A0A3Q0KQS7_SCHMA Loading...

Putative breast cancer metastasis-suppressor

AlphaFold DB , UniProt , Accession A0A3Q0KQS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low54.6Low246 Ų246157.8 Ų157.8100%1.21286%0.864SS**  0111.60-84.5171.3157.200106.2
2A57.6Low53.8Low95 Ų95157.3 Ų157.379%0.78586%0.859SS**  trans20.3115171.300000117.2
3D51.7Low53.1Low157 Ų157157.6 Ų157.684%0.8486%0.86SS**  cis3886.947.1-156.331.5000115.1
4E62.4Low52.5Low191 Ų191149.4 Ų149.489%0.89383%0.829SS**  trans-142.1119.5143.6-77.1-150.2166.800109.3
5G46.3Very low52Low70 Ų70150.7 Ų150.772%0.72283%0.827SS**  trans-73142.8179.600000113.1
6L57.8Low51.6Low172 Ų172151.5 Ų151.590%0.90183%0.827SS**  trans-98.6109.2166.5-157.765.1000108.1
7K59.8Low51.3Low196 Ų196149.9 Ų149.985%0.85282%0.818SS**  trans-61.5129.1174-84.1168.6170.7170.50110.7
8D55.3Low51.2Low156 Ų156149.6 Ų149.683%0.83481%0.81SS**  trans-63.8132.3162.8-64.4-52.4000110.6K10D8-K10 PolarHBondContact O-N 3.22Å
9P62.1Low51Low121 Ų121150.2 Ų150.279%0.78681%0.812SS**  trans-83.2115.7171.231.7-26.9000109.4
10K49.9Very low50.9Low195 Ų195152.3 Ų152.385%0.84881%0.808SS**  trans13.6110.6148.2-67.8-174.4172.9-174.20116.4D8 N12D8-K10 PolarHBondContact O-N 3.22Å; K10-N12 PolarHBondContact O-N 3.11Å
11V50.3Low50.7Low137 Ų137151.5 Ų151.583%0.8380%0.804SS**  trans-52.1108.6151.1176.90000107.8D13V11-D13 PolarHBondContact O-N 2.87Å
12N45.3Very low50.8Low151 Ų151147 Ų14781%0.80779%0.785SS**  trans-89.585.3172.2-165.626.6000107.2K10 G14K10-N12 PolarHBondContact O-N 3.11Å; N12-G14 PolarHBondContact O-N 2.91Å
13D44.3Very low50.7Low162 Ų162150.3 Ų150.387%0.86678%0.783SS**  trans-77.880.5165.7-133.11000106.3V11V11-D13 PolarHBondContact O-N 2.87Å
14G44.9Very low50.7Low42 Ų42150.8 Ų150.843%0.43378%0.781SS.*  trans-91.8134-178.200000111.1N12N12-G14 PolarHBondContact O-N 2.91Å
15Q45.5Very low50.4Low169 Ų169148.5 Ų148.579%0.7978%0.775SS**  trans80.468.9164.8-58.8168.6-80.600115.3
16I45.7Very low50.8Low164 Ų164156.4 Ų156.484%0.84179%0.785SS**  trans-82.799133.1-61.5171.9000103.8E18I16-E18 PolarHBondContact O-N 3.01Å; I16-E18 VanDerWaalsContact O-N 3.16Å
17D47Very low51Low124 Ų124156.1 Ų156.166%0.66378%0.778SS**  trans-59.9117.5173.8-92-34.5000108.5D19D17-D19 PolarHBondContact O-N 2.89Å
18E49.2Very low50.9Low145 Ų145155.2 Ų155.268%0.67878%0.777SS**  trans-70.765.7169.9-72.3-137.3-174.200110.3I16 R20I16-E18 PolarHBondContact O-N 3.01Å; I16-E18 VanDerWaalsContact O-N 3.16Å; E18-R20 HydrophobicContact CB-CB 4.44Å; E18-R20 PolarHBondContact O-N 2.76Å; E18-R20 WeakPolarHBondContact OE2-CD 3.32Å; E18-R20 IonicContact OE2-NH1 2.73Å
19D46.3Very low51.1Low160 Ų160152.6 Ų152.686%0.85677%0.769SS**  trans-76.862.1155.7-82.6-14.4000108.4D17 L21D17-D19 PolarHBondContact O-N 2.89Å; D19-L21 PolarHBondContact O-N 2.83Å; D19-L21 VanDerWaalsContact O-N 3.16Å
20R49.5Very low50.7Low193 Ų193153.2 Ų153.273%0.72877%0.766SS**  trans-78.693174.5-162.9175.3-177.4-168.6-1.5106E18 N22E18-R20 HydrophobicContact CB-CB 4.44Å; E18-R20 PolarHBondContact O-N 2.76Å; E18-R20 WeakPolarHBondContact OE2-CD 3.32Å; E18-R20 IonicContact OE2-NH1 2.73Å; R20-N22 PolarHBondContact O-N 2.99Å
21L47.8Very low50.8Low136 Ų136149.3 Ų149.371%0.71276%0.762SS**  trans34.984.6145.3-63.6167.7000113.4D19 E23D19-L21 PolarHBondContact O-N 2.83Å; D19-L21 VanDerWaalsContact O-N 3.16Å; L21-E23 HydrophobicContact CB-CG 4.45Å; L21-E23 PolarHBondContact O-N 2.73Å
22N48.8Very low50.8Low152 Ų152152.6 Ų152.681%0.81376%0.759SS**  trans-71.176.8163.1-151.239.8000107.6R20 E24R20-N22 PolarHBondContact O-N 2.99Å; N22-E24 PolarHBondContact O-N 3.29Å
23E54.9Low51Low163 Ų163150.6 Ų150.676%0.76276%0.757SS**  trans-83.522.9174.3-89.6-159.9-151.700112.4L21L21-E23 HydrophobicContact CB-CG 4.45Å; L21-E23 PolarHBondContact O-N 2.73Å
24E51.8Low51.2Low167 Ų167150.8 Ų150.878%0.7875%0.752SS**  trans-101.2123.7-179.4-63.6-168.9177.600110.3N22N22-E24 PolarHBondContact O-N 3.29Å
25D56.3Low51.6Low144 Ų144155.6 Ų155.677%0.7777%0.768SS**  trans98.344.7172.1-128.620.2000118Q27D25-Q27 PolarHBondContact O-N 3.24Å
26Y55Low51.8Low236 Ų236153.9 Ų153.993%0.92576%0.763SS**  trans-7992148.5-100.6-87.5000109E28Y26-E28 PolarHBondContact O-N 2.86Å
27Q61.1Low52.1Low165 Ų165151.8 Ų151.877%0.77176%0.763SS**  trans-73.6109.4158.8-74.6-154-37.700108.4D25 P29D25-Q27 PolarHBondContact O-N 3.24Å; Q27-P29 WeakPolarHBondContact O-CD 3.32Å
28E59.1Low52.9Low178 Ų178153.6 Ų153.683%0.83277%0.767SS**  trans-56.1118.6167.5-170.7174.2-167.700108.4Y26 D30Y26-E28 PolarHBondContact O-N 2.86Å; E28-D30 PolarHBondContact O-N 3.04Å
29P57.6Low53.7Low100 Ų100153.7 Ų153.765%0.64977%0.772SS**  trans-69.1110.5174.627.5-29.2000107.4Q27 C31Q27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-C31 PolarHBondContact O-N 2.99Å
30D54.6Low55.1Low135 Ų135151 Ų15172%0.72276%0.757SS**  trans-66.275.6170.2-165.76.8000108.7E28 R32E28-D30 PolarHBondContact O-N 3.04Å; D30-R32 PolarHBondContact O-N 2.76Å
31C51.3Low56.8Low113 Ų113144.8 Ų144.876%0.76474%0.74SS**  trans-75.662.5175.7-80.90000110.2P29 S33P29-C31 PolarHBondContact O-N 2.99Å; C31-S33 PolarHBondContact O-N 3.46Å
32R50Low58.8Low206 Ų206144.5 Ų144.578%0.77774%0.74SS**  trans-76.472.3159.9-81.7-178.7162.5-132-1.8109.5D30 E34D30-R32 PolarHBondContact O-N 2.76Å; R32-E34 PolarHBondContact O-N 3.01Å
33S49.9Very low60.7Low108 Ų108141.7 Ų141.776%0.75573%0.728SS**  trans-82.186.8164.7179.80000109.1C31 N35C31-S33 PolarHBondContact O-N 3.46Å; S33-N35 PolarHBondContact O-N 3.43Å; S33-N35 VanDerWaalsContact O-N 3.11Å
34E49.8Very low62.5Low167 Ų167138.4 Ų138.478%0.7871%0.713SS**  trans-63.498.4156.9-74.6175.7168.100108.3R32R32-E34 PolarHBondContact O-N 3.01Å
35N51.9Low64.3Low142 Ų142133.6 Ų133.676%0.75969%0.692SS**  trans163136.7144.5-92.2-55.5000111.6S33S33-N35 PolarHBondContact O-N 3.43Å; S33-N35 VanDerWaalsContact O-N 3.11Å
36I50.7Low66.1Low134 Ų134132 Ų13269%0.68768%0.68SS**  trans87.286.5169.2-43.8153.9000114.5E38I36-E38 HydrophobicContact CG2-CB 4.17Å; I36-E38 HydrophobicContact CG2-CG 3.72Å; I36-E38 PolarHBondContact O-N 3.43Å
37S52.1Low67.9Low119 Ų119124.4 Ų124.483%0.83266%0.661SS**  trans-64.474.8152.9-179.50000109.1
38E62.9Low69.5Low162 Ų162121.1 Ų121.176%0.75765%0.648SS**  trans-83.1116.1152.3-90.9169.4-175.800105.6I36 I40I36-E38 HydrophobicContact CG2-CB 4.17Å; I36-E38 HydrophobicContact CG2-CG 3.72Å; I36-E38 PolarHBondContact O-N 3.43Å; E38-I40 PolarHBondContact O-N 2.96Å
39D65.9Low71.2Confident147 Ų147119.2 Ų119.279%0.78664%0.637SS**  trans-56.9103.1173.2-88.6-32000107.5T41D39-T41 PolarHBondContact O-N 3.45Å
40I77.4Confident73.1Confident103 Ų103120.7 Ų120.753%0.52863%0.633SS.*  trans-53.3116.7168.2-93171.5000106.2E38 E44 I45E38-I40 PolarHBondContact O-N 2.96Å; I40-E44 WeakPolarHBondContact CA-OE2 3.45Å; I40-E44 HydrophobicContact CG2-CB 4.16Å; I40-I45 HydrophobicContact CG2-CD1 3.84Å; I40-I45 HydrophobicContact CG2-CG1 3.28Å
41T84.9Confident75.1Confident63 Ų63120.6 Ų120.639%0.38763%0.628SS.*  trans-66.7147.9178.855.70000108.7D39 T43 E44 I45D39-T41 PolarHBondContact O-N 3.45Å; T41-T43 WeakPolarHBondContact CB-OG1 3.22Å; T41-T43 PolarHBondContact O-N 2.93Å; T41-T43 PolarHBondContact OG1-OG1 3.35Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 VanDerWaalsContact OG1-CD 3.27Å; T41-E44 VanDerWaalsContact OG1-CG 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.13Å; T41-I45 PolarHBondContact O-N 3.01Å
42D88.1Confident77.2Confident131 Ų131119.8 Ų119.870%0.70162%0.616SS**Hα-helixtrans-51.2-30.3172-72.5-34.5000111.4I45 E46D42-I45 PolarHBondContact O-N 3.13Å; D42-E46 WeakPolarHBondContact O-CG 3.35Å; D42-E46 PolarHBondContact O-N 3.34Å
43T89.7Confident79.5Confident93 Ų93116.2 Ų116.257%0.57161%0.608SS**Hα-helixtrans-63.6-39.8173.642.70000114.1T41 E46 C47T41-T43 WeakPolarHBondContact CB-OG1 3.22Å; T41-T43 PolarHBondContact O-N 2.93Å; T41-T43 PolarHBondContact OG1-OG1 3.35Å; T43-E46 PolarHBondContact O-N 2.98Å; T43-C47 PolarHBondContact O-N 3.39Å; T43-C47 PolarHBondContact O-SG 3.37Å
44E92Very high81.7Confident93 Ų93114.7 Ų114.744%0.43560%0.597SS.*Hα-helixtrans-70.1-38.4176.7-75.3158.8147.700111.5I40 T41 E46 C47 L48I40-E44 WeakPolarHBondContact CA-OE2 3.45Å; I40-E44 HydrophobicContact CG2-CB 4.16Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 VanDerWaalsContact OG1-CD 3.27Å; T41-E44 VanDerWaalsContact OG1-CG 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.13Å; E44-E46 VanDerWaalsContact C-N 3.33Å; E44-E46 PolarHBondContact O-N 3.45Å; E44-C47 WeakPolarHBondContact O-CB 3.41Å; E44-C47 PolarHBondContact O-N 2.91Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.35Å
45I90.7Very high84Confident67 Ų67111.9 Ų111.934%0.34458%0.584SS.*Hα-helixtrans-60.9-43.8173.3-59.2-179.7000110.6I40 T41 D42 C47 L48 K49I40-I45 HydrophobicContact CG2-CD1 3.84Å; I40-I45 HydrophobicContact CG2-CG1 3.28Å; T41-I45 PolarHBondContact O-N 3.01Å; D42-I45 PolarHBondContact O-N 3.13Å; I45-C47 VanDerWaalsContact C-N 3.34Å; I45-L48 PolarHBondContact O-N 2.95Å; I45-K49 HydrophobicContact CG2-CD 4.24Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 WeakPolarHBondContact O-CG 3.5Å; I45-K49 PolarHBondContact O-N 3.3Å
46E92.9Very high86.2Confident109 Ų109108.8 Ų108.851%0.50957%0.567SS.*Hα-helixtrans-64.1-37.4176.1-77-171.3-179.400112.7D42 T43 E44 K50D42-E46 WeakPolarHBondContact O-CG 3.35Å; D42-E46 PolarHBondContact O-N 3.34Å; T43-E46 PolarHBondContact O-N 2.98Å; E44-E46 VanDerWaalsContact C-N 3.33Å; E44-E46 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 VanDerWaalsContact O-N 3.13Å
47C93.9Very high88.5Confident78 Ų78105.4 Ų105.453%0.52756%0.555SS.*Hα-helixtrans-63.1-49.4173.8-73.70000111.6T43 E44 I45 K49 K50 E51T43-C47 PolarHBondContact O-N 3.39Å; T43-C47 PolarHBondContact O-SG 3.37Å; E44-C47 WeakPolarHBondContact O-CB 3.41Å; E44-C47 PolarHBondContact O-N 2.91Å; I45-C47 VanDerWaalsContact C-N 3.34Å; C47-K49 VanDerWaalsContact C-N 3.33Å; C47-K49 PolarHBondContact O-N 2.95Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 2.86Å; C47-K50 VanDerWaalsContact O-N 3.13Å; C47-E51 PolarHBondContact O-N 2.91Å
48L94.3Very high90.7Very high96 Ų96105.2 Ų105.250%0.50354%0.541SS..Hα-helixtrans-60.5-39.9177.5-74170.8000112.5E44 I45 K50 E51 L52E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.35Å; I45-L48 PolarHBondContact O-N 2.95Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.46Å; L48-E51 PolarHBondContact O-N 2.89Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.02Å
49K95.8Very high92.3Very high137 Ų137102.1 Ų102.160%0.59653%0.529SS*.Hα-helixtrans-61.6-40.7174.9-77.6175.4179173.60112.3I45 C47 Q53I45-K49 HydrophobicContact CG2-CD 4.24Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 WeakPolarHBondContact O-CG 3.5Å; I45-K49 PolarHBondContact O-N 3.3Å; C47-K49 VanDerWaalsContact C-N 3.33Å; C47-K49 PolarHBondContact O-N 2.95Å; K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.38Å; K49-Q53 PolarHBondContact O-N 2.71Å
50K96Very high93.9Very high132 Ų132101.2 Ų101.257%0.57452%0.52SS*.Hα-helixtrans-68.2-40.3177.4-73.8171-175164.40111.6E46 C47 L48 Q53 S54E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 VanDerWaalsContact O-N 3.13Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 2.86Å; C47-K50 VanDerWaalsContact O-N 3.13Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.46Å; K50-Q53 PolarHBondContact O-N 3.05Å; K50-S54 WeakPolarHBondContact O-CB 3.48Å; K50-S54 PolarHBondContact O-N 2.88Å
51E96.3Very high94.9Very high132 Ų132103.7 Ų103.762%0.61752%0.523SS*.Hα-helixtrans-62.6-50.9175.8-174.2171.4-16400111.2C47 L48 Q53 S54 E55C47-E51 PolarHBondContact O-N 2.91Å; L48-E51 PolarHBondContact O-N 2.89Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.35Å; E51-S54 WeakPolarHBondContact O-CA 3.45Å; E51-S54 VanDerWaalsContact O-CB 3.29Å; E51-S54 WeakPolarHBondContact O-CB 3.29Å; E51-S54 PolarHBondContact O-N 3.2Å; E51-E55 PolarHBondContact O-N 3.38Å
52L96.9Very high95.5Very high97 Ų97105.2 Ų105.251%0.50853%0.526SS..Hα-helixtrans-59.8-40.5176.1179.763.4000112.2L48 S54 E55 I56L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.02Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.92Å; L52-E55 PolarHBondContact O-N 3.2Å; L52-I56 HydrophobicContact CD1-CD1 4.12Å; L52-I56 HydrophobicContact CD1-CG1 4.29Å; L52-I56 HydrophobicContact CG-CD1 3.94Å; L52-I56 WeakPolarHBondContact O-CB 3.49Å; L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.28Å; L52-I56 PolarHBondContact O-N 2.87Å
53Q97.5Very high96Very high131 Ų131106.1 Ų106.161%0.61252%0.523SS*.Hα-helixtrans-63.9-37.1175.4-174.7177.9-1.500111.8K49 K50 E51 S57K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.38Å; K49-Q53 PolarHBondContact O-N 2.71Å; K50-Q53 PolarHBondContact O-N 3.05Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.35Å; Q53-S57 WeakPolarHBondContact O-CB 3.38Å; Q53-S57 PolarHBondContact O-N 3.1Å; Q53-S57 PolarHBondContact O-OG 3.41Å
54S97.2Very high96.4Very high76 Ų76108.2 Ų108.253%0.53153%0.525SS..Hα-helixtrans-65.5-46.4174.6-1700000111.3K50 E51 L52 S57 E58K50-S54 WeakPolarHBondContact O-CB 3.48Å; K50-S54 PolarHBondContact O-N 2.88Å; E51-S54 WeakPolarHBondContact O-CA 3.45Å; E51-S54 VanDerWaalsContact O-CB 3.29Å; E51-S54 WeakPolarHBondContact O-CB 3.29Å; E51-S54 PolarHBondContact O-N 3.2Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.92Å; S54-S57 WeakPolarHBondContact O-CB 3.47Å; S54-S57 PolarHBondContact O-N 3.16Å; S54-E58 PolarHBondContact O-N 2.87Å
55E97.7Very high96.7Very high108 Ų108107.7 Ų107.751%0.50552%0.522SS..Hα-helixtrans-62.5-45.3178.5-173.6178.2-173.100111.8E51 L52 S57 E58 L59E51-E55 PolarHBondContact O-N 3.38Å; L52-E55 PolarHBondContact O-N 3.2Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.38Å; E55-E58 PolarHBondContact O-N 3.45Å; E55-L59 HydrophobicContact CG-CD1 4.34Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.36Å
56I97.9Very high97.1Very high77 Ų77107.3 Ų107.340%0.39553%0.529SS..Hα-helixtrans-59.6-42.5174-69167.8000110.7L52 E58 L59 E60L52-I56 HydrophobicContact CD1-CD1 4.12Å; L52-I56 HydrophobicContact CD1-CG1 4.29Å; L52-I56 HydrophobicContact CG-CD1 3.94Å; L52-I56 WeakPolarHBondContact O-CB 3.49Å; L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.28Å; L52-I56 PolarHBondContact O-N 2.87Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.44Å; I56-L59 PolarHBondContact O-N 3.44Å; I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact O-CB 3.3Å; I56-E60 VanDerWaalsContact O-CG 3.3Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.88Å
57S97.7Very high97.4Very high62 Ų62106.9 Ų106.943%0.43453%0.526SS..Hα-helixtrans-65-36.2179.2-58.20000112.1Q53 S54 E55 W61Q53-S57 WeakPolarHBondContact O-CB 3.38Å; Q53-S57 PolarHBondContact O-N 3.1Å; Q53-S57 PolarHBondContact O-OG 3.41Å; S54-S57 WeakPolarHBondContact O-CB 3.47Å; S54-S57 PolarHBondContact O-N 3.16Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.38Å; S57-W61 WeakPolarHBondContact O-CB 3.36Å; S57-W61 PolarHBondContact O-N 2.95Å; S57-W61 VanDerWaalsContact O-N 3.15Å
58E98.2Very high97.6Very high116 Ų116108 Ų10854%0.54252%0.523SS..Hα-helixtrans-67.1-48174.2-174.7167.2-158.100111.1S54 E55 I56 E60 W61 E62S54-E58 PolarHBondContact O-N 2.87Å; E55-E58 PolarHBondContact O-N 3.45Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.44Å; E58-E60 PolarHBondContact O-N 3.15Å; E58-W61 WeakPolarHBondContact O-CB 3.32Å; E58-W61 PolarHBondContact O-N 2.85Å; E58-W61 VanDerWaalsContact O-N 3.1Å; E58-E62 WeakPolarHBondContact O-CG 3.45Å; E58-E62 PolarHBondContact O-N 2.94Å
59L98.4Very high97.8Very high96 Ų96107 Ų10750%0.50352%0.524SS..Hα-helixtrans-60.2-41.8176.1-72.4172.3000112.7E55 I56 W61 E62 F63E55-L59 HydrophobicContact CG-CD1 4.34Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.36Å; I56-L59 PolarHBondContact O-N 3.44Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.15Å; L59-E62 PolarHBondContact O-N 3.36Å; L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 2.87Å
60E98.2Very high97.9Very high129 Ų129105.6 Ų105.660%0.60352%0.523SS*.Hα-helixtrans-62.1-38.9175.1-77.4179.9170.800111.8I56 E58 K64I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact O-CB 3.3Å; I56-E60 VanDerWaalsContact O-CG 3.3Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.88Å; E58-E60 PolarHBondContact O-N 3.15Å; E60-K64 WeakPolarHBondContact O-CB 3.31Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact O-N 3.08Å
61W98.4Very high98Very high154 Ų154105.8 Ų105.858%0.58352%0.521SS*.Hα-helixtrans-66.4-48.6175.5-178.987.5000111.2S57 E58 L59 F63 K64 Q65S57-W61 WeakPolarHBondContact O-CB 3.36Å; S57-W61 PolarHBondContact O-N 2.95Å; S57-W61 VanDerWaalsContact O-N 3.15Å; E58-W61 WeakPolarHBondContact O-CB 3.32Å; E58-W61 PolarHBondContact O-N 2.85Å; E58-W61 VanDerWaalsContact O-N 3.1Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.15Å; W61-F63 PolarHBondContact O-N 2.96Å; W61-K64 WeakPolarHBondContact O-CB 3.43Å; W61-K64 PolarHBondContact O-N 2.92Å; W61-Q65 HydrophobicContact CD2-CG 4.02Å; W61-Q65 HydrophobicContact CE3-CG 4.18Å; W61-Q65 HydrophobicContact CH2-CG 3.96Å; W61-Q65 HydrophobicContact CZ2-CG 3.79Å; W61-Q65 HydrophobicContact CZ3-CG 4.15Å; W61-Q65 WeakPolarHBondContact O-CG 3.47Å; W61-Q65 PolarHBondContact O-N 3.17Å
62E98.5Very high98.1Very high96 Ų96103.5 Ų103.545%0.44951%0.513SS..Hα-helixtrans-58.7-45.5176.8-70.9-174.1162.900112.1E58 L59 K64 Q65 A66E58-E62 WeakPolarHBondContact O-CG 3.45Å; E58-E62 PolarHBondContact O-N 2.94Å; L59-E62 PolarHBondContact O-N 3.36Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.08Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; E62-A66 WeakPolarHBondContact O-CB 3.37Å; E62-A66 PolarHBondContact O-N 3.16Å
63F98.3Very high98.2Very high149 Ų149103.8 Ų103.865%0.65451%0.512SS*.Hα-helixtrans-60.1-40.6177.2-176.7-100.2000111.7L59 W61 A66 K67L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 2.87Å; W61-F63 PolarHBondContact O-N 2.96Å; F63-A66 PolarHBondContact O-N 3.1Å; F63-K67 VanDerWaalsContact O-CB 3.31Å; F63-K67 WeakPolarHBondContact O-CB 3.48Å; F63-K67 PolarHBondContact O-N 3.31Å
64K98.3Very high98.2Very high138 Ų138104.2 Ų104.260%0.651%0.508SS*.Hα-helixtrans-63.4-43.5175.5-173.6-178.2176.3-174.40111.7E60 W61 E62 K67 E68E60-K64 WeakPolarHBondContact O-CB 3.31Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact O-N 3.08Å; W61-K64 WeakPolarHBondContact O-CB 3.43Å; W61-K64 PolarHBondContact O-N 2.92Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.08Å; K64-K67 PolarHBondContact O-N 2.94Å; K64-E68 PolarHBondContact O-N 3.44Å
65Q98.3Very high98.3Very high81 Ų81104.8 Ų104.838%0.37950%0.504SS..Hα-helixtrans-64.2-43.7177.2-63.8-58.588.400111.8W61 E62 K67 E68 S69W61-Q65 HydrophobicContact CD2-CG 4.02Å; W61-Q65 HydrophobicContact CE3-CG 4.18Å; W61-Q65 HydrophobicContact CH2-CG 3.96Å; W61-Q65 HydrophobicContact CZ2-CG 3.79Å; W61-Q65 HydrophobicContact CZ3-CG 4.15Å; W61-Q65 WeakPolarHBondContact O-CG 3.47Å; W61-Q65 PolarHBondContact O-N 3.17Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; Q65-K67 PolarHBondContact O-N 3.34Å; Q65-E68 PolarHBondContact O-N 3.48Å; Q65-S69 WeakPolarHBondContact O-CB 3.41Å; Q65-S69 PolarHBondContact O-N 3Å
66A98.4Very high98.3Very high60 Ų60105.4 Ų105.450%0.49651%0.508SS..Hα-helixtrans-61.4-43.3176.500000111.7E62 F63 S69 L70E62-A66 WeakPolarHBondContact O-CB 3.37Å; E62-A66 PolarHBondContact O-N 3.16Å; F63-A66 PolarHBondContact O-N 3.1Å; A66-S69 WeakPolarHBondContact O-CB 3.43Å; A66-S69 PolarHBondContact O-N 3.45Å; A66-L70 PolarHBondContact O-N 3.4Å
67K98.4Very high98.4Very high100 Ų100105.4 Ų105.444%0.43551%0.506SS..Hα-helixtrans-62.3-44176.3-176.7176.7-179.1176.50112.4F63 K64 Q65 L70 Y71F63-K67 VanDerWaalsContact O-CB 3.31Å; F63-K67 WeakPolarHBondContact O-CB 3.48Å; F63-K67 PolarHBondContact O-N 3.31Å; K64-K67 PolarHBondContact O-N 2.94Å; Q65-K67 PolarHBondContact O-N 3.34Å; K67-L70 PolarHBondContact O-N 2.89Å; K67-Y71 HydrophobicContact CD-CE2 4.17Å; K67-Y71 VanDerWaalsContact CE-CE2 3.47Å; K67-Y71 WeakPolarHBondContact CE-OH 3.26Å; K67-Y71 HydrophobicContact CG-CD2 4.15Å; K67-Y71 HydrophobicContact CG-CE2 3.68Å; K67-Y71 WeakPolarHBondContact O-CD2 3.43Å; K67-Y71 PolarHBondContact O-N 3.27Å; K67-Y71 VanDerWaalsContact O-N 3.1Å
68E98.3Very high98.4Very high101 Ų101106 Ų10647%0.47251%0.508SS..Hα-helixtrans-64-41.8176.1-175172.617900111.4K64 Q65 L70 Y71 N72K64-E68 PolarHBondContact O-N 3.44Å; Q65-E68 PolarHBondContact O-N 3.48Å; E68-L70 PolarHBondContact O-N 2.94Å; E68-Y71 PolarHBondContact O-N 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.18Å; E68-N72 VanDerWaalsContact O-CG 3.32Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 2.9Å
69S98.4Very high98.4Very high75 Ų75105.1 Ų105.152%0.52450%0.503SS..Hα-helixtrans-58.7-47.5175.2-174.80000112.1Q65 A66 Y71 N72 E73Q65-S69 WeakPolarHBondContact O-CB 3.41Å; Q65-S69 PolarHBondContact O-N 3Å; A66-S69 WeakPolarHBondContact O-CB 3.43Å; A66-S69 PolarHBondContact O-N 3.45Å; S69-Y71 PolarHBondContact O-N 3.26Å; S69-N72 PolarHBondContact O-N 2.95Å; S69-E73 PolarHBondContact O-N 3.49Å
70L98.5Very high98.3Very high108 Ų108104.8 Ų104.857%0.56550%0.502SS*.Hα-helixtrans-61.7-41.7178.1-177.766000112.4A66 K67 E68 E73 R74A66-L70 PolarHBondContact O-N 3.4Å; K67-L70 PolarHBondContact O-N 2.89Å; E68-L70 PolarHBondContact O-N 2.94Å; L70-E73 PolarHBondContact O-N 3.34Å; L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.49Å
71Y98.6Very high98.3Very high135 Ų135104.9 Ų104.953%0.52950%0.5SS..Hα-helixtrans-66.7-41.9176.3-71.1-33.2000112.4K67 E68 S69 E73 R74 I75K67-Y71 HydrophobicContact CD-CE2 4.17Å; K67-Y71 VanDerWaalsContact CE-CE2 3.47Å; K67-Y71 WeakPolarHBondContact CE-OH 3.26Å; K67-Y71 HydrophobicContact CG-CD2 4.15Å; K67-Y71 HydrophobicContact CG-CE2 3.68Å; K67-Y71 WeakPolarHBondContact O-CD2 3.43Å; K67-Y71 PolarHBondContact O-N 3.27Å; K67-Y71 VanDerWaalsContact O-N 3.1Å; E68-Y71 PolarHBondContact O-N 3.26Å; S69-Y71 PolarHBondContact O-N 3.26Å; Y71-E73 VanDerWaalsContact C-N 3.35Å; Y71-R74 PolarHBondContact O-N 3.07Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 3.36Å
72N98.5Very high98.3Very high84 Ų84101.8 Ų101.845%0.44950%0.495SS..Hα-helixtrans-62.7-42.8176-73.9-29000111.3E68 S69 R74 I75 M76E68-N72 WeakPolarHBondContact O-CB 3.18Å; E68-N72 VanDerWaalsContact O-CG 3.32Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 2.9Å; S69-N72 PolarHBondContact O-N 2.95Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.89Å; N72-I75 PolarHBondContact O-N 3.2Å; N72-M76 VanDerWaalsContact O-CG 3.3Å; N72-M76 WeakPolarHBondContact O-CG 3.3Å; N72-M76 PolarHBondContact O-N 3.41Å
73E98.5Very high98.3Very high104 Ų104101 Ų10149%0.48649%0.494SS..Hα-helixtrans-59.8-46.3174.3-167.4-164155.100111.1S69 L70 Y71 I75 M76 Q77S69-E73 PolarHBondContact O-N 3.49Å; L70-E73 PolarHBondContact O-N 3.34Å; Y71-E73 VanDerWaalsContact C-N 3.35Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.95Å; E73-M76 WeakPolarHBondContact O-CB 3.38Å; E73-M76 PolarHBondContact O-N 3.33Å; E73-Q77 WeakPolarHBondContact O-CG 3.28Å; E73-Q77 PolarHBondContact O-N 3.11Å; E73-Q77 PolarHBondContact OE1-NE2 3.41Å
74R98.6Very high98.2Very high140 Ų14096.5 Ų96.553%0.52848%0.475SS..Hα-helixtrans-62.3-40.9178.8-177.154.8176.8-174.1-4.8112.3L70 Y71 N72 Q77 V78L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.49Å; Y71-R74 PolarHBondContact O-N 3.07Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.89Å; R74-Q77 PolarHBondContact O-N 3.47Å; R74-V78 WeakPolarHBondContact O-CG2 3.37Å; R74-V78 PolarHBondContact O-N 3.37Å; R74-V78 VanDerWaalsContact O-N 3.11Å
75I98.6Very high98.1Very high88 Ų8891.5 Ų91.545%0.45146%0.459SS..Hα-helixtrans-60-49.3174.6-70.2163.9000109.6Y71 N72 E73 Q77 V78 E79Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 3.36Å; N72-I75 PolarHBondContact O-N 3.2Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.95Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.43Å; I75-V78 PolarHBondContact O-N 3.04Å; I75-V78 VanDerWaalsContact O-N 3.13Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 WeakPolarHBondContact O-CG 3.49Å; I75-E79 PolarHBondContact O-N 3.32Å
76M98.5Very high98.1Very high121 Ų12194.7 Ų94.760%0.59647%0.472SS*.Hα-helixtrans-59.6-40.8178.5-72.3-64.1-61.100112.8N72 E73 E79 N80N72-M76 VanDerWaalsContact O-CG 3.3Å; N72-M76 WeakPolarHBondContact O-CG 3.3Å; N72-M76 PolarHBondContact O-N 3.41Å; E73-M76 WeakPolarHBondContact O-CB 3.38Å; E73-M76 PolarHBondContact O-N 3.33Å; M76-E79 PolarHBondContact O-N 3.13Å; M76-N80 VanDerWaalsContact O-CB 3.28Å; M76-N80 WeakPolarHBondContact O-CB 3.39Å; M76-N80 PolarHBondContact O-N 3.49Å
77Q98.3Very high98Very high76 Ų7698.8 Ų98.836%0.35548%0.483SS..Hα-helixtrans-60.6-45.1174.9-71.117611.800111.6E73 R74 I75 N80 K81E73-Q77 WeakPolarHBondContact O-CG 3.28Å; E73-Q77 PolarHBondContact O-N 3.11Å; E73-Q77 PolarHBondContact OE1-NE2 3.41Å; R74-Q77 PolarHBondContact O-N 3.47Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.43Å; Q77-N80 PolarHBondContact O-N 3.33Å; Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.47Å
78V98.1Very high97.8Very high76 Ų7696 Ų9646%0.46148%0.482SS..Hα-helixtrans-67.9-43.2179172.60000111.1R74 I75 N80 K81 L82R74-V78 WeakPolarHBondContact O-CG2 3.37Å; R74-V78 PolarHBondContact O-N 3.37Å; R74-V78 VanDerWaalsContact O-N 3.11Å; I75-V78 PolarHBondContact O-N 3.04Å; I75-V78 VanDerWaalsContact O-N 3.13Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 2.89Å; V78-K81 PolarHBondContact O-N 2.84Å; V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.33Å
79E98.2Very high97.7Very high96 Ų9694.6 Ų94.645%0.44948%0.481SS..Hα-helixtrans-62-41.1176.1-73.6-175.9161.600111.8I75 M76 L82 N83I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 WeakPolarHBondContact O-CG 3.49Å; I75-E79 PolarHBondContact O-N 3.32Å; M76-E79 PolarHBondContact O-N 3.13Å; E79-L82 PolarHBondContact O-N 3.42Å; E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.34Å; E79-N83 PolarHBondContact O-ND2 3.42Å
80N97.7Very high97.7Very high90 Ų9091 Ų9148%0.48146%0.456SS..Hα-helixtrans-62.1-48.1174.6-174.420.7000111.4M76 Q77 V78 L82 N83 Q84M76-N80 VanDerWaalsContact O-CB 3.28Å; M76-N80 WeakPolarHBondContact O-CB 3.39Å; M76-N80 PolarHBondContact O-N 3.49Å; Q77-N80 PolarHBondContact O-N 3.33Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 2.89Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3Å; N80-N83 PolarHBondContact O-N 3.23Å; N80-Q84 PolarHBondContact ND2-NE2 3.48Å; N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.37Å; N80-Q84 PolarHBondContact OD1-NE2 3.2Å
81K97.4Very high97.5Very high130 Ų13089.7 Ų89.757%0.56545%0.453SS*.Hα-helixtrans-59.2-43.3175.3-74.1-175.2178.5-171.40111.8Q77 V78 N83 Q84 A85Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.47Å; V78-K81 PolarHBondContact O-N 2.84Å; K81-N83 PolarHBondContact O-N 2.95Å; K81-Q84 PolarHBondContact O-N 2.87Å; K81-A85 WeakPolarHBondContact O-CB 3.36Å; K81-A85 PolarHBondContact O-N 2.82Å
82L97.7Very high97.3Very high89 Ų8988.2 Ų88.247%0.46645%0.451SS..Hα-helixtrans-63.8-40.2176.6-179.763.3000112V78 E79 N80 A85 K86V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.33Å; E79-L82 PolarHBondContact O-N 3.42Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3Å; L82-A85 PolarHBondContact O-N 3.42Å; L82-K86 HydrophobicContact CG-CD 4.36Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 WeakPolarHBondContact O-CG 3.44Å; L82-K86 PolarHBondContact O-N 3.01Å
83N97.9Very high97.2Very high80 Ų8089.5 Ų89.543%0.42845%0.453SS..Hα-helixtrans-67.1-42.1176.4-76.1-27.2000111.5E79 N80 K81 A85 K86 M87E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.34Å; E79-N83 PolarHBondContact O-ND2 3.42Å; N80-N83 PolarHBondContact O-N 3.23Å; K81-N83 PolarHBondContact O-N 2.95Å; N83-A85 VanDerWaalsContact C-N 3.32Å; N83-A85 PolarHBondContact O-N 2.86Å; N83-K86 PolarHBondContact O-N 3.45Å; N83-M87 WeakPolarHBondContact O-CB 3.48Å; N83-M87 VanDerWaalsContact O-CG 3.3Å; N83-M87 WeakPolarHBondContact O-CG 3.45Å; N83-M87 PolarHBondContact O-N 3.36Å
84Q97.9Very high97.1Very high54 Ų5488.8 Ų88.825%0.25245%0.452SS..Hα-helixtrans-59.8-43.3173.4-70.8172.428.500111.6N80 K81 M87 G88 T89 A90N80-Q84 PolarHBondContact ND2-NE2 3.48Å; N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.37Å; N80-Q84 PolarHBondContact OD1-NE2 3.2Å; K81-Q84 PolarHBondContact O-N 2.87Å; Q84-M87 PolarHBondContact O-N 3.49Å; Q84-G88 PolarHBondContact O-N 3.26Å; Q84-T89 WeakPolarHBondContact CA-OG1 3.36Å; Q84-T89 PolarHBondContact O-N 3.44Å; Q84-T89 PolarHBondContact O-OG1 3.39Å; Q84-A90 HydrophobicContact CB-CB 4.14Å; Q84-A90 PolarHBondContact O-N 3.4Å; Q84-A90 VanDerWaalsContact O-N 3.15Å
85A96.3Very high97Very high33 Ų3387.9 Ų87.927%0.27345%0.454SS..Hα-helixtrans-61.3-45.5174.900000111.9K81 L82 N83 G88 A90 F93K81-A85 WeakPolarHBondContact O-CB 3.36Å; K81-A85 PolarHBondContact O-N 2.82Å; L82-A85 PolarHBondContact O-N 3.42Å; N83-A85 VanDerWaalsContact C-N 3.32Å; N83-A85 PolarHBondContact O-N 2.86Å; A85-G88 PolarHBondContact O-N 2.93Å; A85-A90 HydrophobicContact CB-CB 4.49Å; A85-F93 HydrophobicContact CB-CE2 3.79Å
86K96.9Very high96.9Very high148 Ų14887.6 Ų87.664%0.64346%0.456SS*.Hα-helixtrans-65.1-36.9177.3-75.7174.5179.1174.80113.2L82 N83L82-K86 HydrophobicContact CG-CD 4.36Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 WeakPolarHBondContact O-CG 3.44Å; L82-K86 PolarHBondContact O-N 3.01Å; N83-K86 PolarHBondContact O-N 3.45Å
87M96.7Very high96.8Very high147 Ų14786.1 Ų86.172%0.72445%0.45SS*.Hα-helixtrans-80.2-6.1177.4-68.7-177.269.400112.9N83 Q84 T89N83-M87 WeakPolarHBondContact O-CB 3.48Å; N83-M87 VanDerWaalsContact O-CG 3.3Å; N83-M87 WeakPolarHBondContact O-CG 3.45Å; N83-M87 PolarHBondContact O-N 3.36Å; Q84-M87 PolarHBondContact O-N 3.49Å; M87-T89 HydrophobicContact CB-CG2 4.17Å; M87-T89 PolarHBondContact O-N 2.97Å
88G94.8Very high96.8Very high41 Ų4185.7 Ų85.742%0.42346%0.455SS..THydrogen-bonded Turntrans67.320-17500000113.6Q84 A85Q84-G88 PolarHBondContact O-N 3.26Å; A85-G88 PolarHBondContact O-N 2.93Å
89T96.9Very high96.8Very high72 Ų7285.9 Ų85.944%0.44245%0.453SS..  trans-101.2-0.1179.456.60000112.8Q84 M87Q84-T89 WeakPolarHBondContact CA-OG1 3.36Å; Q84-T89 PolarHBondContact O-N 3.44Å; Q84-T89 PolarHBondContact O-OG1 3.39Å; M87-T89 HydrophobicContact CB-CG2 4.17Å; M87-T89 PolarHBondContact O-N 2.97Å
90A96.4Very high96.8Very high0 Ų085.4 Ų85.40%046%0.457CS..  trans-60.7124.4175.600000110.6Q84 A85 E92 F93 L94Q84-A90 HydrophobicContact CB-CB 4.14Å; Q84-A90 PolarHBondContact O-N 3.4Å; Q84-A90 VanDerWaalsContact O-N 3.15Å; A85-A90 HydrophobicContact CB-CB 4.49Å; A90-E92 VanDerWaalsContact C-N 3.25Å; A90-E92 HydrophobicContact CB-CG 4.36Å; A90-E92 PolarHBondContact O-N 2.99Å; A90-F93 HydrophobicContact CB-CD2 3.83Å; A90-F93 HydrophobicContact CB-CE2 4.38Å; A90-F93 HydrophobicContact CB-CG 4.35Å; A90-F93 PolarHBondContact O-N 3.28Å; A90-L94 PolarHBondContact O-N 3.23Å; A90-L94 VanDerWaalsContact O-N 3.1Å
91P95.2Very high96.8Very high80 Ų8085.7 Ų85.752%0.51946%0.455SS..Hα-helixtrans-60-34.2-173.222.8-32.9000113F93 L94 H95P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.43Å; P91-L94 PolarHBondContact O-N 2.86Å; P91-H95 PolarHBondContact O-N 3.44Å
92E93.9Very high96.9Very high104 Ų10484.7 Ų84.749%0.48645%0.453SS..Hα-helixtrans-61-37.2175.459.7-89.1-150.800112.6A90 V96A90-E92 VanDerWaalsContact C-N 3.25Å; A90-E92 HydrophobicContact CB-CG 4.36Å; A90-E92 PolarHBondContact O-N 2.99Å; E92-V96 WeakPolarHBondContact O-CG2 3.4Å; E92-V96 PolarHBondContact O-N 3.22Å
93F96.5Very high96.9Very high111 Ų11183.6 Ų83.649%0.48745%0.449SS..Hα-helixtrans-78.3-36.5177.1-65.1-27000112.2A85 A90 P91 H95 V96 L97A85-F93 HydrophobicContact CB-CE2 3.79Å; A90-F93 HydrophobicContact CB-CD2 3.83Å; A90-F93 HydrophobicContact CB-CE2 4.38Å; A90-F93 HydrophobicContact CB-CG 4.35Å; A90-F93 PolarHBondContact O-N 3.28Å; P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.43Å; F93-H95 VanDerWaalsContact C-N 3.29Å; F93-H95 PolarHBondContact O-N 3.02Å; F93-V96 PolarHBondContact O-N 3.35Å; F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.84Å
94L97.2Very high97Very high89 Ų8987.1 Ų87.147%0.46646%0.458SS..Hα-helixtrans-61.5-39.5174.8-66.6178.1000111.6A90 P91 L97 S98A90-L94 PolarHBondContact O-N 3.23Å; A90-L94 VanDerWaalsContact O-N 3.1Å; P91-L94 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.12Å; L94-S98 PolarHBondContact O-N 3.1Å
95H95.6Very high97Very high121 Ų12190.4 Ų90.456%0.5647%0.471SS*.Hα-helixtrans-62-48174.7-178.657000111.9P91 F93 L97 S98 L99P91-H95 PolarHBondContact O-N 3.44Å; F93-H95 VanDerWaalsContact C-N 3.29Å; F93-H95 PolarHBondContact O-N 3.02Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.24Å; H95-S98 WeakPolarHBondContact O-CB 3.46Å; H95-S98 PolarHBondContact O-N 3.15Å; H95-L99 PolarHBondContact O-N 2.88Å; H95-L99 VanDerWaalsContact O-N 3.12Å
96V97.3Very high97.1Very high82 Ų8293 Ų9350%0.49748%0.48SS..Hα-helixtrans-60.7-42.6176.5173.80000111.2E92 F93 S98 L99 V100E92-V96 WeakPolarHBondContact O-CG2 3.4Å; E92-V96 PolarHBondContact O-N 3.22Å; F93-V96 PolarHBondContact O-N 3.35Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.03Å; V96-L99 PolarHBondContact O-N 3.21Å; V96-V100 HydrophobicContact CG1-CG2 4.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.39Å
97L97Very high97.2Very high90 Ų9094.7 Ų94.747%0.47148%0.482SS..Hα-helixtrans-60-44177.3-175.962.7000111.3F93 L94 H95 L99 V100 E101F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.84Å; L94-L97 PolarHBondContact O-N 3.12Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.24Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.83Å; L97-V100 PolarHBondContact O-N 3.35Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.49Å
98S97.5Very high97.3Very high67 Ų6792.7 Ų92.747%0.46947%0.474SS..Hα-helixtrans-59.7-41.5176.3-174.70000112.6L94 H95 V96 E101 E102L94-S98 PolarHBondContact O-N 3.1Å; H95-S98 WeakPolarHBondContact O-CB 3.46Å; H95-S98 PolarHBondContact O-N 3.15Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.03Å; S98-E101 PolarHBondContact O-N 3Å; S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.44Å
99L98.2Very high97.5Very high80 Ų8096.3 Ų96.342%0.41948%0.479SS..Hα-helixtrans-66.5-38.8176.8-68.1173.8000112.1H95 V96 L97 E102 T103H95-L99 PolarHBondContact O-N 2.88Å; H95-L99 VanDerWaalsContact O-N 3.12Å; V96-L99 PolarHBondContact O-N 3.21Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.83Å; L99-E102 PolarHBondContact O-N 2.9Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.89Å
100V98.3Very high97.6Very high85 Ų8596.5 Ų96.552%0.51548%0.481SS..Hα-helixtrans-65.4-43.8176171.10000110.6V96 L97 T103 Y104V96-V100 HydrophobicContact CG1-CG2 4.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.39Å; L97-V100 PolarHBondContact O-N 3.35Å; V100-T103 PolarHBondContact O-N 3.41Å; V100-Y104 WeakPolarHBondContact O-CB 3.35Å; V100-Y104 PolarHBondContact O-N 2.92Å
101E98.2Very high97.7Very high97 Ų9799.1 Ų99.145%0.45350%0.502SS..Hα-helixtrans-62-43.2176.1-75.1-174.7179.700112.4L97 S98 Y104 K105L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.49Å; S98-E101 PolarHBondContact O-N 3Å; E101-Y104 PolarHBondContact O-N 3.17Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 3.27Å
102E98.5Very high97.8Very high109 Ų109101.2 Ų101.251%0.50950%0.503SS..Hα-helixtrans-62.1-47.3175.1-177.7170.1-159.500111.3S98 L99 Y104 K105 I106S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.44Å; L99-E102 PolarHBondContact O-N 2.9Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.86Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.96Å; E102-K105 VanDerWaalsContact O-N 3.16Å; E102-I106 HydrophobicContact CG-CD1 4.09Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.45Å
103T98.5Very high98.1Very high65 Ų65100.4 Ų100.440%0.39950%0.499SS..Hα-helixtrans-59.1-41.5176.5-610000111.5L99 V100 I106 R107L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.89Å; V100-T103 PolarHBondContact O-N 3.41Å; T103-I106 PolarHBondContact O-N 3.44Å; T103-R107 WeakPolarHBondContact O-CB 3.47Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 3.35Å
104Y98.7Very high98.2Very high155 Ų155104.1 Ų104.161%0.60851%0.51SS*.Hα-helixtrans-62.7-45.7175.9177.5-100.9000111.8V100 E101 E102 I106 R107 L108V100-Y104 WeakPolarHBondContact O-CB 3.35Å; V100-Y104 PolarHBondContact O-N 2.92Å; E101-Y104 PolarHBondContact O-N 3.17Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.86Å; Y104-I106 PolarHBondContact O-N 2.95Å; Y104-R107 PolarHBondContact O-N 3.37Å; Y104-L108 WeakPolarHBondContact O-CB 3.39Å; Y104-L108 PolarHBondContact O-N 3.34Å
105K98.7Very high98.2Very high123 Ų123105.4 Ų105.454%0.53552%0.515SS..Hα-helixtrans-58.6-45.5176-73.7169-175.6167.10111.6E101 E102 L108 Q109E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 3.27Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.96Å; E102-K105 VanDerWaalsContact O-N 3.16Å; K105-L108 PolarHBondContact O-N 3.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-N 3.48Å
106I98.7Very high98.4Very high88 Ų88103.6 Ų103.645%0.45151%0.507SS..Hα-helixtrans-62.2-47.1177.2-66.6167.5000110.6E102 T103 Y104 L108 Q109 V110E102-I106 HydrophobicContact CG-CD1 4.09Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.45Å; T103-I106 PolarHBondContact O-N 3.44Å; Y104-I106 PolarHBondContact O-N 2.95Å; I106-L108 VanDerWaalsContact C-N 3.29Å; I106-L108 PolarHBondContact O-N 3.16Å; I106-Q109 PolarHBondContact O-N 2.95Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 2.95Å
107R98.7Very high98.4Very high183 Ų183106 Ų10669%0.69151%0.511SS*.Hα-helixtrans-58.8-40.9177.9-75.6178-179.2-171.12.2112.1T103 Y104 V110 A111T103-R107 WeakPolarHBondContact O-CB 3.47Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 3.35Å; Y104-R107 PolarHBondContact O-N 3.37Å; R107-V110 PolarHBondContact O-N 2.76Å; R107-A111 WeakPolarHBondContact O-CB 3.41Å; R107-A111 PolarHBondContact O-N 3.25Å
108L98.6Very high98.5Very high104 Ų104104.2 Ų104.255%0.54551%0.509SS..Hα-helixtrans-64.2-43.9176.5-174.964.5000111.7Y104 K105 I106 A111 K112Y104-L108 WeakPolarHBondContact O-CB 3.39Å; Y104-L108 PolarHBondContact O-N 3.34Å; K105-L108 PolarHBondContact O-N 3.48Å; I106-L108 VanDerWaalsContact C-N 3.29Å; I106-L108 PolarHBondContact O-N 3.16Å; L108-A111 PolarHBondContact O-N 3.27Å; L108-K112 PolarHBondContact O-N 3.09Å
109Q98.6Very high98.6Very high117 Ų117105.8 Ų105.855%0.54751%0.512SS..Hα-helixtrans-62.1-45.1175.2-71.6179.99.600111.8K105 I106 A111 K112 H113K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-N 3.48Å; I106-Q109 PolarHBondContact O-N 2.95Å; Q109-A111 VanDerWaalsContact C-N 3.34Å; Q109-A111 PolarHBondContact O-N 2.95Å; Q109-K112 WeakPolarHBondContact O-CB 3.5Å; Q109-K112 PolarHBondContact O-N 3.05Å; Q109-H113 PolarHBondContact O-N 2.89Å; Q109-H113 VanDerWaalsContact O-N 3.07Å; Q109-H113 PolarHBondContact O-ND1 3.34Å
110V98.8Very high98.6Very high77 Ų77106.4 Ų106.447%0.46751%0.512SS..Hα-helixtrans-61.4-43.3176.9171.90000110.9I106 R107 K112 H113 R114I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 2.95Å; R107-V110 PolarHBondContact O-N 2.76Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.46Å; V110-H113 PolarHBondContact O-N 3.35Å; V110-R114 HydrophobicContact CG1-CG 4.34Å; V110-R114 VanDerWaalsContact O-CG 3.31Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.42Å
111A98.7Very high98.6Very high55 Ų55106.8 Ų106.846%0.45551%0.511SS..Hα-helixtrans-60.2-41.6176.600000112.2R107 L108 Q109 R114 M115R107-A111 WeakPolarHBondContact O-CB 3.41Å; R107-A111 PolarHBondContact O-N 3.25Å; L108-A111 PolarHBondContact O-N 3.27Å; Q109-A111 VanDerWaalsContact C-N 3.34Å; Q109-A111 PolarHBondContact O-N 2.95Å; A111-R114 PolarHBondContact O-N 2.93Å; A111-M115 PolarHBondContact O-N 2.95Å
112K98.7Very high98.6Very high123 Ų123106 Ų10654%0.53551%0.513SS..Hα-helixtrans-58.8-52.4174.9179.4-178.8169.8-177.80111.9L108 Q109 V110 R114 M115 E116L108-K112 PolarHBondContact O-N 3.09Å; Q109-K112 WeakPolarHBondContact O-CB 3.5Å; Q109-K112 PolarHBondContact O-N 3.05Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.46Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-R114 PolarHBondContact O-N 3.07Å; K112-M115 WeakPolarHBondContact O-CB 3.17Å; K112-M115 PolarHBondContact O-N 3Å; K112-M115 VanDerWaalsContact O-N 3.17Å; K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 IonicContact NZ-OE1 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.32Å
113H98.7Very high98.6Very high88 Ų88104.9 Ų104.941%0.40751%0.51SS..Hα-helixtrans-63.6-37.5179.7-67.889.3000112.3Q109 V110 M115 E116 F117Q109-H113 PolarHBondContact O-N 2.89Å; Q109-H113 VanDerWaalsContact O-N 3.07Å; Q109-H113 PolarHBondContact O-ND1 3.34Å; V110-H113 PolarHBondContact O-N 3.35Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 3.01Å; H113-E116 IonicContact CD2-OE2 3.81Å; H113-E116 PolarHBondContact O-N 3.02Å; H113-F117 HydrophobicContact CB-CE2 4.26Å; H113-F117 WeakPolarHBondContact O-CD2 3.45Å; H113-F117 WeakPolarHBondContact O-CG 3.26Å; H113-F117 PolarHBondContact O-N 3.26Å
114R98.6Very high98.6Very high188 Ų188107.5 Ų107.571%0.70952%0.516SS*.Hα-helixtrans-61.5-40.2175.1-73.1179.880.6-174.25.8111.9V110 A111 K112 A118V110-R114 HydrophobicContact CG1-CG 4.34Å; V110-R114 VanDerWaalsContact O-CG 3.31Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.42Å; A111-R114 PolarHBondContact O-N 2.93Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-R114 PolarHBondContact O-N 3.07Å; R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.37Å
115M98.6Very high98.6Very high116 Ų116105.7 Ų105.757%0.57151%0.513SS*.Hα-helixtrans-65.5-45.4175.3-174.6-174.675.600111.5A111 K112 H113 F117 A118 L119A111-M115 PolarHBondContact O-N 2.95Å; K112-M115 WeakPolarHBondContact O-CB 3.17Å; K112-M115 PolarHBondContact O-N 3Å; K112-M115 VanDerWaalsContact O-N 3.17Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 3.01Å; M115-F117 PolarHBondContact O-N 3.47Å; M115-A118 PolarHBondContact O-N 3.43Å; M115-L119 HydrophobicContact CG-CD1 4.46Å; M115-L119 WeakPolarHBondContact O-CG 3.35Å; M115-L119 PolarHBondContact O-N 2.98Å
116E98.7Very high98.6Very high83 Ų83104.6 Ų104.639%0.38851%0.512SS..Hα-helixtrans-60-45.2177.2-71.2169176.800111.6K112 H113 L119 E120K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 IonicContact NZ-OE1 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.32Å; H113-E116 IonicContact CD2-OE2 3.81Å; H113-E116 PolarHBondContact O-N 3.02Å; E116-L119 PolarHBondContact O-N 3.49Å; E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.43Å
117F98.7Very high98.6Very high133 Ų133104.5 Ų104.558%0.58351%0.513SS*.Hα-helixtrans-66.4-37.3175.9-68.6-42.9000113.3H113 M115 E120 I121H113-F117 HydrophobicContact CB-CE2 4.26Å; H113-F117 WeakPolarHBondContact O-CD2 3.45Å; H113-F117 WeakPolarHBondContact O-CG 3.26Å; H113-F117 PolarHBondContact O-N 3.26Å; M115-F117 PolarHBondContact O-N 3.47Å; F117-E120 PolarHBondContact O-N 3.41Å; F117-I121 WeakPolarHBondContact O-CB 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 2.88Å; F117-I121 VanDerWaalsContact O-CG1 3.23Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.04Å
118A98.6Very high98.6Very high53 Ų53100 Ų10044%0.43850%0.503SS..Hα-helixtrans-62.4-44.5175.400000111.2R114 M115 I121 T122R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.37Å; M115-A118 PolarHBondContact O-N 3.43Å; A118-I121 PolarHBondContact O-N 2.92Å; A118-T122 PolarHBondContact O-N 3.02Å; A118-T122 PolarHBondContact O-OG1 3.28Å; A118-T122 VanDerWaalsContact O-OG1 3.13Å
119L98.7Very high98.6Very high100 Ų100100.3 Ų100.352%0.52450%0.501SS..Hα-helixtrans-63.1-43.8175.3-72.6172.4000112.2M115 E116 I121 T122 N123M115-L119 HydrophobicContact CG-CD1 4.46Å; M115-L119 WeakPolarHBondContact O-CG 3.35Å; M115-L119 PolarHBondContact O-N 2.98Å; E116-L119 PolarHBondContact O-N 3.49Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 3.47Å; L119-T122 PolarHBondContact O-N 3.48Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.29Å; L119-N123 PolarHBondContact O-N 2.86Å; L119-N123 PolarHBondContact O-ND2 3.42Å
120E98.7Very high98.6Very high92 Ų9299.4 Ų99.443%0.4350%0.5SS..Hα-helixtrans-60.1-41.7176.8-178.670.8-170.300111.9E116 F117 K124E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.43Å; F117-E120 PolarHBondContact O-N 3.41Å; E120-K124 HydrophobicContact CG-CD 4.41Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 2.87Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 4Å; E120-K124 PolarHBondContact OE1-NZ 3.43Å
121I98.5Very high98.6Very high93 Ų93101.4 Ų101.448%0.47750%0.504SS..Hα-helixtrans-64.2-50.1175.8-70.4165000110.2F117 A118 L119 N123 K124 E125F117-I121 WeakPolarHBondContact O-CB 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 2.88Å; F117-I121 VanDerWaalsContact O-CG1 3.23Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.04Å; A118-I121 PolarHBondContact O-N 2.92Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 3.47Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.35Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-N 3.11Å; I121-E125 HydrophobicContact CG2-CG 4.33Å; I121-E125 WeakPolarHBondContact O-CG 3.31Å; I121-E125 PolarHBondContact O-N 3.24Å
122T98.6Very high98.6Very high81 Ų81102.2 Ų102.250%0.49750%0.5SS..Hα-helixtrans-60.2-39.2179.1-60.30000112.3A118 L119 E125 L126A118-T122 PolarHBondContact O-N 3.02Å; A118-T122 PolarHBondContact O-OG1 3.28Å; A118-T122 VanDerWaalsContact O-OG1 3.13Å; L119-T122 PolarHBondContact O-N 3.48Å; T122-E125 PolarHBondContact O-N 2.95Å; T122-L126 PolarHBondContact O-N 3.37Å
123N98.6Very high98.6Very high86 Ų86100.9 Ų100.946%0.4650%0.498SS..Hα-helixtrans-63.5-43.4174.7-74.1-20.3000111.6L119 I121 L126 D127L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.29Å; L119-N123 PolarHBondContact O-N 2.86Å; L119-N123 PolarHBondContact O-ND2 3.42Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.35Å; N123-L126 WeakPolarHBondContact O-CB 3.46Å; N123-L126 PolarHBondContact O-N 3.07Å; N123-D127 PolarHBondContact O-N 2.9Å
124K98.6Very high98.6Very high120 Ų120102.5 Ų102.552%0.52251%0.505SS..Hα-helixtrans-65.8-37.6176.9-77.2172.2178.6152.30113.1E120 I121 D127 N128E120-K124 HydrophobicContact CG-CD 4.41Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 2.87Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 4Å; E120-K124 PolarHBondContact OE1-NZ 3.43Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-N 3.11Å; K124-D127 PolarHBondContact O-N 3.27Å; K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.49Å; K124-N128 PolarHBondContact O-N 3.49Å
125E98.5Very high98.5Very high116 Ų11696.9 Ų96.954%0.54249%0.494SS..Hα-helixtrans-62.2-45173.6-72.4172.2164.600110.5I121 T122 N128 E129I121-E125 HydrophobicContact CG2-CG 4.33Å; I121-E125 WeakPolarHBondContact O-CG 3.31Å; I121-E125 PolarHBondContact O-N 3.24Å; T122-E125 PolarHBondContact O-N 2.95Å; E125-N128 PolarHBondContact O-N 3.31Å; E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.4Å
126L98.6Very high98.5Very high100 Ų10094.6 Ų94.652%0.52448%0.484SS..Hα-helixtrans-61.5-47175179.163.5000112.2T122 N123 N128 E129 L130T122-L126 PolarHBondContact O-N 3.37Å; N123-L126 WeakPolarHBondContact O-CB 3.46Å; N123-L126 PolarHBondContact O-N 3.07Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 2.99Å; L126-E129 PolarHBondContact O-N 3.43Å; L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.28Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.28Å
127D98.6Very high98.5Very high87 Ų8794.7 Ų94.747%0.46549%0.49SS..Hα-helixtrans-62.1-35.8178.4-75.3-18.7000112.1N123 K124 Q131N123-D127 PolarHBondContact O-N 2.9Å; K124-D127 PolarHBondContact O-N 3.27Å; D127-Q131 VanDerWaalsContact O-CG 3.32Å; D127-Q131 WeakPolarHBondContact O-CG 3.47Å; D127-Q131 PolarHBondContact O-N 2.94Å; D127-Q131 VanDerWaalsContact O-N 3.11Å; D127-Q131 PolarHBondContact O-NE2 3.37Å
128N98.4Very high98.5Very high88 Ų8892.5 Ų92.547%0.47149%0.485SS..Hα-helixtrans-67.1-49.8175.7-172-18.7000111.2K124 E125 L126 L130 Q131 I132K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.49Å; K124-N128 PolarHBondContact O-N 3.49Å; E125-N128 PolarHBondContact O-N 3.31Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 2.99Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.44Å; N128-Q131 WeakPolarHBondContact O-CB 3.48Å; N128-Q131 PolarHBondContact O-N 3.35Å; N128-Q131 VanDerWaalsContact O-N 3.07Å; N128-I132 WeakPolarHBondContact O-CG1 3.37Å; N128-I132 PolarHBondContact O-N 3.17Å; N128-I132 VanDerWaalsContact OD1-CD1 3.3Å; N128-I132 WeakPolarHBondContact OD1-CD1 3.24Å
129E98.5Very high98.5Very high111 Ų11196.4 Ų96.452%0.51949%0.494SS..Hα-helixtrans-59.1-40.4177-72.2-62.315400112.2E125 L126 Q131 I132 I133E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.4Å; L126-E129 PolarHBondContact O-N 3.43Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; E129-Q131 PolarHBondContact O-N 3.06Å; E129-I132 PolarHBondContact O-N 3.47Å; E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.48Å; E129-I133 PolarHBondContact O-N 2.87Å
130L98.6Very high98.4Very high97 Ų97100.1 Ų100.151%0.50850%0.501SS..Hα-helixtrans-61.5-41.8174.3-73.3174.3000112.2L126 N128 Q134L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.28Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.28Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.44Å; L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 2.99Å
131Q98.5Very high98.4Very high119 Ų119100.3 Ų100.356%0.55650%0.504SS*.Hα-helixtrans-65.5-42.1176.3-76172.254.900112D127 N128 E129 Q134 C135D127-Q131 VanDerWaalsContact O-CG 3.32Å; D127-Q131 WeakPolarHBondContact O-CG 3.47Å; D127-Q131 PolarHBondContact O-N 2.94Å; D127-Q131 VanDerWaalsContact O-N 3.11Å; D127-Q131 PolarHBondContact O-NE2 3.37Å; N128-Q131 WeakPolarHBondContact O-CB 3.48Å; N128-Q131 PolarHBondContact O-N 3.35Å; N128-Q131 VanDerWaalsContact O-N 3.07Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; E129-Q131 PolarHBondContact O-N 3.06Å; Q131-Q134 PolarHBondContact O-N 3.41Å; Q131-C135 PolarHBondContact O-N 2.91Å; Q131-C135 PolarHBondContact O-SG 2.9Å
132I98.3Very high98.4Very high72 Ų72101.5 Ų101.537%0.36951%0.511SS..Hα-helixtrans-59.5-51.8176.2-68.3168.6000109.9N128 E129 Q134 C135 D136N128-I132 WeakPolarHBondContact O-CG1 3.37Å; N128-I132 PolarHBondContact O-N 3.17Å; N128-I132 VanDerWaalsContact OD1-CD1 3.3Å; N128-I132 WeakPolarHBondContact OD1-CD1 3.24Å; E129-I132 PolarHBondContact O-N 3.47Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.26Å; I132-C135 PolarHBondContact O-N 2.87Å; I132-C135 VanDerWaalsContact O-N 3.16Å; I132-D136 WeakPolarHBondContact O-CB 3.35Å; I132-D136 PolarHBondContact O-N 3.35Å
133I98.3Very high98.4Very high96 Ų96100.6 Ų100.649%0.49251%0.508SS..Hα-helixtrans-58.9-42.1178.8-67.5165.5000111E129 D136 V137E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.48Å; E129-I133 PolarHBondContact O-N 2.87Å; I133-D136 PolarHBondContact O-N 3.43Å; I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.38Å
134Q98.5Very high98.4Very high122 Ų12298.5 Ų98.557%0.5750%0.502SS*.Hα-helixtrans-63.2-43.5178-175.31781.200111.9L130 Q131 I132 N138L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 2.99Å; Q131-Q134 PolarHBondContact O-N 3.41Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.26Å; Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 2.99Å; Q134-N138 PolarHBondContact O-ND2 2.91Å; Q134-N138 VanDerWaalsContact O-ND2 3.16Å
135C98.2Very high98.4Very high69 Ų6997.9 Ų97.947%0.46650%0.502SS..Hα-helixtrans-62.4-48.3175.6-66.20000111Q131 I132 V137 N138 E139Q131-C135 PolarHBondContact O-N 2.91Å; Q131-C135 PolarHBondContact O-SG 2.9Å; I132-C135 PolarHBondContact O-N 2.87Å; I132-C135 VanDerWaalsContact O-N 3.16Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 2.9Å; C135-N138 PolarHBondContact O-N 3.41Å; C135-E139 WeakPolarHBondContact O-CG 3.37Å; C135-E139 PolarHBondContact O-N 3.49Å
136D98.3Very high98.4Very high68 Ų6896.3 Ų96.336%0.36449%0.494SS..Hα-helixtrans-56.8-44.8177.9-86.220000112.4I132 I133 E139 R140I132-D136 WeakPolarHBondContact O-CB 3.35Å; I132-D136 PolarHBondContact O-N 3.35Å; I133-D136 PolarHBondContact O-N 3.43Å; D136-E139 PolarHBondContact O-N 2.87Å; D136-R140 WeakPolarHBondContact O-CB 3.46Å; D136-R140 VanDerWaalsContact O-CG 3.23Å; D136-R140 WeakPolarHBondContact O-CG 3.44Å; D136-R140 PolarHBondContact O-N 2.92Å
137V98.3Very high98.4Very high85 Ų8597.7 Ų97.752%0.51550%0.498SS..Hα-helixtrans-64.9-43.9178.1169.30000110.8I133 C135 R140 L141I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.38Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 2.9Å; V137-R140 PolarHBondContact O-N 2.93Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 PolarHBondContact O-N 2.97Å
138N98.3Very high98.4Very high88 Ų8898.7 Ų98.747%0.47150%0.502SS..Hα-helixtrans-63.5-42.9177.8-72.5-26000111.9Q134 C135 L141 L142Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 2.99Å; Q134-N138 PolarHBondContact O-ND2 2.91Å; Q134-N138 VanDerWaalsContact O-ND2 3.16Å; C135-N138 PolarHBondContact O-N 3.41Å; N138-L141 PolarHBondContact O-N 3.4Å; N138-L142 WeakPolarHBondContact O-CB 3.01Å; N138-L142 PolarHBondContact O-N 3.2Å
139E98.2Very high98.4Very high135 Ų13599.9 Ų99.963%0.63150%0.5SS*.Hα-helixtrans-64.1-41176.8-73.7-173.417700112.1C135 D136 L142 S143C135-E139 WeakPolarHBondContact O-CG 3.37Å; C135-E139 PolarHBondContact O-N 3.49Å; D136-E139 PolarHBondContact O-N 2.87Å; E139-L142 PolarHBondContact O-N 3.04Å; E139-S143 WeakPolarHBondContact O-CB 3.49Å; E139-S143 PolarHBondContact O-N 3.3Å
140R98.2Very high98.4Very high178 Ų17898 Ų9867%0.67249%0.493SS*.Hα-helixtrans-64.7-41.2175.4-72.5175.2-166-163.88112.1D136 V137 S143 A144D136-R140 WeakPolarHBondContact O-CB 3.46Å; D136-R140 VanDerWaalsContact O-CG 3.23Å; D136-R140 WeakPolarHBondContact O-CG 3.44Å; D136-R140 PolarHBondContact O-N 2.92Å; V137-R140 PolarHBondContact O-N 2.93Å; R140-S143 PolarHBondContact O-N 3.19Å; R140-A144 WeakPolarHBondContact O-CB 3.47Å; R140-A144 PolarHBondContact O-N 3.4Å
141L98.4Very high98.3Very high96 Ų9696.9 Ų96.950%0.50349%0.493SS..Hα-helixtrans-62.1-49.8175.8-179.265.1000110.7V137 N138 S143 A144 E145V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 PolarHBondContact O-N 2.97Å; N138-L141 PolarHBondContact O-N 3.4Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-A144 PolarHBondContact O-N 3.37Å; L141-A144 VanDerWaalsContact O-N 3.13Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.99Å
142L98.3Very high98.3Very high118 Ų11896.7 Ų96.762%0.61850%0.495SS*.Hα-helixtrans-58.7-42.3178-170.478.8000111.8N138 E139 E145 E146N138-L142 WeakPolarHBondContact O-CB 3.01Å; N138-L142 PolarHBondContact O-N 3.2Å; E139-L142 PolarHBondContact O-N 3.04Å; L142-E145 PolarHBondContact O-N 3.35Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.39Å
143S98.2Very high98.3Very high61 Ų6197.6 Ų97.643%0.42750%0.498SS..Hα-helixtrans-63.3-41.7176.1-175.80000112.2E139 R140 L141 E146 Q147E139-S143 WeakPolarHBondContact O-CB 3.49Å; E139-S143 PolarHBondContact O-N 3.3Å; R140-S143 PolarHBondContact O-N 3.19Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.18Å; S143-E146 PolarHBondContact O-N 2.72Å; S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.93Å
144A98.4Very high98.2Very high42 Ų4299.7 Ų99.735%0.34751%0.506SS..Hα-helixtrans-66.4-42.4176.300000112.2R140 L141 E146 Q147 I148R140-A144 WeakPolarHBondContact O-CB 3.47Å; R140-A144 PolarHBondContact O-N 3.4Å; L141-A144 PolarHBondContact O-N 3.37Å; L141-A144 VanDerWaalsContact O-N 3.13Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.88Å; A144-Q147 PolarHBondContact O-N 3.32Å; A144-I148 WeakPolarHBondContact O-CG1 3.39Å; A144-I148 PolarHBondContact O-N 3Å
145E98.5Very high98.2Very high108 Ų10896.9 Ų96.951%0.50550%0.5SS..Hα-helixtrans-59.1-44.5174-72.7178.6169.600111.4L141 L142 I148 R149L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.99Å; L142-E145 PolarHBondContact O-N 3.35Å; E145-I148 PolarHBondContact O-N 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 3.37Å
146E98.5Very high98.2Very high82 Ų8298.1 Ų98.138%0.38350%0.501SS..Hα-helixtrans-64.7-41.7177.5179.162.2-173.200112.2L142 S143 A144 I148 R149 L150L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.39Å; S143-E146 PolarHBondContact O-N 2.72Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.88Å; E146-I148 PolarHBondContact O-N 3.11Å; E146-R149 VanDerWaalsContact CD-NH2 3.29Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 IonicContact OE1-CZ 2.72Å; E146-R149 IonicContact OE1-NE 3.4Å; E146-R149 IonicContact OE1-NH2 3.92Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.63Å; E146-R149 IonicContact OE2-NE 3.55Å; E146-R149 PolarHBondContact OE2-NE 3.35Å; E146-R149 IonicContact OE2-NH2 3.69Å; E146-R149 PolarHBondContact OE2-NH2 3.05Å; E146-L150 HydrophobicContact CG-CD1 4.24Å; E146-L150 WeakPolarHBondContact O-CB 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 2.91Å
147Q98.4Very high98.1Very high129 Ų12997.9 Ų97.960%0.60350%0.504SS*.Hα-helixtrans-61.2-43.2174.6-74.5174.82200112S143 A144 L150 S151S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.93Å; A144-Q147 PolarHBondContact O-N 3.32Å; Q147-L150 PolarHBondContact O-N 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.29Å; Q147-S151 PolarHBondContact O-N 3.34Å
148I98.4Very high98.1Very high108 Ų108100.2 Ų100.255%0.55451%0.508SS*.Hα-helixtrans-63.3-44.7175.4-68.2166.2000110.1A144 E145 E146 L150 S151 L152A144-I148 WeakPolarHBondContact O-CG1 3.39Å; A144-I148 PolarHBondContact O-N 3Å; E145-I148 PolarHBondContact O-N 3.45Å; E146-I148 PolarHBondContact O-N 3.11Å; I148-L150 PolarHBondContact O-N 3.47Å; I148-S151 PolarHBondContact O-N 3.46Å; I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.03Å
149R98.4Very high98Very high113 Ų113101 Ų10143%0.42651%0.511SS..Hα-helixtrans-59.4-46.3178.4-168.2-165.965.966.6-0.4111.8E145 E146 L152 Q153E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 3.37Å; E146-R149 VanDerWaalsContact CD-NH2 3.29Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 IonicContact OE1-CZ 2.72Å; E146-R149 IonicContact OE1-NE 3.4Å; E146-R149 IonicContact OE1-NH2 3.92Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.63Å; E146-R149 IonicContact OE2-NE 3.55Å; E146-R149 PolarHBondContact OE2-NE 3.35Å; E146-R149 IonicContact OE2-NH2 3.69Å; E146-R149 PolarHBondContact OE2-NH2 3.05Å; R149-L152 PolarHBondContact O-N 3.01Å; R149-Q153 WeakPolarHBondContact O-CB 3.32Å; R149-Q153 PolarHBondContact O-N 3.13Å
150L98.2Very high97.9Very high73 Ų7397.3 Ų97.338%0.38249%0.494SS..Hα-helixtrans-63.9-45.4177.1-71.7172.5000111.7E146 Q147 I148 L152 Q153 E154E146-L150 HydrophobicContact CG-CD1 4.24Å; E146-L150 WeakPolarHBondContact O-CB 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 2.91Å; Q147-L150 PolarHBondContact O-N 3.32Å; I148-L150 PolarHBondContact O-N 3.47Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.1Å; L150-Q153 WeakPolarHBondContact O-CB 3.32Å; L150-Q153 PolarHBondContact O-N 2.85Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.49Å
151S98.3Very high97.7Very high72 Ų7296.5 Ų96.550%0.50349%0.492SS..Hα-helixtrans-58.9-43.4176.6177.10000112.4Q147 I148 E154 S155Q147-S151 WeakPolarHBondContact O-CB 3.29Å; Q147-S151 PolarHBondContact O-N 3.34Å; I148-S151 PolarHBondContact O-N 3.46Å; S151-E154 PolarHBondContact O-N 3.38Å; S151-S155 WeakPolarHBondContact O-CB 3.3Å; S151-S155 PolarHBondContact O-N 2.94Å
152L97.9Very high97.6Very high115 Ų11595.7 Ų95.760%0.60249%0.485SS*.Hα-helixtrans-65.1-40.1174.9-71174.7000112.1I148 R149 L150 S155 L156I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.03Å; R149-L152 PolarHBondContact O-N 3.01Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.1Å; L152-S155 PolarHBondContact O-N 3.1Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.44Å
153Q97.9Very high97.5Very high91 Ų9198.4 Ų98.443%0.42549%0.487SS..Hα-helixtrans-64.4-43.2177-175.8177.1-8.900111.8R149 L150 L156 C157R149-Q153 WeakPolarHBondContact O-CB 3.32Å; R149-Q153 PolarHBondContact O-N 3.13Å; L150-Q153 WeakPolarHBondContact O-CB 3.32Å; L150-Q153 PolarHBondContact O-N 2.85Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; Q153-L156 PolarHBondContact O-N 3.38Å; Q153-C157 PolarHBondContact O-N 2.92Å; Q153-C157 PolarHBondContact O-SG 3.34Å
154E97.2Very high97.2Very high140 Ų14097 Ų9765%0.65448%0.479SS*.Hα-helixtrans-62.3-45.4174.7-73.5178179.300111.6L150 S151 L156 C157 K158L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.49Å; S151-E154 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.32Å; E154-C157 PolarHBondContact O-N 3.07Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.49Å
155S97.8Very high96.9Very high63 Ų6396.1 Ų96.144%0.44147%0.472SS..Hα-helixtrans-59.2-44.6176.1-175.60000111.9S151 L152 K158 L159S151-S155 WeakPolarHBondContact O-CB 3.3Å; S151-S155 PolarHBondContact O-N 2.94Å; L152-S155 PolarHBondContact O-N 3.1Å; S155-K158 PolarHBondContact O-N 3.42Å; S155-L159 WeakPolarHBondContact O-CG 3.5Å; S155-L159 PolarHBondContact O-N 3.03Å
156L97.2Very high96.5Very high95 Ų9597.1 Ų97.150%0.49748%0.477SS..Hα-helixtrans-63.5-44177-175.7147.1000111.9L152 Q153 E154 K158 L159 Q160L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.44Å; Q153-L156 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.32Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-Q160 HydrophobicContact CD2-CG 4.36Å; L156-Q160 VanDerWaalsContact CD2-NE2 3.25Å; L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.33Å; L156-Q160 PolarHBondContact O-N 2.99Å
157C97.2Very high96.1Very high64 Ų64100.1 Ų100.143%0.43249%0.491SS..Hα-helixtrans-61.9-41.6175.4-67.30000111.7Q153 E154 Q160 Y161Q153-C157 PolarHBondContact O-N 2.92Å; Q153-C157 PolarHBondContact O-SG 3.34Å; E154-C157 PolarHBondContact O-N 3.07Å; C157-Q160 PolarHBondContact O-N 2.96Å; C157-Y161 PolarHBondContact O-N 2.89Å
158K97.3Very high95.5Very high134 Ų134101.2 Ų101.258%0.58349%0.489SS*.Hα-helixtrans-61.9-48.1176.7-175.7-179.3175-174.60111.5E154 S155 L156 Q160 Y161 E162E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.49Å; S155-K158 PolarHBondContact O-N 3.42Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å; K158-Q160 VanDerWaalsContact C-N 3.31Å; K158-Q160 PolarHBondContact O-N 3.38Å; K158-Y161 PolarHBondContact O-N 3.29Å; K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact O-CB 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.44Å; K158-E162 PolarHBondContact O-N 3.43Å
159L96.8Very high94.8Very high104 Ų104103.1 Ų103.155%0.54549%0.494SS..Hα-helixtrans-61.9-37.8177.2-73.7171.9000112.4S155 L156 R163S155-L159 WeakPolarHBondContact O-CG 3.5Å; S155-L159 PolarHBondContact O-N 3.03Å; L156-L159 PolarHBondContact O-N 3.43Å; L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.26Å; L159-R163 PolarHBondContact O-N 3.33Å
160Q95.9Very high93.8Very high58 Ų58101.1 Ų101.127%0.27150%0.501SS..Hα-helixtrans-65.3-44.2174.8-75.4175.6-12.400111.9L156 C157 K158 R163 A164L156-Q160 HydrophobicContact CD2-CG 4.36Å; L156-Q160 VanDerWaalsContact CD2-NE2 3.25Å; L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.33Å; L156-Q160 PolarHBondContact O-N 2.99Å; C157-Q160 PolarHBondContact O-N 2.96Å; K158-Q160 VanDerWaalsContact C-N 3.31Å; K158-Q160 PolarHBondContact O-N 3.38Å; Q160-R163 PolarHBondContact O-N 3.32Å; Q160-A164 WeakPolarHBondContact O-CB 3.46Å; Q160-A164 PolarHBondContact O-N 3.48Å
161Y95.4Very high92.2Very high161 Ų161102.1 Ų102.163%0.63151%0.514SS*.Hα-helixtrans-62.6-45.7175.7-179.8-94.5000111.7C157 K158 A164 A165C157-Y161 PolarHBondContact O-N 2.89Å; K158-Y161 PolarHBondContact O-N 3.29Å; Y161-A164 PolarHBondContact O-N 3.47Å; Y161-A165 VanDerWaalsContact O-CB 3.29Å; Y161-A165 WeakPolarHBondContact O-CB 3.45Å; Y161-A165 PolarHBondContact O-N 3.01Å
162E95.7Very high90.5Very high78 Ų78106.6 Ų106.636%0.36453%0.525SS..Hα-helixtrans-60.1-46.3176.2-74.5174.7179.500111.2K158 A164 A165 H166K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact O-CB 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.44Å; K158-E162 PolarHBondContact O-N 3.43Å; E162-A164 PolarHBondContact O-N 2.95Å; E162-A165 PolarHBondContact O-N 2.82Å; E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-CD2 3.2Å; E162-H166 PolarHBondContact O-N 3.18Å
163R94.8Very high88.3Confident175 Ų175107.4 Ų107.466%0.6653%0.53SS*.Hα-helixtrans-56.9-49.5174.5-177.2-172.9-66.6-173.7-1.6111.7L159 Q160 A165 H166 Q167L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.26Å; L159-R163 PolarHBondContact O-N 3.33Å; Q160-R163 PolarHBondContact O-N 3.32Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.36Å; R163-H166 PolarHBondContact O-N 3.39Å; R163-Q167 PolarHBondContact O-N 3.04Å
164A93.5Very high85.8Confident31 Ų31109 Ų10926%0.25655%0.548SS..Hα-helixtrans-63.7-38.5178.600000111.9Q160 Y161 E162 Q167 R168Q160-A164 WeakPolarHBondContact O-CB 3.46Å; Q160-A164 PolarHBondContact O-N 3.48Å; Y161-A164 PolarHBondContact O-N 3.47Å; E162-A164 PolarHBondContact O-N 2.95Å; A164-Q167 PolarHBondContact O-N 3.33Å; A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.11Å; A164-R168 VanDerWaalsContact O-N 3.08Å
165A92Very high83.4Confident24 Ų24110.4 Ų110.420%0.19856%0.555CS.*Hα-helixtrans-65.9-40.9175.500000112Y161 E162 R163 R168 K169Y161-A165 VanDerWaalsContact O-CB 3.29Å; Y161-A165 WeakPolarHBondContact O-CB 3.45Å; Y161-A165 PolarHBondContact O-N 3.01Å; E162-A165 PolarHBondContact O-N 2.82Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.36Å; A165-R168 PolarHBondContact O-N 2.96Å; A165-K169 WeakPolarHBondContact O-CG 3.42Å; A165-K169 PolarHBondContact O-N 2.89Å; A165-K169 VanDerWaalsContact O-N 3.09Å
166H90.5Very high80.9Confident129 Ų129117 Ų11760%0.59758%0.575SS**Hα-helixtrans-63.7-43.1173.9-82.2-69.7000112.1E162 R163 R168 K169 A170E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-CD2 3.2Å; E162-H166 PolarHBondContact O-N 3.18Å; R163-H166 PolarHBondContact O-N 3.39Å; H166-R168 PolarHBondContact O-N 2.96Å; H166-K169 PolarHBondContact O-N 2.86Å; H166-K169 VanDerWaalsContact O-N 3.13Å; H166-A170 PolarHBondContact O-N 3.27Å
167Q89.1Confident78.2Confident145 Ų145120.5 Ų120.568%0.67859%0.589SS**Hα-helixtrans-61.3-41.9176.9-169.7174.610.700112.1R163 A164 K169 A170 S171R163-Q167 PolarHBondContact O-N 3.04Å; A164-Q167 PolarHBondContact O-N 3.33Å; Q167-K169 VanDerWaalsContact C-N 3.31Å; Q167-K169 PolarHBondContact O-N 3.33Å; Q167-A170 PolarHBondContact O-N 2.92Å; Q167-S171 PolarHBondContact O-N 3.47Å; Q167-S171 VanDerWaalsContact O-N 3.13Å
168R85.9Confident75.9Confident153 Ų153127.4 Ų127.458%0.57761%0.608SS**Hα-helixtrans-68.1-26.3174.8-69-178.8-157.5135.92.6114A164 A165 H166 S171A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.11Å; A164-R168 VanDerWaalsContact O-N 3.08Å; A165-R168 PolarHBondContact O-N 2.96Å; H166-R168 PolarHBondContact O-N 2.96Å; R168-S171 PolarHBondContact O-OG 2.97Å
169K84Confident73.2Confident147 Ų147127 Ų12764%0.63962%0.617SS**Hα-helixtrans-78.1-42.1174.8-74.9176.9-179-179.20110.9A165 H166 Q167 S171 K172A165-K169 WeakPolarHBondContact O-CG 3.42Å; A165-K169 PolarHBondContact O-N 2.89Å; A165-K169 VanDerWaalsContact O-N 3.09Å; H166-K169 PolarHBondContact O-N 2.86Å; H166-K169 VanDerWaalsContact O-N 3.13Å; Q167-K169 VanDerWaalsContact C-N 3.31Å; Q167-K169 PolarHBondContact O-N 3.33Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 3.49Å; K169-K172 WeakPolarHBondContact O-CB 3.37Å; K169-K172 PolarHBondContact O-N 2.87Å; K169-K172 VanDerWaalsContact O-N 3.16Å
170A78.2Confident70.8Confident71 Ų71131.8 Ų131.859%0.58763%0.633SS**Hα-helixtrans-65.1-31177.600000112.9H166 Q167 K172H166-A170 PolarHBondContact O-N 3.27Å; Q167-A170 PolarHBondContact O-N 2.92Å; A170-K172 PolarHBondContact O-N 3.16Å
171S64.6Low68.1Low94 Ų94134.3 Ų134.366%0.65766%0.657SS**THydrogen-bonded Turntrans-74.8-1.9175.368.60000114.5Q167 R168 K169Q167-S171 PolarHBondContact O-N 3.47Å; Q167-S171 VanDerWaalsContact O-N 3.13Å; R168-S171 PolarHBondContact O-OG 2.97Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 3.49Å
172K61Low65.7Low167 Ų167132.5 Ų132.573%0.72665%0.652SS**THydrogen-bonded Turntrans-94.11.7178.1-73.3-175.9178.8-172.10113.9K169 A170 P174K169-K172 WeakPolarHBondContact O-CB 3.37Å; K169-K172 PolarHBondContact O-N 2.87Å; K169-K172 VanDerWaalsContact O-N 3.16Å; A170-K172 PolarHBondContact O-N 3.16Å; K172-P174 WeakPolarHBondContact O-CD 3.29Å
173D52Low63.2Low131 Ų131136.8 Ų136.870%0.70168%0.678SS**  trans-87.3108165.4-71.3-35.3000108.7E175D173-E175 PolarHBondContact O-N 3.17Å
174P45.6Very low61.2Low125 Ų125136 Ų13681%0.81268%0.682SS**  trans-8758.6-176.437.6-33.4000110.2K172K172-P174 WeakPolarHBondContact O-CD 3.29Å
175E46Very low58.9Low170 Ų170142.7 Ų142.779%0.79470%0.701SS**  trans-146.981.1168.3-73.7-166.5174.100109.7D173D173-E175 PolarHBondContact O-N 3.17Å
176K45.9Very low56.8Low201 Ų201148.5 Ų148.587%0.87473%0.729SS**  trans168.1101.8141.1-87.6151.8-163.7179.60110.2
177E40.1Very low54.8Low169 Ų169149.7 Ų149.779%0.7974%0.74SS**  trans-47.5135.4146.6-75.6174131.700108.8
178Y50.2Low53.1Low209 Ų209149.5 Ų149.582%0.8273%0.734SS**  trans168.496.8138-77.8-57.3000107.7
179T39.5Very low51.5Low126 Ų126149.1 Ų149.177%0.77374%0.743SS**  trans22.4109.7137.452.20000117.4
180K47.6Very low50.1Low204 Ų204147.2 Ų147.289%0.88775%0.746SS**  -169.6128.4128.3-105.7164.1-174.6179.10112
181S38.3Very low48.6Very low110 Ų110148.3 Ų148.377%0.76975%0.749SS**  trans-35.1127.6170.553.20000115.2
182F44.4Very low47.8Very low123 Ų123148.8 Ų148.854%0.53975%0.75SS.*  trans-148.868.8156.1-156.2-82.5000110.8Q184 Y185F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 VanDerWaalsContact CE1-C 3.43Å; F182-Q184 HydrophobicContact CE1-CB 3.89Å; F182-Q184 WeakPolarHBondContact CE1-O 3.46Å; F182-Q184 HydrophobicContact CZ-CB 3.96Å; F182-Q184 PolarHBondContact O-N 3.05Å; F182-Y185 AromaticContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CE2 4Å; F182-Y185 HydrophobicContact CE1-CD1 4.36Å; F182-Y185 AromaticContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CE1 4.46Å; F182-Y185 AromaticContact CE1-CE2 3.03Å; F182-Y185 HydrophobicContact CE1-CE2 3.03Å; F182-Y185 AromaticContact CE1-CG 3.59Å; F182-Y185 HydrophobicContact CE1-CG 3.59Å; F182-Y185 AromaticContact CE1-CZ 3.82Å; F182-Y185 AromaticContact CE2-CE2 3.95Å; F182-Y185 HydrophobicContact CE2-CE2 3.95Å; F182-Y185 AromaticContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CD2 3.45Å; F182-Y185 VanDerWaalsContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CE1 4.23Å; F182-Y185 AromaticContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CG 4.18Å; F182-Y185 AromaticContact CZ-CZ 3.4Å
183D45.1Very low47.2Very low169 Ų169148 Ų14890%0.90475%0.753SS**  trans-83.974.6161.9-75.8-37.1000108.6
184Q51.5Low47.3Very low157 Ų157148.9 Ų148.973%0.73476%0.757SS**  trans-165.244.5172.4-136169.722.400117.2F182F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 VanDerWaalsContact CE1-C 3.43Å; F182-Q184 HydrophobicContact CE1-CB 3.89Å; F182-Q184 WeakPolarHBondContact CE1-O 3.46Å; F182-Q184 HydrophobicContact CZ-CB 3.96Å; F182-Q184 PolarHBondContact O-N 3.05Å
185Y45.5Very low47.9Very low172 Ų172150.2 Ų150.268%0.67575%0.753SS**  trans-142.565.4166.4-74.7-52.3000112F182 Y188F182-Y185 AromaticContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CE2 4Å; F182-Y185 HydrophobicContact CE1-CD1 4.36Å; F182-Y185 AromaticContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CE1 4.46Å; F182-Y185 AromaticContact CE1-CE2 3.03Å; F182-Y185 HydrophobicContact CE1-CE2 3.03Å; F182-Y185 AromaticContact CE1-CG 3.59Å; F182-Y185 HydrophobicContact CE1-CG 3.59Å; F182-Y185 AromaticContact CE1-CZ 3.82Å; F182-Y185 AromaticContact CE2-CE2 3.95Å; F182-Y185 HydrophobicContact CE2-CE2 3.95Å; F182-Y185 AromaticContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CD2 3.45Å; F182-Y185 VanDerWaalsContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CE1 4.23Å; F182-Y185 AromaticContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CG 4.18Å; F182-Y185 AromaticContact CZ-CZ 3.4Å; Y185-Y188 HydrophobicContact CD1-CE2 4.34Å
186D47.9Very low48.4Very low146 Ų146147.7 Ų147.778%0.78175%0.751SS**  trans-112.623.5168.8-151.715.1000112.7
187N48.9Very low49Very low155 Ų155150 Ų15083%0.82975%0.754SS**  trans-100.424.9-179-77-22.1000114
188Y52.3Low50Low141 Ų141150.2 Ų150.255%0.55375%0.753SS**  trans-105.926.7177.9-71.7-71000113.8Y185Y185-Y188 HydrophobicContact CD1-CE2 4.34Å
189L53.8Low51Low145 Ų145149.1 Ų149.176%0.75975%0.752SS**SBendtrans-70.4134.2159.5-69.5176.3000108.6S191L189-S191 PolarHBondContact O-N 3.37Å
190P54.7Low52.3Low107 Ų107149.3 Ų149.370%0.69576%0.755SS**PPolyproline II helixtrans-59.9119.1-179.120.6-25.2000108.2
191S45.2Very low53.5Low93 Ų93145.2 Ų145.265%0.6575%0.747SS**PPolyproline II helixtrans-51.6125.8179.3-158.10000108.5L189 N193L189-S191 PolarHBondContact O-N 3.37Å; S191-N193 PolarHBondContact O-N 3.16Å
192P49.1Very low55.1Low105 Ų105146.6 Ų146.668%0.68275%0.751SS**  trans-71.680.2172.529.6-30.4000107.4L194P192-L194 PolarHBondContact O-N 3.33Å
193N47Very low56.4Low149 Ų149145.3 Ų145.380%0.79775%0.75SS**  trans-71.639.4162.5-86.2-18.6000110.8S191 E195S191-N193 PolarHBondContact O-N 3.16Å; N193-E195 PolarHBondContact O-N 3.38Å
194L54.5Low57.9Low150 Ų150140 Ų14079%0.78573%0.725SS**  trans-79.988.9150.3-65.1176000104.5P192 P196P192-L194 PolarHBondContact O-N 3.33Å; L194-P196 VanDerWaalsContact O-N 3.14Å
195E57.5Low59.2Low153 Ų153138.9 Ų138.972%0.71573%0.732SS**  trans-45.1126.9161.2-75.6-171.8163.500107.2N193 R197N193-E195 PolarHBondContact O-N 3.38Å; E195-R197 PolarHBondContact O-N 3Å
196P57.1Low61Low117 Ų117135.6 Ų135.676%0.7673%0.734SS**  trans-51.9119177.3-23.431.1000107.7L194 K198L194-P196 VanDerWaalsContact O-N 3.14Å; P196-K198 PolarHBondContact O-N 2.93Å
197R58.5Low62.4Low249 Ų249131 Ų13194%0.9471%0.711SS**  trans-41.2108.1176.3-86.2178.7142.2-164-5.5108.3E195 K199E195-R197 PolarHBondContact O-N 3Å; R197-K199 PolarHBondContact O-N 2.94Å
198K62.4Low63.8Low175 Ų175129.5 Ų129.576%0.76171%0.71SS**PPolyproline II helixtrans-57.3132.9175.8-70-178.2-179.7172.30107.1P196P196-K198 PolarHBondContact O-N 2.93Å
199K69.9Low64.6Low186 Ų186131 Ų13181%0.80972%0.715SS**PPolyproline II helixtrans-52.2149.2172.9-67.1-177.8179.8179.50108.8R197 V201R197-K199 PolarHBondContact O-N 2.94Å; K199-V201 PolarHBondContact O-N 3.42Å
200P66.6Low65.6Low129 Ų129131 Ų13184%0.83872%0.715SS**PPolyproline II helixtrans-50.2118.6177.7-21.630000109.9T202P200-T202 PolarHBondContact O-N 2.73Å
201V72.4Confident66.5Low118 Ų118131.4 Ų131.472%0.71572%0.715SS**  trans-78.9112.9175.5175.70000107K199 L203K199-V201 PolarHBondContact O-N 3.42Å; V201-L203 PolarHBondContact O-N 2.79Å
202T72.8Confident68Low139 Ų139135.1 Ų135.185%0.85372%0.716SS**  trans-67.4111.7171.8-10.30000108.3P200P200-T202 PolarHBondContact O-N 2.73Å
203L72.1Confident69.5Low97 Ų97138.9 Ų138.951%0.50872%0.724SS.*  trans-64.7140.8175.7-61.6176.7000110.3V201 T207V201-L203 PolarHBondContact O-N 2.79Å; L203-T207 HydrophobicContact CD1-CG2 4.45Å; L203-T207 HydrophobicContact CD2-CG2 4.48Å
204S76.2Confident71.2Confident57 Ų57135.7 Ų135.740%0.39971%0.706SS.*  trans-53.9144.4172170.20000110.2S206 T207S204-S206 PolarHBondContact O-N 2.94Å; S204-S206 PolarHBondContact OG-N 3.46Å; S204-S206 PolarHBondContact OG-OG 3.36Å; S204-T207 WeakPolarHBondContact O-CB 3.48Å; S204-T207 PolarHBondContact O-N 2.63Å; S204-T207 PolarHBondContact O-OG1 3.25Å
205P78.8Confident72.8Confident134 Ų134131.6 Ų131.687%0.8769%0.688SS**THydrogen-bonded Turntrans-57.8-17.3172.715.7-23.1000113.6
206S82.7Confident74.3Confident102 Ų102129.4 Ų129.471%0.71368%0.682SS**THydrogen-bonded Turntrans-86.7-7.6175.374.70000114.7S204 P208S204-S206 PolarHBondContact O-N 2.94Å; S204-S206 PolarHBondContact OG-N 3.46Å; S204-S206 PolarHBondContact OG-OG 3.36Å; S206-P208 WeakPolarHBondContact O-CD 3.39Å
207T78Confident76Confident50 Ų50130.4 Ų130.431%0.30767%0.674SS.*SBendtrans-75.2124.7-177.7-55.20000109.5L203 S204 R209L203-T207 HydrophobicContact CD1-CG2 4.45Å; L203-T207 HydrophobicContact CD2-CG2 4.48Å; S204-T207 WeakPolarHBondContact O-CB 3.48Å; S204-T207 PolarHBondContact O-N 2.63Å; S204-T207 PolarHBondContact O-OG1 3.25Å; T207-R209 PolarHBondContact O-N 2.95Å
208P79Confident77.6Confident123 Ų123121.7 Ų121.780%0.79965%0.646SS**PPolyproline II helixtrans-53.2123.7174.9-22.130.9000109.9S206S206-P208 WeakPolarHBondContact O-CD 3.39Å
209R68.6Low78.8Confident173 Ų173117.1 Ų117.165%0.65363%0.629SS**PPolyproline II helixtrans-98.6130.4175.8-67.3-177.8-179.7-154.3-1.1108.3T207 V211T207-R209 PolarHBondContact O-N 2.95Å; R209-V211 VanDerWaalsContact C-N 3.31Å; R209-V211 HydrophobicContact CB-CG2 4.33Å; R209-V211 PolarHBondContact O-N 3.36Å
210L74.5Confident80Confident146 Ų146115.4 Ų115.476%0.76462%0.618SS**  trans-65.997.2162.2-69.8167.8000107.1Y212L210-Y212 HydrophobicContact CB-CD2 4.47Å; L210-Y212 HydrophobicContact CB-CE2 4.01Å; L210-Y212 PolarHBondContact O-N 3.41Å
211V73.1Confident81.3Confident114 Ų114112.1 Ų112.169%0.69160%0.598SS**  trans-87.695.3170.4-177.80000106.4R209 Q213R209-V211 VanDerWaalsContact C-N 3.31Å; R209-V211 HydrophobicContact CB-CG2 4.33Å; R209-V211 PolarHBondContact O-N 3.36Å; V211-Q213 PolarHBondContact O-N 2.95Å
212Y77.7Confident82.4Confident172 Ų172110.7 Ų110.768%0.67559%0.586SS**  trans-66.8106.9168-64.9-84.5000107.7L210 I214L210-Y212 HydrophobicContact CB-CD2 4.47Å; L210-Y212 HydrophobicContact CB-CE2 4.01Å; L210-Y212 PolarHBondContact O-N 3.41Å; Y212-I214 HydrophobicContact CG-CD1 4.4Å; Y212-I214 PolarHBondContact O-N 3.46Å
213Q80.8Confident83.4Confident184 Ų184107.6 Ų107.686%0.8657%0.567SS**  trans-74.671.1167.9-70.6-176.22.200108.4V211V211-Q213 PolarHBondContact O-N 2.95Å
214I82.5Confident84.6Confident81 Ų81109.7 Ų109.742%0.41557%0.574SS.*  trans-88.1122.9173.1-60164.2000106.5Y212 D216 D218 I219Y212-I214 HydrophobicContact CG-CD1 4.4Å; Y212-I214 PolarHBondContact O-N 3.46Å; I214-D216 PolarHBondContact O-N 3.43Å; I214-D218 HydrophobicContact CG2-CB 3.8Å; I214-I219 HydrophobicContact CB-CD1 4.25Å; I214-I219 HydrophobicContact CB-CG1 3.96Å; I214-I219 HydrophobicContact CG2-CD1 4.38Å; I214-I219 HydrophobicContact CG2-CG1 3.57Å
215P88.6Confident85.5Confident64 Ų64112.2 Ų112.242%0.41658%0.583SS.*  trans-54.8139174.4-25.534.4000111.5K217 D218 I219P215-K217 HydrophobicContact CB-CD 4.37Å; P215-K217 HydrophobicContact CB-CG 3.67Å; P215-K217 PolarHBondContact O-N 2.98Å; P215-D218 WeakPolarHBondContact CD-OD2 3.4Å; P215-D218 WeakPolarHBondContact CG-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.06Å; P215-I219 PolarHBondContact O-N 3.14Å
216D88.6Confident86.2Confident107 Ų107110.9 Ų110.957%0.57257%0.567SS**Hα-helixtrans-54.7-26.5-179.3-69.2-30.5000113.6I214 R220I214-D216 PolarHBondContact O-N 3.43Å; D216-R220 VanDerWaalsContact CB-NH2 3.33Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CG 3.28Å; D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.13Å; D216-R220 PolarHBondContact O-NE 2.89Å
217K91.6Very high86.8Confident138 Ų138111.2 Ų111.260%0.656%0.56SS**Hα-helixtrans-62.1-40.5174.354.5164.4-167.6178.90112.5P215 R220 S221P215-K217 HydrophobicContact CB-CD 4.37Å; P215-K217 HydrophobicContact CB-CG 3.67Å; P215-K217 PolarHBondContact O-N 2.98Å; K217-R220 PolarHBondContact O-N 2.9Å; K217-S221 PolarHBondContact O-N 2.94Å; K217-S221 VanDerWaalsContact O-N 3.09Å
218D92.4Very high87.7Confident66 Ų66111.6 Ų111.635%0.35357%0.568SS.*Hα-helixtrans-78.9-39.4-175.2-57.8-25.4000108.9I214 P215 R220 S221 D222I214-D218 HydrophobicContact CG2-CB 3.8Å; P215-D218 WeakPolarHBondContact CD-OD2 3.4Å; P215-D218 WeakPolarHBondContact CG-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.06Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.97Å; D218-S221 PolarHBondContact O-N 3.47Å; D218-D222 PolarHBondContact O-N 2.87Å
219I89.1Confident88.5Confident80 Ų80108.4 Ų108.441%0.4155%0.553SS.*Hα-helixtrans-56.2-46.2171-55.5178.1000110.8I214 P215 D222 V223I214-I219 HydrophobicContact CB-CD1 4.25Å; I214-I219 HydrophobicContact CB-CG1 3.96Å; I214-I219 HydrophobicContact CG2-CD1 4.38Å; I214-I219 HydrophobicContact CG2-CG1 3.57Å; P215-I219 PolarHBondContact O-N 3.14Å; I219-D222 PolarHBondContact O-N 3.41Å; I219-V223 VanDerWaalsContact O-CG2 3.26Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 3.47Å
220R93.4Very high89.7Confident150 Ų150103.4 Ų103.457%0.56654%0.541SS*.Hα-helixtrans-64-44.1179.1-78.4-176.2-75.9-102.31.6112.4D216 K217 D218 D222 V223 E224D216-R220 VanDerWaalsContact CB-NH2 3.33Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CG 3.28Å; D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.13Å; D216-R220 PolarHBondContact O-NE 2.89Å; K217-R220 PolarHBondContact O-N 2.9Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.97Å; R220-D222 VanDerWaalsContact C-N 3.34Å; R220-D222 PolarHBondContact O-N 3.33Å; R220-V223 PolarHBondContact O-N 2.98Å; R220-E224 PolarHBondContact O-N 3.48Å
221S94.7Very high90.7Very high59 Ų59103.8 Ų103.841%0.41354%0.536SS..Hα-helixtrans-57.9-46.5176.1178.70000111.6K217 D218 V223 E224 L225K217-S221 PolarHBondContact O-N 2.94Å; K217-S221 VanDerWaalsContact O-N 3.09Å; D218-S221 PolarHBondContact O-N 3.47Å; S221-V223 PolarHBondContact O-N 3.25Å; S221-E224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.34Å
222D94.5Very high91.7Very high89 Ų89106.4 Ų106.448%0.47654%0.538SS..Hα-helixtrans-65.4-40.4179.1-76.3-4.2000112.2D218 I219 R220 E224 L225 I226D218-D222 PolarHBondContact O-N 2.87Å; I219-D222 PolarHBondContact O-N 3.41Å; R220-D222 VanDerWaalsContact C-N 3.34Å; R220-D222 PolarHBondContact O-N 3.33Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.48Å; D222-I226 WeakPolarHBondContact O-CB 3.33Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.36Å; D222-I226 PolarHBondContact O-N 3.3Å
223V94.7Very high92.4Very high74 Ų74104.6 Ų104.645%0.44854%0.536SS..Hα-helixtrans-60.9-41.3175.4169.40000111.2I219 R220 S221 I226 L227I219-V223 VanDerWaalsContact O-CG2 3.26Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 3.47Å; R220-V223 PolarHBondContact O-N 2.98Å; S221-V223 PolarHBondContact O-N 3.25Å; V223-I226 PolarHBondContact O-N 2.88Å; V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.4Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 3.45Å
224E96.3Very high93Very high141 Ų141102.8 Ų102.866%0.65953%0.525SS*.Hα-helixtrans-63.3-44.3174.9-75.4-179.2-174.600112.1R220 S221 D222 I226 L227 A228R220-E224 PolarHBondContact O-N 3.48Å; S221-E224 PolarHBondContact O-N 3.48Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.34Å; E224-I226 PolarHBondContact O-N 3Å; E224-L227 PolarHBondContact O-N 3.41Å; E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 2.93Å
225L95.5Very high93.5Very high110 Ų110103.2 Ų103.258%0.57653%0.528SS*.Hα-helixtrans-60.6-44.2176.1-72.8171.8000111.8S221 D222 A228 A229S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.48Å; L225-A228 PolarHBondContact O-N 2.91Å; L225-A229 WeakPolarHBondContact O-CB 3.38Å; L225-A229 PolarHBondContact O-N 3.18Å
226I94.1Very high93.6Very high106 Ų106102.9 Ų102.954%0.54453%0.53SS..Hα-helixtrans-63.1-48177.2-68.7164.3000110.3D222 V223 E224 A228 A229 V230D222-I226 WeakPolarHBondContact O-CB 3.33Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.36Å; D222-I226 PolarHBondContact O-N 3.3Å; V223-I226 PolarHBondContact O-N 2.88Å; E224-I226 PolarHBondContact O-N 3Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.96Å; I226-A229 PolarHBondContact O-N 2.98Å; I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CB 3.4Å; I226-V230 VanDerWaalsContact O-CG2 3.27Å; I226-V230 WeakPolarHBondContact O-CG2 3.29Å; I226-V230 PolarHBondContact O-N 3.32Å
227L95.6Very high93.7Very high109 Ų109103.2 Ų103.257%0.57153%0.527SS*.Hα-helixtrans-62.4-40.6178.8-73.5171.4000111.8V223 E224 V230 K231V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.4Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 3.45Å; E224-L227 PolarHBondContact O-N 3.41Å; L227-V230 PolarHBondContact O-N 2.93Å; L227-K231 WeakPolarHBondContact O-CB 3.5Å; L227-K231 PolarHBondContact O-N 3.42Å
228A96.4Very high93.6Very high57 Ų5799.3 Ų99.347%0.47152%0.521SS..Hα-helixtrans-63.2-44.3175.100000111.8E224 L225 I226 K231 K232E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 2.93Å; L225-A228 PolarHBondContact O-N 2.91Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.96Å; A228-K231 PolarHBondContact O-N 2.93Å; A228-K232 WeakPolarHBondContact O-CB 3.39Å; A228-K232 PolarHBondContact O-N 2.98Å
229A95.1Very high93.5Very high57 Ų57101.8 Ų101.847%0.47153%0.531SS..Hα-helixtrans-63.2-44.6176.600000112L225 I226 K231 K232 H233L225-A229 WeakPolarHBondContact O-CB 3.38Å; L225-A229 PolarHBondContact O-N 3.18Å; I226-A229 PolarHBondContact O-N 2.98Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 3.42Å; A229-K232 PolarHBondContact O-N 3.41Å; A229-H233 WeakPolarHBondContact O-CB 3.42Å; A229-H233 PolarHBondContact O-N 3.47Å
230V95.7Very high93.4Very high67 Ų67100.3 Ų100.341%0.40653%0.528SS..Hα-helixtrans-62.2-42176.1170.80000111I226 L227 H233 K234I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CB 3.4Å; I226-V230 VanDerWaalsContact O-CG2 3.27Å; I226-V230 WeakPolarHBondContact O-CG2 3.29Å; I226-V230 PolarHBondContact O-N 3.32Å; L227-V230 PolarHBondContact O-N 2.93Å; V230-H233 PolarHBondContact O-N 3.22Å; V230-K234 HydrophobicContact CG1-CD 4.31Å; V230-K234 WeakPolarHBondContact O-CB 3.38Å; V230-K234 WeakPolarHBondContact O-CG 3.49Å; V230-K234 PolarHBondContact O-N 2.95Å
231K94.8Very high93Very high155 Ų15595.6 Ų95.667%0.67451%0.513SS*.Hα-helixtrans-63.2-45.2176.4-171.2176.3-178.2179.50111.4L227 A228 A229 H233 K234 L235L227-K231 WeakPolarHBondContact O-CB 3.5Å; L227-K231 PolarHBondContact O-N 3.42Å; A228-K231 PolarHBondContact O-N 2.93Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 3.42Å; K231-H233 PolarHBondContact O-N 3.37Å; K231-K234 PolarHBondContact O-N 2.95Å; K231-L235 WeakPolarHBondContact O-CB 3.08Å; K231-L235 PolarHBondContact O-N 2.82Å
232K93.9Very high92.4Very high168 Ų16899 Ų9973%0.7353%0.526SS*.Hα-helixtrans-60.7-43.5175.7-173.7179.6179.3-179.30111.5A228 A229 L235 A236A228-K232 WeakPolarHBondContact O-CB 3.39Å; A228-K232 PolarHBondContact O-N 2.98Å; A229-K232 PolarHBondContact O-N 3.41Å; K232-L235 PolarHBondContact O-N 2.95Å; K232-A236 WeakPolarHBondContact O-CB 3.29Å; K232-A236 PolarHBondContact O-N 3.39Å
233H92.6Very high91.6Very high135 Ų135103.5 Ų103.563%0.62554%0.541SS*.Hα-helixtrans-64.6-45.4177.8-174.576.5000112.1A229 V230 K231 L235 A236 F237A229-H233 WeakPolarHBondContact O-CB 3.42Å; A229-H233 PolarHBondContact O-N 3.47Å; V230-H233 PolarHBondContact O-N 3.22Å; K231-H233 PolarHBondContact O-N 3.37Å; H233-L235 VanDerWaalsContact C-N 3.31Å; H233-L235 PolarHBondContact O-N 3.3Å; H233-A236 PolarHBondContact O-N 3.46Å; H233-F237 WeakPolarHBondContact O-CB 3.37Å; H233-F237 PolarHBondContact O-N 3.47Å
234K92.9Very high90.6Very high145 Ų145105.6 Ų105.663%0.6355%0.55SS*.Hα-helixtrans-59.3-41.9175-76.4-178.4178.4-177.40112.1V230 K231 F237 A238V230-K234 HydrophobicContact CG1-CD 4.31Å; V230-K234 WeakPolarHBondContact O-CB 3.38Å; V230-K234 WeakPolarHBondContact O-CG 3.49Å; V230-K234 PolarHBondContact O-N 2.95Å; K231-K234 PolarHBondContact O-N 2.95Å; K234-F237 PolarHBondContact O-N 3.31Å; K234-A238 WeakPolarHBondContact O-CB 3.36Å; K234-A238 PolarHBondContact O-N 2.87Å
235L92.4Very high88.9Confident91 Ų91102.1 Ų102.148%0.47655%0.552SS.*Hα-helixtrans-68.5-42.8179.6-156.4155.4000111.3K231 K232 H233 F237 A238 M239K231-L235 WeakPolarHBondContact O-CB 3.08Å; K231-L235 PolarHBondContact O-N 2.82Å; K232-L235 PolarHBondContact O-N 2.95Å; H233-L235 VanDerWaalsContact C-N 3.31Å; H233-L235 PolarHBondContact O-N 3.3Å; L235-F237 PolarHBondContact O-N 3.31Å; L235-A238 PolarHBondContact O-N 3.47Å; L235-M239 HydrophobicContact CD2-CE 3.5Å; L235-M239 VanDerWaalsContact CD2-CE 3.5Å; L235-M239 HydrophobicContact CD2-CG 4.13Å; L235-M239 HydrophobicContact CD2-SD 3.74Å; L235-M239 WeakPolarHBondContact O-CB 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.49Å; L235-M239 PolarHBondContact O-N 3.46Å
236A91.4Very high87.2Confident56 Ų56104.9 Ų104.946%0.46356%0.559SS.*Hα-helixtrans-62.3-40.9173.700000112.3K232 H233 M239 S240K232-A236 WeakPolarHBondContact O-CB 3.29Å; K232-A236 PolarHBondContact O-N 3.39Å; H233-A236 PolarHBondContact O-N 3.46Å; A236-M239 PolarHBondContact O-N 3.44Å; A236-S240 PolarHBondContact O-N 3.45Å
237F91.1Very high85.3Confident114 Ų114105.1 Ų105.150%0.556%0.56SS.*Hα-helixtrans-64.4-44174.6-177.1-96000111.8H233 K234 L235 M239 S240 Q241H233-F237 WeakPolarHBondContact O-CB 3.37Å; H233-F237 PolarHBondContact O-N 3.47Å; K234-F237 PolarHBondContact O-N 3.31Å; L235-F237 PolarHBondContact O-N 3.31Å; F237-M239 PolarHBondContact O-N 2.9Å; F237-S240 PolarHBondContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.09Å; F237-Q241 HydrophobicContact CD1-CG 4.34Å; F237-Q241 HydrophobicContact CE1-CG 4.06Å; F237-Q241 HydrophobicContact CZ-CG 4.31Å; F237-Q241 VanDerWaalsContact O-CG 3.29Å; F237-Q241 WeakPolarHBondContact O-CG 3.5Å; F237-Q241 PolarHBondContact O-N 3.15Å; F237-Q241 VanDerWaalsContact O-N 3.1Å
238A88.5Confident82.8Confident57 Ų57113.2 Ų113.247%0.47159%0.591SS.*Hα-helixtrans-62.4-42.3175.500000112K234 L235 S240 Q241 L242K234-A238 WeakPolarHBondContact O-CB 3.36Å; K234-A238 PolarHBondContact O-N 2.87Å; L235-A238 PolarHBondContact O-N 3.47Å; A238-S240 PolarHBondContact O-N 3.08Å; A238-Q241 PolarHBondContact O-N 2.84Å; A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.1Å
239M89.8Confident82.1Confident117 Ų117116.1 Ų116.158%0.57660%0.597SS**Hα-helixtrans-66-35176.8-75.4-172.4169.200113.1L235 A236 F237 L242 K243L235-M239 HydrophobicContact CD2-CE 3.5Å; L235-M239 VanDerWaalsContact CD2-CE 3.5Å; L235-M239 HydrophobicContact CD2-CG 4.13Å; L235-M239 HydrophobicContact CD2-SD 3.74Å; L235-M239 WeakPolarHBondContact O-CB 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.49Å; L235-M239 PolarHBondContact O-N 3.46Å; A236-M239 PolarHBondContact O-N 3.44Å; F237-M239 PolarHBondContact O-N 2.9Å; M239-L242 PolarHBondContact O-N 3.13Å; M239-K243 PolarHBondContact O-N 3.43Å
240S87.1Confident81.4Confident49 Ų49119.2 Ų119.234%0.34360%0.603SS.*Hα-helixtrans-70.5-36.1176.771.80000112.1A236 F237 A238 K243 N244A236-S240 PolarHBondContact O-N 3.45Å; F237-S240 PolarHBondContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.09Å; A238-S240 PolarHBondContact O-N 3.08Å; S240-K243 PolarHBondContact O-N 3.44Å; S240-N244 WeakPolarHBondContact O-CB 3.33Å; S240-N244 PolarHBondContact O-N 3.28Å
241Q85Confident80.6Confident52 Ų52122.1 Ų122.124%0.24361%0.614CS.*Hα-helixtrans-66.4-36.3173.6-62.7-69.416.600112.3F237 A238 K246 I247F237-Q241 HydrophobicContact CD1-CG 4.34Å; F237-Q241 HydrophobicContact CE1-CG 4.06Å; F237-Q241 HydrophobicContact CZ-CG 4.31Å; F237-Q241 VanDerWaalsContact O-CG 3.29Å; F237-Q241 WeakPolarHBondContact O-CG 3.5Å; F237-Q241 PolarHBondContact O-N 3.15Å; F237-Q241 VanDerWaalsContact O-N 3.1Å; A238-Q241 PolarHBondContact O-N 2.84Å; Q241-K246 PolarHBondContact O-N 3.24Å; Q241-I247 HydrophobicContact CB-CD1 3.89Å; Q241-I247 HydrophobicContact CB-CG1 4.47Å
242L82Confident79.8Confident131 Ų131120.1 Ų120.169%0.68661%0.611SS**Hα-helixtrans-67.5-44.7175-160.892.1000111.8A238 M239 N244 G245A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.1Å; M239-L242 PolarHBondContact O-N 3.13Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 3.16Å; L242-G245 PolarHBondContact O-N 3.41Å
243K79.5Confident78.9Confident183 Ų183117.1 Ų117.180%0.79660%0.603SS**Hα-helixtrans-66.6-32.9178.6-78.9-174.3178.2-176.40113.3M239 S240 G245M239-K243 PolarHBondContact O-N 3.43Å; S240-K243 PolarHBondContact O-N 3.44Å; K243-G245 PolarHBondContact O-N 2.91Å
244N73.8Confident78Confident118 Ų118115.9 Ų115.963%0.63160%0.602SS**THydrogen-bonded Turntrans-85.811.4-178.8-69.7-9.7000113.6S240 L242 K246S240-N244 WeakPolarHBondContact O-CB 3.33Å; S240-N244 PolarHBondContact O-N 3.28Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 3.16Å; N244-K246 PolarHBondContact O-N 3.02Å
245G60Low76.9Confident68 Ų68113.9 Ų113.970%0.70160%0.6SS**THydrogen-bonded Turntrans64.223.5172.200000114.6L242 K243L242-G245 PolarHBondContact O-N 3.41Å; K243-G245 PolarHBondContact O-N 2.91Å
246K59.3Low75.7Confident167 Ų167115.6 Ų115.673%0.72661%0.609SS**  trans-95.74.8-176.2-78.5-169.4176.8-178.80114.9Q241 N244Q241-K246 PolarHBondContact O-N 3.24Å; N244-K246 PolarHBondContact O-N 3.02Å
247I54.5Low74.4Confident111 Ų111120.6 Ų120.657%0.56962%0.622SS**  trans-140.1110174.7-50175.9000108.1Q241Q241-I247 HydrophobicContact CB-CD1 3.89Å; Q241-I247 HydrophobicContact CB-CG1 4.47Å
248K42.6Very low72.9Confident280 Ų280121.2 Ų121.2100%1.21763%0.633SS**  trans-88.90155-89.8-172.3176.9-178.80108.1

Retrieved 248 of 248 residues in 351 ms (Link to these results)