDerWaalsContact O-N 3.1Å; N132-R136 PolarHBondContact O-N 2.78Å; N132-R136 VanDerWaalsContact O-N 3.09Å
133T89.6Confident91.6Very high93 Ų9387.9 Ų87.957%0.57148%0.476SS*.Hα-helixtrans-58.6-35.6-177.9-50.90000113.1V131 V135 R136 T137V131-T133 PolarHBondContact O-N 3.38Å; T133-V135 PolarHBondContact O-N 3.29Å; T133-R136 PolarHBondContact O-N 3.3Å; T133-T137 PolarHBondContact O-N 2.99Å; T133-T137 PolarHBondContact O-OG1 3.45Å
134E92.9Very high91.5Very high108 Ų10883 Ų8351%0.50547%0.467SS..Hα-helixtrans-61-45.3176.3-169.489.2-163.900111.2N132 T137 R138N132-E134 VanDerWaalsContact C-N 3.26Å; N132-E134 PolarHBondContact O-N 3.48Å; N132-E134 WeakPolarHBondContact OD1-CB 3.26Å; N132-E134 PolarHBondContact OD1-N 3.27Å; E134-T137 PolarHBondContact O-N 3.42Å; E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.22Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 3.97Å; E134-R138 IonicContact OE1-NH2 2.82Å; E134-R138 PolarHBondContact OE1-NH2 3.41Å
135V93Very high91.4Very high86 Ų8681 Ų8152%0.52147%0.468SS..Hα-helixtrans-67.7-41.2-179.4178.20000110.5N132 T133 T137 R138 L139N132-V135 HydrophobicContact CB-CB 4.47Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 PolarHBondContact O-N 3.14Å; N132-V135 VanDerWaalsContact O-N 3.1Å; T133-V135 PolarHBondContact O-N 3.29Å; V135-T137 PolarHBondContact O-N 3.06Å; V135-R138 PolarHBondContact O-N 3.39Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.98Å
136R91.8Very high91.3Very high55 Ų5582.1 Ų82.121%0.20848%0.477CS..Hα-helixtrans-56.1-50.6174.2-176.2-174.6-63.6108.20.3110.9L125 V131 N132 T133 L139 L140L125-R136 HydrophobicContact CB-CG 4.03Å; L125-R136 HydrophobicContact CD1-CG 4.05Å; L125-R136 PolarHBondContact O-NE 3.01Å; L125-R136 PolarHBondContact O-NH2 3.2Å; V131-R136 PolarHBondContact O-NH2 3.25Å; N132-R136 PolarHBondContact O-N 2.78Å; N132-R136 VanDerWaalsContact O-N 3.09Å; T133-R136 PolarHBondContact O-N 3.3Å; R136-L139 PolarHBondContact O-N 3.23Å; R136-L140 HydrophobicContact CG-CD1 4.13Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; R136-L140 PolarHBondContact O-N 2.97Å
137T93.3Very high91.4Very high92 Ų9278.9 Ų78.956%0.56445%0.452SS*.Hα-helixtrans-64.5-42.2-179.2-520000111.9T133 E134 V135 G141T133-T137 PolarHBondContact O-N 2.99Å; T133-T137 PolarHBondContact O-OG1 3.45Å; E134-T137 PolarHBondContact O-N 3.42Å; V135-T137 PolarHBondContact O-N 3.06Å; T137-G141 PolarHBondContact O-N 3.12Å
138R96.1Very high91.3Very high171 Ų17178.8 Ų78.865%0.64545%0.452SS*.Hα-helixtrans-63.5-43177.3-72.7179.1-169.1-174.25.8112.3E134 V135 H142E134-R138 VanDerWaalsContact O-CG 3.32Å; E134-R138 WeakPolarHBondContact O-CG 3.22Å; E134-R138 PolarHBondContact O-N 3.31Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 3.97Å; E134-R138 IonicContact OE1-NH2 2.82Å; E134-R138 PolarHBondContact OE1-NH2 3.41Å; V135-R138 PolarHBondContact O-N 3.39Å; R138-H142 WeakPolarHBondContact O-CB 3.48Å; R138-H142 PolarHBondContact O-N 2.94Å
139L95.2Very high91.2Very high69 Ų6983.6 Ų83.636%0.36147%0.471SS..Hα-helixtrans-64.9-48.7178.9177.658.3000111.5V121 L125 V135 R136 G141 H142 L143V121-L139 HydrophobicContact CG1-CD2 4.21Å; L125-L139 HydrophobicContact CD1-CD2 3.87Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.98Å; R136-L139 PolarHBondContact O-N 3.23Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3Å; L139-H142 PolarHBondContact O-N 3Å; L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.31Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.01Å
140L94.8Very high91.3Very high45 Ų4575.3 Ų75.324%0.23643%0.433CS..Hα-helixtrans-64.7-39.8178.2-66.8179000111.9V121 T122 L125 R136 H142 L143 A144V121-L140 HydrophobicContact CG1-CD2 4.37Å; T122-L140 HydrophobicContact CG2-CD1 4.31Å; T122-L140 VanDerWaalsContact OG1-CD2 3.25Å; T122-L140 WeakPolarHBondContact OG1-CD2 3.26Å; L125-L140 HydrophobicContact CD1-CD2 4.25Å; L125-L140 HydrophobicContact CD1-CG 4.34Å; R136-L140 HydrophobicContact CG-CD1 4.13Å; R136-L140 WeakPolarHBondContact O-CG 3.22Å; R136-L140 PolarHBondContact O-N 2.97Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.39Å
141G95Very high91.2Very high42 Ų4274.3 Ų74.343%0.43341%0.407SS..Hα-helixtrans-61.8-40173.700000112.6T137 L139 A144 S145T137-G141 PolarHBondContact O-N 3.12Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3Å; G141-A144 PolarHBondContact O-N 3.48Å; G141-S145 PolarHBondContact O-N 3.5Å
142H96.3Very high90.6Very high117 Ų11775.2 Ų75.254%0.54242%0.42SS..Hα-helixtrans-64.8-46.3175.4-178.664.6000112.1R138 L139 L140 A144 S145 C146R138-H142 WeakPolarHBondContact O-CB 3.48Å; R138-H142 PolarHBondContact O-N 2.94Å; L139-H142 PolarHBondContact O-N 3Å; L140-H142 VanDerWaalsContact C-N 3.33Å; L140-H142 PolarHBondContact O-N 3.43Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 3.08Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 2.99Å; H142-C146 PolarHBondContact O-N 3.4Å
143L95.4Very high89.4Confident28 Ų2876.6 Ų76.615%0.14743%0.425CS..Hα-helixtrans-61.7-40.7177.3-69.5170.9000112F114 M118 V121 L139 L140 C146 M147F114-L143 WeakPolarHBondContact CE1-O 3.41Å; F114-L143 HydrophobicContact CZ-CD2 4.01Å; M118-L143 HydrophobicContact CG-CB 4.03Å; M118-L143 HydrophobicContact CG-CD1 4.35Å; M118-L143 HydrophobicContact SD-CB 4.18Å; V121-L143 HydrophobicContact CB-CD1 4.3Å; V121-L143 HydrophobicContact CG1-CD1 3.9Å; L139-L143 HydrophobicContact CD1-CD1 4.32Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.31Å; L139-L143 WeakPolarHBondContact O-CG 3.39Å; L139-L143 PolarHBondContact O-N 3.01Å; L140-L143 PolarHBondContact O-N 3.43Å; L143-C146 PolarHBondContact O-N 2.99Å; L143-M147 PolarHBondContact O-N 3.02Å
144A92.6Very high88.1Confident45 Ų4576.9 Ų76.937%0.37242%0.423SS..Hα-helixtrans-62.7-42174.700000112.1L140 G141 H142 M147 T148L140-A144 WeakPolarHBondContact O-CB 3.44Å; L140-A144 PolarHBondContact O-N 3.39Å; G141-A144 PolarHBondContact O-N 3.48Å; H142-A144 VanDerWaalsContact C-N 3.33Å; H142-A144 PolarHBondContact O-N 3.08Å; A144-M147 WeakPolarHBondContact O-CB 3.34Å; A144-M147 PolarHBondContact O-N 3.42Å; A144-T148 PolarHBondContact O-N 3.35Å; A144-T148 VanDerWaalsContact O-N 3.07Å; A144-T148 PolarHBondContact O-OG1 2.85Å
145S93.3Very high86Confident80 Ų8081 Ų8156%0.55944%0.435SS*.Hα-helixtrans-63.3-42.8175.9-174.90000112.3G141 H142 M147 T148 Q149G141-S145 PolarHBondContact O-N 3.5Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 2.99Å; S145-M147 VanDerWaalsContact C-N 3.32Å; S145-M147 PolarHBondContact O-N 2.88Å; S145-T148 PolarHBondContact O-N 3Å; S145-Q149 PolarHBondContact O-N 3.43Å
146C92.3Very high83.8Confident36 Ų3680.5 Ų80.524%0.24343%0.433CS..Hα-helixtrans-58.2-43.5172.9-85.70000111.8F114 H142 L143 T148 Q149 I150F114-C146 HydrophobicContact CE2-CB 4.46Å; F114-C146 HydrophobicContact CZ-CB 3.8Å; H142-C146 PolarHBondContact O-N 3.4Å; L143-C146 PolarHBondContact O-N 2.99Å; C146-T148 VanDerWaalsContact C-N 3.35Å; C146-T148 PolarHBondContact O-N 3.45Å; C146-Q149 PolarHBondContact O-N 3.21Å; C146-I150 WeakPolarHBondContact O-CD1 3.44Å; C146-I150 VanDerWaalsContact O-CG1 3.28Å; C146-I150 WeakPolarHBondContact O-CG1 3.48Å; C146-I150 PolarHBondContact O-N 3.4Å
147M89.3Confident81.3Confident21 Ų2182.1 Ų82.110%0.10345%0.453CS..Hα-helixtrans-59.4-44.5175.7-175.862.4108.300111.4R111 F114 L143 A144 S145 Q149 I150 N151R111-M147 HydrophobicContact CG-CE 4.23Å; R111-M147 HydrophobicContact CG-SD 3.93Å; F114-M147 HydrophobicContact CD1-CB 4.26Å; F114-M147 HydrophobicContact CD1-CE 3.83Å; F114-M147 HydrophobicContact CD1-SD 3.94Å; F114-M147 HydrophobicContact CE1-CB 3.96Å; L143-M147 PolarHBondContact O-N 3.02Å; A144-M147 WeakPolarHBondContact O-CB 3.34Å; A144-M147 PolarHBondContact O-N 3.42Å; S145-M147 VanDerWaalsContact C-N 3.32Å; S145-M147 PolarHBondContact O-N 2.88Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.41Å; M147-I150 PolarHBondContact O-N 3.37Å; M147-N151 PolarHBondContact O-N 3.03Å; M147-N151 PolarHBondContact O-ND2 3.3Å
148T87.6Confident78.6Confident99 Ų9985.9 Ų85.961%0.60746%0.464SS*.Hα-helixtrans-61.2-39.9176.9-54.40000112.1A144 S145 C146 N151 A152A144-T148 PolarHBondContact O-N 3.35Å; A144-T148 VanDerWaalsContact O-N 3.07Å; A144-T148 PolarHBondContact O-OG1 2.85Å; S145-T148 PolarHBondContact O-N 3Å; C146-T148 VanDerWaalsContact C-N 3.35Å; C146-T148 PolarHBondContact O-N 3.45Å; T148-N151 PolarHBondContact O-N 3.27Å; T148-A152 PolarHBondContact O-N 3.46Å
149Q85.4Confident76.1Confident134 Ų13485.2 Ų85.263%0.62647%0.468SS*.Hα-helixtrans-64.7-42176.2-174.9179.774.600112.3S145 C146 M147 N151 A152 M153S145-Q149 PolarHBondContact O-N 3.43Å; C146-Q149 PolarHBondContact O-N 3.21Å; M147-Q149 VanDerWaalsContact C-N 3.32Å; M147-Q149 PolarHBondContact O-N 3.41Å; Q149-N151 VanDerWaalsContact C-N 3.26Å; Q149-N151 PolarHBondContact O-N 3.09Å; Q149-A152 PolarHBondContact O-N 2.94Å; Q149-M153 PolarHBondContact O-N 3.47Å; Q149-M153 VanDerWaalsContact O-N 3.17Å
150I83.9Confident73.2Confident23 Ų2390.1 Ų90.112%0.11849%0.489CS..Hα-helixtrans-60.5-38.4175.5-66.3159.7000110.7L107 Y110 F114 C146 M147L107-I150 HydrophobicContact CD1-CG2 4.37Å; Y110-I150 HydrophobicContact CD1-CG2 4.18Å; Y110-I150 HydrophobicContact CE1-CD1 3.68Å; Y110-I150 HydrophobicContact CE1-CG1 4.1Å; Y110-I150 HydrophobicContact CE1-CG2 4.21Å; F114-I150 HydrophobicContact CD1-CD1 4.38Å; F114-I150 HydrophobicContact CD2-CD1 4.06Å; F114-I150 HydrophobicContact CE2-CD1 4.25Å; F114-I150 HydrophobicContact CG-CD1 4.13Å; C146-I150 WeakPolarHBondContact O-CD1 3.44Å; C146-I150 VanDerWaalsContact O-CG1 3.28Å; C146-I150 WeakPolarHBondContact O-CG1 3.48Å; C146-I150 PolarHBondContact O-N 3.4Å; M147-I150 PolarHBondContact O-N 3.37Å
151N79.8Confident70.4Confident63 Ų6396.3 Ų96.334%0.33752%0.516SS..Hα-helixtrans-70.1-37.7175.5-73.9-80.2000112.6R111 M147 T148 Q149 M153 N154R111-N151 PolarHBondContact NE-OD1 3.02Å; R111-N151 PolarHBondContact NH2-OD1 3.32Å; M147-N151 PolarHBondContact O-N 3.03Å; M147-N151 PolarHBondContact O-ND2 3.3Å; T148-N151 PolarHBondContact O-N 3.27Å; Q149-N151 VanDerWaalsContact C-N 3.26Å; Q149-N151 PolarHBondContact O-N 3.09Å; N151-M153 VanDerWaalsContact C-N 3.28Å; N151-M153 PolarHBondContact O-N 3.04Å; N151-N154 WeakPolarHBondContact O-CB 3.24Å; N151-N154 PolarHBondContact O-N 2.89Å
152A74.7Confident67.5Low67 Ų67101.6 Ų101.655%0.55453%0.53SS*.Hα-helixtrans-66.1-28.8179.100000113.1T148 Q149 N154 Y155T148-A152 PolarHBondContact O-N 3.46Å; Q149-A152 PolarHBondContact O-N 2.94Å; A152-N154 PolarHBondContact O-N 3.27Å; A152-Y155 PolarHBondContact O-N 3.1Å
153M64.9Low64.9Low135 Ų135104.4 Ų104.467%0.66554%0.543SS*.THydrogen-bonded Turntrans-64.6-16.6176.5-155.49687.700113.3Q149 N151Q149-M153 PolarHBondContact O-N 3.47Å; Q149-M153 VanDerWaalsContact O-N 3.17Å; N151-M153 VanDerWaalsContact C-N 3.28Å; N151-M153 PolarHBondContact O-N 3.04Å
154N62.2Low62Low99 Ų99110.9 Ų110.953%0.52957%0.573SS.*THydrogen-bonded Turntrans-80.4-16.9-178.7-158-41.6000113L107 N151 A152 P156L107-N154 HydrophobicContact CD2-CB 4.33Å; N151-N154 WeakPolarHBondContact O-CB 3.24Å; N151-N154 PolarHBondContact O-N 2.89Å; A152-N154 PolarHBondContact O-N 3.27Å; N154-P156 WeakPolarHBondContact O-CD 3.37Å
155Y49.5Very low59.6Low194 Ų194116.6 Ų116.676%0.76160%0.596SS**  trans-98.496.8173-109.3-94.3000109.9A152 S157A152-Y155 PolarHBondContact O-N 3.1Å; Y155-S157 VanDerWaalsContact C-N 3.31Å; Y155-S157 PolarHBondContact O-N 2.74Å
156P46.1Very low57.4Low75 Ų75118.2 Ų118.249%0.48761%0.605SS.*  trans-61.8108.5154.327.9-29000105.3N154 Q158N154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-Q158 VanDerWaalsContact C-N 3.3Å; P156-Q158 PolarHBondContact O-N 2.9Å
157S40.2Very low55.3Low89 Ų89122.7 Ų122.762%0.62263%0.633SS**  trans-53.996.5170.6-70.70000108.9Y155 H159Y155-S157 VanDerWaalsContact C-N 3.31Å; Y155-S157 PolarHBondContact O-N 2.74Å; S157-H159 PolarHBondContact O-N 3.43Å
158Q36.5Very low53Low172 Ų172126.6 Ų126.680%0.80467%0.669SS**  trans-71.659.6156.5-74.5-74.4-1.800107.9P156 Q160P156-Q158 VanDerWaalsContact C-N 3.3Å; P156-Q158 PolarHBondContact O-N 2.9Å; Q158-Q160 PolarHBondContact O-N 2.98Å; Q158-Q160 VanDerWaalsContact O-N 3.07Å
159H42.9Very low50.8Low157 Ų157127.2 Ų127.273%0.72768%0.684SS**  trans-79.688.5162.1-79.1-61.2000106.8S157 H161S157-H159 PolarHBondContact O-N 3.43Å; H159-H161 PolarHBondContact O-N 3.2Å
160Q34.1Very low48.4Very low172 Ų172124.2 Ų124.280%0.80469%0.689SS**  trans-45125.2155-78.9-156.2-41.500108.4Q158 Q162Q158-Q160 PolarHBondContact O-N 2.98Å; Q158-Q160 VanDerWaalsContact O-N 3.07Å; Q160-Q162 PolarHBondContact O-N 3.04Å
161H37.4Very low46.3Very low174 Ų174128.2 Ų128.281%0.80672%0.719SS**  trans-65.287.5163.2-83.957.6000108.5H159H159-H161 PolarHBondContact O-N 3.2Å
162Q34Very low44.4Very low154 Ų154130.7 Ų130.772%0.7274%0.737SS**  trans-89.6108.2155.6-136.9-167.9400107.3Q160 Q164Q160-Q162 PolarHBondContact O-N 3.04Å; Q162-Q164 PolarHBondContact O-N 2.86Å; Q162-Q164 VanDerWaalsContact O-N 3.11Å
163H40.6Very low43Very low176 Ų176136.2 Ų136.282%0.81575%0.751SS**  trans-62.4107.2170.9-78.773.8000108.8
164Q35.7Very low42.2Very low164 Ų164135.9 Ų135.977%0.76676%0.758SS**  trans-105.6123.1164.6-75.7-178.718.200109.2Q162Q162-Q164 PolarHBondContact O-N 2.86Å; Q162-Q164 VanDerWaalsContact O-N 3.11Å
165L41.7Very low41Very low164 Ų164137.1 Ų137.186%0.85978%0.775SS**PPolyproline II helixtrans-72.5155.8169.9-77.1131.4000110.6
166P47Very low40.6Very low115 Ų115137.3 Ų137.375%0.74778%0.78SS**PPolyproline II helixtrans-77.2150.8-17330.9-33.5000112.8
167P47.5Very low40.2Very low129 Ų129138.3 Ų138.384%0.83879%0.794SS**PPolyproline II helixtrans-87.3133.617533.6-28.8000111.1
168A40.5Very low40.2Very low104 Ų104143.2 Ų143.286%0.8681%0.808SS**PPolyproline II helixtrans-81.5150.8164.600000110.5
169A42.6Very low39.9Very low112 Ų112141.2 Ų141.293%0.92681%0.813SS**PPolyproline II helixtrans-59.7153.5-170.300000116.3
170G35.7Very low39.5Very low71 Ų71142.2 Ų142.273%0.73282%0.82SS**  trans175.886.116700000114.9
171S38.8Very low39.7Very low107 Ų107139.7 Ų139.775%0.74882%0.816SS**  trans34.7126.5146.358.90000124
172T39.4Very low39.4Very low115 Ų115140.2 Ų140.271%0.70682%0.819SS**  trans63.5116.1133.558.70000120.6
173H45.3Very low39.5Very low183 Ų183139.7 Ų139.785%0.84782%0.819SS**  -178.2141.6121.3-85.8-69.2000109.5
174P49.5Very low39.2Very low127 Ų127137 Ų13783%0.82582%0.818SS**  trans-95.4136.4173.334.7-26.3000110.6
175S36.9Very low39Very low126 Ų126134.6 Ų134.688%0.88182%0.819SS**  trans-138.3126.1159.4-165.30000111.1
176F40.9Very low38.6Very low198 Ų198132 Ų13287%0.86882%0.815SS**  trans-75131.6178.6-160-96000109.5
177A36.4Very low38Very low95 Ų95132.2 Ų132.279%0.78582%0.819SS**  trans-177.1114.5146.300000110
178Q40.4Very low37.8Very low192 Ų192131.3 Ų131.390%0.89781%0.813SS**  trans-71.3144.3162.1-63.3-157.6-32.300109.4
179S31Very low37.5Very low130 Ų130135.5 Ų135.591%0.90981%0.814SS**  trans-113.4120.6164.7-145.20000109.8
180M35.1Very low37Very low178 Ų178136.4 Ų136.488%0.87781%0.808SS**  trans-78.9151.3-174.3179.2-170.6-103.200111.2
181V38Very low37Very low120 Ų120141.4 Ų141.473%0.72782%0.817SS**  trans-46.9136168179.50000112.5
182Q30.1Very low37.1Very low185 Ų185141.7 Ų141.786%0.86482%0.817SS**  trans-146.3112.7157.2-152.1166.2-6.300112.6
183I36.2Very low36.8Very low142 Ų142145.6 Ų145.673%0.72883%0.829SS**  trans-81.8146.9165.9-59.8162.4000107.6
184P35.4Very low36.6Very low121 Ų121144.2 Ų144.279%0.78683%0.828SS**  trans-124.9129.8137.37.213.9000112.6
185S31.3Very low36.1Very low112 Ų112143.7 Ų143.778%0.78383%0.825SS**  trans-70.7135.3164.4167.30000110.4
186S32.7Very low36Very low111 Ų111142.8 Ų142.878%0.77683%0.825SS**  trans-168.5136.7145.938.90000112.1
187S34.2Very low35.6Very low118 Ų118138.8 Ų138.883%0.82582%0.822SS**  trans-144.8168.3164.1-68.40000105.8
188P43.9Very low35.4Very low110 Ų110140.5 Ų140.571%0.71483%0.827SS**  cis-122.7164-34.434.2-18.5000111
189Q32.8Very low35.2Very low192 Ų192141.4 Ų141.490%0.89783%0.828SS**  trans-136.3128.1164-73.3-71.8-59.700110
190V34Very low35.1Very low131 Ų131139.2 Ų139.279%0.79483%0.825SS**  trans-84.1140.8179.2-82.40000110.7
191L34.5Very low34.8Very low176 Ų176134.7 Ų134.792%0.92182%0.824SS**  trans-156.5144.2143.7-86.9-175.5000110.9
192P41.5Very low34.8Very low114 Ų114134.7 Ų134.774%0.7483%0.83SS**  trans-103.9150.8-173.937.6-29.3000113.3
193M33.8Very low35.7Very low197 Ų197131.6 Ų131.697%0.9783%0.826SS**  trans-150.8143.4156-110.6-17481.200113.2
194N40.5Very low36.3Very low153 Ų153131 Ų13182%0.81883%0.831SS**PPolyproline II helixtrans-68.8165.9-159.1-108.316.3000117.8
195P38.1Very low36.4Very low116 Ų116129.7 Ų129.775%0.75383%0.83SS**PPolyproline II helixtrans-85.1141.8172.834.7-30.6000112.1
196A34.4Very low36.4Very low108 Ų108129.6 Ų129.689%0.89383%0.83SS**PPolyproline II helixtrans-100.9126.716900000110.3
197S32.4Very low36.4Very low114 Ų114132 Ų13280%0.79783%0.833SS**PPolyproline II helixtrans-94.2140.3-179.2-173.30000110
198C33.4Very low36.8Very low131 Ų131132.2 Ų132.289%0.88583%0.832SS**  trans-133.3120.4159.552.10000110.2
199K35.6Very low36.4Very low211 Ų211132.2 Ų132.292%0.91783%0.834SS**  trans-86.7152.1173.7-88.5179.1167-175.50110.2
200G29.3Very low36.9Very low84 Ų84130.2 Ų130.287%0.86683%0.83SS**  trans143.7113.7132.300000116.4
201G29.1Very low37.5Very low83 Ų83127.8 Ų127.886%0.85682%0.823SS**  trans139.395.714900000116.2
202S38.3Very low38.3Very low120 Ų120122 Ų12284%0.83980%0.795SS**  trans-105.8157.4154-52.30000108.3
203P47.7Very low38.8Very low120 Ų120124.8 Ų124.878%0.77980%0.796SS**  -154.7-158.186.437.7-14.3000113.4
204P48.4Very low39.6Very low129 Ų129120 Ų12084%0.83878%0.777SS**  -118.7-175.8-70.436.6-20000113.8
205A38.5Very low40.1Very low93 Ų93122.5 Ų122.577%0.76978%0.776SS**  trans-75.9151.5-163.600000118.7
206S32.1Very low41Very low111 Ų111120.1 Ų120.178%0.77677%0.774SS**  177.5125.8128.141.40000114.6
207L31.4Very low42.3Very low162 Ų162117.3 Ų117.385%0.84876%0.755SS**  trans74.7154.2151.3-68.7163.1000120.8S209L207-S209 PolarHBondContact O-N 3.35Å
208P42.7Very low43.6Very low122 Ų122116.1 Ų116.179%0.79274%0.735SS**  trans-86.4119.1-139.434-32000111.3
209S36.8Very low45.3Very low110 Ų110114.1 Ų114.177%0.76971%0.713SS**  trans-110.7104.4172.4-78.30000109.2L207L207-S209 PolarHBondContact O-N 3.35Å
210D41.5Very low46.7Very low150 Ų150106.3 Ų106.380%0.80268%0.681SS**  trans-54142.1163.6-136.3-52.3000109.6T212D210-T212 PolarHBondContact O-N 3.16Å; D210-T212 PolarHBondContact O-OG1 2.84Å
211A47.5Very low48.7Very low79 Ų79105 Ų10565%0.65366%0.656SS**  trans-57.196.5-151.800000114.2K213A211-K213 PolarHBondContact O-N 3.5Å
212T52.3Low50.1Low54 Ų54105 Ų10533%0.33164%0.64SS.*  trans-90.584.9170.5-36.70000109.3D210 V214 Q219 I220 V221D210-T212 PolarHBondContact O-N 3.16Å; D210-T212 PolarHBondContact O-OG1 2.84Å; T212-V214 PolarHBondContact O-N 3.5Å; T212-Q219 HydrophobicContact CG2-CG 3.3Å; T212-I220 VanDerWaalsContact CG2-O 3.27Å; T212-I220 WeakPolarHBondContact CG2-O 3.07Å; T212-V221 HydrophobicContact CG2-CG2 4.47Å
213K51.3Low51.4Low174 Ų174101.1 Ų101.176%0.75762%0.616SS**  trans-73.9117.6173.3-86.8-175174.9179.60109.6A211A211-K213 PolarHBondContact O-N 3.5Å
214V51.3Low51.9Low96 Ų96103.1 Ų103.158%0.58263%0.626SS**EExtended strand (participates in β ladder)trans-84.5120.7171.6-179.60000108.4T212T212-V214 PolarHBondContact O-N 3.5Å
215Y49.5Very low52.7Low205 Ų205101.6 Ų101.680%0.80461%0.611SS**EExtended strand (participates in β ladder)trans-119.9121.6171.8-162.8-94.3000108.3G217 F218Y215-G217 VanDerWaalsContact C-N 3.3Å; Y215-G217 PolarHBondContact O-N 2.82Å; Y215-F218 PolarHBondContact O-N 3.33Å
216G57.3Low54Low67 Ų67100 Ų10069%0.69160%0.604SS**THydrogen-bonded Turntrans6523.1174.900000116.4F218G216-F218 WeakPolarHBondContact O-CD2 3.47Å; G216-F218 WeakPolarHBondContact O-CE2 3.47Å
217G62.5Low55.6Low48 Ų4898.6 Ų98.650%0.49559%0.585SS.*THydrogen-bonded Turntrans89.83.2178.300000115.4Y215 P233Y215-G217 VanDerWaalsContact C-N 3.3Å; Y215-G217 PolarHBondContact O-N 2.82Å; G217-P233 WeakPolarHBondContact O-CD 3.21Å; G217-P233 WeakPolarHBondContact O-CG 3.2Å
218F58.1Low57.3Low90 Ų9097.1 Ų97.140%0.39557%0.572SS.*EExtended strand (participates in β ladder)trans-105137.9175.4-56-80.7000110.5Y215 G216 I232Y215-F218 PolarHBondContact O-N 3.33Å; G216-F218 WeakPolarHBondContact O-CD2 3.47Å; G216-F218 WeakPolarHBondContact O-CE2 3.47Å; F218-I232 HydrophobicContact CD1-CB 4.25Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CD1-CG2 4.35Å; F218-I232 HydrophobicContact CE1-CB 4.24Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.8Å; F218-I232 HydrophobicContact CE1-CG2 3.91Å
219Q69.1Low58.6Low89 Ų8992.2 Ų92.242%0.41654%0.542SS..EExtended strand (participates in β ladder)trans-96.5124.2178-172.4179.823.700109.2T212 V221 L231T212-Q219 HydrophobicContact CG2-CG 3.3Å; Q219-V221 HydrophobicContact CG-CG2 4.5Å; Q219-L231 HydrophobicContact CB-CB 4.19Å; Q219-L231 PolarHBondContact N-O 2.9Å; Q219-L231 VanDerWaalsContact N-O 3.14Å; Q219-L231 PolarHBondContact O-N 3.18Å
220I66.5Low60.2Low47 Ų4791.2 Ų91.224%0.24152%0.524CS..EExtended strand (participates in β ladder)trans-102.5121.1-177.9-59.3173.6000108.7T212 F228 A229 F230T212-I220 VanDerWaalsContact CG2-O 3.27Å; T212-I220 WeakPolarHBondContact CG2-O 3.07Å; I220-F228 HydrophobicContact CG2-CB 4.15Å; I220-F228 HydrophobicContact CG2-CD1 4.06Å; I220-A229 WeakPolarHBondContact CA-O 3.45Å; I220-F230 HydrophobicContact CD1-CD1 4.1Å; I220-F230 HydrophobicContact CD1-CE1 3.57Å; I220-F230 HydrophobicContact CD1-CZ 4.41Å; I220-F230 HydrophobicContact CG1-CD1 3.65Å; I220-F230 HydrophobicContact CG1-CE1 3.64Å
221V71.6Confident61.4Low57 Ų5787 Ų8735%0.34550%0.501SS..EExtended strand (participates in β ladder)trans-115.5127.8179.4178.50000109.6T212 Q219 A223 A229 L231T212-V221 HydrophobicContact CG2-CG2 4.47Å; Q219-V221 HydrophobicContact CG-CG2 4.5Å; V221-A223 PolarHBondContact O-N 3.2Å; V221-A229 PolarHBondContact N-O 3.15Å; V221-A229 PolarHBondContact O-N 2.96Å; V221-L231 HydrophobicContact CB-CD1 3.99Å; V221-L231 HydrophobicContact CG2-CD1 3.37Å
222P58Low62.2Low81 Ų8188.1 Ų88.153%0.52650%0.495SS..EExtended strand (participates in β ladder)trans-70.4127.6172.927.5-30.8000110.1
223A65.8Low62.2Low40 Ų4089.9 Ų89.933%0.33151%0.507SS..  trans-87.6156.4172.500000110.7V221 D225 G226 Q227V221-A223 PolarHBondContact O-N 3.2Å; A223-D225 VanDerWaalsContact CB-OD1 3.22Å; A223-D225 WeakPolarHBondContact CB-OD1 3.49Å; A223-D225 PolarHBondContact O-N 3.34Å; A223-G226 PolarHBondContact O-N 3.23Å; A223-Q227 WeakPolarHBondContact CB-O 3.42Å; A223-Q227 PolarHBondContact N-O 2.88Å
224T58Low62.1Low161 Ų16185.8 Ų85.899%0.98849%0.494SS*.THydrogen-bonded Turntrans-65.6-8.4-175.551.10000114.3
225D65.7Low62.2Low97 Ų9786.4 Ų86.452%0.51951%0.509SS..THydrogen-bonded Turntrans-101.98177.567.2-15.2000113.2A223 Q227A223-D225 VanDerWaalsContact CB-OD1 3.22Å; A223-D225 WeakPolarHBondContact CB-OD1 3.49Å; A223-D225 PolarHBondContact O-N 3.34Å; D225-Q227 VanDerWaalsContact C-N 3.27Å; D225-Q227 PolarHBondContact O-N 3.34Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.45Å; D225-Q227 PolarHBondContact OD1-N 3.15Å; D225-Q227 VanDerWaalsContact OD1-N 3.09Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.4Å; D225-Q227 PolarHBondContact OD2-NE2 2.79Å
226G64.7Low62.1Low61 Ų6180.4 Ų80.463%0.62950%0.502SS*.SBendtrans803.9-178.300000114.2A223A223-G226 PolarHBondContact O-N 3.23Å
227Q66Low61.8Low81 Ų8184.9 Ų84.938%0.37950%0.503SS..  trans-83.6154.1171.6-60.6-170.55500111.2A223 D225A223-Q227 WeakPolarHBondContact CB-O 3.42Å; A223-Q227 PolarHBondContact N-O 2.88Å; D225-Q227 VanDerWaalsContact C-N 3.27Å; D225-Q227 PolarHBondContact O-N 3.34Å; D225-Q227 WeakPolarHBondContact OD1-CB 3.45Å; D225-Q227 PolarHBondContact OD1-N 3.15Å; D225-Q227 VanDerWaalsContact OD1-N 3.09Å; D225-Q227 WeakPolarHBondContact OD2-CG 3.4Å; D225-Q227 PolarHBondContact OD2-NE2 2.79Å
228F68.1Low60.9Low130 Ų13086.4 Ų86.457%0.5751%0.511SS*.EExtended strand (participates in β ladder)trans-105.1126.1176.4-62.7-83.5000109.7I220I220-F228 HydrophobicContact CG2-CB 4.15Å; I220-F228 HydrophobicContact CG2-CD1 4.06Å
229A69.1Low60.3Low20 Ų2088.2 Ų88.217%0.16553%0.532CS..EExtended strand (participates in β ladder)trans-99.6136.3174.400000110.2I220 V221I220-A229 WeakPolarHBondContact CA-O 3.45Å; V221-A229 PolarHBondContact N-O 3.15Å; V221-A229 PolarHBondContact O-N 2.96Å
230F71Confident59.4Low88 Ų8891.6 Ų91.639%0.38655%0.553SS.*EExtended strand (participates in β ladder)trans-100.4120.7173.2-63.3-93.4000109.4I220I220-F230 HydrophobicContact CD1-CD1 4.1Å; I220-F230 HydrophobicContact CD1-CE1 3.57Å; I220-F230 HydrophobicContact CD1-CZ 4.41Å; I220-F230 HydrophobicContact CG1-CD1 3.65Å; I220-F230 HydrophobicContact CG1-CE1 3.64Å
231L65.9Low58.6Low61 Ų6191.2 Ų91.232%0.31956%0.56SS.*EExtended strand (participates in β ladder)trans-91.2120.3169-69.394.1000109.3Q219 V221Q219-L231 HydrophobicContact CB-CB 4.19Å; Q219-L231 PolarHBondContact N-O 2.9Å; Q219-L231 VanDerWaalsContact N-O 3.14Å; Q219-L231 PolarHBondContact O-N 3.18Å; V221-L231 HydrophobicContact CB-CD1 3.99Å; V221-L231 HydrophobicContact CG2-CD1 3.37Å
232I65.1Low57.5Low104 Ų10494 Ų9453%0.53358%0.579SS.*PPolyproline II helixtrans-95.2116.9173.5-55.7179.4000107.8F218 N234F218-I232 HydrophobicContact CD1-CB 4.25Å; F218-I232 HydrophobicContact CD1-CG1 3.77Å; F218-I232 HydrophobicContact CD1-CG2 4.35Å; F218-I232 HydrophobicContact CE1-CB 4.24Å; F218-I232 HydrophobicContact CE1-CD1 4.36Å; F218-I232 HydrophobicContact CE1-CG1 3.8Å; F218-I232 HydrophobicContact CE1-CG2 3.91Å; I232-N234 PolarHBondContact O-N 3.23Å; I232-N234 VanDerWaalsContact O-N 3.16Å
233P50.8Low57.3Low90 Ų9095.3 Ų95.358%0.58459%0.585SS**PPolyproline II helixtrans-63.2117.2173.7-18.530.7000109.9G217 A235G217-P233 WeakPolarHBondContact O-CD 3.21Å; G217-P233 WeakPolarHBondContact O-CG 3.2Å; P233-A235 PolarHBondContact O-N 3.23Å
234N50.3Low56.7Low88 Ų8899.9 Ų99.947%0.47160%0.603SS.*  trans-77.386.5-177.7-169.22.9000110.2I232 A236 F237I232-N234 PolarHBondContact O-N 3.23Å; I232-N234 VanDerWaalsContact O-N 3.16Å; N234-A236 PolarHBondContact O-N 2.93Å; N234-F237 PolarHBondContact OD1-N 3.45Å
235A53.5Low56.5Low109 Ų10995.1 Ų95.190%0.90158%0.575SS**SBendtrans-818.5178.500000114.1P233P233-A235 PolarHBondContact O-N 3.23Å
236A46.9Very low56Low80 Ų8094.7 Ų94.766%0.66158%0.575SS**SBendtrans-130.6-0.9-173.600000116.3N234N234-A236 PolarHBondContact O-N 2.93Å
237F50.2Low55.6Low160 Ų16098.3 Ų98.370%0.70257%0.571SS**SBendtrans-133.5138173.4-69-90.3000111.3N234N234-F237 PolarHBondContact OD1-N 3.45Å
238A44.2Very low54.6Low80 Ų8098.1 Ų98.166%0.66158%0.583SS**  trans-33.1155.5-178.300000116.1N240 G241A238-N240 PolarHBondContact O-N 3.26Å; A238-G241 PolarHBondContact O-N 3.3Å
239P46.7Very low53.4Low129 Ų12998.9 Ų98.984%0.83859%0.593SS**THydrogen-bonded Turntrans-63.15.4-164.423.7-34.6000117.3
240N48.3Very low52Low160 Ų160105.4 Ų105.486%0.85663%0.625SS**THydrogen-bonded Turntrans-131.825.8-177.4-66.5-42.1000113.9A238A238-N240 PolarHBondContact O-N 3.26Å
241G51.3Low50.5Low38 Ų38108.9 Ų108.939%0.39265%0.645SS.*PPolyproline II helixtrans-81.6145.1176.900000113.7A238 V243A238-G241 PolarHBondContact O-N 3.3Å; G241-V243 PolarHBondContact O-N 2.96Å
242P48.3Very low49.4Very low117 Ų117110.6 Ų110.676%0.7666%0.662SS**PPolyproline II helixtrans-66133.717926.2-32.2000111.6I244P242-I244 PolarHBondContact O-N 3.1Å
243V54.3Low48.1Very low107 Ų107111.9 Ų111.965%0.64868%0.675SS**PPolyproline II helixtrans-73.7122.6173179.20000108.2G241 P245G241-V243 PolarHBondContact O-N 2.96Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 2.92Å
244I52.7Low47.8Very low137 Ų137113.9 Ų113.970%0.70369%0.688SS**  trans-96.7107.4178.5-55.6177000108.2P242P242-I244 PolarHBondContact O-N 3.1Å
245P54.1Low47.2Very low61 Ų61115.6 Ų115.640%0.39670%0.701SS.*  trans-71.8131.6173.128.3-32000110V243 Y247V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 2.92Å; P245-Y247 HydrophobicContact CB-CE1 4.41Å; P245-Y247 HydrophobicContact CB-CE2 4.04Å; P245-Y247 HydrophobicContact CG-CE2 4.02Å; P245-Y247 WeakPolarHBondContact CG-OH 3.36Å
246V53.4Low46.7Very low87 Ų87116.1 Ų116.153%0.52770%0.695SS.*EExtended strand (participates in β ladder)trans-110.2117.9174.4-177.70000108.1
247Y56.9Low46.3Very low137 Ų137118.7 Ų118.754%0.53770%0.702SS.*EExtended strand (participates in β ladder)trans-96.8129.9179.6-50.7-85.6000109.8P245 N249P245-Y247 HydrophobicContact CB-CE1 4.41Å; P245-Y247 HydrophobicContact CB-CE2 4.04Å; P245-Y247 HydrophobicContact CG-CE2 4.02Å; P245-Y247 WeakPolarHBondContact CG-OH 3.36Å; Y247-N249 PolarHBondContact O-N 3.33Å
248A45.7Very low45.7Very low77 Ų77116.9 Ų116.964%0.63671%0.707SS**  trans-85.898.9173.100000109.1N250A248-N250 PolarHBondContact O-N 3.34Å
249N43.6Very low45.2Very low146 Ų146118 Ų11878%0.78172%0.716SS**  trans-81.4116.6-179.5-166.224.5000110.9Y247Y247-N249 PolarHBondContact O-N 3.33Å
250N38.9Very low44.5Very low157 Ų157116.4 Ų116.484%0.8471%0.714SS**  trans-105101.4176.8-139.831.6000109.6A248A248-N250 PolarHBondContact O-N 3.34Å
251M38.5Very low44Very low162 Ų162115.4 Ų115.480%0.79871%0.713SS**SBendtrans71.3123.3158.2-152.666.3122.500119.8
252S42.9Very low43.4Very low96 Ų96118.8 Ų118.867%0.67173%0.731SS**  trans66.198.6151.7-62.50000120.7
253T39.3Very low43.2Very low132 Ų132119.3 Ų119.381%0.8173%0.734SS**  trans-177.7144.7133.130.70000110.4
254P44.3Very low42.1Very low131 Ų131117.8 Ų117.885%0.85174%0.74SS**  trans-91.9125.2176.733.1-26.7000111.3
255V38.3Very low41.4Very low125 Ų125116 Ų11676%0.75875%0.746SS**  trans-137.1142.9173.9-165.10000107.7
256P41.6Very low40.9Very low120 Ų120119.1 Ų119.178%0.77977%0.766SS**PPolyproline II helixtrans-85.6148.1-147.228.1-22000114.1
257V39.3Very low40.5Very low133 Ų133120.8 Ų120.881%0.80678%0.782SS**PPolyproline II helixtrans-85131.1174.1-166.80000108.8
258P38.2Very low39.6Very low122 Ų122118.3 Ų118.379%0.79279%0.789SS**PPolyproline II helixtrans-70.9139.2171.510.6-0.6000110.7
259A32.5Very low39.1Very low103 Ų103121.6 Ų121.685%0.85180%0.796SS**PPolyproline II helixtrans-57127.5-16800000114.9
260A33.2Very low39.3Very low97 Ų97120.9 Ų120.980%0.80280%0.797SS**PPolyproline II helixtrans-89.1119.8153.400000108.6S262A260-S262 PolarHBondContact O-N 3.01Å
261V36.4Very low39.2Very low138 Ų138120.4 Ų120.484%0.83680%0.795SS**PPolyproline II helixtrans-64.7119.9172.138.50000110.1
262S39.2Very low39.8Very low109 Ų109117.8 Ų117.876%0.76279%0.793SS**PPolyproline II helixtrans-96.9156.6157.8-82.30000109.8A260A260-S262 PolarHBondContact O-N 3.01Å
263P43.4Very low39.9Very low128 Ų128117.9 Ų117.983%0.83179%0.789SS**  -137.5146.2119.235.1-23000109.8
264G31.8Very low40.4Very low75 Ų75123.4 Ų123.477%0.77380%0.795SS**  cis171.7136.76.900000104.6
265A37.8Very low40.8Very low100 Ų100126.5 Ų126.583%0.82679%0.79SS**  trans-101.4157.3173.800000109.6
266P44.1Very low41.7Very low126 Ų126126.5 Ų126.582%0.81879%0.792SS**  trans-106.6132.2146.831.9-21.9000110.7
267S44.5Very low42.2Very low122 Ų122130.6 Ų130.685%0.85379%0.792SS**  trans-61.2145168.8-60.70000112.2
268A39.3Very low42.4Very low85 Ų85130.5 Ų130.570%0.70279%0.792SS**  164.2147119.400000113.1
269N33.4Very low42.6Very low146 Ų146130.9 Ų130.978%0.78179%0.792SS**  trans82103.5154-66.6-21.4000119.8D271N269-D271 PolarHBondContact O-N 3.34Å
270T48.1Very low43.1Very low131 Ų131132.4 Ų132.480%0.80479%0.788SS**  -13.5117.1129.553.80000114.2
271D36.6Very low43.7Very low148 Ų148134.5 Ų134.579%0.79179%0.787SS**  -164.6144125.5-160-117.9000111.1N269 V273N269-D271 PolarHBondContact O-N 3.34Å; D271-V273 PolarHBondContact O-N 3.28Å
272S51.9Low44.2Very low107 Ų107134.3 Ų134.375%0.74878%0.784SS**  trans-66.8114.9179.3-68.20000111.8
273V44.9Very low44.5Very low97 Ų97136 Ų13659%0.58879%0.786SS**  trans-139.180.7156.7176.10000109D271 R275D271-V273 PolarHBondContact O-N 3.28Å; V273-R275 HydrophobicContact CG1-CB 4.14Å; V273-R275 HydrophobicContact CG1-CG 3.52Å; V273-R275 PolarHBondContact O-N 2.73Å
274W49.3Very low44.6Very low249 Ų249136.6 Ų136.694%0.94378%0.783SS**  trans-63.1116.3146.2-95.292.2000107.3
275R53.6Low45.6Very low195 Ų195141.3 Ų141.374%0.73678%0.783SS**  trans-121115.4164.8-91176.6-164.8-87.71.9108.3V273V273-R275 HydrophobicContact CG1-CB 4.14Å; V273-R275 HydrophobicContact CG1-CG 3.52Å; V273-R275 PolarHBondContact O-N 2.73Å
276P55.9Low46.2Very low125 Ų125144.8 Ų144.881%0.81278%0.78SS**  trans-67.2135.7168.9-10.926.3000109.1
277W53Low46.4Very low206 Ų206146.5 Ų146.578%0.7878%0.776SS**  trans-117.5015941-101.3000108.8E43E43-W277 VanDerWaalsContact OE1-CH2 3.24Å; E43-W277 WeakPolarHBondContact OE1-CH2 3.46Å; E43-W277 WeakPolarHBondContact OE1-CZ2 3.48Å; E43-W277 WeakPolarHBondContact OE1-CZ3 3.43Å

Retrieved 277 of 277 residues in 37.7 ms (Link to these results)