A0A060D1S0_MAIZE Loading...

Protein TIFY

Repressor of jasmonate responses.

AlphaFold DB , UniProt , Accession A0A060D1S0, Species MAIZE (Zea mays, Maize), Gene ZIM21, Length 216 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.4Very low69.1Low250 Ų250125.9 Ų125.9100%1.23272%0.723SS**  090.30-71.9-76.8-169.300108.3
2A46.1Very low71Confident98 Ų98122 Ų12281%0.8170%0.703SS**  trans-106.2119.7175.100000108S4A2-S4 PolarHBondContact O-N 3Å
3A49.8Very low72.5Confident106 Ų106117.4 Ų117.488%0.87668%0.681SS**  trans-64.5102.6-177.800000110.2G5A3-G5 PolarHBondContact O-N 2.94Å
4S59Low73.9Confident104 Ų104113.5 Ų113.573%0.72767%0.669SS**  trans-7283.4168-178.30000108.6A2 N6A2-S4 PolarHBondContact O-N 3Å; S4-N6 PolarHBondContact O-N 3.24Å
5G62.3Low75.2Confident53 Ų53117.5 Ų117.555%0.54667%0.669SS.*  trans-67.2113.1166.300000108.9A3 N7A3-G5 PolarHBondContact O-N 2.94Å; G5-N7 PolarHBondContact O-N 2.75Å
6N72Confident76.4Confident155 Ų155116.5 Ų116.583%0.82966%0.66SS**  trans-67.149176.3-78.62.8000112.7S4 R8S4-N6 PolarHBondContact O-N 3.24Å; N6-R8 PolarHBondContact O-N 3.45Å
7N81.9Confident77.4Confident96 Ų96119.6 Ų119.651%0.51366%0.659SS.*  trans-79.3119.6176.1-169.4-13.1000109.5G5 F9 S10 L11G5-N7 PolarHBondContact O-N 2.75Å; N7-F9 PolarHBondContact O-N 3.2Å; N7-F9 WeakPolarHBondContact OD1-CB 3.31Å; N7-F9 PolarHBondContact OD1-N 3.19Å; N7-S10 PolarHBondContact O-N 3.45Å; N7-S10 PolarHBondContact O-OG 2.89Å; N7-L11 PolarHBondContact O-N 3.06Å
8R85.5Confident78.2Confident217 Ų217121.9 Ų121.982%0.81966%0.661SS**Hα-helixtrans-50.7-32.2175-73.2-168-84.7-165.1-4.5112.3N6 L11 T12N6-R8 PolarHBondContact O-N 3.45Å; R8-L11 PolarHBondContact O-N 3.04Å; R8-T12 WeakPolarHBondContact O-CG2 3.39Å; R8-T12 PolarHBondContact O-N 3.13Å; R8-T12 PolarHBondContact O-OG1 3.41Å
9F88.3Confident79Confident142 Ų142121.9 Ų121.962%0.62365%0.654SS**Hα-helixtrans-66.3-41.7178.4-177.9-98.4000114.1N7 L11 T12 C13N7-F9 PolarHBondContact O-N 3.2Å; N7-F9 WeakPolarHBondContact OD1-CB 3.31Å; N7-F9 PolarHBondContact OD1-N 3.19Å; F9-L11 VanDerWaalsContact C-N 3.25Å; F9-L11 PolarHBondContact O-N 3.06Å; F9-T12 WeakPolarHBondContact CA-OG1 3.43Å; F9-T12 PolarHBondContact O-N 3.05Å; F9-T12 PolarHBondContact O-OG1 3.43Å; F9-C13 WeakPolarHBondContact O-CB 3.37Å; F9-C13 PolarHBondContact O-N 3.48Å
10S88.3Confident79.6Confident65 Ų65122 Ų12246%0.45565%0.652SS.*Hα-helixtrans-67.3-33.9178.657.30000110.8N7 A14N7-S10 PolarHBondContact O-N 3.45Å; N7-S10 PolarHBondContact O-OG 2.89Å; S10-A14 VanDerWaalsContact O-CB 3.31Å; S10-A14 WeakPolarHBondContact O-CB 3.18Å; S10-A14 PolarHBondContact O-N 2.96Å
11L89.6Confident80Confident99 Ų99121.6 Ų121.652%0.51865%0.648SS.*Hα-helixtrans-68.6-43.1176.5-151116.3000112.4N7 R8 F9 R15N7-L11 PolarHBondContact O-N 3.06Å; R8-L11 PolarHBondContact O-N 3.04Å; F9-L11 VanDerWaalsContact C-N 3.25Å; F9-L11 PolarHBondContact O-N 3.06Å; L11-R15 WeakPolarHBondContact O-CG 3.44Å; L11-R15 PolarHBondContact O-N 3.29Å
12T92.4Very high82.5Confident79 Ų79114 Ų11449%0.48561%0.609SS.*Hα-helixtrans-69.3-40.5175.255.10000111.9R8 F9 R15 L16R8-T12 WeakPolarHBondContact O-CG2 3.39Å; R8-T12 PolarHBondContact O-N 3.13Å; R8-T12 PolarHBondContact O-OG1 3.41Å; F9-T12 WeakPolarHBondContact CA-OG1 3.43Å; F9-T12 PolarHBondContact O-N 3.05Å; F9-T12 PolarHBondContact O-OG1 3.43Å; T12-R15 PolarHBondContact O-N 3.18Å; T12-L16 WeakPolarHBondContact O-CB 3.3Å; T12-L16 PolarHBondContact O-N 3.16Å
13C90.1Very high84.2Confident62 Ų62113 Ų11342%0.41959%0.587SS.*Hα-helixtrans-64.1-42.5178.1-167.20000111.9F9 R15 L16 R17F9-C13 WeakPolarHBondContact O-CB 3.37Å; F9-C13 PolarHBondContact O-N 3.48Å; C13-R15 PolarHBondContact O-N 3.06Å; C13-L16 PolarHBondContact O-N 2.94Å; C13-R17 WeakPolarHBondContact O-CB 3.49Å; C13-R17 PolarHBondContact O-N 3.4Å
14A92.6Very high85.5Confident63 Ų63112.8 Ų112.852%0.52157%0.572SS.*Hα-helixtrans-62.2-40.8174.100000112.3S10 K18S10-A14 VanDerWaalsContact O-CB 3.31Å; S10-A14 WeakPolarHBondContact O-CB 3.18Å; S10-A14 PolarHBondContact O-N 2.96Å; A14-K18 PolarHBondContact O-N 2.91Å; A14-K18 VanDerWaalsContact O-N 3.07Å
15R93.1Very high86.3Confident174 Ų174116.3 Ų116.366%0.65757%0.569SS**Hα-helixtrans-65.1-45.2175-74.9178.8-176.3173.50.6112.3L11 T12 C13 K18 F19L11-R15 WeakPolarHBondContact O-CG 3.44Å; L11-R15 PolarHBondContact O-N 3.29Å; T12-R15 PolarHBondContact O-N 3.18Å; C13-R15 PolarHBondContact O-N 3.06Å; R15-K18 PolarHBondContact O-N 3.38Å; R15-F19 PolarHBondContact O-N 3.47Å
16L94.6Very high86.5Confident101 Ų101119 Ų11953%0.52957%0.566SS.*Hα-helixtrans-61.9-44177.3179.262.4000111.2T12 C13 K18 F19 M20T12-L16 WeakPolarHBondContact O-CB 3.3Å; T12-L16 PolarHBondContact O-N 3.16Å; C13-L16 PolarHBondContact O-N 2.94Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 2.87Å; L16-F19 PolarHBondContact O-N 3.26Å; L16-F19 VanDerWaalsContact O-N 3.16Å; L16-M20 HydrophobicContact CD1-CG 4.26Å; L16-M20 HydrophobicContact CD1-SD 4.46Å; L16-M20 HydrophobicContact CG-CG 4.46Å; L16-M20 HydrophobicContact CG-SD 4.25Å; L16-M20 WeakPolarHBondContact O-CG 3.47Å; L16-M20 PolarHBondContact O-N 2.89Å
17R92.6Very high85.9Confident170 Ų170116.3 Ų116.364%0.64256%0.555SS**Hα-helixtrans-59.5-42.5176.5-172.2174.4-175.8157.71.4111.6C13 M20 M21C13-R17 WeakPolarHBondContact O-CB 3.49Å; C13-R17 PolarHBondContact O-N 3.4Å; R17-M20 PolarHBondContact O-N 3.27Å; R17-M21 HydrophobicContact CG-CE 3.94Å; R17-M21 HydrophobicContact CG-SD 4.35Å; R17-M21 VanDerWaalsContact O-CG 3.3Å; R17-M21 WeakPolarHBondContact O-CG 3.19Å; R17-M21 PolarHBondContact O-N 3.07Å
18K92.5Very high84.9Confident161 Ų161120.1 Ų120.170%0.756%0.562SS**Hα-helixtrans-63-43.3175-167.4177.7-179.6171.50111.6A14 R15 L16 M21 E22A14-K18 PolarHBondContact O-N 2.91Å; A14-K18 VanDerWaalsContact O-N 3.07Å; R15-K18 PolarHBondContact O-N 3.38Å; L16-K18 VanDerWaalsContact C-N 3.31Å; L16-K18 PolarHBondContact O-N 2.87Å; K18-M21 PolarHBondContact O-N 3.02Å; K18-E22 PolarHBondContact O-N 3.43Å
19F93.3Very high83.6Confident122 Ų122116.6 Ų116.654%0.53556%0.557SS.*Hα-helixtrans-62.8-46.6176.9-179.6-99.2000112.1R15 L16 M21 E22 Q23R15-F19 PolarHBondContact O-N 3.47Å; L16-F19 PolarHBondContact O-N 3.26Å; L16-F19 VanDerWaalsContact O-N 3.16Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 3.02Å; F19-E22 PolarHBondContact O-N 3.33Å; F19-Q23 HydrophobicContact CD1-CG 4Å; F19-Q23 HydrophobicContact CE1-CG 3.6Å; F19-Q23 HydrophobicContact CE2-CG 4.16Å; F19-Q23 HydrophobicContact CG-CG 4.45Å; F19-Q23 HydrophobicContact CZ-CG 3.7Å; F19-Q23 WeakPolarHBondContact O-CG 3.37Å; F19-Q23 PolarHBondContact O-N 3.22Å
20M90.4Very high82.1Confident122 Ų122116.2 Ų116.260%0.60156%0.561SS**Hα-helixtrans-63.1-38178.8-70.8-177.769.800112.6L16 R17 Q23 N24L16-M20 HydrophobicContact CD1-CG 4.26Å; L16-M20 HydrophobicContact CD1-SD 4.46Å; L16-M20 HydrophobicContact CG-CG 4.46Å; L16-M20 HydrophobicContact CG-SD 4.25Å; L16-M20 WeakPolarHBondContact O-CG 3.47Å; L16-M20 PolarHBondContact O-N 2.89Å; R17-M20 PolarHBondContact O-N 3.27Å; M20-Q23 PolarHBondContact O-N 3.42Å; M20-N24 PolarHBondContact O-N 2.93Å
21M89.3Confident80.5Confident115 Ų115119.2 Ų119.257%0.56757%0.572SS**Hα-helixtrans-65.3-39.4174.8-73.6177.9173.700111.9R17 K18 F19 R25R17-M21 HydrophobicContact CG-CE 3.94Å; R17-M21 HydrophobicContact CG-SD 4.35Å; R17-M21 VanDerWaalsContact O-CG 3.3Å; R17-M21 WeakPolarHBondContact O-CG 3.19Å; R17-M21 PolarHBondContact O-N 3.07Å; K18-M21 PolarHBondContact O-N 3.02Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 3.02Å; M21-R25 PolarHBondContact O-N 3.36Å; M21-R25 VanDerWaalsContact O-N 3.15Å
22E88.6Confident78.7Confident90 Ų90120.8 Ų120.842%0.42158%0.58SS.*Hα-helixtrans-69.3-38.8177.1-166.261.5-144.100112.1K18 F19 R25 K26K18-E22 PolarHBondContact O-N 3.43Å; F19-E22 PolarHBondContact O-N 3.33Å; E22-R25 PolarHBondContact O-N 3.26Å; E22-K26 PolarHBondContact O-N 3.21Å
23Q81.1Confident76.6Confident76 Ų76123.6 Ų123.636%0.35560%0.597SS.*Hα-helixtrans-65.2-41175.7-67.5-57.6-29.700111.8F19 M20 R25 K26 V27F19-Q23 HydrophobicContact CD1-CG 4Å; F19-Q23 HydrophobicContact CE1-CG 3.6Å; F19-Q23 HydrophobicContact CE2-CG 4.16Å; F19-Q23 HydrophobicContact CG-CG 4.45Å; F19-Q23 HydrophobicContact CZ-CG 3.7Å; F19-Q23 WeakPolarHBondContact O-CG 3.37Å; F19-Q23 PolarHBondContact O-N 3.22Å; M20-Q23 PolarHBondContact O-N 3.42Å; Q23-R25 PolarHBondContact O-N 3.15Å; Q23-K26 PolarHBondContact O-N 3.07Å; Q23-V27 WeakPolarHBondContact O-CG2 3.23Å; Q23-V27 PolarHBondContact O-N 3.44Å
24N77.4Confident74.3Confident102 Ų102123.1 Ų123.155%0.54560%0.602SS.*Hα-helixtrans-65.8-29.4175.8-162.45.4000111.9M20 R28M20-N24 PolarHBondContact O-N 2.93Å; N24-R28 VanDerWaalsContact O-CG 3.23Å; N24-R28 WeakPolarHBondContact O-CG 3.36Å; N24-R28 PolarHBondContact O-N 3.4Å
25R77.1Confident72.1Confident178 Ų178125.6 Ų125.667%0.67262%0.616SS**Hα-helixtrans-74-34.8174.3-155.5179.4-171.1-168.11.8112.7M21 E22 Q23 R28 M29M21-R25 PolarHBondContact O-N 3.36Å; M21-R25 VanDerWaalsContact O-N 3.15Å; E22-R25 PolarHBondContact O-N 3.26Å; Q23-R25 PolarHBondContact O-N 3.15Å; R25-R28 PolarHBondContact O-N 3.34Å; R25-M29 PolarHBondContact O-N 3.49Å
26K65.2Low69.8Low111 Ų111123 Ų12348%0.48362%0.624SS.*Hα-helixtrans-69-44173.6-77.9179.8177.7177.40112.4E22 Q23 R28 M29 D30E22-K26 PolarHBondContact O-N 3.21Å; Q23-K26 PolarHBondContact O-N 3.07Å; K26-R28 PolarHBondContact O-N 3.44Å; K26-R28 VanDerWaalsContact O-N 3.14Å; K26-M29 PolarHBondContact O-N 3.24Å; K26-D30 PolarHBondContact O-N 3.41Å
27V60.9Low67.9Low98 Ų98122.5 Ų122.559%0.59463%0.629SS**Hα-helixtrans-59.3-28.6173.4176.50000111.6Q23Q23-V27 WeakPolarHBondContact O-CG2 3.23Å; Q23-V27 PolarHBondContact O-N 3.44Å
28R60.9Low65.9Low176 Ų176123.5 Ų123.566%0.66464%0.639SS**Hα-helixtrans-78.9-11.4175.1-75-83.8162.1109-3.9114.9N24 R25 K26 L32N24-R28 VanDerWaalsContact O-CG 3.23Å; N24-R28 WeakPolarHBondContact O-CG 3.36Å; N24-R28 PolarHBondContact O-N 3.4Å; R25-R28 PolarHBondContact O-N 3.34Å; K26-R28 PolarHBondContact O-N 3.44Å; K26-R28 VanDerWaalsContact O-N 3.14Å; R28-L32 WeakPolarHBondContact O-CD1 3.43Å
29M57.8Low63.9Low143 Ų143124.6 Ų124.670%0.70465%0.646SS**Hα-helixtrans-100.4-31.6177.9-90.8-71.3-175.600112.9R25 K26 D31R25-M29 PolarHBondContact O-N 3.49Å; K26-M29 PolarHBondContact O-N 3.24Å; M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 PolarHBondContact O-N 3.22Å
30D56.2Low62Low134 Ų134129.4 Ų129.472%0.71766%0.661SS**Hα-helixtrans-76-15.3178.2-65.9-53.7000113.3K26 L32K26-D30 PolarHBondContact O-N 3.41Å; D30-L32 VanDerWaalsContact C-N 3.32Å; D30-L32 PolarHBondContact O-N 2.97Å
31D54.3Low60.6Low127 Ų127129 Ų12968%0.67967%0.667SS**THydrogen-bonded Turntrans-90.112.6-179.6-142.628.2000113.6M29 V33M29-D31 VanDerWaalsContact C-N 3.28Å; M29-D31 PolarHBondContact O-N 3.22Å; D31-V33 VanDerWaalsContact C-N 3.31Å
32L52.4Low59.2Low133 Ų133131.4 Ų131.470%0.69668%0.681SS**THydrogen-bonded Turntrans-86.84.5173.4-84.294.3000114R28 D30R28-L32 WeakPolarHBondContact O-CD1 3.43Å; D30-L32 VanDerWaalsContact C-N 3.32Å; D30-L32 PolarHBondContact O-N 2.97Å
33V48.7Very low57.6Low138 Ų138135.8 Ų135.884%0.83670%0.702SS**SBendtrans-12592.8169.9173.40000108.8D31D31-V33 VanDerWaalsContact C-N 3.31Å
34G41.9Very low56.4Low51 Ų51140.5 Ų140.553%0.52673%0.728SS.*SBendtrans124.8117.6161.600000114.4
35S46.2Very low55.7Low115 Ų115141.7 Ų141.780%0.80474%0.74SS**  trans79.474.3157.1-55.20000116.4S37S35-S37 PolarHBondContact O-N 2.96Å
36S44Very low54.8Low119 Ų119139.2 Ų139.283%0.83275%0.747SS**  trans-40.5105.8140.455.20000111.3
37S55.1Low54.6Low91 Ų91140.3 Ų140.364%0.63676%0.763SS**  trans-170.599.9164.7-86.10000110.9S35S35-S37 PolarHBondContact O-N 2.96Å
38F49.6Very low54.8Low192 Ų192141.4 Ų141.484%0.84277%0.771SS**  trans68.871.7154.2-50.5-74.6000118.3
39Q52.2Low54.3Low184 Ų184139.4 Ų139.486%0.8678%0.778SS**  trans-75.6113.4138-71-159.9-900108.7
40R53Low54.1Low223 Ų223137.4 Ų137.484%0.84279%0.785SS**  trans-134.6102.7159.2-143.5176.3-170175.42.7108.2L42R40-L42 PolarHBondContact O-N 2.91Å
41P60Low54Low113 Ų113137.4 Ų137.473%0.73479%0.79SS**  trans-70.1122.1169.827.2-28.7000108Q43P41-Q43 PolarHBondContact O-N 2.87Å
42L59.9Low53.7Low165 Ų165134.6 Ų134.686%0.86479%0.791SS**  trans-67105.6170-68.7173.8000108.1R40 L44R40-L42 PolarHBondContact O-N 2.91Å; L42-L44 PolarHBondContact O-N 3.04Å
43Q56.1Low53.7Low182 Ų182134.3 Ų134.385%0.8580%0.797SS**  trans-61.4123.3166.4-80.8-179.2-84.900109.3P41 T45P41-Q43 PolarHBondContact O-N 2.87Å; Q43-T45 PolarHBondContact O-N 2.99Å
44L54.6Low53.2Low175 Ų175132.4 Ų132.492%0.91680%0.796SS**  trans-75.2109.9164.6-75.4153.4000108.3L42L42-L44 PolarHBondContact O-N 3.04Å
45T63.3Low53.3Low127 Ų127134.9 Ų134.978%0.77981%0.811SS**PPolyproline II helixtrans-81.1132.5169.147.70000110.3Q43Q43-T45 PolarHBondContact O-N 2.99Å
46P59.1Low52.9Low126 Ų126134.7 Ų134.782%0.81882%0.817SS**PPolyproline II helixtrans-81.8152.2177.431.1-30.1000113.1
47V60.7Low53.2Low135 Ų135133.3 Ų133.382%0.81881%0.813SS**PPolyproline II helixtrans-56.9142.4-176.6178.20000114
48P64.4Low52.6Low120 Ų120132.8 Ų132.878%0.77981%0.814SS**PPolyproline II helixtrans-91.1122.7157.531.8-27.5000111.6
49V50Low52.1Low134 Ų134135.7 Ų135.781%0.81282%0.819SS**PPolyproline II helixtrans-75.1129.5165.283.10000107.9
50A53.9Low52.1Low101 Ų101135.5 Ų135.584%0.83582%0.818SS**  trans-119123.5175.100000110.1
51T54.5Low51.6Low134 Ų134132 Ų13282%0.82282%0.822SS**  trans-93.6115.2-171-59.50000110.6
52G49.1Very low50.9Low69 Ų69129.5 Ų129.571%0.71182%0.816SS**  trans60.8-176.5150.500000120.3
53P50.9Low50.6Low126 Ų126128.8 Ų128.882%0.81882%0.819SS**  cis-136.5179.2-29.337.7-20.1000114
54A39.4Very low50.4Low99 Ų99125 Ų12582%0.81881%0.813SS**  trans7199.4151.600000120.1
55A43.7Very low50.5Low102 Ų102128 Ų12884%0.84381%0.812SS**  trans-141.3107.9137.900000108.2A57A55-A57 PolarHBondContact O-N 3.45Å
56A38Very low50.4Low111 Ų111127.9 Ų127.992%0.91781%0.811SS**  trans-68.9114.6171.600000108.9
57A49.6Very low51.2Low91 Ų91127.3 Ų127.375%0.75281%0.806SS**  trans-150.3119.2163.600000109.5A55A55-A57 PolarHBondContact O-N 3.45Å
58A43Very low52.1Low79 Ų79127.1 Ų127.165%0.65380%0.799SS**  trans57.396.3149.500000117.5E60A58-E60 PolarHBondContact O-N 3.14Å; A58-E60 VanDerWaalsContact O-N 3.15Å
59W39.6Very low52.7Low253 Ų253126 Ų12696%0.95879%0.792SS**  trans-70.197.61562.9-69000107.4
60E50.4Low54Low180 Ų180126.8 Ų126.884%0.84179%0.791SS**  trans-104.7109.7165.5-74.6-166160.300109.8A58 G62A58-E60 PolarHBondContact O-N 3.14Å; A58-E60 VanDerWaalsContact O-N 3.15Å; E60-G62 VanDerWaalsContact C-N 3.35Å; E60-G62 PolarHBondContact O-N 3.3Å
61T43.8Very low55.3Low150 Ų150130 Ų13092%0.9279%0.786SS**  trans-6290.8167.7-53.60000109.1
62G45.3Very low56.3Low60 Ų60129.3 Ų129.362%0.61978%0.784SS**  trans-127.2108.1175.600000110.4E60 S64E60-G62 VanDerWaalsContact C-N 3.35Å; E60-G62 PolarHBondContact O-N 3.3Å; G62-S64 PolarHBondContact O-N 3.5Å
63T53.3Low57.3Low151 Ų151131.4 Ų131.493%0.92678%0.783SS**  trans-61.579.7171.643.90000111
64S51.6Low58.1Low102 Ų102136.3 Ų136.371%0.71379%0.785SS**  trans-123.6103.7171.8-97.80000108.6G62 T66G62-S64 PolarHBondContact O-N 3.5Å; S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.95Å; S64-T66 PolarHBondContact O-OG1 3.41Å
65R57.5Low58.9Low238 Ų238137.4 Ų137.490%0.89878%0.782SS**  trans-64.389.6175.4-171.3173158169.7-5.1108.3T67R65-T67 PolarHBondContact O-N 3.5Å; R65-T67 PolarHBondContact O-OG1 2.99Å
66T60.5Low59.2Low124 Ų124137.6 Ų137.676%0.76178%0.784SS**  trans-5894.6178-45.40000109.6S64 L68S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 2.95Å; S64-T66 PolarHBondContact O-OG1 3.41Å; T66-L68 PolarHBondContact O-N 3.34Å
67T76.5Confident59.6Low115 Ų115135 Ų13571%0.70677%0.768SS**  trans-78.8110.4172.5-61.90000107.1R65 P69R65-T67 PolarHBondContact O-N 3.5Å; R65-T67 PolarHBondContact O-OG1 2.99Å; T67-P69 WeakPolarHBondContact O-CD 3.39Å
68L78.9Confident59.1Low130 Ų130137 Ų13768%0.68177%0.77SS**  trans-65.3124.6173-66.5171.1000108.4T66 L70T66-L68 PolarHBondContact O-N 3.34Å; L68-L70 PolarHBondContact O-N 3.36Å
69P76.6Confident59.1Low97 Ų97137.6 Ų137.663%0.6378%0.776SS**  trans-65.7106.6175.225.9-31.9000109.1T67 F71 V73T67-P69 WeakPolarHBondContact O-CD 3.39Å; P69-F71 PolarHBondContact O-N 2.86Å; P69-V73 HydrophobicContact CB-CG2 4.27Å
70L79Confident59.2Low150 Ų150133 Ų13379%0.78577%0.765SS**SBendtrans-76-3.3-179.4-68.4174000113.5L68L68-L70 PolarHBondContact O-N 3.36Å
71F79.3Confident59Low168 Ų168132.1 Ų132.174%0.73776%0.764SS**SBendtrans-141.4149.9176.7-62.5-76.2000109.4P69 V73P69-F71 PolarHBondContact O-N 2.86Å; F71-V73 PolarHBondContact O-N 3.08Å
72P76.3Confident58.8Low121 Ų121130.5 Ų130.579%0.78675%0.754SS**  trans-54.6110.3169.7-17.428.3000108.5R74P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 2.87Å
73V69.5Low58.7Low113 Ų113137.5 Ų137.569%0.68576%0.762SS**  trans-67.297.2167.9175.50000105.1P69 F71 T75P69-V73 HydrophobicContact CB-CG2 4.27Å; F71-V73 PolarHBondContact O-N 3.08Å; V73-T75 VanDerWaalsContact C-N 3.26Å; V73-T75 PolarHBondContact O-N 3.05Å
74R68.3Low58.6Low229 Ų229135.4 Ų135.486%0.86475%0.751SS**  trans-6997.1163.9-61.5-175.784.5-152.45104.8P72 A76P72-R74 VanDerWaalsContact C-N 3.28Å; P72-R74 PolarHBondContact O-N 2.87Å; R74-A76 PolarHBondContact O-N 3.01Å
75T56.7Low58.5Low121 Ų121138.7 Ų138.774%0.74276%0.755SS**  trans-49.2117.1161.937.90000106.4V73 G77V73-T75 VanDerWaalsContact C-N 3.26Å; V73-T75 PolarHBondContact O-N 3.05Å; T75-G77 PolarHBondContact O-N 3.23Å
76A48.8Very low58.4Low107 Ų107137 Ų13788%0.88476%0.758SS**  trans-67.564.9168.500000108.3R74 T78R74-A76 PolarHBondContact O-N 3.01Å; A76-T78 PolarHBondContact O-N 3.43Å
77G47.2Very low58.1Low56 Ų56133.9 Ų133.958%0.57775%0.75SS**  trans-67122.7153.700000105T75 A79T75-G77 PolarHBondContact O-N 3.23Å; G77-A79 PolarHBondContact O-N 3.47Å
78T38.6Very low57.5Low132 Ų132135.2 Ų135.281%0.8175%0.746SS**  trans-16.5103.2167.2-240000109.7A76 E80A76-T78 PolarHBondContact O-N 3.43Å; T78-E80 PolarHBondContact O-N 3.49Å
79A44.3Very low57.5Low93 Ų93132.1 Ų132.177%0.76974%0.739SS**  trans-66.981.4167.300000105.1G77 I81G77-A79 PolarHBondContact O-N 3.47Å; A79-I81 VanDerWaalsContact C-N 3.33Å; A79-I81 PolarHBondContact O-N 3.06Å
80E40.1Very low58.1Low156 Ų156131.3 Ų131.373%0.72973%0.732SS**  trans-48.5116.3149.7-60.2-152.2176.100103.7T78 T82T78-E80 PolarHBondContact O-N 3.49Å; E80-T82 PolarHBondContact O-N 2.86Å
81I47.3Very low58.6Low161 Ų161126.1 Ų126.183%0.82671%0.705SS**  trans-63.479.3167.1-61.5164.2000103.1A79 R83A79-I81 VanDerWaalsContact C-N 3.33Å; A79-I81 PolarHBondContact O-N 3.06Å; I81-R83 PolarHBondContact O-N 3.34Å
82T40.4Very low59.3Low116 Ų116120.9 Ų120.971%0.71269%0.687SS**  trans-63.694.1162.9-50.90000102.3E80 P84E80-T82 PolarHBondContact O-N 2.86Å; T82-P84 VanDerWaalsContact O-N 3.14Å
83R42.8Very low60Low207 Ų207118.2 Ų118.278%0.78167%0.666SS**  trans-26.8120.6163.4-177.9177.1-176.9165.1-1.5106.2I81 E85I81-R83 PolarHBondContact O-N 3.34Å; R83-E85 PolarHBondContact O-N 2.99Å
84P50.4Low61.2Low108 Ų108120.1 Ų120.170%0.70167%0.665SS**  trans-61.197.5173.725.7-30.4000105.1T82 E86T82-P84 VanDerWaalsContact O-N 3.14Å; P84-E86 PolarHBondContact O-N 3.49Å
85E50Low62.4Low170 Ų170117.1 Ų117.179%0.79466%0.655SS**  trans-32.6129.8155.8-85.7-79.5154.600106.2R83 G87R83-E85 PolarHBondContact O-N 2.99Å; E85-G87 PolarHBondContact O-N 3.42Å
86E54.2Low64Low203 Ų203118.7 Ų118.795%0.94965%0.654SS**SBendtrans-4740.3-165.8-98.817314600117.9P84P84-E86 PolarHBondContact O-N 3.49Å
87G54.1Low66.2Low58 Ų58117.8 Ų117.860%0.59865%0.654SS**  trans-122.981.1-161.400000110.9E85 A89E85-G87 PolarHBondContact O-N 3.42Å; G87-A89 PolarHBondContact O-N 3.01Å
88K64.7Low68.3Low143 Ų143121.9 Ų121.962%0.62266%0.659SS**  trans41.868.2139.8-66.3-179-173.3-176.50115.5H104K88-H104 HydrophobicContact CB-CB 3.87Å; K88-H104 WeakPolarHBondContact CB-ND1 3.34Å; K88-H104 HydrophobicContact CD-CB 3.88Å; K88-H104 WeakPolarHBondContact CD-ND1 3.38Å; K88-H104 HydrophobicContact CG-CB 3.86Å
89A80Confident70.9Confident65 Ų65119.7 Ų119.754%0.53765%0.645SS.*EExtended strand (participates in β ladder)trans-69.4158.1175.100000112.1G87 H104 F105G87-A89 PolarHBondContact O-N 3.01Å; A89-H104 PolarHBondContact O-N 3.08Å; A89-F105 PolarHBondContact O-N 3.38Å
90T89.3Confident73.2Confident80 Ų80117.7 Ų117.749%0.49163%0.625SS.*EExtended strand (participates in β ladder)trans-93.9127.2173.5-61.80000109.6T101 F102 H103T90-T101 HydrophobicContact CG2-CG2 3.42Å; T90-T101 VanDerWaalsContact CG2-CG2 3.42Å; T90-F102 WeakPolarHBondContact CA-O 3.28Å; T90-H103 PolarHBondContact OG1-ND1 3.36Å
91L89.5Confident75.8Confident42 Ų42113.5 Ų113.522%0.2261%0.61CS.*EExtended strand (participates in β ladder)trans-103.2128.8173.6171.666.6000109.4I93 T101 F102 F105 L113L91-I93 HydrophobicContact CD1-CG1 4.41Å; L91-I93 HydrophobicContact CD2-CD1 4.08Å; L91-I93 HydrophobicContact CD2-CG1 4.19Å; L91-I93 HydrophobicContact CG-CG1 4.08Å; L91-T101 CarbonylContact O-C 3.59Å; L91-T101 WeakPolarHBondContact O-CA 3.42Å; L91-F102 HydrophobicContact CB-CB 4.4Å; L91-F102 HydrophobicContact CD2-CD2 4.42Å; L91-F102 PolarHBondContact N-O 3.32Å; L91-F102 PolarHBondContact O-N 3.37Å; L91-F105 HydrophobicContact CB-CB 3.97Å; L91-F105 HydrophobicContact CB-CD1 3.93Å; L91-F105 HydrophobicContact CB-CG 3.92Å; L91-F105 HydrophobicContact CD2-CD1 3.87Å; L91-F105 HydrophobicContact CD2-CD2 4.08Å; L91-F105 HydrophobicContact CD2-CE1 3.63Å; L91-F105 HydrophobicContact CD2-CE2 3.93Å; L91-F105 HydrophobicContact CD2-CG 4.06Å; L91-F105 HydrophobicContact CD2-CZ 3.71Å; L91-F105 HydrophobicContact CG-CD1 4.44Å; L91-L113 HydrophobicContact CD2-CD2 3.65Å
92T93.4Very high77.8Confident58 Ų58110.7 Ų110.736%0.35659%0.592SS.*EExtended strand (participates in β ladder)trans-118125.7173.1-57.60000109.9F94 V99 S100 T101T92-F94 HydrophobicContact CG2-CD2 4.16Å; T92-F94 HydrophobicContact CG2-CE1 4.47Å; T92-F94 HydrophobicContact CG2-CE2 3.47Å; T92-F94 VanDerWaalsContact CG2-CE2 3.47Å; T92-F94 HydrophobicContact CG2-CZ 3.65Å; T92-V99 HydrophobicContact CG2-CG1 3.64Å; T92-S100 CarbonylContact C-O 3.58Å; T92-S100 WeakPolarHBondContact CA-O 3.37Å; T92-T101 PolarHBondContact OG1-OG1 3.06Å
93I91.7Very high80.2Confident65 Ų65111.2 Ų111.233%0.33359%0.586SS.*EExtended strand (participates in β ladder)trans-112.7128.6178.9-54.2-179000108.7L91 V99 S100 F102L91-I93 HydrophobicContact CD1-CG1 4.41Å; L91-I93 HydrophobicContact CD2-CD1 4.08Å; L91-I93 HydrophobicContact CD2-CG1 4.19Å; L91-I93 HydrophobicContact CG-CG1 4.08Å; I93-V99 WeakPolarHBondContact O-CA 3.14Å; I93-S100 PolarHBondContact N-O 3.39Å; I93-S100 PolarHBondContact O-N 3.4Å; I93-F102 HydrophobicContact CD1-CD2 4.4Å; I93-F102 HydrophobicContact CD1-CE2 3.86Å; I93-F102 HydrophobicContact CG1-CE2 4.25Å
94F93.9Very high82.4Confident152 Ų152107.3 Ų107.367%0.66758%0.577SS**EExtended strand (participates in β ladder)trans-107.5114.8172.8-62.3-94.2000108.5T92 Q98 V99T92-F94 HydrophobicContact CG2-CD2 4.16Å; T92-F94 HydrophobicContact CG2-CE1 4.47Å; T92-F94 HydrophobicContact CG2-CE2 3.47Å; T92-F94 VanDerWaalsContact CG2-CE2 3.47Å; T92-F94 HydrophobicContact CG2-CZ 3.65Å; F94-Q98 WeakPolarHBondContact CA-O 3.43Å; F94-V99 HydrophobicContact CD1-CB 4.22Å; F94-V99 HydrophobicContact CD1-CG1 3.94Å; F94-V99 HydrophobicContact CD1-CG2 3.5Å; F94-V99 VanDerWaalsContact CD1-CG2 3.5Å; F94-V99 HydrophobicContact CE1-CB 4.15Å; F94-V99 HydrophobicContact CE1-CG1 3.53Å; F94-V99 HydrophobicContact CE1-CG2 3.52Å; F94-V99 HydrophobicContact CZ-CG1 3.94Å
95Y93.3Very high84.2Confident166 Ų166104.2 Ų104.265%0.65155%0.552SS**EExtended strand (participates in β ladder)trans-149.3134.3-178.1-175.7-105.2000111.2G97 Q98Y95-G97 PolarHBondContact O-N 2.89Å; Y95-G97 VanDerWaalsContact O-N 3.14Å; Y95-Q98 PolarHBondContact N-O 3Å; Y95-Q98 WeakPolarHBondContact O-CA 3.31Å; Y95-Q98 WeakPolarHBondContact O-CB 3.38Å; Y95-Q98 PolarHBondContact O-N 2.77Å
96Q90.4Very high86.1Confident155 Ų15599 Ų9972%0.72453%0.533SS*.THydrogen-bonded Turntrans51.235.9179.6-67.5-77.526.600114.5Q98Q96-Q98 PolarHBondContact O-N 3.47Å
97G93.9Very high87.5Confident87 Ų8792.9 Ų92.990%0.89752%0.517SS*.THydrogen-bonded Turntrans72.94.6-176.900000114.7Y95Y95-G97 PolarHBondContact O-N 2.89Å; Y95-G97 VanDerWaalsContact O-N 3.14Å
98Q92Very high89.1Confident143 Ų14396.1 Ų96.167%0.66852%0.521SS*.EExtended strand (participates in β ladder)trans-100.3148.6173-60.9-174.2-15.500110.5F94 Y95 Q96F94-Q98 WeakPolarHBondContact CA-O 3.43Å; Y95-Q98 PolarHBondContact N-O 3Å; Y95-Q98 WeakPolarHBondContact O-CA 3.31Å; Y95-Q98 WeakPolarHBondContact O-CB 3.38Å; Y95-Q98 PolarHBondContact O-N 2.77Å; Q96-Q98 PolarHBondContact O-N 3.47Å
99V94.4Very high90.2Very high85 Ų8597.6 Ų97.652%0.51552%0.523SS..EExtended strand (participates in β ladder)trans-118.2118177.3-171.40000107.7T92 I93 F94T92-V99 HydrophobicContact CG2-CG1 3.64Å; I93-V99 WeakPolarHBondContact O-CA 3.14Å; F94-V99 HydrophobicContact CD1-CB 4.22Å; F94-V99 HydrophobicContact CD1-CG1 3.94Å; F94-V99 HydrophobicContact CD1-CG2 3.5Å; F94-V99 VanDerWaalsContact CD1-CG2 3.5Å; F94-V99 HydrophobicContact CE1-CB 4.15Å; F94-V99 HydrophobicContact CE1-CG1 3.53Å; F94-V99 HydrophobicContact CE1-CG2 3.52Å; F94-V99 HydrophobicContact CZ-CG1 3.94Å
100S91.3Very high90.6Very high52 Ų5295.9 Ų95.936%0.36451%0.509SS..EExtended strand (participates in β ladder)trans-113.6117.9176.7-64.30000109.2T92 I93T92-S100 CarbonylContact C-O 3.58Å; T92-S100 WeakPolarHBondContact CA-O 3.37Å; I93-S100 PolarHBondContact N-O 3.39Å; I93-S100 PolarHBondContact O-N 3.4Å
101T94.1Very high90.5Very high67 Ų6798.6 Ų98.641%0.41151%0.514SS..EExtended strand (participates in β ladder)trans-110.1123.5178.7-600000109.8T90 L91 T92T90-T101 HydrophobicContact CG2-CG2 3.42Å; T90-T101 VanDerWaalsContact CG2-CG2 3.42Å; L91-T101 CarbonylContact O-C 3.59Å; L91-T101 WeakPolarHBondContact O-CA 3.42Å; T92-T101 PolarHBondContact OG1-OG1 3.06Å
102F90.4Very high90.5Very high102 Ų10299.8 Ų99.845%0.44752%0.522SS..EExtended strand (participates in β ladder)trans-110.5113.4179.6-58.5-87.4000109.1T90 L91 I93T90-F102 WeakPolarHBondContact CA-O 3.28Å; L91-F102 HydrophobicContact CB-CB 4.4Å; L91-F102 HydrophobicContact CD2-CD2 4.42Å; L91-F102 PolarHBondContact N-O 3.32Å; L91-F102 PolarHBondContact O-N 3.37Å; I93-F102 HydrophobicContact CD1-CD2 4.4Å; I93-F102 HydrophobicContact CD1-CE2 3.86Å; I93-F102 HydrophobicContact CG1-CE2 4.25Å
103H91Very high90.3Very high127 Ų12799.9 Ų99.959%0.58852%0.52SS*.EExtended strand (participates in β ladder)trans-80.6147171.1-61.6-63.4000110T90T90-H103 PolarHBondContact OG1-ND1 3.36Å
104H88.9Confident90.1Very high126 Ų126103.7 Ų103.758%0.58354%0.538SS*.EExtended strand (participates in β ladder)trans63.645178-44.8-53.8000115.3K88 A89K88-H104 HydrophobicContact CB-CB 3.87Å; K88-H104 WeakPolarHBondContact CB-ND1 3.34Å; K88-H104 HydrophobicContact CD-CB 3.88Å; K88-H104 WeakPolarHBondContact CD-ND1 3.38Å; K88-H104 HydrophobicContact CG-CB 3.86Å; A89-H104 PolarHBondContact O-N 3.08Å
105F88.4Confident89.9Confident42 Ų42101.4 Ų101.418%0.18453%0.53CS..EExtended strand (participates in β ladder)trans-80.6124.3177.3-166.5-113.1000111.5A89 L91 R109 A110 L113A89-F105 PolarHBondContact O-N 3.38Å; L91-F105 HydrophobicContact CB-CB 3.97Å; L91-F105 HydrophobicContact CB-CD1 3.93Å; L91-F105 HydrophobicContact CB-CG 3.92Å; L91-F105 HydrophobicContact CD2-CD1 3.87Å; L91-F105 HydrophobicContact CD2-CD2 4.08Å; L91-F105 HydrophobicContact CD2-CE1 3.63Å; L91-F105 HydrophobicContact CD2-CE2 3.93Å; L91-F105 HydrophobicContact CD2-CG 4.06Å; L91-F105 HydrophobicContact CD2-CZ 3.71Å; L91-F105 HydrophobicContact CG-CD1 4.44Å; F105-R109 HydrophobicContact CE1-CB 4.48Å; F105-R109 HydrophobicContact CE2-CB 4.34Å; F105-R109 HydrophobicContact CZ-CB 3.95Å; F105-A110 HydrophobicContact CD1-CB 3.85Å; F105-A110 HydrophobicContact CE1-CB 3.49Å; F105-A110 VanDerWaalsContact CE1-CB 3.49Å; F105-L113 HydrophobicContact CE1-CD2 4.42Å; F105-L113 HydrophobicContact CZ-CD2 4.07Å
106P88.3Confident89.7Confident61 Ų6198.6 Ų98.640%0.39652%0.524SS..  trans-73138.2-177.327.2-31.8000111.7D108 R109 A110P106-D108 VanDerWaalsContact C-N 3.32Å; P106-D108 PolarHBondContact O-N 3.11Å; P106-R109 HydrophobicContact CG-CB 4.01Å; P106-R109 HydrophobicContact CG-CG 3.84Å; P106-R109 PolarHBondContact O-N 3.09Å; P106-A110 PolarHBondContact O-N 3.27Å
107A85.2Confident89.5Confident74 Ų7494 Ų9461%0.61251%0.513SS*.Hα-helixtrans-61.1-37.1-175.200000113.5R109 A110 K111A107-R109 PolarHBondContact O-N 2.94Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.12Å; A107-A110 VanDerWaalsContact O-N 3.13Å; A107-K111 PolarHBondContact O-N 3.27Å; A107-K111 VanDerWaalsContact O-N 3.14Å
108D86.9Confident89Confident126 Ų12693.5 Ų93.567%0.67450%0.496SS*.Hα-helixtrans-59.6-45177.9-175.847000111.8P106 A110 K111 V112P106-D108 VanDerWaalsContact C-N 3.32Å; P106-D108 PolarHBondContact O-N 3.11Å; D108-A110 VanDerWaalsContact C-N 3.32Å; D108-A110 PolarHBondContact O-N 3.48Å; D108-K111 PolarHBondContact O-N 3.4Å; D108-V112 PolarHBondContact O-N 3.39Å
109R88.6Confident88.4Confident175 Ų17591.2 Ų91.266%0.6650%0.495SS*.Hα-helixtrans-68.9-29.4175.6-64.3-167.9177.6-169.2-0.8112.9F105 P106 A107 V112 L113F105-R109 HydrophobicContact CE1-CB 4.48Å; F105-R109 HydrophobicContact CE2-CB 4.34Å; F105-R109 HydrophobicContact CZ-CB 3.95Å; P106-R109 HydrophobicContact CG-CB 4.01Å; P106-R109 HydrophobicContact CG-CG 3.84Å; P106-R109 PolarHBondContact O-N 3.09Å; A107-R109 PolarHBondContact O-N 2.94Å; R109-V112 PolarHBondContact O-N 3.46Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 3.37Å
110A87.2Confident87.4Confident29 Ų2992.5 Ų92.524%0.2450%0.503CS..Hα-helixtrans-63.7-42.2175.400000112.4F105 P106 A107 D108 V112 L113 M114F105-A110 HydrophobicContact CD1-CB 3.85Å; F105-A110 HydrophobicContact CE1-CB 3.49Å; F105-A110 VanDerWaalsContact CE1-CB 3.49Å; P106-A110 PolarHBondContact O-N 3.27Å; A107-A110 WeakPolarHBondContact O-CB 3.43Å; A107-A110 PolarHBondContact O-N 3.12Å; A107-A110 VanDerWaalsContact O-N 3.13Å; D108-A110 VanDerWaalsContact C-N 3.32Å; D108-A110 PolarHBondContact O-N 3.48Å; A110-V112 PolarHBondContact O-N 3.18Å; A110-L113 PolarHBondContact O-N 2.87Å; A110-M114 WeakPolarHBondContact O-CB 3.45Å; A110-M114 VanDerWaalsContact O-CG 3.3Å; A110-M114 WeakPolarHBondContact O-CG 3.44Å; A110-M114 PolarHBondContact O-N 3.5Å
111K88.1Confident85.9Confident137 Ų13795.9 Ų95.960%0.59652%0.522SS*.Hα-helixtrans-60.3-46.8175.2-172179.4178.7-1750111.3A107 D108 M114 Q115A107-K111 PolarHBondContact O-N 3.27Å; A107-K111 VanDerWaalsContact O-N 3.14Å; D108-K111 PolarHBondContact O-N 3.4Å; K111-M114 PolarHBondContact O-N 3.14Å; K111-Q115 WeakPolarHBondContact O-CG 3.29Å; K111-Q115 PolarHBondContact O-N 2.9Å
112V90.1Very high84.2Confident66 Ų6695.4 Ų95.440%0.453%0.53SS..Hα-helixtrans-62.6-44.1177.4179.20000111.3D108 R109 A110 M114 Q115 M116D108-V112 PolarHBondContact O-N 3.39Å; R109-V112 PolarHBondContact O-N 3.46Å; A110-V112 PolarHBondContact O-N 3.18Å; V112-M114 PolarHBondContact O-N 2.91Å; V112-Q115 PolarHBondContact O-N 3.3Å; V112-M116 HydrophobicContact CG1-CE 4.17Å; V112-M116 HydrophobicContact CG1-CG 4.48Å; V112-M116 HydrophobicContact CG1-SD 4.42Å; V112-M116 WeakPolarHBondContact O-CG 3.28Å; V112-M116 PolarHBondContact O-N 2.81Å
113L88.9Confident82.3Confident61 Ų6197.1 Ų97.132%0.31954%0.544SS..Hα-helixtrans-62.1-44.1177.9-175.467.9000112.2L91 F105 R109 A110 Q115 M116 A117L91-L113 HydrophobicContact CD2-CD2 3.65Å; F105-L113 HydrophobicContact CE1-CD2 4.42Å; F105-L113 HydrophobicContact CZ-CD2 4.07Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 3.37Å; A110-L113 PolarHBondContact O-N 2.87Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.3Å; L113-M116 HydrophobicContact CD1-CE 3.98Å; L113-M116 PolarHBondContact O-N 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.24Å
114M86.7Confident80.1Confident144 Ų14497 Ų9771%0.70955%0.552SS**Hα-helixtrans-62.7-39.9176.3-72.8178.311000111.6A110 K111 V112 A117 S118A110-M114 WeakPolarHBondContact O-CB 3.45Å; A110-M114 VanDerWaalsContact O-CG 3.3Å; A110-M114 WeakPolarHBondContact O-CG 3.44Å; A110-M114 PolarHBondContact O-N 3.5Å; K111-M114 PolarHBondContact O-N 3.14Å; V112-M114 PolarHBondContact O-N 2.91Å; M114-A117 PolarHBondContact O-N 2.88Å; M114-S118 WeakPolarHBondContact O-CB 3.43Å; M114-S118 PolarHBondContact O-N 3.26Å; M114-S118 PolarHBondContact O-OG 3.15Å
115Q90.1Very high78.3Confident105 Ų10595.4 Ų95.449%0.49155%0.553SS.*Hα-helixtrans-63.4-50.2174.8-73.2174.91.300111.5K111 V112 L113 A117 S118 S119K111-Q115 WeakPolarHBondContact O-CG 3.29Å; K111-Q115 PolarHBondContact O-N 2.9Å; V112-Q115 PolarHBondContact O-N 3.3Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.3Å; Q115-A117 VanDerWaalsContact C-N 3.31Å; Q115-A117 PolarHBondContact O-N 2.95Å; Q115-S118 PolarHBondContact O-N 3.12Å; Q115-S118 VanDerWaalsContact O-N 3.13Å; Q115-S118 PolarHBondContact O-OG 3.35Å; Q115-S119 PolarHBondContact O-N 3.25Å; Q115-S119 PolarHBondContact O-OG 2.86Å; Q115-S119 VanDerWaalsContact O-OG 3.09Å
116M89.3Confident76.4Confident106 Ų106101.9 Ų101.952%0.52258%0.584SS.*Hα-helixtrans-57.2-44.3176.6-69.9-172.8-61.100111.9V112 L113 S118 S119 V120V112-M116 HydrophobicContact CG1-CE 4.17Å; V112-M116 HydrophobicContact CG1-CG 4.48Å; V112-M116 HydrophobicContact CG1-SD 4.42Å; V112-M116 WeakPolarHBondContact O-CG 3.28Å; V112-M116 PolarHBondContact O-N 2.81Å; L113-M116 HydrophobicContact CD1-CE 3.98Å; L113-M116 PolarHBondContact O-N 3.31Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.37Å; M116-S119 PolarHBondContact O-N 2.99Å; M116-V120 WeakPolarHBondContact O-CG2 3.27Å; M116-V120 PolarHBondContact O-N 3.46Å; M116-V120 VanDerWaalsContact O-N 3.14Å
117A85.8Confident74.3Confident60 Ų60107.6 Ų107.650%0.49660%0.603SS.*Hα-helixtrans-63.1-39.7177.500000112.3L113 M114 Q115 S119 V120 T121L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.24Å; M114-A117 PolarHBondContact O-N 2.88Å; Q115-A117 VanDerWaalsContact C-N 3.31Å; Q115-A117 PolarHBondContact O-N 2.95Å; A117-S119 VanDerWaalsContact C-N 3.31Å; A117-S119 PolarHBondContact O-N 2.85Å; A117-V120 PolarHBondContact O-N 3.14Å; A117-T121 PolarHBondContact O-OG1 2.97Å
118S82.6Confident72.1Confident76 Ų76108 Ų10853%0.53162%0.615SS.*Hα-helixtrans-65.8-33176.572.70000112.8M114 Q115 M116 T121M114-S118 WeakPolarHBondContact O-CB 3.43Å; M114-S118 PolarHBondContact O-N 3.26Å; M114-S118 PolarHBondContact O-OG 3.15Å; Q115-S118 PolarHBondContact O-N 3.12Å; Q115-S118 VanDerWaalsContact O-N 3.13Å; Q115-S118 PolarHBondContact O-OG 3.35Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.37Å; S118-T121 PolarHBondContact O-OG1 3.32Å
119S80.8Confident70.2Confident95 Ų95107.8 Ų107.866%0.66462%0.617SS**Hα-helixtrans-73.3-27.7175.8-52.90000112.9Q115 M116 A117 T121Q115-S119 PolarHBondContact O-N 3.25Å; Q115-S119 PolarHBondContact O-OG 2.86Å; Q115-S119 VanDerWaalsContact O-OG 3.09Å; M116-S119 PolarHBondContact O-N 2.99Å; A117-S119 VanDerWaalsContact C-N 3.31Å; A117-S119 PolarHBondContact O-N 2.85Å; S119-T121 VanDerWaalsContact C-N 3.3Å; S119-T121 PolarHBondContact O-N 3.34Å
120V72.4Confident67.6Low112 Ų112104.1 Ų104.168%0.67963%0.625SS**Hα-helixtrans-72.4-23.9178.8169.50000112.2M116 A117 G122M116-V120 WeakPolarHBondContact O-CG2 3.27Å; M116-V120 PolarHBondContact O-N 3.46Å; M116-V120 VanDerWaalsContact O-N 3.14Å; A117-V120 PolarHBondContact O-N 3.14Å; V120-G122 PolarHBondContact O-N 2.85Å
121T60.1Low65.8Low122 Ų122108.5 Ų108.575%0.74865%0.648SS**THydrogen-bonded Turntrans-68.34.6179.110.20000115.5A117 S118 S119A117-T121 PolarHBondContact O-OG1 2.97Å; S118-T121 PolarHBondContact O-OG1 3.32Å; S119-T121 VanDerWaalsContact C-N 3.3Å; S119-T121 PolarHBondContact O-N 3.34Å
122G58.3Low63.3Low57 Ų57106.6 Ų106.659%0.58866%0.658SS**THydrogen-bonded Turntrans-88.5-28.1-17800000116.3V120V120-G122 PolarHBondContact O-N 2.85Å
123N50.8Low61.1Low138 Ų138109.7 Ų109.774%0.73868%0.677SS**  trans-146.7113.6-175-74.266.8000110P125N123-P125 WeakPolarHBondContact O-CD 3.48Å
124T45.4Very low58.6Low124 Ų124111.5 Ų111.576%0.76170%0.701SS**  trans-56.7127.9151.640.70000108.2
125P50.4Low57Low94 Ų94111 Ų11161%0.6171%0.705SS**  trans-122.3107.2134.434-27.8000107.9N123 K127N123-P125 WeakPolarHBondContact O-CD 3.48Å; P125-K127 PolarHBondContact O-N 3.33Å
126E48.2Very low54.6Low178 Ų178111.5 Ų111.583%0.83272%0.718SS**  trans-52.264.6142.653.4-136.3124.100111.6
127K43.9Very low52.1Low180 Ų180116.1 Ų116.178%0.78374%0.735SS**SBendtrans-165.4120.5166.3-140.1172.6-180-176.30109.9P125 V129P125-K127 PolarHBondContact O-N 3.33Å; K127-V129 PolarHBondContact O-N 2.92Å
128G40.1Very low49.9Very low84 Ų84122.6 Ų122.687%0.86675%0.752SS**  trans-48.8122.9-174.400000113.7
129V46Very low47.9Very low121 Ų121122.8 Ų122.873%0.73376%0.758SS**  trans-98.1100.3162.9174.70000106.7K127 V131K127-V129 PolarHBondContact O-N 2.92Å; V129-V131 PolarHBondContact O-N 3.43Å; V129-V131 VanDerWaalsContact O-N 3.14Å
130A34.6Very low46.1Very low98 Ų98126 Ų12681%0.8176%0.763SS**  trans-63.6104.5171.300000109.3A132A130-A132 PolarHBondContact O-N 3.46Å
131V48.7Very low44.5Very low121 Ų121126.2 Ų126.273%0.73376%0.764SS**  trans-86.2107.1164175.30000107.4V129 T133V129-V131 PolarHBondContact O-N 3.43Å; V129-V131 VanDerWaalsContact O-N 3.14Å; V131-T133 PolarHBondContact O-N 3.42Å; V131-T133 VanDerWaalsContact O-N 3.12Å
132A36.3Very low43.7Very low97 Ų97124.7 Ų124.780%0.80276%0.759SS**  trans-55.7109.4175.100000110.8A130A130-A132 PolarHBondContact O-N 3.46Å
133T44.6Very low42.8Very low130 Ų130128.9 Ų128.980%0.79877%0.767SS**  trans-105.7103.2158.317.80000107.4V131 V135V131-T133 PolarHBondContact O-N 3.42Å; V131-T133 VanDerWaalsContact O-N 3.12Å; T133-V135 PolarHBondContact O-N 3.19Å
134A35.8Very low42.2Very low99 Ų99129.8 Ų129.882%0.81877%0.772SS**  trans-64.3111.4171.600000109.8
135V52.4Low42.1Very low133 Ų133132.6 Ų132.681%0.80678%0.777SS**  trans-141.7120155.9-176.50000107.9T133T133-V135 PolarHBondContact O-N 3.19Å
136P40.2Very low42Very low116 Ų116133.8 Ų133.875%0.75378%0.784SS**  trans-88.4131.7-17833.4-30.2000112.4
137K37.6Very low41.7Very low203 Ų203130.4 Ų130.488%0.88378%0.781SS**  71.9137.6129.3-131.4173.7-170.6175.90121.2
138K39.2Very low42.3Very low197 Ų197127.8 Ų127.886%0.85778%0.782SS**  trans83131.7157.2-115.6176.8174-179.50115
139A39.6Very low42.6Very low80 Ų80128.2 Ų128.266%0.66178%0.777SS**  cis-157.1131.911.100000106.4
140Q44.4Very low42.5Very low162 Ų162125.7 Ų125.776%0.75778%0.776SS**  88.5119.288.4-164-180-46.800113.4
141T38Very low43Very low116 Ų116126.1 Ų126.171%0.71278%0.779SS**  trans65.7137150.455.30000117.9
142S43.8Very low43.6Very low90 Ų90124.2 Ų124.263%0.62978%0.784SS**  cis-176.1150.316.931.20000109.2
143D40Very low44.8Very low145 Ų145126.2 Ų126.278%0.77578%0.779SS**  trans75127147.5-54.9-28.4000123.4
144D37.7Very low45.7Very low157 Ų157122.7 Ų122.784%0.8476%0.758SS**  trans72.587.6152-64.9-42.9000121
145Q42.7Very low47.4Very low184 Ų184121.9 Ų121.986%0.8674%0.744SS**  trans-146.8125.7145.9-163163.7-45.800113.1S147Q145-S147 PolarHBondContact O-N 3.08Å
146P48.9Very low48Very low118 Ų118121.6 Ų121.677%0.76674%0.737SS**  trans-73.3128.5177.128.8-32.3000111.3
147S41.2Very low49Very low108 Ų108119.7 Ų119.776%0.75573%0.731SS**  trans-68.4126.3174-175.70000111.6Q145 A149Q145-S147 PolarHBondContact O-N 3.08Å; S147-A149 PolarHBondContact O-N 2.76Å
148P56.3Low51Low125 Ų125117.9 Ų117.981%0.81272%0.719SS**  trans-80.9106157.230.3-26000108.2
149A46.6Very low52.9Low92 Ų92112.9 Ų112.976%0.7670%0.697SS**  trans-46.3147169.400000113.2S147S147-A149 PolarHBondContact O-N 2.76Å
150G45Very low54.9Low68 Ų68114.2 Ų114.270%0.70169%0.692SS**  trans93.8114.2143.600000115.2
151A43.8Very low56.9Low107 Ų107110.9 Ų110.988%0.88468%0.683SS**THydrogen-bonded Turntrans-32.1133.8167.100000115M153A151-M153 PolarHBondContact O-N 2.81Å
152G61.5Low59.4Low81 Ų81109.7 Ų109.784%0.83567%0.672SS**THydrogen-bonded Turntrans85-4.9149.400000119P154G152-P154 WeakPolarHBondContact O-CD 3.45Å
153M61.3Low61.6Low140 Ų140110.3 Ų110.369%0.6967%0.665SS**  trans-98.1113.8180-84-76.6171.900112.1A151 K159A151-M153 PolarHBondContact O-N 2.81Å; M153-K159 WeakPolarHBondContact SD-CE 3.37Å; M153-K159 PolarHBondContact SD-NZ 2.9Å
154P63.8Low64Low56 Ų56107.6 Ų107.636%0.36465%0.65SS.*  trans-65.5152.1173.628.6-34.1000110.3G152 I156 R158 K159G152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-I156 PolarHBondContact O-N 2.77Å; P154-R158 HydrophobicContact CB-CB 4.15Å; P154-K159 HydrophobicContact CG-CG 4.48Å
155P70.7Confident66.5Low81 Ų81104.9 Ų104.953%0.52663%0.631SS.*  trans-51.4138.3178.220.8-32.8000110.3A157 R158P155-A157 PolarHBondContact O-N 3.27Å; P155-R158 HydrophobicContact CG-CG 4.28Å; P155-R158 WeakPolarHBondContact O-CB 3.46Å; P155-R158 PolarHBondContact O-N 3.48Å
156I65Low68.9Low128 Ų128100.4 Ų100.466%0.65661%0.613SS**Hα-helixtrans-50-32.4-172-63.3162.8000112.5P154 R158 K159 L160P154-I156 PolarHBondContact O-N 2.77Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 3.48Å; I156-K159 WeakPolarHBondContact O-CB 3.42Å; I156-K159 PolarHBondContact O-N 3.14Å; I156-L160 PolarHBondContact O-N 2.9Å
157A63Low70.8Confident76 Ų76101.1 Ų101.163%0.62860%0.6SS**Hα-helixtrans-57.4-37.7173.900000113.5P155 K159 T161P155-A157 PolarHBondContact O-N 3.27Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 2.79Å; A157-T161 WeakPolarHBondContact O-CG2 3.43Å; A157-T161 PolarHBondContact O-OG1 2.97Å
158R78.3Confident73.1Confident165 Ų165102.4 Ų102.462%0.62359%0.592SS**Hα-helixtrans-69.8-27.4174-78.4-175-178163.41.2112.7P154 P155 I156 T161 L162P154-R158 HydrophobicContact CB-CB 4.15Å; P155-R158 HydrophobicContact CG-CG 4.28Å; P155-R158 WeakPolarHBondContact O-CB 3.46Å; P155-R158 PolarHBondContact O-N 3.48Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 3.48Å; R158-T161 WeakPolarHBondContact CA-OG1 3.39Å; R158-T161 PolarHBondContact O-OG1 2.82Å; R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 2.97Å
159K79.4Confident74.7Confident92 Ų92102.8 Ų102.840%0.458%0.577SS.*Hα-helixtrans-68.3-47.6-178.1-67.2-175.1177.7-178.30111.9M153 P154 I156 A157 L162 Q163M153-K159 WeakPolarHBondContact SD-CE 3.37Å; M153-K159 PolarHBondContact SD-NZ 2.9Å; P154-K159 HydrophobicContact CG-CG 4.48Å; I156-K159 WeakPolarHBondContact O-CB 3.42Å; I156-K159 PolarHBondContact O-N 3.14Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 2.79Å; K159-L162 PolarHBondContact O-N 3.19Å; K159-Q163 WeakPolarHBondContact O-CB 3.45Å; K159-Q163 PolarHBondContact O-N 3.17Å
160L81.6Confident76.8Confident107 Ų107105.7 Ų105.756%0.5657%0.573SS**Hα-helixtrans-66.9-41.8179.7-71.9169.4000111.9I156 L162 Q163 N164I156-L160 PolarHBondContact O-N 2.9Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 2.59Å; L160-Q163 PolarHBondContact O-N 3.13Å; L160-N164 PolarHBondContact O-N 3.23Å
161T87.3Confident78.4Confident92 Ų92105.8 Ų105.856%0.56456%0.557SS**Hα-helixtrans-64.4-41.5177.258.90000111.3A157 R158 F165A157-T161 WeakPolarHBondContact O-CG2 3.43Å; A157-T161 PolarHBondContact O-OG1 2.97Å; R158-T161 WeakPolarHBondContact CA-OG1 3.39Å; R158-T161 PolarHBondContact O-OG1 2.82Å; T161-F165 VanDerWaalsContact O-CB 3.31Å; T161-F165 WeakPolarHBondContact O-CB 3.45Å; T161-F165 PolarHBondContact O-N 3.42Å
162L89Confident80.3Confident91 Ų91108.7 Ų108.748%0.47655%0.545SS..Hα-helixtrans-68.3-40.2177.7-175.464000111.5R158 K159 L160 N164 F165 L166R158-L162 WeakPolarHBondContact O-CB 3.5Å; R158-L162 PolarHBondContact O-N 2.97Å; K159-L162 PolarHBondContact O-N 3.19Å; L160-L162 VanDerWaalsContact C-N 3.35Å; L160-L162 PolarHBondContact O-N 2.59Å; L162-N164 PolarHBondContact O-N 3.49Å; L162-F165 HydrophobicContact CD1-CD1 4.2Å; L162-F165 WeakPolarHBondContact O-CB 3.38Å; L162-F165 PolarHBondContact O-N 3.39Å; L162-L166 HydrophobicContact CD1-CD1 4.4Å; L162-L166 HydrophobicContact CD1-CG 4.2Å; L162-L166 HydrophobicContact CG-CD1 4.01Å; L162-L166 HydrophobicContact CG-CG 4.24Å; L162-L166 WeakPolarHBondContact O-CB 3.3Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.5Å
163Q90.1Very high80.9Confident104 Ų104112 Ų11249%0.48654%0.543SS..Hα-helixtrans-59.3-48.3176-172.5-171.152.700111.5K159 L160 F165 L166 R167K159-Q163 WeakPolarHBondContact O-CB 3.45Å; K159-Q163 PolarHBondContact O-N 3.17Å; L160-Q163 PolarHBondContact O-N 3.13Å; Q163-F165 VanDerWaalsContact C-N 3.3Å; Q163-F165 PolarHBondContact O-N 2.87Å; Q163-L166 PolarHBondContact O-N 3.41Å; Q163-R167 WeakPolarHBondContact O-CB 3.07Å; Q163-R167 PolarHBondContact O-N 3.33Å
164N90.5Very high81.5Confident87 Ų87108.4 Ų108.447%0.46554%0.535SS..Hα-helixtrans-62.4-39.3176.4-75-11.6000111.8L160 L162 R167 K168L160-N164 PolarHBondContact O-N 3.23Å; L162-N164 PolarHBondContact O-N 3.49Å; N164-R167 PolarHBondContact O-N 2.9Å; N164-R167 PolarHBondContact OD1-NH1 3.32Å; N164-K168 WeakPolarHBondContact O-CB 3.34Å; N164-K168 PolarHBondContact O-N 3.48Å
165F90.9Very high81.4Confident100 Ų100108.9 Ų108.944%0.43955%0.549SS..Hα-helixtrans-64.7-43.5176.5-178.5-111.5000112.8T161 L162 Q163 K168 R169T161-F165 VanDerWaalsContact O-CB 3.31Å; T161-F165 WeakPolarHBondContact O-CB 3.45Å; T161-F165 PolarHBondContact O-N 3.42Å; L162-F165 HydrophobicContact CD1-CD1 4.2Å; L162-F165 WeakPolarHBondContact O-CB 3.38Å; L162-F165 PolarHBondContact O-N 3.39Å; Q163-F165 VanDerWaalsContact C-N 3.3Å; Q163-F165 PolarHBondContact O-N 2.87Å; F165-K168 PolarHBondContact O-N 3.39Å; F165-R169 VanDerWaalsContact CE1-NE 3.27Å; F165-R169 WeakPolarHBondContact O-CG 3.37Å; F165-R169 PolarHBondContact O-N 3.13Å
166L92Very high80.8Confident91 Ų91108.1 Ų108.148%0.47654%0.544SS..Hα-helixtrans-68-40.3176-68.5176.7000111.5L162 Q163 K168 R169 K170L162-L166 HydrophobicContact CD1-CD1 4.4Å; L162-L166 HydrophobicContact CD1-CG 4.2Å; L162-L166 HydrophobicContact CG-CD1 4.01Å; L162-L166 HydrophobicContact CG-CG 4.24Å; L162-L166 WeakPolarHBondContact O-CB 3.3Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.5Å; Q163-L166 PolarHBondContact O-N 3.41Å; L166-K168 PolarHBondContact O-N 2.92Å; L166-R169 PolarHBondContact O-N 3.47Å; L166-K170 PolarHBondContact O-N 3.35Å
167R88.7Confident80.4Confident132 Ų132107.8 Ų107.850%0.49854%0.543SS..Hα-helixtrans-57.2-48.9171.7-171.4-173.4-61.61355.5110.8Q163 N164 R169 K170 N171Q163-R167 WeakPolarHBondContact O-CB 3.07Å; Q163-R167 PolarHBondContact O-N 3.33Å; N164-R167 PolarHBondContact O-N 2.9Å; N164-R167 PolarHBondContact OD1-NH1 3.32Å; R167-R169 VanDerWaalsContact C-N 3.32Å; R167-R169 PolarHBondContact O-N 3.48Å; R167-K170 PolarHBondContact O-N 3.33Å; R167-N171 PolarHBondContact O-N 3.45Å; R167-N171 VanDerWaalsContact O-N 3.12Å; R167-N171 PolarHBondContact O-OD1 3.4Å
168K90.2Very high79.9Confident136 Ų136109.4 Ų109.459%0.59154%0.541SS*.Hα-helixtrans-62.4-36.9178.4-166168.2-167.8171.40112.6N164 F165 L166 R172N164-K168 WeakPolarHBondContact O-CB 3.34Å; N164-K168 PolarHBondContact O-N 3.48Å; F165-K168 PolarHBondContact O-N 3.39Å; L166-K168 PolarHBondContact O-N 2.92Å; K168-R172 PolarHBondContact O-N 2.95Å
169R89.5Confident78.7Confident133 Ų133105 Ų10550%0.50254%0.541SS..Hα-helixtrans-69.3-40.1174-78.5-179.3166.7178.8-4.9112.5F165 L166 R167 N171 R172 I173F165-R169 VanDerWaalsContact CE1-NE 3.27Å; F165-R169 WeakPolarHBondContact O-CG 3.37Å; F165-R169 PolarHBondContact O-N 3.13Å; L166-R169 PolarHBondContact O-N 3.47Å; R167-R169 VanDerWaalsContact C-N 3.32Å; R167-R169 PolarHBondContact O-N 3.48Å; R169-N171 VanDerWaalsContact C-N 3.34Å; R169-N171 PolarHBondContact O-N 3.26Å; R169-R172 PolarHBondContact O-N 2.98Å; R169-I173 WeakPolarHBondContact O-CG1 3.39Å; R169-I173 PolarHBondContact O-N 3.04Å; R169-I173 VanDerWaalsContact O-N 3.14Å
170K90.7Very high77.5Confident153 Ų153108.4 Ų108.467%0.66556%0.563SS**Hα-helixtrans-61.5-42.8178.3-172.6154.677.3164.10111.5L166 R167 R172 I173 A174L166-K170 PolarHBondContact O-N 3.35Å; R167-K170 PolarHBondContact O-N 3.33Å; K170-R172 VanDerWaalsContact C-N 3.3Å; K170-R172 PolarHBondContact O-N 2.73Å; K170-I173 PolarHBondContact O-N 2.95Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.76Å
171N79.8Confident76Confident69 Ų69111.8 Ų111.837%0.36957%0.568SS.*Hα-helixtrans-61.9-36.9177.8-64.83.6000112.6R167 R169 G175 T176R167-N171 PolarHBondContact O-N 3.45Å; R167-N171 VanDerWaalsContact O-N 3.12Å; R167-N171 PolarHBondContact O-OD1 3.4Å; R169-N171 VanDerWaalsContact C-N 3.34Å; R169-N171 PolarHBondContact O-N 3.26Å; N171-G175 PolarHBondContact O-N 3.25Å; N171-T176 WeakPolarHBondContact CA-OG1 3.32Å; N171-T176 PolarHBondContact O-N 3.14Å; N171-T176 VanDerWaalsContact O-N 3.08Å; N171-T176 PolarHBondContact O-OG1 3.48Å
172R82Confident74.2Confident168 Ų168113.1 Ų113.163%0.63457%0.572SS**Hα-helixtrans-67.5-40.4175.8-70.8177.5175.6-168.1-4.6113.3K168 R169 K170K168-R172 PolarHBondContact O-N 2.95Å; R169-R172 PolarHBondContact O-N 2.98Å; K170-R172 VanDerWaalsContact C-N 3.3Å; K170-R172 PolarHBondContact O-N 2.73Å
173I75.5Confident72.7Confident152 Ų152115.8 Ų115.878%0.77958%0.582SS**Hα-helixtrans-73.5-36-179.9-62.8167.8000110.5R169 K170 G175R169-I173 WeakPolarHBondContact O-CG1 3.39Å; R169-I173 PolarHBondContact O-N 3.04Å; R169-I173 VanDerWaalsContact O-N 3.14Å; K170-I173 PolarHBondContact O-N 2.95Å; I173-G175 PolarHBondContact O-N 3.35Å
174A72.4Confident70.8Confident64 Ų64118 Ų11853%0.52960%0.597SS.*THydrogen-bonded Turntrans-77.40.3178.900000113.8K170 T176K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.76Å; A174-T176 HydrophobicContact CB-CG2 4.45Å; A174-T176 PolarHBondContact O-N 2.65Å; A174-T176 VanDerWaalsContact O-N 3.09Å
175G62Low68.7Low65 Ų65117.6 Ų117.667%0.6761%0.606SS**THydrogen-bonded Turntrans63.511.9-176.500000113.9N171 I173 D177N171-G175 PolarHBondContact O-N 3.25Å; I173-G175 PolarHBondContact O-N 3.35Å; G175-D177 PolarHBondContact O-N 3.45Å; G175-D177 VanDerWaalsContact O-N 3.11Å
176T58.4Low66.8Low66 Ų66117.3 Ų117.341%0.40562%0.616SS.*  trans-88.157.7176.450.30000109.7N171 A174 D178N171-T176 WeakPolarHBondContact CA-OG1 3.32Å; N171-T176 PolarHBondContact O-N 3.14Å; N171-T176 VanDerWaalsContact O-N 3.08Å; N171-T176 PolarHBondContact O-OG1 3.48Å; A174-T176 HydrophobicContact CB-CG2 4.45Å; A174-T176 PolarHBondContact O-N 2.65Å; A174-T176 VanDerWaalsContact O-N 3.09Å; T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 VanDerWaalsContact O-N 3.08Å
177D56.9Low64.5Low121 Ų121119.5 Ų119.565%0.64764%0.636SS**  trans-77.772.3158.3-97.4-43.1000107.3G175 A179G175-D177 PolarHBondContact O-N 3.45Å; G175-D177 VanDerWaalsContact O-N 3.11Å; D177-A179 PolarHBondContact O-N 3.34Å
178D52.9Low62.6Low109 Ų109123.3 Ų123.358%0.58365%0.65SS**  trans-71.362.1155.2-70.5-59.2000107.7T176 D180T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 VanDerWaalsContact O-N 3.08Å; D178-D180 PolarHBondContact O-N 3.32Å
179A53.8Low60.2Low74 Ų74125.8 Ų125.861%0.61266%0.661SS**THydrogen-bonded Turntrans-66.780.7159.700000106.2D177D177-A179 PolarHBondContact O-N 3.34Å
180D53.7Low58.1Low162 Ų162129.4 Ų129.487%0.86668%0.681SS**THydrogen-bonded Turntrans164.76.8154.1-80.5-20.3000115D178 N182D178-D180 PolarHBondContact O-N 3.32Å; D180-N182 VanDerWaalsContact C-N 3.34Å; D180-N182 PolarHBondContact O-N 2.91Å
181R50.7Low56Low178 Ų178132.6 Ų132.667%0.67269%0.688SS**  trans-84.276.4169.3-88.2-171.6171.8117.6-2.4112.6E183R181-E183 HydrophobicContact CB-CG 4.39Å; R181-E183 IonicContact NE-OE1 3.82Å; R181-E183 PolarHBondContact O-N 3.01Å
182N49.2Very low54.4Low120 Ų120136 Ų13664%0.64271%0.707SS**  trans-77.184.2162-178.918.2000109.5D180 D184D180-N182 VanDerWaalsContact C-N 3.34Å; D180-N182 PolarHBondContact O-N 2.91Å; N182-D184 PolarHBondContact O-N 3.47Å; N182-D184 PolarHBondContact OD1-N 3.27Å
183E57Low52.8Low147 Ų147133.8 Ų133.869%0.68772%0.716SS**THydrogen-bonded Turntrans-81.413176.4-60.7-68.4158.300113.1R181R181-E183 HydrophobicContact CB-CG 4.39Å; R181-E183 IonicContact NE-OE1 3.82Å; R181-E183 PolarHBondContact O-N 3.01Å
184D50.8Low51.3Low152 Ų152131.2 Ų131.281%0.81372%0.718SS**THydrogen-bonded Turntrans-94.210.6174.5-85.6-32.1000113.5N182 S186N182-D184 PolarHBondContact O-N 3.47Å; N182-D184 PolarHBondContact OD1-N 3.27Å; D184-S186 PolarHBondContact O-N 2.66Å; D184-S186 VanDerWaalsContact O-N 3.13Å
185A46.5Very low50Low78 Ų78133.5 Ų133.565%0.64574%0.737SS**SBendtrans-80.388.9166.100000110.3
186S50.2Low48.9Very low93 Ų93133.9 Ų133.965%0.6574%0.741SS**  trans-28.9123.4171.7-79.50000114.6D184 W188D184-S186 PolarHBondContact O-N 2.66Å; D184-S186 VanDerWaalsContact O-N 3.13Å; S186-W188 PolarHBondContact O-N 3.09Å
187P44.3Very low48.1Very low137 Ų137136.1 Ų136.189%0.8977%0.766SS**  trans-90.586.6178.135-29.7000109.5
188W48Very low47Very low212 Ų212134.2 Ų134.280%0.80378%0.775SS**  trans-103.9118.7164.456.1-59.7000107.9S186S186-W188 PolarHBondContact O-N 3.09Å
189K40.3Very low46.5Very low188 Ų188132.9 Ų132.982%0.81779%0.787SS**  trans76.899.9179.2-55.8-166.3177.5-172.70116.9
190K46Very low46Very low210 Ų210136 Ų13691%0.91380%0.799SS**  -171.6136.191.5-122.6179.8-179.8-167.60109.6
191R46Very low45.7Very low220 Ų220134.3 Ų134.383%0.8380%0.797SS**  trans-87.2152.9176.4-127.4178.3-177.6134.4-1.8108
192D45.6Very low45.1Very low141 Ų141130.9 Ų130.975%0.75481%0.807SS**  trans93.6138.9154.7-41.9-35000117.6
193S49Very low45.3Very low120 Ų120128.6 Ų128.684%0.83981%0.811SS**  trans90.783.6179.6-51.50000114.5
194A43.5Very low45.3Very low99 Ų99129.4 Ų129.482%0.81882%0.821SS**  66.9132.468.100000114.4
195A46.2Very low45.7Very low111 Ų111128.1 Ų128.192%0.91782%0.818SS**  trans84.6128.6-17700000114.5
196G39Very low46.5Very low74 Ų74129.5 Ų129.576%0.76382%0.82SS**  cis176.8159.3900000108.6
197A40.3Very low47.1Very low113 Ų113131.3 Ų131.393%0.93482%0.822SS**  trans-40157.6175.500000114.7
198G34.8Very low47.9Very low81 Ų81131.2 Ų131.284%0.83582%0.815SS**  cis155.5157.517.700000106.6
199G41.7Very low48.5Very low81 Ų81123.7 Ų123.784%0.83580%0.798SS**  trans138.192.5169.200000115.5
200T44.4Very low49.6Very low140 Ų140119.5 Ų119.586%0.85979%0.792SS**  trans-96.2148.8144.134.70000106.6
201P45.5Very low50.5Low125 Ų125118.8 Ų118.881%0.81278%0.784SS**  -152.7-171.26438.2-15.2000114.9
202A39.6Very low51.1Low107 Ų107114.2 Ų114.288%0.88478%0.775SS**  trans86.597166.500000116.5
203G53.4Low52Low72 Ų72111.5 Ų111.574%0.74277%0.772SS**  trans-138.4113.116100000108.3
204D55.5Low52.4Low164 Ų164113.6 Ų113.688%0.87777%0.773SS**  trans-37.3137168.8-95.7-52.8000112.4P206D204-P206 VanDerWaalsContact O-CD 3.27Å; D204-P206 WeakPolarHBondContact O-CD 3.44Å
205V59Low53.3Low124 Ų124120.4 Ų120.475%0.75278%0.778SS**  trans-82.5109.8168.2175.60000107.1D207V205-D207 PolarHBondContact O-N 3.02Å
206P64.2Low53.3Low108 Ų108127.1 Ų127.170%0.70180%0.797SS**  trans-85.8115.3173.831.7-23.2000108.6D204 D208D204-P206 VanDerWaalsContact O-CD 3.27Å; D204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-D208 PolarHBondContact O-N 3.46Å
207D63Low54Low130 Ų130129.8 Ų129.870%0.69580%0.798SS**  trans-41100.8174.8-161.5-6.1000112.7V205 A209V205-D207 PolarHBondContact O-N 3.02Å; D207-A209 PolarHBondContact O-N 2.71Å; D207-A209 VanDerWaalsContact O-N 3.08Å
208D60.4Low54.7Low136 Ų136130.6 Ų130.673%0.72779%0.791SS**THydrogen-bonded Turntrans-78.418.2-170.130.7-58.1000114.5P206P206-D208 PolarHBondContact O-N 3.46Å
209A62.1Low55.8Low54 Ų54133.4 Ų133.445%0.44679%0.789SS.*THydrogen-bonded Turntrans-115.64.3-178.900000115.7D207 W211 L212D207-A209 PolarHBondContact O-N 2.71Å; D207-A209 VanDerWaalsContact O-N 3.08Å; A209-W211 VanDerWaalsContact C-N 3.26Å; A209-W211 PolarHBondContact O-N 2.66Å; A209-L212 PolarHBondContact O-N 2.76Å
210S62.5Low56.7Low99 Ų99136.5 Ų136.569%0.69279%0.786SS**G310 helixtrans-69.4-12.1-175.954.30000115.8L212S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 2.99Å
211W64.5Low57.4Low196 Ų196136.3 Ų136.374%0.74278%0.781SS**G310 helixtrans-80.2-9.8179.469.6-85.9000114.1A209A209-W211 VanDerWaalsContact C-N 3.26Å; A209-W211 PolarHBondContact O-N 2.66Å
212L59.7Low58.2Low123 Ų123137 Ų13764%0.64478%0.779SS**G310 helixtrans-87.2-1.5-178.8-69.6171.5000113.9A209 S210A209-L212 PolarHBondContact O-N 2.76Å; S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 2.99Å
213A63Low59.6Low85 Ų85139.1 Ų139.170%0.70277%0.772SS**  trans-98.710.5-16900000116.2
214L58.5Low60Low163 Ų163144.3 Ų144.385%0.85377%0.774SS**  trans-125.880.6-177.9-93.4147.6000111.6
215R61.7Low60.4Low243 Ų243142.7 Ų142.792%0.91777%0.766SS**  trans-172.388.2147.8-104.3171.9-169.7170.84.1109.4
216L46.6Very low60.5Low251 Ų251144.4 Ų144.4100%1.31477%0.767SS**  trans-61.60145.4-118.578.8000109.2

Retrieved 216 of 216 residues in 94.5 ms (Link to these results)