A0A060WRN6_ONCMY Loading...

DNA damage-inducible transcript 3 protein

AlphaFold DB , UniProt , Accession A0A060WRN6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110527691, Length 300 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
1M40.4Very low55.3Low244 Ų244148.4 Ų148.4100%1.20278%0.781SS**  0103.10-73.3170.3163.400106.1
2T43.7Very low55.8Low94 Ų94146.8 Ų146.858%0.57776%0.759SS**  trans-89122.4-170.747.70000110.3E4T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 WeakPolarHBondContact CB-OE1 2.97Å; T2-E4 PolarHBondContact O-N 3.24Å; T2-E4 PolarHBondContact OG1-OE1 2.68Å
3T50.3Low56.7Low143 Ų143141.8 Ų141.888%0.87774%0.742SS**  trans-89.655.5177.948.50000110.4
4E51Low56.2Low134 Ų134141.6 Ų141.663%0.62675%0.753SS**  trans-105.42.4-176.564.3-158.4139.900113.7T2T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 WeakPolarHBondContact CB-OE1 2.97Å; T2-E4 PolarHBondContact O-N 3.24Å; T2-E4 PolarHBondContact OG1-OE1 2.68Å
5W57.2Low56.3Low210 Ų210137.9 Ų137.980%0.79576%0.762SS**THydrogen-bonded Turntrans-94.15.6-172.6-67.3100.5000116.2
6L54.3Low56.5Low160 Ų160134.1 Ų134.184%0.83874%0.743SS**THydrogen-bonded Turntrans-1054.2-175-70.9177.5000115.7
7H54Low57.1Low178 Ų178129 Ų12982%0.82473%0.729SS**  trans-116.656.9179.4-70.1-94.4000111.6
8L62.2Low57.6Low150 Ų150127.4 Ų127.479%0.78573%0.725SS**PPolyproline II helixtrans-71.6127.9157.7-81.2144.7000107.5
9P65.9Low57.9Low104 Ų104125.2 Ų125.268%0.67571%0.71SS**PPolyproline II helixtrans-57143.3170.524.8-31.9000108.8
10P61.8Low58.6Low104 Ų104122.7 Ų122.768%0.67570%0.7SS**PPolyproline II helixtrans-52.8135.4176.520.4-30.1000108.9Y12P10-Y12 PolarHBondContact O-N 3.28Å
11P67.7Low59.4Low111 Ų111119.6 Ų119.672%0.72170%0.695SS**SBendtrans-66.24.8-173.422.9-31.2000114.2
12Y61.4Low61.3Low129 Ų129111.7 Ų111.751%0.50667%0.668SS.*SBendtrans-131.4139.4-175.8-54.8-72.4000111.7P10 V16 P18P10-Y12 PolarHBondContact O-N 3.28Å; Y12-V16 WeakPolarHBondContact CB-O 3.21Å; Y12-P18 HydrophobicContact CE2-CG 4.41Å
13P67.7Low63.2Low83 Ų83111.7 Ų111.754%0.53966%0.662SS.*  trans-64.1154178.726.2-33000111.8G15 V16P13-G15 PolarHBondContact O-N 3.2Å; P13-V16 HydrophobicContact CG-CB 4.16Å; P13-V16 HydrophobicContact CG-CG2 4.04Å; P13-V16 PolarHBondContact O-N 2.83Å; P13-V16 VanDerWaalsContact O-N 3.1Å
14P48.8Very low65Low138 Ų138108.2 Ų108.290%0.89664%0.637SS**THydrogen-bonded Turntrans-55.1123-179.4-23.833.2000112
15G57.8Low66.6Low87 Ų87107 Ų10790%0.89763%0.631SS**THydrogen-bonded Turntrans98-11.2178.700000115.1P13P13-G15 PolarHBondContact O-N 3.2Å
16V60.7Low68.2Low76 Ų7699.7 Ų99.746%0.46162%0.616SS.*  trans-105.682.8172.1-169.90000107Y12 P13Y12-V16 WeakPolarHBondContact CB-O 3.21Å; P13-V16 HydrophobicContact CG-CB 4.16Å; P13-V16 HydrophobicContact CG-CG2 4.04Å; P13-V16 PolarHBondContact O-N 2.83Å; P13-V16 VanDerWaalsContact O-N 3.1Å
17G65.2Low70Confident48 Ų4899.1 Ų99.150%0.49560%0.603SS.*PPolyproline II helixtrans-61.2165.9168.400000110.3L19G17-L19 PolarHBondContact O-N 3.1Å
18P66.9Low71.8Confident101 Ų10196.4 Ų96.466%0.65659%0.586SS**SBendtrans-48.1119.2168.6-22.632.4000107.8Y12 C20Y12-P18 HydrophobicContact CE2-CG 4.41Å; P18-C20 PolarHBondContact O-N 3.16Å; P18-C20 VanDerWaalsContact O-N 3.12Å
19L64Low73.3Confident85 Ų8594.2 Ų94.245%0.44557%0.572SS.*PPolyproline II helixtrans-47.5127.7177.8-74.1168.3000106.9G17 G21 E23 L24G17-L19 PolarHBondContact O-N 3.1Å; L19-G21 PolarHBondContact O-N 3.4Å; L19-E23 HydrophobicContact CD2-CG 4.47Å; L19-L24 HydrophobicContact CB-CB 4.4Å
20C71.8Confident74.6Confident75 Ų7593.2 Ų93.251%0.50756%0.561SS.*PPolyproline II helixtrans-56.1137-17868.80000107.7P18 A22 E23 L24P18-C20 PolarHBondContact O-N 3.16Å; P18-C20 VanDerWaalsContact O-N 3.12Å; C20-A22 PolarHBondContact O-N 2.82Å; C20-E23 PolarHBondContact O-N 3.28Å; C20-E23 WeakPolarHBondContact SG-CB 3.26Å; C20-L24 PolarHBondContact O-N 3.12Å; C20-L24 VanDerWaalsContact O-N 3.12Å
21G74.6Confident76.1Confident58 Ų5892 Ų9260%0.59855%0.548SS*.Hα-helixtrans-52.5-28.9-171.400000113.2L19 E25L19-G21 PolarHBondContact O-N 3.4Å; G21-E25 VanDerWaalsContact O-CB 3.22Å; G21-E25 WeakPolarHBondContact O-CB 3.49Å; G21-E25 PolarHBondContact O-N 2.89Å
22A79.8Confident77.2Confident77 Ų7792.1 Ų92.164%0.63654%0.54SS*.Hα-helixtrans-69.1-36.1174.700000114.6C20 A26C20-A22 PolarHBondContact O-N 2.82Å; A22-A26 WeakPolarHBondContact O-CB 3.31Å; A22-A26 PolarHBondContact O-N 3.33Å
23E84.9Confident78.5Confident95 Ų9591 Ų9144%0.44454%0.542SS..Hα-helixtrans-74.5-39.5176.1-176.6174.5-170.100110.6L19 C20 A26 W27L19-E23 HydrophobicContact CD2-CG 4.47Å; C20-E23 PolarHBondContact O-N 3.28Å; C20-E23 WeakPolarHBondContact SG-CB 3.26Å; E23-A26 PolarHBondContact O-N 2.88Å; E23-W27 VanDerWaalsContact O-CD1 3.3Å; E23-W27 PolarHBondContact O-N 3.4Å
24L86.8Confident79.6Confident69 Ų6992.1 Ų92.136%0.36154%0.542SS..Hα-helixtrans-63.4-42.9173.4-176.264.9000111.5L19 C20 W27 Y28L19-L24 HydrophobicContact CB-CB 4.4Å; C20-L24 PolarHBondContact O-N 3.12Å; C20-L24 VanDerWaalsContact O-N 3.12Å; L24-W27 WeakPolarHBondContact O-CB 3.39Å; L24-W27 PolarHBondContact O-N 2.97Å; L24-Y28 HydrophobicContact CD1-CD2 4.26Å; L24-Y28 HydrophobicContact CD1-CE2 3.66Å; L24-Y28 HydrophobicContact CD2-CE2 3.92Å; L24-Y28 HydrophobicContact CG-CD2 3.91Å; L24-Y28 HydrophobicContact CG-CE2 3.46Å; L24-Y28 VanDerWaalsContact CG-CE2 3.46Å; L24-Y28 WeakPolarHBondContact O-CD2 3.32Å; L24-Y28 PolarHBondContact O-N 3.18Å
25E85.1Confident81.4Confident108 Ų10891.8 Ų91.851%0.50553%0.533SS..Hα-helixtrans-62.8-42.2174.9-166.867.5-163.700111.5G21 W27 Y28 E29G21-E25 VanDerWaalsContact O-CB 3.22Å; G21-E25 WeakPolarHBondContact O-CB 3.49Å; G21-E25 PolarHBondContact O-N 2.89Å; E25-W27 VanDerWaalsContact C-N 3.28Å; E25-W27 PolarHBondContact O-N 3.3Å; E25-Y28 PolarHBondContact O-N 3.14Å; E25-Y28 VanDerWaalsContact O-N 3.12Å; E25-E29 WeakPolarHBondContact O-CG 3.31Å; E25-E29 PolarHBondContact O-N 3.39Å
26A91.4Very high82.2Confident58 Ų5889.2 Ų89.248%0.47951%0.506SS..Hα-helixtrans-62-36.9175.800000112.3A22 E23 D30A22-A26 WeakPolarHBondContact O-CB 3.31Å; A22-A26 PolarHBondContact O-N 3.33Å; E23-A26 PolarHBondContact O-N 2.88Å; A26-D30 WeakPolarHBondContact O-CB 3.14Å; A26-D30 PolarHBondContact O-N 3.16Å
27W92.8Very high82.6Confident148 Ų14889.6 Ų89.656%0.56151%0.512SS*.Hα-helixtrans-66-40.9172-92101.4000112.4E23 L24 E25 D30 L31E23-W27 VanDerWaalsContact O-CD1 3.3Å; E23-W27 PolarHBondContact O-N 3.4Å; L24-W27 WeakPolarHBondContact O-CB 3.39Å; L24-W27 PolarHBondContact O-N 2.97Å; E25-W27 VanDerWaalsContact C-N 3.28Å; E25-W27 PolarHBondContact O-N 3.3Å; W27-D30 PolarHBondContact O-N 3.07Å; W27-L31 WeakPolarHBondContact O-CB 3.35Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.5Å; W27-L31 PolarHBondContact O-N 3.48Å
28Y91.8Very high82.4Confident121 Ų12194.8 Ų94.848%0.47553%0.529SS..Hα-helixtrans-65.8-39.8176.1-77.5-60.2000112.3L24 E25 Q32L24-Y28 HydrophobicContact CD1-CD2 4.26Å; L24-Y28 HydrophobicContact CD1-CE2 3.66Å; L24-Y28 HydrophobicContact CD2-CE2 3.92Å; L24-Y28 HydrophobicContact CG-CD2 3.91Å; L24-Y28 HydrophobicContact CG-CE2 3.46Å; L24-Y28 VanDerWaalsContact CG-CE2 3.46Å; L24-Y28 WeakPolarHBondContact O-CD2 3.32Å; L24-Y28 PolarHBondContact O-N 3.18Å; E25-Y28 PolarHBondContact O-N 3.14Å; E25-Y28 VanDerWaalsContact O-N 3.12Å; Y28-Q32 WeakPolarHBondContact O-CB 3.49Å; Y28-Q32 VanDerWaalsContact O-CG 3.23Å; Y28-Q32 WeakPolarHBondContact O-CG 3.43Å; Y28-Q32 PolarHBondContact O-N 3.22Å
29E93.4Very high82Confident104 Ų10495.4 Ų95.449%0.48653%0.531SS..Hα-helixtrans-64.5-44174.9-72.4-68.6127.200111.7E25 Q32 D33E25-E29 WeakPolarHBondContact O-CG 3.31Å; E25-E29 PolarHBondContact O-N 3.39Å; E29-Q32 WeakPolarHBondContact O-CB 3.47Å; E29-Q32 PolarHBondContact O-N 3.13Å; E29-D33 PolarHBondContact O-N 2.88Å
30D93.1Very high81.8Confident83 Ų8395 Ų9544%0.44455%0.547SS..Hα-helixtrans-63.5-42.6177-168.359000111.6A26 W27 Q32 D33 I34A26-D30 WeakPolarHBondContact O-CB 3.14Å; A26-D30 PolarHBondContact O-N 3.16Å; W27-D30 PolarHBondContact O-N 3.07Å; D30-Q32 VanDerWaalsContact C-N 3.33Å; D30-Q32 PolarHBondContact O-N 3.41Å; D30-D33 PolarHBondContact O-N 2.81Å; D30-I34 WeakPolarHBondContact O-CD1 3.49Å; D30-I34 VanDerWaalsContact O-CG1 3.24Å; D30-I34 WeakPolarHBondContact O-CG1 3.22Å; D30-I34 PolarHBondContact O-N 2.91Å
31L93.5Very high81Confident77 Ų7795.3 Ų95.340%0.40356%0.562SS.*Hα-helixtrans-63.7-38.6173.7-72.4172.7000112.1W27 D33 L35W27-L31 WeakPolarHBondContact O-CB 3.35Å; W27-L31 VanDerWaalsContact O-CG 3.24Å; W27-L31 WeakPolarHBondContact O-CG 3.5Å; W27-L31 PolarHBondContact O-N 3.48Å; L31-D33 VanDerWaalsContact C-N 3.35Å; L31-L35 VanDerWaalsContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CB 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.32Å
32Q90.4Very high79.8Confident115 Ų11597 Ų9754%0.53757%0.571SS.*Hα-helixtrans-66.8-35.4174.4-77.9177.65500112.2Y28 E29 D30 G36Y28-Q32 WeakPolarHBondContact O-CB 3.49Å; Y28-Q32 VanDerWaalsContact O-CG 3.23Å; Y28-Q32 WeakPolarHBondContact O-CG 3.43Å; Y28-Q32 PolarHBondContact O-N 3.22Å; E29-Q32 WeakPolarHBondContact O-CB 3.47Å; E29-Q32 PolarHBondContact O-N 3.13Å; D30-Q32 VanDerWaalsContact C-N 3.33Å; D30-Q32 PolarHBondContact O-N 3.41Å; Q32-G36 WeakPolarHBondContact O-CA 3.34Å; Q32-G36 PolarHBondContact O-N 2.86Å
33D88.9Confident78.5Confident106 Ų106103.3 Ų103.357%0.56758%0.584SS**Hα-helixtrans-67.9-45.9175.1-170.445.3000110.9E29 D30 L31 L35 G36 S37E29-D33 PolarHBondContact O-N 2.88Å; D30-D33 PolarHBondContact O-N 2.81Å; L31-D33 VanDerWaalsContact C-N 3.35Å; D33-L35 PolarHBondContact O-N 2.91Å; D33-G36 PolarHBondContact O-N 3.35Å; D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.02Å; D33-S37 PolarHBondContact O-OG 3.12Å
34I90.6Very high76.8Confident105 Ų105106.5 Ų106.554%0.53860%0.603SS.*Hα-helixtrans-61.9-46.4177.8-65.7162.6000111D30D30-I34 WeakPolarHBondContact O-CD1 3.49Å; D30-I34 VanDerWaalsContact O-CG1 3.24Å; D30-I34 WeakPolarHBondContact O-CG1 3.22Å; D30-I34 PolarHBondContact O-N 2.91Å
35L86.1Confident74.5Confident132 Ų132110.1 Ų110.169%0.69163%0.629SS**Hα-helixtrans-75.7-34.4-180-66.9171.4000112.3L31 D33L31-L35 VanDerWaalsContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CB 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 3.32Å; D33-L35 PolarHBondContact O-N 2.91Å
36G74.8Confident72.6Confident33 Ų33115.5 Ų115.534%0.3464%0.644SS.*Hα-helixtrans-76.8-23.3-179.400000113.4Q32 D33 D38 T39Q32-G36 WeakPolarHBondContact O-CA 3.34Å; Q32-G36 PolarHBondContact O-N 2.86Å; D33-G36 PolarHBondContact O-N 3.35Å; G36-D38 PolarHBondContact O-N 3.23Å; G36-D38 VanDerWaalsContact O-N 3.16Å; G36-T39 PolarHBondContact O-N 3.34Å; G36-T39 PolarHBondContact O-OG1 3.41Å
37S68.6Low70.2Confident84 Ų84116.5 Ų116.559%0.58765%0.652SS**THydrogen-bonded Turntrans-59.6-22.5179.7-770000114.2D33D33-S37 WeakPolarHBondContact O-CB 3.29Å; D33-S37 PolarHBondContact O-N 3.02Å; D33-S37 PolarHBondContact O-OG 3.12Å
38D61.3Low67.8Low157 Ų157114.8 Ų114.884%0.8466%0.66SS**THydrogen-bonded Turntrans-91.3-7.5177.7-158.827.2000113.5G36G36-D38 PolarHBondContact O-N 3.23Å; G36-D38 VanDerWaalsContact O-N 3.16Å
39T59.1Low65.5Low114 Ų114114.4 Ų114.470%0.69967%0.673SS**THydrogen-bonded Turntrans-104.3-2.5-176.724.60000114.9G36 G41G36-T39 PolarHBondContact O-N 3.34Å; G36-T39 PolarHBondContact O-OG1 3.41Å; T39-G41 PolarHBondContact O-N 2.91Å
40G59Low62.7Low76 Ų76114.5 Ų114.578%0.78468%0.684SS**SBendtrans-92.564.7-175.700000114.9
41G56Low60.5Low81 Ų81115 Ų11584%0.83569%0.693SS**SBendtrans167.7-9.9166.700000120.3T39T39-G41 PolarHBondContact O-N 2.91Å
42A48.6Very low58.2Low94 Ų94119.7 Ų119.778%0.77771%0.713SS**SBendtrans-125.8120.3175.100000110.3L44A42-L44 PolarHBondContact O-N 3.23Å
43K52.2Low56.2Low209 Ų209121.1 Ų121.191%0.90972%0.718SS**  trans-56.9125.3179.7-67.1175.11721780110.8
44L49.6Very low54.5Low163 Ų163123.7 Ų123.785%0.85373%0.726SS**  trans14.4111.2164.3-84.390.5000117.4A42A42-L44 PolarHBondContact O-N 3.23Å
45T37.8Very low52.8Low145 Ų145123.6 Ų123.689%0.8973%0.731SS**  trans-120.2103.1132.328.90000108.4A47T45-A47 PolarHBondContact O-N 2.99Å
46R44.8Very low51.4Low221 Ų221124 Ų12483%0.83473%0.729SS**  trans-41.3118.7165.5171.9177176.8155.2-1.1109.4
47A41.5Very low50.5Low79 Ų79129.8 Ų129.865%0.65375%0.745SS**  trans-55139.5171.500000109.7T45T45-A47 PolarHBondContact O-N 2.99Å
48P43Very low50.1Low112 Ų112130.6 Ų130.673%0.72774%0.742SS**  trans-55.5143.5174.7-20.931.1000110.5C50P48-C50 PolarHBondContact O-N 3.3Å
49P43.4Very low50.3Low113 Ų113128 Ų12873%0.73473%0.729SS**  trans-60.5107.116525.9-30.2000107.5S51P49-S51 VanDerWaalsContact C-N 3.25Å; P49-S51 PolarHBondContact O-N 3.41Å
50C35.4Very low50.9Low106 Ų106126.9 Ų126.972%0.71672%0.722SS**  trans-73.983.9176.7-162.50000107.6P48P48-C50 PolarHBondContact O-N 3.3Å
51S45.9Very low51.5Low92 Ų92127.7 Ų127.764%0.64371%0.707SS**  trans-75.8128.6164.351.90000108.6P49P49-S51 VanDerWaalsContact C-N 3.25Å; P49-S51 PolarHBondContact O-N 3.41Å
52E46.2Very low51.9Low177 Ų177131.5 Ų131.583%0.82770%0.704SS**SBendtrans69.168.6149.1-156.6174.3-177.800115.9
53K48.4Very low52.8Low144 Ų144131.7 Ų131.763%0.62670%0.699SS**  trans-135.416.5159.8-42.3-166.3-174.5-166.20113.1T55K53-T55 VanDerWaalsContact C-N 3.35Å
54E52.2Low52.8Low160 Ų160125 Ų12575%0.74868%0.678SS**Hα-helixtrans-81.5-14.9-169.2-143.9173.4170.100112.9L58E54-L58 VanDerWaalsContact O-CD1 3.3Å; E54-L58 WeakPolarHBondContact O-CD1 3.4Å; E54-L58 VanDerWaalsContact O-CG 3.29Å; E54-L58 WeakPolarHBondContact O-CG 3.48Å
55T54.8Low53.2Low104 Ų104121.9 Ų121.964%0.63867%0.669SS**Hα-helixtrans-80.9-39.6178.424.80000113.4K53 D59K53-T55 VanDerWaalsContact C-N 3.35Å; T55-D59 PolarHBondContact O-N 2.9Å; T55-D59 VanDerWaalsContact O-N 3.11Å
56E56.1Low53.8Low141 Ų141118.8 Ų118.866%0.65965%0.647SS**Hα-helixtrans-76.2-36.2-173.8-57.9170.5-159.300112.4L58 D59 V60E56-L58 VanDerWaalsContact C-N 3.35Å; E56-D59 PolarHBondContact O-N 3.4Å; E56-V60 WeakPolarHBondContact O-CG2 3.29Å; E56-V60 PolarHBondContact O-N 3.11Å; E56-V60 VanDerWaalsContact O-N 3.13Å
57F56Low54.5Low154 Ų154114 Ų11468%0.67564%0.642SS**Hα-helixtrans-71.1-33.7177.9-161-94.2000111.6V60 L61F57-V60 PolarHBondContact O-N 2.8Å; F57-L61 HydrophobicContact CE1-CD1 4.44Å; F57-L61 WeakPolarHBondContact O-CB 3.29Å; F57-L61 PolarHBondContact O-N 3.02Å
58L61.6Low55Low100 Ų100119.8 Ų119.852%0.52465%0.647SS.*Hα-helixtrans-67.3-41.3172.4-77.1175.3000111.6E54 E56 V60 L61 E62E54-L58 VanDerWaalsContact O-CD1 3.3Å; E54-L58 WeakPolarHBondContact O-CD1 3.4Å; E54-L58 VanDerWaalsContact O-CG 3.29Å; E54-L58 WeakPolarHBondContact O-CG 3.48Å; E56-L58 VanDerWaalsContact C-N 3.35Å; L58-V60 VanDerWaalsContact C-N 3.31Å; L58-V60 PolarHBondContact O-N 3.47Å; L58-L61 CarbonylContact O-C 3.56Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 3.39Å; L58-L61 VanDerWaalsContact O-N 3.13Å; L58-E62 WeakPolarHBondContact O-CB 3.24Å; L58-E62 PolarHBondContact O-N 3.5Å
59D64Low55.4Low104 Ų104119.5 Ų119.556%0.55664%0.639SS**Hα-helixtrans-60.5-38.8175.1-1028.8000112.3T55 E56 E62 S63T55-D59 PolarHBondContact O-N 2.9Å; T55-D59 VanDerWaalsContact O-N 3.11Å; E56-D59 PolarHBondContact O-N 3.4Å; D59-E62 PolarHBondContact O-N 2.76Å; D59-S63 VanDerWaalsContact O-CB 3.29Å; D59-S63 WeakPolarHBondContact O-CB 3.43Å; D59-S63 PolarHBondContact O-N 2.91Å; D59-S63 PolarHBondContact O-OG 2.78Å
60V72.3Confident55.6Low90 Ų90119.6 Ų119.655%0.54564%0.638SS.*Hα-helixtrans-68-41.4174.3173.30000110.9E56 F57 L58 E62 S63 C64E56-V60 WeakPolarHBondContact O-CG2 3.29Å; E56-V60 PolarHBondContact O-N 3.11Å; E56-V60 VanDerWaalsContact O-N 3.13Å; F57-V60 PolarHBondContact O-N 2.8Å; L58-V60 VanDerWaalsContact C-N 3.31Å; L58-V60 PolarHBondContact O-N 3.47Å; V60-E62 VanDerWaalsContact C-N 3.3Å; V60-E62 PolarHBondContact O-N 3.08Å; V60-S63 PolarHBondContact O-N 3.26Å; V60-C64 PolarHBondContact O-N 3.5Å; V60-C64 PolarHBondContact O-SG 3.13Å; V60-C64 VanDerWaalsContact O-SG 3.36Å
61L71.1Confident56.2Low93 Ų93122.4 Ų122.449%0.48765%0.646SS.*Hα-helixtrans-66.9-32.1177.7-149.279.8000112.3F57 L58F57-L61 HydrophobicContact CE1-CD1 4.44Å; F57-L61 WeakPolarHBondContact O-CB 3.29Å; F57-L61 PolarHBondContact O-N 3.02Å; L58-L61 CarbonylContact O-C 3.56Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 3.39Å; L58-L61 VanDerWaalsContact O-N 3.13Å
62E65.5Low56.3Low161 Ų161121.1 Ų121.175%0.75265%0.647SS**Hα-helixtrans-77.6-30.4174.9-161.6171.7-153.900111.7L58 D59 V60L58-E62 WeakPolarHBondContact O-CB 3.24Å; L58-E62 PolarHBondContact O-N 3.5Å; D59-E62 PolarHBondContact O-N 2.76Å; V60-E62 VanDerWaalsContact C-N 3.3Å; V60-E62 PolarHBondContact O-N 3.08Å
63S67.2Low56.1Low97 Ų97118.6 Ų118.668%0.67864%0.644SS**Hα-helixtrans-74-25.7172.1-62.30000113.1D59 V60 S65D59-S63 VanDerWaalsContact O-CB 3.29Å; D59-S63 WeakPolarHBondContact O-CB 3.43Å; D59-S63 PolarHBondContact O-N 2.91Å; D59-S63 PolarHBondContact O-OG 2.78Å; V60-S63 PolarHBondContact O-N 3.26Å; S63-S65 PolarHBondContact O-N 2.88Å; S63-S65 VanDerWaalsContact O-N 3.08Å
64C51.5Low56.1Low70 Ų70115.5 Ų115.547%0.47365%0.652SS.*SBendtrans-69.4101.2166.5-70.80000108.5V60 L66V60-C64 PolarHBondContact O-N 3.5Å; V60-C64 PolarHBondContact O-SG 3.13Å; V60-C64 VanDerWaalsContact O-SG 3.36Å; C64-L66 VanDerWaalsContact O-CD1 3.29Å; C64-L66 WeakPolarHBondContact O-CD1 3.36Å; C64-L66 PolarHBondContact O-N 2.88Å
65S57.9Low55.5Low96 Ų96113.9 Ų113.967%0.67165%0.653SS**  trans-53.9109174.1-62.60000110.1S63 T67S63-S65 PolarHBondContact O-N 2.88Å; S63-S65 VanDerWaalsContact O-N 3.08Å; S65-T67 PolarHBondContact O-N 2.96Å
66L52Low54.7Low81 Ų81112.3 Ų112.342%0.42466%0.657SS.*  trans-69.245.9178.1-10576.2000112.3C64 W68 L69C64-L66 VanDerWaalsContact O-CD1 3.29Å; C64-L66 WeakPolarHBondContact O-CD1 3.36Å; C64-L66 PolarHBondContact O-N 2.88Å; L66-W68 PolarHBondContact O-N 3.38Å; L66-L69 HydrophobicContact CB-CB 4.46Å; L66-L69 HydrophobicContact CD2-CB 4.21Å; L66-L69 HydrophobicContact CD2-CD1 3.41Å; L66-L69 VanDerWaalsContact CD2-CD1 3.41Å; L66-L69 HydrophobicContact CD2-CG 4.43Å; L66-L69 HydrophobicContact CG-CB 4.45Å; L66-L69 HydrophobicContact CG-CD1 3.87Å; L66-L69 PolarHBondContact O-N 3.12Å; L66-L69 VanDerWaalsContact O-N 3.13Å
67T58Low54Low119 Ų119112.4 Ų112.473%0.7367%0.667SS**THydrogen-bonded Turntrans-66.9-18.8-179.652.30000112.7S65S65-T67 PolarHBondContact O-N 2.96Å
68W52.4Low53Low201 Ų201108.9 Ų108.976%0.76168%0.675SS**THydrogen-bonded Turntrans-84.1-6.8175.659-86.6000114L66L66-W68 PolarHBondContact O-N 3.38Å
69L52Low51.7Low107 Ų107107.2 Ų107.256%0.5668%0.682SS**SBendtrans-106.3-3.5178.7-89.4160.6000114L66L66-L69 HydrophobicContact CB-CB 4.46Å; L66-L69 HydrophobicContact CD2-CB 4.21Å; L66-L69 HydrophobicContact CD2-CD1 3.41Å; L66-L69 VanDerWaalsContact CD2-CD1 3.41Å; L66-L69 HydrophobicContact CD2-CG 4.43Å; L66-L69 HydrophobicContact CG-CB 4.45Å; L66-L69 HydrophobicContact CG-CD1 3.87Å; L66-L69 PolarHBondContact O-N 3.12Å; L66-L69 VanDerWaalsContact O-N 3.13Å
70T47.2Very low50.3Low115 Ų115111.2 Ų111.271%0.70670%0.697SS**  trans-124.654.3-177.4-43.40000112.1
71D47.3Very low49.1Very low165 Ų165110.7 Ų110.788%0.88270%0.702SS**SBendtrans-115.9100.5151.5-165.416.7000107.8
72G49.7Very low47.6Very low65 Ų65118.5 Ų118.567%0.6773%0.725SS**SBendtrans90.868169.600000116.6
73V40.8Very low46.3Very low124 Ų124114 Ų11475%0.75272%0.723SS**  -172.5114.2126.3157.40000107.1V75V73-V75 HydrophobicContact CG1-CG2 4.28Å; V73-V75 PolarHBondContact O-N 2.96Å
74G48.8Very low44.9Very low78 Ų78113.5 Ų113.580%0.80473%0.733SS**  trans-66.4117.5169.500000110.3
75V39.7Very low44.1Very low127 Ų127114 Ų11477%0.7775%0.749SS**  trans-125.396.1147.3179.60000105.6V73V73-V75 HydrophobicContact CG1-CG2 4.28Å; V73-V75 PolarHBondContact O-N 2.96Å
76G38.2Very low43.4Very low70 Ų70118.7 Ų118.772%0.72276%0.76SS**  trans-71.2135.1174.800000110.9
77V40.3Very low42.8Very low143 Ų143118.3 Ų118.387%0.86778%0.776SS**  trans-126.7100.2142.7177.60000106.8
78G35Very low42Very low81 Ų81118.8 Ų118.884%0.83578%0.778SS**SBendtrans65.5118.516100000116.4
79G35.6Very low41.3Very low65 Ų65116.5 Ų116.567%0.6778%0.776SS**  cis156.7129.513.300000107.5
80Q33.6Very low40.7Very low187 Ų187120.9 Ų120.987%0.87479%0.785SS**  trans68.9104.4152.3-62.8-179.374.100116.9
81A46.6Very low40.2Very low79 Ų79121.7 Ų121.765%0.65379%0.79SS**  88.898.477.700000112.3
82W41.3Very low39.7Very low257 Ų257119.8 Ų119.897%0.97378%0.784SS**  trans-143.9112.3137.5-64.987.9000103.2
83G37.3Very low39.2Very low68 Ų68123.1 Ų123.170%0.70179%0.785SS**  cis72.387.636.800000108.7
84G37.1Very low39.2Very low86 Ų86122.9 Ų122.989%0.88779%0.786SS**  trans76.8126.1155.700000116.6
85G36.6Very low38.4Very low79 Ų79127.3 Ų127.381%0.81479%0.786SS**  trans179.955174.300000113.3
86E43.1Very low38.2Very low195 Ų195129.2 Ų129.291%0.91179%0.787SS**  trans-46.3134.5157.3-177.5179.9166.800110.8
87G37.7Very low39.2Very low73 Ų73129.9 Ų129.975%0.75378%0.778SS**  trans-167.755-176.900000112.5Q89G87-Q89 PolarHBondContact O-N 3.46Å
88V42.1Very low39.6Very low129 Ų129128 Ų12878%0.78277%0.769SS**  trans-46.5129.1150.3162.20000107.6
89Q37.3Very low39.5Very low154 Ų154129.5 Ų129.572%0.7276%0.762SS**  trans-168.9110.4142.2-83.6-13686.900112.3G87G87-Q89 PolarHBondContact O-N 3.46Å
90R39Very low39.8Very low199 Ų199134.6 Ų134.675%0.75177%0.768SS**  trans92.490136.4-55.2-178.1-55.1-179.59.2119
91V38Very low40.5Very low132 Ų132131.1 Ų131.180%0.876%0.762SS**  trans-56.7125.4141.1171.10000108.9I93V91-I93 HydrophobicContact CG1-CD1 4.49Å; V91-I93 HydrophobicContact CG1-CG1 3.87Å
92T35.7Very low40.5Very low124 Ų124132.7 Ų132.776%0.76177%0.765SS**  trans-117110.2162.7-56.80000107.9
93I39.9Very low41.1Very low135 Ų135126.7 Ų126.769%0.69276%0.759SS**  trans-80.8138.7167.7-62.5179.4000107.9V91 E95V91-I93 HydrophobicContact CG1-CD1 4.49Å; V91-I93 HydrophobicContact CG1-CG1 3.87Å; I93-E95 VanDerWaalsContact CG2-N 3.34Å
94P40.4Very low41.3Very low119 Ų119128.6 Ų128.677%0.77376%0.762SS**  trans-120.8101.3139.822.8-6.8000107.9
95E32.3Very low41.2Very low172 Ų172129.6 Ų129.680%0.80476%0.755SS**  48.3110.686.9-148.3-116.7136.900114.3I93I93-E95 VanDerWaalsContact CG2-N 3.34Å
96E36.1Very low41.2Very low167 Ų167132.1 Ų132.178%0.7876%0.755SS**  trans-143.9158.2174.7-164.6-115.9142.100104.5
97P58Low40.8Very low84 Ų84126.9 Ų126.955%0.54575%0.745SS.*  cis-131.6-162.7-24.740.6-22.5000112.4
98P48.3Very low40.7Very low104 Ų104131.6 Ų131.668%0.67575%0.752SS**  -146.2164.57735.1-13.1000113.2
99T33.8Very low40.6Very low112 Ų112131.1 Ų131.169%0.68775%0.754SS**  175.3121.957.2-10000108.6
100H40.8Very low40.8Very low171 Ų171132 Ų13279%0.79276%0.762SS**  trans27.7168.3147.2-38.8-68000124.4
101P48.6Very low40.9Very low115 Ų115130 Ų13075%0.74777%0.767SS**  cis-132.2179.4-35.129.8-8.3000113.8
102P47.6Very low41.2Very low112 Ų112129.5 Ų129.573%0.72777%0.766SS**PPolyproline II helixtrans-94.5158.7176.937.3-32.6000113.2
103P52.7Low41.1Very low130 Ų130127.7 Ų127.784%0.84476%0.764SS**PPolyproline II helixtrans-93121.7160.632.3-27.2000111.9
104S42Very low41.2Very low109 Ų109130.5 Ų130.576%0.76277%0.774SS**PPolyproline II helixtrans-76.9137.9155.2-60.70000110.1
105S35.3Very low41.1Very low106 Ų106133.7 Ų133.774%0.74178%0.778SS**  trans-176.999.6148.3-82.70000108.5
106T36.5Very low41.6Very low133 Ų133134.6 Ų134.682%0.81677%0.774SS**  69.711998.755.70000115.3
107A35.3Very low41.8Very low85 Ų85132.7 Ų132.770%0.70277%0.774SS**  121.8127.8119.100000117.5
108L35.9Very low40.8Very low171 Ų171135.5 Ų135.590%0.89578%0.78SS**  trans92.1108.8142.7-57.3170.7000120
109C39Very low40.4Very low120 Ų120134 Ų13481%0.81178%0.784SS**  trans-42.2146.8146.9-47.90000112
110L41.9Very low41.2Very low171 Ų171134.5 Ų134.590%0.89579%0.789SS**  trans-176.7121138.2-93.6172.1000109.4
111N40.8Very low41.3Very low159 Ų159138 Ų13885%0.8580%0.795SS**  trans-89.8149.2156.5-78.8-53000108.5
112P44.4Very low41Very low120 Ų120140 Ų14078%0.77980%0.8SS**  -141.2132.7121.125.4-5.5000111.7
113A34.3Very low41.2Very low87 Ų87146.8 Ų146.872%0.71981%0.811SS**  86.5117.384.100000114.6
114E41.9Very low40.9Very low193 Ų193150 Ų15090%0.90281%0.814SS**  trans54.2117.7144.1-52.5-165.6142.600121.1
115E38.1Very low40.7Very low186 Ų186148.5 Ų148.587%0.86982%0.817SS**  -149.6130.5125.5-161.1170.8144.100111.1
116R41.6Very low41Very low191 Ų191146.9 Ų146.972%0.72182%0.817SS**  trans-105.2127-175.2-171.9-178.5-169.8-77.7-9.5106.3E118R116-E118 IonicContact CZ-OE1 3.12Å; R116-E118 IonicContact NH1-OE1 2.66Å; R116-E118 PolarHBondContact NH1-OE1 3.26Å; R116-E118 IonicContact NH1-OE2 3.63Å; R116-E118 IonicContact NH2-OE1 2.78Å; R116-E118 PolarHBondContact NH2-OE1 3Å
117T41.8Very low41.6Very low127 Ų127151.7 Ų151.778%0.77982%0.82SS**  trans-145123.8160.3-42.10000110.5
118E37.1Very low42Very low143 Ų143154.8 Ų154.867%0.66883%0.825SS**  trans-88.8151.8-178.7-59.6170.6150.300110.5R116R116-E118 IonicContact CZ-OE1 3.12Å; R116-E118 IonicContact NH1-OE1 2.66Å; R116-E118 PolarHBondContact NH1-OE1 3.26Å; R116-E118 IonicContact NH1-OE2 3.63Å; R116-E118 IonicContact NH2-OE1 2.78Å; R116-E118 PolarHBondContact NH2-OE1 3Å
119G38.6Very low42.5Very low73 Ų73150.6 Ų150.675%0.75382%0.823SS**  trans130.2150.4136.800000118.3
120P50.2Low42.9Very low122 Ų122149.6 Ų149.679%0.79282%0.823SS**  trans-117.6175-135.638.8-25.8000113.9
121R43.2Very low43.1Very low246 Ų246145.7 Ų145.793%0.92882%0.824SS**  trans-171.2138.7149.6-102.4155.9-154.2-92.15114.1
122D43.3Very low43.2Very low157 Ų157141.6 Ų141.684%0.8482%0.82SS**  trans-67.4151.9-179.8-47-78000114.5
123R51.2Low43.4Very low253 Ų253142 Ų14296%0.95583%0.826SS**  trans-161.7123.2134.4-127.2174.4176.1134.4-2.7114.6
124E46.1Very low44.1Very low197 Ų197141 Ų14192%0.92182%0.823SS**  trans-58.5152.6163.3-176.1-177.3171.900113.6
125G39Very low44.7Very low79 Ų79136.3 Ų136.381%0.81483%0.827SS**  trans165.4107164.200000113.4
126G41.6Very low45.6Very low72 Ų72129.1 Ų129.174%0.74280%0.803SS**  trans-106.9-170.9-179.800000115.6
127R48.7Very low46.5Very low233 Ų233127.7 Ų127.788%0.87981%0.81SS**  trans75.7140.9171.6-51.2179.2158.6-133.2-2.3113.6
128D43.9Very low47.3Very low150 Ų150129.7 Ų129.780%0.80282%0.815SS**  cis-145.4150.432.7-61.4-70.4000108.6
129G46.8Very low49Very low84 Ų84126.9 Ų126.987%0.86680%0.803SS**  85.961.961.800000112.7
130A45.6Very low50.8Low99 Ų99127.5 Ų127.582%0.81879%0.794SS**  trans-136.9112165.800000110.4
131G47.3Very low51.6Low88 Ų88126.9 Ų126.991%0.90779%0.791SS**  trans-67.7132.6169.700000110.4
132G42.4Very low52.7Low74 Ų74122.4 Ų122.476%0.76378%0.78SS**  trans-150.3109.2175.800000108.9
133S49.1Very low53.8Low129 Ų129119.6 Ų119.690%0.90276%0.761SS**  trans-59.5145175.3-177.40000112
134G49.4Very low54.6Low65 Ų65112.2 Ų112.267%0.6774%0.735SS**SBendtrans89.5119.7150.700000115.4G136G134-G136 PolarHBondContact O-N 3.35Å; G134-G136 VanDerWaalsContact O-N 3.11Å
135G53.5Low55.7Low94 Ų94109.5 Ų109.597%0.96972%0.723SS**  trans-56.2113.2174.900000112
136G57.4Low56.8Low36 Ų36112 Ų11237%0.37172%0.717SS.*  trans-121.412.1174.300000113.4G134 L138G134-G136 PolarHBondContact O-N 3.35Å; G134-G136 VanDerWaalsContact O-N 3.11Å; G136-L138 VanDerWaalsContact C-N 3.3Å; G136-L138 PolarHBondContact O-N 3Å
137D59.4Low57.8Low161 Ų161114.3 Ų114.386%0.86171%0.711SS**THydrogen-bonded Turntrans-91.120.7-170.1-155.129.2000114.3
138L59.7Low58.3Low169 Ų169108.2 Ų108.289%0.88571%0.705SS**THydrogen-bonded Turntrans-123.75.3176-67.8177000113.3G136G136-L138 VanDerWaalsContact C-N 3.3Å; G136-L138 PolarHBondContact O-N 3Å
139L72.1Confident59Low83 Ų83109.5 Ų109.544%0.43571%0.706SS.*SBendtrans-116.3127.3-175.7-65173.7000110F143 F144L139-F143 HydrophobicContact CB-CB 4.27Å; L139-F143 HydrophobicContact CB-CD1 4.38Å; L139-F143 HydrophobicContact CD1-CD1 3.66Å; L139-F143 HydrophobicContact CD1-CE1 3.84Å; L139-F143 HydrophobicContact CD1-CG 4.43Å; L139-F143 HydrophobicContact CD2-CD1 4.44Å; L139-F143 HydrophobicContact CD2-CG 4.49Å; L139-F143 HydrophobicContact CG-CD1 4.38Å; L139-F144 HydrophobicContact CB-CE2 4.01Å
140P76.6Confident59.2Low86 Ų86107.9 Ų107.956%0.55869%0.689SS**  trans-52.2144.9173.1-24.633.2000110.5E142 F143P140-E142 PolarHBondContact O-N 3.44Å; P140-F143 WeakPolarHBondContact O-CB 3.3Å; P140-F143 PolarHBondContact O-N 2.97Å
141P66.6Low59.5Low110 Ų110107 Ų10771%0.71469%0.69SS**THydrogen-bonded Turntrans-50.1-31.4178.7-28.434.8000113.7F143 F144P141-F143 PolarHBondContact O-N 3.4Å; P141-F144 PolarHBondContact O-N 3.48Å
142E67.4Low59.6Low152 Ų152111.1 Ų111.171%0.7169%0.69SS**Hα-helixtrans-61.7-23.7178-56.3-161.7179.800114P140 F144P140-E142 PolarHBondContact O-N 3.44Å; E142-F144 VanDerWaalsContact C-N 3.33Å; E142-F144 PolarHBondContact O-N 3.16Å
143F65.5Low59.8Low98 Ų98110.9 Ų110.943%0.4369%0.688SS.*Hα-helixtrans-73.9-25.2178.7-168.8-94.4000112.8L139 P140 P141 L147L139-F143 HydrophobicContact CB-CB 4.27Å; L139-F143 HydrophobicContact CB-CD1 4.38Å; L139-F143 HydrophobicContact CD1-CD1 3.66Å; L139-F143 HydrophobicContact CD1-CE1 3.84Å; L139-F143 HydrophobicContact CD1-CG 4.43Å; L139-F143 HydrophobicContact CD2-CD1 4.44Å; L139-F143 HydrophobicContact CD2-CG 4.49Å; L139-F143 HydrophobicContact CG-CD1 4.38Å; P140-F143 WeakPolarHBondContact O-CB 3.3Å; P140-F143 PolarHBondContact O-N 2.97Å; P141-F143 PolarHBondContact O-N 3.4Å; F143-L147 HydrophobicContact CD1-CD1 4.26Å; F143-L147 HydrophobicContact CE1-CD1 3.97Å
144F67.4Low60.1Low97 Ų97113.9 Ų113.943%0.42569%0.69SS.*Hα-helixtrans-80.1-26.1-179.3-72.7-89.4000113.1L139 P141 E142 L147 S148L139-F144 HydrophobicContact CB-CE2 4.01Å; P141-F144 PolarHBondContact O-N 3.48Å; E142-F144 VanDerWaalsContact C-N 3.33Å; E142-F144 PolarHBondContact O-N 3.16Å; F144-L147 PolarHBondContact O-N 3.5Å; F144-S148 PolarHBondContact O-N 3.46Å; F144-S148 VanDerWaalsContact O-N 3.16Å; F144-S148 PolarHBondContact O-OG 2.94Å
145E69.7Low59.8Low140 Ų140117.2 Ų117.265%0.65470%0.697SS**Hα-helixtrans-65.6-40.6175.9-70.7-177166.800111.1L147 S148 E149E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.28Å; E145-S148 PolarHBondContact O-N 3.36Å; E145-S148 VanDerWaalsContact O-N 3.14Å; E145-E149 PolarHBondContact O-N 3.37Å
146L62.4Low58.9Low133 Ų133120 Ų12070%0.69669%0.689SS**Hα-helixtrans-60.7-36.9176.3-79150.7000113.6
147L63.1Low57.7Low119 Ų119123.8 Ų123.862%0.62371%0.71SS**Hα-helixtrans-77.1-28.4177.9-68.7174.5000112.4F143 F144 E145 E149F143-L147 HydrophobicContact CD1-CD1 4.26Å; F143-L147 HydrophobicContact CE1-CD1 3.97Å; F144-L147 PolarHBondContact O-N 3.5Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.28Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 2.81Å
148S59.1Low56.4Low105 Ų105120.4 Ų120.473%0.73470%0.699SS**Hα-helixtrans-73.6-22.5-179.8-57.70000112.3F144 E145F144-S148 PolarHBondContact O-N 3.46Å; F144-S148 VanDerWaalsContact O-N 3.16Å; F144-S148 PolarHBondContact O-OG 2.94Å; E145-S148 PolarHBondContact O-N 3.36Å; E145-S148 VanDerWaalsContact O-N 3.14Å
149E58.2Low55.1Low178 Ų178121.6 Ų121.683%0.83269%0.693SS**THydrogen-bonded Turntrans-95.32.3-172.3-162.6144.2-170.300114.7E145 L147E145-E149 PolarHBondContact O-N 3.37Å; L147-E149 VanDerWaalsContact C-N 3.28Å; L147-E149 PolarHBondContact O-N 2.81Å
150G52.3Low53.3Low49 Ų49126.4 Ų126.451%0.50571%0.714SS.*  trans-139.153.4-171.100000115.3L152G150-L152 PolarHBondContact O-N 3.01Å
151G49.9Very low51.2Low82 Ų82130.2 Ų130.285%0.84572%0.723SS**  trans-67.986.517300000112.7G153G151-G153 PolarHBondContact O-N 2.91Å
152L51.3Low49.6Very low173 Ų173133.6 Ų133.691%0.90673%0.729SS**  trans-80.7110.1173.4-66.4179.2000110.4G150G150-L152 PolarHBondContact O-N 3.01Å
153G46.7Very low48Very low70 Ų70133.9 Ų133.972%0.72273%0.73SS**  trans-64.4152.1-175.700000114.8G151 V155G151-G153 PolarHBondContact O-N 2.91Å; G153-V155 PolarHBondContact O-N 2.81Å
154M54Low46.3Very low192 Ų192133.2 Ų133.295%0.94674%0.738SS**  trans-58.6119.1167.6-64.9-118.162.100109.8
155V43.8Very low44.6Very low134 Ų134135.6 Ų135.681%0.81276%0.755SS**  trans-114.9132.416781.30000110.5G153G153-V155 PolarHBondContact O-N 2.81Å
156D33.4Very low42.8Very low152 Ų152135.9 Ų135.981%0.81376%0.761SS**  trans-65.7144.2-169.5-156.80.1000112.8
157S34.1Very low41.5Very low116 Ų116135 Ų13581%0.81176%0.761SS**  trans-111116.9179.8-82.70000110.7
158S30.4Very low40.1Very low90 Ų90137.4 Ų137.463%0.62977%0.769SS**  trans-144.1102-178.7-136.10000112.6
159Y32.4Very low39.2Very low194 Ų194140.9 Ų140.976%0.76177%0.774SS**  trans50.1121.3151.4-39.8-75.8000122.8
160H34.3Very low38.6Very low185 Ų185138.1 Ų138.186%0.85677%0.771SS**  166.4160.892.4-96-57.5000112.7
161H32.8Very low37.7Very low165 Ų165140.1 Ų140.176%0.76478%0.783SS**  trans-128.6129.7-152.3-16376.4000110.6
162H33.8Very low36.9Very low181 Ų181142.1 Ų142.184%0.83878%0.784SS**  trans-166.8156.2162.9-74.6-68.4000109
163H32.4Very low36.6Very low158 Ų158139.9 Ų139.973%0.73178%0.78SS**  cis-171.8142.4-39.4-147.5-75.7000105
164S31.1Very low36.1Very low84 Ų84142 Ų14259%0.58778%0.784SS**  trans78.7136.3147.49.80000124.7
165N31.5Very low34.9Very low148 Ų148138.9 Ų138.979%0.79178%0.776SS**  trans100.8103.7142.7-60-15.8000116.7
166N31.8Very low34.4Very low145 Ų145136.6 Ų136.678%0.77577%0.766SS**  85.614671-16716.7000111.4
167V35.3Very low34.8Very low116 Ų116136.4 Ų136.470%0.70376%0.76SS**  trans10892.8174.2-177.60000111.7
168Q34.4Very low34.9Very low168 Ų168138.1 Ų138.179%0.78576%0.755SS**  107.4104.270.7-125.6151.1-1300110.3
169Q39.6Very low35.3Very low179 Ų179140.3 Ų140.384%0.83676%0.76SS**  trans-84.9153.7151.4-70.2-164.5-19.700108.7
170P45.4Very low35.5Very low119 Ų119139.4 Ų139.477%0.77376%0.762SS**  -142.9138.796.825.7-4.9000112.6
171A32.2Very low35.7Very low92 Ų92139.4 Ų139.476%0.7676%0.762SS**  64.7107.781.600000114.9
172S34.6Very low36.6Very low124 Ų124137 Ų13787%0.86776%0.762SS**  trans-84.3154.2164.1-510000111
173P44.6Very low36.6Very low125 Ų125134.6 Ų134.681%0.81276%0.763SS**  trans-117.7138.5157.233.9-22.4000113.5
174S35.2Very low37.2Very low115 Ų115133.3 Ų133.380%0.80477%0.767SS**  trans-58.7154165-51.80000113.8
175T30.1Very low38.4Very low127 Ų127135.2 Ų135.278%0.77978%0.777SS**  trans-153.8126135.877.60000107.4
176S33Very low38.4Very low86 Ų86135.1 Ų135.160%0.60178%0.776SS**  79.3144.2104.176.20000111.8
177E40.8Very low38.8Very low147 Ų147133.3 Ų133.369%0.68778%0.775SS**  cis-176.5162.624.133-151.951.500108.9
178E37.1Very low39.5Very low153 Ų153133.1 Ų133.172%0.71578%0.776SS**  trans31.3130.1152.269-152.482.500123.6
179D38.9Very low39.5Very low135 Ų135130.2 Ų130.272%0.72278%0.775SS**  174.7108.9115.9-122.7-117.3000114
180E36.5Very low39.1Very low175 Ų175126.7 Ų126.782%0.81877%0.768SS**  trans20.6123.6134-39.8-161.4107.600122.2
181H38.9Very low38.8Very low185 Ų185126.5 Ų126.586%0.85677%0.77SS**  trans-67.1172.5156.3-62.7-75.6000111
182P51.9Low39.1Very low116 Ų116127.1 Ų127.175%0.75377%0.768SS**  cis-148.4-177.422.339.4-16.8000115.7
183C32.1Very low39.2Very low129 Ų129126.7 Ų126.787%0.87277%0.765SS**  trans-175.2113.6141.8-101.90000112.6
184V46.1Very low39Very low132 Ų132125.5 Ų125.580%0.877%0.767SS**  trans-77.7156155-84.80000109.8
185P55.9Low39Very low123 Ų123124.2 Ų124.280%0.79976%0.762SS**  -135.3152.7127.332.3-18.3000114.6
186D31.3Very low39.5Very low146 Ų146123.6 Ų123.678%0.78176%0.763SS**  trans-63.9146.7-179.3-66.1-70.6000115.9
187S41.8Very low40.4Very low107 Ų107125.1 Ų125.175%0.74877%0.771SS**  28.6162.5129.4-46.20000120.7
188P49.1Very low40.2Very low113 Ų113123.7 Ų123.773%0.73478%0.777SS**  cis-152.1-176.221.540.4-16.8000117.7
189S34.9Very low40.9Very low107 Ų107122.2 Ų122.275%0.74878%0.781SS**  trans54.8154.5141.2-75.90000122.4
190C31.6Very low40.9Very low104 Ų104120.7 Ų120.770%0.70378%0.781SS**  cis179.4158.4-17.6-91.70000105.6
191S37.5Very low41.1Very low115 Ų115119.6 Ų119.680%0.80478%0.78SS**  trans82.2149.6156.4-48.10000118.1
192S38.6Very low40.9Very low105 Ų105117.4 Ų117.473%0.73478%0.775SS**  cis176.2153.5-18.6-89.40000106.3
193S36.8Very low39.9Very low115 Ų115118.4 Ų118.480%0.80478%0.783SS**  trans140.1108.5146.1-64.60000111
194A40.3Very low40.4Very low101 Ų101117.6 Ų117.684%0.83578%0.779SS**  76141.881.600000112.4
195A34.8Very low40.4Very low87 Ų87117 Ų11772%0.71978%0.777SS**  cis-177.3168.6-10.600000106.5
196S41.8Very low40.5Very low114 Ų114117.2 Ų117.280%0.79778%0.779SS**  trans106159153.2-33.90000117.3
197P52.1Low40.6Very low118 Ų118116.1 Ų116.177%0.76678%0.783SS**  -134.3167.1-95.427.3-2.7000116.5
198S37.3Very low40.5Very low117 Ų117116.1 Ų116.182%0.81878%0.783SS**  trans12.4156150.6-54.90000122.5
199P49.9Very low40.6Very low123 Ų123117 Ų11780%0.79979%0.789SS**  cis-146.7170.738.538.6-15.6000119.4
200S39.2Very low40.6Very low103 Ų103117.9 Ų117.972%0.7279%0.789SS**  trans-64.8157.3175.247.50000116.3
201L40.3Very low40.7Very low151 Ų151118.4 Ų118.479%0.79179%0.794SS**  -176.4123.5120-91.4171.6000113.2
202N35Very low40.5Very low140 Ų140117.7 Ų117.775%0.74979%0.789SS**  trans57.5117.5147-67.212.4000122.9
203C32.6Very low40.4Very low136 Ų136120.1 Ų120.192%0.91979%0.793SS**  -161.1122.6118.7-95.60000110.2
204S40.9Very low40.4Very low113 Ų113121.5 Ų121.579%0.7980%0.797SS**PPolyproline II helixtrans-74.6150.6-178.8-48.10000113.1
205P47.9Very low40.2Very low118 Ų118121.7 Ų121.777%0.76679%0.792SS**PPolyproline II helixtrans-88.1144.6158.532.9-29.3000111.2
206P56.6Low40.3Very low129 Ų129124 Ų12484%0.83880%0.797SS**PPolyproline II helixtrans-79152.4174.331.1-32.5000113.1
207S33.9Very low40Very low122 Ų122122.8 Ų122.885%0.85379%0.794SS**PPolyproline II helixtrans-63.7154.4-171.4-500000116.8
208S39.6Very low39.4Very low107 Ų107126.8 Ų126.875%0.74880%0.8SS**  trans-52175.5173-38.60000116.1
209P50.7Low39.2Very low133 Ų133125.8 Ų125.886%0.86479%0.793SS**  -127.7153.1110.635-26.6000114.8
210V35.4Very low38.6Very low124 Ų124128.1 Ų128.175%0.75280%0.798SS**  trans-67.2139.6177.7162.10000112
211S33.9Very low38.6Very low115 Ų115128.3 Ų128.380%0.80480%0.799SS**  trans-160102.9137.1-80.90000111.8
212S33.4Very low38.7Very low100 Ų100132.7 Ų132.770%0.69981%0.805SS**  trans6096.3136.2-52.90000121.6
213L36Very low39.1Very low156 Ų156134.1 Ų134.182%0.81781%0.812SS**  26.7107.3120-70.3153.1000118.3
214T36.4Very low39.4Very low144 Ų144130.6 Ų130.688%0.88380%0.798SS**  trans-139.7112.2131.233.30000109
215S36.7Very low39.6Very low105 Ų105134.7 Ų134.773%0.73480%0.802SS**  trans-76.8129175.7-71.60000110.2
216T36.9Very low39.6Very low135 Ų135140.5 Ų140.583%0.82881%0.809SS**  trans-125.382151.939.60000108.4F218T216-F218 PolarHBondContact O-N 2.93Å
217A34.7Very low39.2Very low90 Ų90144.2 Ų144.274%0.74481%0.812SS**  trans-69.5106161.300000107.8S219A217-S219 PolarHBondContact O-N 2.92Å
218F40Very low39.7Very low201 Ų201150.3 Ų150.388%0.88282%0.816SS**  trans-82.897.7164.2-122.8-89.5000107.9T216 L220T216-F218 PolarHBondContact O-N 2.93Å; F218-L220 PolarHBondContact O-N 3.13Å; F218-L220 VanDerWaalsContact O-N 3.08Å
219S32.8Very low39.4Very low96 Ų96149 Ų14967%0.67182%0.82SS**  trans-58106.2171-63.10000110.5A217 S221A217-S219 PolarHBondContact O-N 2.92Å; S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.36Å
220L36.7Very low39.3Very low173 Ų173150 Ų15091%0.90682%0.818SS**  trans-73.181164-90.9151.7000109.3F218 R222F218-L220 PolarHBondContact O-N 3.13Å; F218-L220 VanDerWaalsContact O-N 3.08Å; L220-R222 PolarHBondContact O-N 2.95Å
221S39.6Very low39.4Very low107 Ų107149.4 Ų149.475%0.74882%0.819SS**  trans-79.796.4168.8-65.20000109.8S219 L223S219-S221 VanDerWaalsContact C-N 3.27Å; S219-S221 PolarHBondContact O-N 3.36Å; S221-L223 PolarHBondContact O-N 3.46Å
222R44Very low40.1Very low242 Ų242151.6 Ų151.691%0.91382%0.821SS**  trans-61.3121154-70.4178.1-179.5-122.30.1108.2L220L220-R222 PolarHBondContact O-N 2.95Å
223L41.7Very low40.3Very low171 Ų171152.4 Ų152.490%0.89583%0.826SS**  trans-143.4102.4158.6-164.264.4000110.5S221S221-L223 PolarHBondContact O-N 3.46Å
224G40.7Very low40.4Very low61 Ų61154.4 Ų154.463%0.62983%0.829SS**  trans-80.1143.3163.300000111.2
225K44.1Very low41.2Very low200 Ų200152.6 Ų152.687%0.8782%0.82SS**  157.2111.9129.9-89.3173171.71720112.1
226R48.2Very low41.6Very low239 Ų239152.9 Ų152.990%0.90282%0.822SS**  trans32.9129.6141.4-12.7-177.8-54.2176.46.5120.2
227K47.1Very low41.8Very low208 Ų208153.4 Ų153.490%0.90483%0.825SS**  -162.3136.1126.9-166.4148.6177.8-179.60112.6
228R44.5Very low42.4Very low250 Ų250152.9 Ų152.994%0.94383%0.828SS**  trans-63150.4173.2-66-179.5-175.2-165.80.4112
229G34.8Very low42.5Very low80 Ų80148.5 Ų148.583%0.82582%0.823SS**  trans-166.796163.700000111.7
230N47.3Very low43.3Very low154 Ų154155 Ų15582%0.82483%0.832SS**  trans-86.3125170166.277.1000109.4
231S38.5Very low44Very low111 Ų111151.9 Ų151.978%0.77683%0.825SS**  trans-172.4126.9148.851.50000112.3
232L48.8Very low44.7Very low161 Ų161151.3 Ų151.384%0.84382%0.821SS**  trans-60.2138.7170.4-61.1155.5000112.5
233S37.8Very low45Very low116 Ų116144.5 Ų144.581%0.81181%0.811SS**  trans176124.5139.554.10000113
234F38.1Very low45.2Very low198 Ų198140.3 Ų140.387%0.86880%0.795SS**  trans-50.9-168.8173.9-58.5-90.2000117.1
235P52.5Low45.7Very low107 Ų107140.8 Ų140.870%0.69579%0.789SS**  -128172.4-55.934.3-17000113.6
236S44.1Very low46.1Very low111 Ų111135.4 Ų135.478%0.77678%0.777SS**  trans52.9116151.3-57.80000121.2
237T42.1Very low46.3Very low145 Ų145127.7 Ų127.789%0.8976%0.76SS**  trans-166.2131130.515.20000109.9S239T237-S239 PolarHBondContact O-N 3.21Å
238G47.3Very low46.7Very low79 Ų79120.9 Ų120.981%0.81474%0.742SS**  trans-58.9130.8-17500000113.1
239S42.5Very low47.3Very low110 Ų110116.3 Ų116.377%0.76973%0.729SS**  trans-112.2110.3154.8-72.40000107.1T237 S241T237-S239 PolarHBondContact O-N 3.21Å; S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 2.89Å
240R49.4Very low48.7Very low231 Ų231120.1 Ų120.187%0.87272%0.723SS**  trans-60.988.2172.3-61.7163.987.8178.17.4107.9S242R240-S242 PolarHBondContact O-N 2.93Å; R240-S242 VanDerWaalsContact O-N 3.12Å
241S49.9Very low50.2Low109 Ų109116.3 Ų116.376%0.76271%0.708SS**  trans-83.165.7166.455.50000108.8S239S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 2.89Å
242S54.5Low52.6Low95 Ų95119.1 Ų119.166%0.66470%0.702SS**  trans-12349.6176.966.50000110.9R240R240-S242 PolarHBondContact O-N 2.93Å; R240-S242 VanDerWaalsContact O-N 3.12Å
243S50.9Low54.6Low99 Ų99119.6 Ų119.669%0.69269%0.692SS**SBendtrans-146.612.2172.857.20000114.8
244S46.5Very low57.1Low82 Ų82120.2 Ų120.257%0.57368%0.682SS**SBendtrans-94.80.2171.252.70000113.9S247S244-S247 PolarHBondContact O-OG 3.01Å
245S50.4Low59.6Low72 Ų72119.9 Ų119.950%0.50368%0.675SS.*THydrogen-bonded Turntrans-84.4-6.4-178.161.40000114.5K249S245-K249 WeakPolarHBondContact O-CD 3.42Å; S245-K249 WeakPolarHBondContact O-CG 3.37Å
246S52.8Low61.6Low86 Ų86118.4 Ų118.460%0.60166%0.659SS**THydrogen-bonded Turntrans-94.2-30.1176.659.20000112.8K250S246-K250 WeakPolarHBondContact O-CB 3.32Å; S246-K250 PolarHBondContact O-N 3.39Å; S246-K250 VanDerWaalsContact O-N 3.15Å
247S52.3Low64Low78 Ų78117 Ų11755%0.54564%0.64SS.*Hα-helixtrans-77.3-41.5178570000112.5S244 K249 K250 S251S244-S247 PolarHBondContact O-OG 3.01Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 2.78Å; S247-K250 PolarHBondContact O-N 3.18Å; S247-S251 PolarHBondContact O-N 2.9Å
248A55.9Low66.6Low64 Ų64116.4 Ų116.453%0.52963%0.627SS.*Hα-helixtrans-64.8-35.1174.300000112.5R252A248-R252 WeakPolarHBondContact O-CB 3.48Å; A248-R252 PolarHBondContact O-N 2.98Å
249K57.9Low68.9Low154 Ų154117.3 Ų117.367%0.6761%0.613SS**Hα-helixtrans-70.9-33.7174.4-72.3-177.5-175.6-176.60112.8S245 S247 R253S245-K249 WeakPolarHBondContact O-CD 3.42Å; S245-K249 WeakPolarHBondContact O-CG 3.37Å; S247-K249 VanDerWaalsContact C-N 3.32Å; S247-K249 PolarHBondContact O-N 2.78Å; K249-R253 PolarHBondContact O-N 2.91Å
250K62.3Low71.6Confident161 Ų161118.4 Ų118.470%0.761%0.607SS**Hα-helixtrans-71.6-39.3174.3-169.7148.6178.3171.30111.9S246 S247 R253 E254S246-K250 WeakPolarHBondContact O-CB 3.32Å; S246-K250 PolarHBondContact O-N 3.39Å; S246-K250 VanDerWaalsContact O-N 3.15Å; S247-K250 PolarHBondContact O-N 3.18Å; K250-R253 PolarHBondContact O-N 3.17Å; K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.21Å
251S80.7Confident73.9Confident73 Ų73116 Ų11651%0.5160%0.598SS.*Hα-helixtrans-66.3-40.4174.8173.10000113.1S247 E254 R255S247-S251 PolarHBondContact O-N 2.9Å; S251-E254 PolarHBondContact O-N 3.01Å; S251-R255 WeakPolarHBondContact O-CB 3.23Å; S251-R255 PolarHBondContact O-N 2.68Å
252R88.3Confident76.2Confident171 Ų171117 Ų11765%0.64559%0.588SS**Hα-helixtrans-60.8-47.6175.1-175.4176.4-171.5-97.713.1111.6A248 E254 R255 E256A248-R252 WeakPolarHBondContact O-CB 3.48Å; A248-R252 PolarHBondContact O-N 2.98Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 2.92Å; R252-R255 PolarHBondContact O-N 3.43Å; R252-E256 WeakPolarHBondContact CG-OE1 3.18Å; R252-E256 IonicContact CZ-OE1 3.13Å; R252-E256 IonicContact NE-OE1 3.49Å; R252-E256 PolarHBondContact NE-OE1 3.01Å; R252-E256 IonicContact NH1-OE1 2.74Å; R252-E256 PolarHBondContact NH1-OE1 3.08Å; R252-E256 IonicContact NH2-OE1 3.86Å; R252-E256 VanDerWaalsContact O-CG 3.31Å; R252-E256 WeakPolarHBondContact O-CG 3.37Å; R252-E256 PolarHBondContact O-N 2.88Å
253R89.4Confident78.3Confident171 Ų171116.1 Ų116.165%0.64558%0.579SS**Hα-helixtrans-66-32.3178.6-173.3177.5178.4-177.31.4113.1K249 K250 Q257K249-R253 PolarHBondContact O-N 2.91Å; K250-R253 PolarHBondContact O-N 3.17Å; R253-Q257 WeakPolarHBondContact O-CG 3.25Å; R253-Q257 PolarHBondContact O-N 3.21Å; R253-Q257 VanDerWaalsContact O-N 3.15Å; R253-Q257 PolarHBondContact O-NE2 3.42Å
254E90.6Very high80.5Confident129 Ų129116.7 Ų116.760%0.60357%0.57SS**Hα-helixtrans-70.3-43.9174.9-178.4174.3-166.700111.5K250 S251 R252 E256 Q257 E258K250-E254 WeakPolarHBondContact O-CB 3.42Å; K250-E254 PolarHBondContact O-N 3.21Å; S251-E254 PolarHBondContact O-N 3.01Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 2.92Å; E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.14Å; E254-Q257 PolarHBondContact O-N 2.95Å; E254-E258 PolarHBondContact O-N 2.87Å
255R91.9Very high83Confident190 Ų190118 Ų11872%0.71757%0.568SS**Hα-helixtrans-62.9-38.6174.3-175.2179.7179.7179.4-0.5112.4S251 R252 E258 N259S251-R255 WeakPolarHBondContact O-CB 3.23Å; S251-R255 PolarHBondContact O-N 2.68Å; R252-R255 PolarHBondContact O-N 3.43Å; R255-E258 PolarHBondContact O-N 3.43Å; R255-N259 WeakPolarHBondContact O-CB 3.4Å; R255-N259 PolarHBondContact O-N 3.43Å
256E92.9Very high85.3Confident76 Ų76118.4 Ų118.436%0.35556%0.563SS.*Hα-helixtrans-62.3-45.8174.3-74.9164.6-17400110.9R252 E254 E258 N259 E260R252-E256 WeakPolarHBondContact CG-OE1 3.18Å; R252-E256 IonicContact CZ-OE1 3.13Å; R252-E256 IonicContact NE-OE1 3.49Å; R252-E256 PolarHBondContact NE-OE1 3.01Å; R252-E256 IonicContact NH1-OE1 2.74Å; R252-E256 PolarHBondContact NH1-OE1 3.08Å; R252-E256 IonicContact NH2-OE1 3.86Å; R252-E256 VanDerWaalsContact O-CG 3.31Å; R252-E256 WeakPolarHBondContact O-CG 3.37Å; R252-E256 PolarHBondContact O-N 2.88Å; E254-E256 VanDerWaalsContact C-N 3.33Å; E254-E256 PolarHBondContact O-N 3.14Å; E256-E258 PolarHBondContact O-N 3.42Å; E256-N259 WeakPolarHBondContact O-CB 3.47Å; E256-N259 PolarHBondContact O-N 2.72Å; E256-E260 WeakPolarHBondContact O-CG 3.49Å; E256-E260 PolarHBondContact O-N 3.21Å
257Q96.1Very high87.5Confident82 Ų82117.7 Ų117.738%0.38356%0.555SS.*Hα-helixtrans-64.9-37.6175.6-77.1172.358.800113.3R253 E254 N259 E260 R261R253-Q257 WeakPolarHBondContact O-CG 3.25Å; R253-Q257 PolarHBondContact O-N 3.21Å; R253-Q257 VanDerWaalsContact O-N 3.15Å; R253-Q257 PolarHBondContact O-NE2 3.42Å; E254-Q257 PolarHBondContact O-N 2.95Å; Q257-N259 VanDerWaalsContact C-N 3.32Å; Q257-E260 PolarHBondContact O-N 2.85Å; Q257-R261 VanDerWaalsContact O-CG 3.27Å; Q257-R261 WeakPolarHBondContact O-CG 3.43Å; Q257-R261 PolarHBondContact O-N 2.93Å
258E95.8Very high89.7Confident132 Ų132117.3 Ų117.362%0.61755%0.547SS*.Hα-helixtrans-64.3-40.3173.5-174.6-177.4-173.900111.2E254 R255 E256 R261 K262E254-E258 PolarHBondContact O-N 2.87Å; R255-E258 PolarHBondContact O-N 3.43Å; E256-E258 PolarHBondContact O-N 3.42Å; E258-R261 PolarHBondContact O-N 2.89Å; E258-K262 WeakPolarHBondContact O-CB 3.31Å; E258-K262 PolarHBondContact O-N 3.25Å
259N96.6Very high91.7Very high98 Ų98118 Ų11852%0.52454%0.54SS..Hα-helixtrans-63.1-46.7175.5-165-14.4000111R255 E256 Q257 R261 K262 V263R255-N259 WeakPolarHBondContact O-CB 3.4Å; R255-N259 PolarHBondContact O-N 3.43Å; E256-N259 WeakPolarHBondContact O-CB 3.47Å; E256-N259 PolarHBondContact O-N 2.72Å; Q257-N259 VanDerWaalsContact C-N 3.32Å; N259-R261 VanDerWaalsContact C-N 3.31Å; N259-R261 PolarHBondContact O-N 2.91Å; N259-K262 CarbonylContact O-C 3.59Å; N259-K262 WeakPolarHBondContact O-CB 3.24Å; N259-K262 PolarHBondContact O-N 2.64Å; N259-K262 VanDerWaalsContact O-N 3.08Å; N259-V263 WeakPolarHBondContact O-CG2 3.39Å; N259-V263 PolarHBondContact O-N 3.49Å
260E97.6Very high93.7Very high134 Ų134115 Ų11563%0.62653%0.531SS*.Hα-helixtrans-56.7-44174.4-73173.3-176.100112E256 Q257 K262 V263 Q264E256-E260 WeakPolarHBondContact O-CG 3.49Å; E256-E260 PolarHBondContact O-N 3.21Å; Q257-E260 PolarHBondContact O-N 2.85Å; E260-K262 VanDerWaalsContact C-N 3.34Å; E260-K262 PolarHBondContact O-N 3.23Å; E260-V263 PolarHBondContact O-N 2.91Å; E260-Q264 PolarHBondContact O-N 3.33Å
261R97.8Very high95.4Very high181 Ų181113.8 Ų113.868%0.68353%0.528SS*.Hα-helixtrans-61.5-42.4174.7-72.8173.6-174.3-144.71.8112.1Q257 E258 N259 Q264 E265Q257-R261 VanDerWaalsContact O-CG 3.27Å; Q257-R261 WeakPolarHBondContact O-CG 3.43Å; Q257-R261 PolarHBondContact O-N 2.93Å; E258-R261 PolarHBondContact O-N 2.89Å; N259-R261 VanDerWaalsContact C-N 3.31Å; N259-R261 PolarHBondContact O-N 2.91Å; R261-Q264 PolarHBondContact O-N 3.31Å; R261-E265 WeakPolarHBondContact O-CB 3.21Å; R261-E265 PolarHBondContact O-N 3.25Å
262K98.3Very high96.3Very high128 Ų128118.3 Ų118.356%0.55753%0.533SS*.Hα-helixtrans-67-38.9178.6-171.9172.7-176.4174.90111.8E258 N259 E260 Q264 E265 L266E258-K262 WeakPolarHBondContact O-CB 3.31Å; E258-K262 PolarHBondContact O-N 3.25Å; N259-K262 CarbonylContact O-C 3.59Å; N259-K262 WeakPolarHBondContact O-CB 3.24Å; N259-K262 PolarHBondContact O-N 2.64Å; N259-K262 VanDerWaalsContact O-N 3.08Å; E260-K262 VanDerWaalsContact C-N 3.34Å; E260-K262 PolarHBondContact O-N 3.23Å; K262-Q264 VanDerWaalsContact C-N 3.33Å; K262-E265 PolarHBondContact O-N 3.33Å; K262-L266 HydrophobicContact CG-CD1 4.15Å; K262-L266 HydrophobicContact CG-CG 4.45Å; K262-L266 WeakPolarHBondContact O-CB 3.19Å; K262-L266 VanDerWaalsContact O-CG 3.26Å; K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 3.09Å
263V98.7Very high96.8Very high78 Ų78115 Ų11547%0.47353%0.528SS..Hα-helixtrans-61.4-45.1173.3169.50000110N259 E260 L266 T267N259-V263 WeakPolarHBondContact O-CG2 3.39Å; N259-V263 PolarHBondContact O-N 3.49Å; E260-V263 PolarHBondContact O-N 2.91Å; V263-L266 PolarHBondContact O-N 3.43Å; V263-T267 WeakPolarHBondContact O-CB 3.31Å; V263-T267 PolarHBondContact O-N 3.41Å; V263-T267 PolarHBondContact O-OG1 3.5Å
264Q98.6Very high97.2Very high110 Ų110113.4 Ų113.451%0.51453%0.526SS..Hα-helixtrans-62-48176.2-171.561.450.200111.6E260 R261 K262 L266 T267 D268E260-Q264 PolarHBondContact O-N 3.33Å; R261-Q264 PolarHBondContact O-N 3.31Å; K262-Q264 VanDerWaalsContact C-N 3.33Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 PolarHBondContact O-N 3.05Å; Q264-T267 WeakPolarHBondContact O-CA 3.49Å; Q264-T267 WeakPolarHBondContact O-CB 3.31Å; Q264-T267 PolarHBondContact O-N 3.29Å; Q264-D268 PolarHBondContact NE2-OD1 3.44Å; Q264-D268 PolarHBondContact O-N 3.02Å
265E98.4Very high97.6Very high111 Ų111110.2 Ų110.252%0.51952%0.521SS..Hα-helixtrans-59.7-44.4178.6-177.9178.7-176.500112R261 K262 T267 D268 Q269R261-E265 WeakPolarHBondContact O-CB 3.21Å; R261-E265 PolarHBondContact O-N 3.25Å; K262-E265 PolarHBondContact O-N 3.33Å; E265-T267 VanDerWaalsContact C-N 3.26Å; E265-T267 PolarHBondContact O-N 3.25Å; E265-D268 PolarHBondContact O-N 3.16Å; E265-Q269 WeakPolarHBondContact O-CB 3.49Å; E265-Q269 WeakPolarHBondContact O-CG 3.36Å; E265-Q269 PolarHBondContact O-N 2.88Å
266L98.8Very high98Very high79 Ų79104.8 Ų104.841%0.41450%0.504SS..Hα-helixtrans-65.5-31.4175.8-73.4173.5000112.1K262 V263 Q264 N270K262-L266 HydrophobicContact CG-CD1 4.15Å; K262-L266 HydrophobicContact CG-CG 4.45Å; K262-L266 WeakPolarHBondContact O-CB 3.19Å; K262-L266 VanDerWaalsContact O-CG 3.26Å; K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 3.09Å; V263-L266 PolarHBondContact O-N 3.43Å; Q264-L266 VanDerWaalsContact C-N 3.34Å; Q264-L266 PolarHBondContact O-N 3.05Å; L266-N270 VanDerWaalsContact O-CB 3.31Å; L266-N270 WeakPolarHBondContact O-CB 3.26Å; L266-N270 PolarHBondContact O-N 2.71Å; L266-N270 PolarHBondContact O-ND2 3.2Å
267T98.7Very high98.2Very high71 Ų71106.6 Ų106.644%0.43652%0.515SS..Hα-helixtrans-66.5-48.9175.4-59.80000110.2V263 Q264 E265 Q269 N270 E271V263-T267 WeakPolarHBondContact O-CB 3.31Å; V263-T267 PolarHBondContact O-N 3.41Å; V263-T267 PolarHBondContact O-OG1 3.5Å; Q264-T267 WeakPolarHBondContact O-CA 3.49Å; Q264-T267 WeakPolarHBondContact O-CB 3.31Å; Q264-T267 PolarHBondContact O-N 3.29Å; E265-T267 VanDerWaalsContact C-N 3.26Å; E265-T267 PolarHBondContact O-N 3.25Å; T267-Q269 VanDerWaalsContact C-N 3.33Å; T267-Q269 PolarHBondContact O-N 3.34Å; T267-N270 PolarHBondContact O-N 2.9Å; T267-E271 PolarHBondContact O-N 3.28Å
268D98.7Very high98.4Very high70 Ų70107.8 Ų107.837%0.37452%0.524SS..Hα-helixtrans-63.5-39.3178.2-61.7-3.5000111.6Q264 E265 E271 R272Q264-D268 PolarHBondContact NE2-OD1 3.44Å; Q264-D268 PolarHBondContact O-N 3.02Å; E265-D268 PolarHBondContact O-N 3.16Å; D268-E271 PolarHBondContact O-N 2.93Å; D268-R272 WeakPolarHBondContact O-CB 3.33Å; D268-R272 PolarHBondContact O-N 2.95Å
269Q98.8Very high98.5Very high80 Ų80107.5 Ų107.537%0.37452%0.518SS..Hα-helixtrans-65.1-42.6174.5-74.9-174.41.300111.9E265 T267 R272 L273E265-Q269 WeakPolarHBondContact O-CB 3.49Å; E265-Q269 WeakPolarHBondContact O-CG 3.36Å; E265-Q269 PolarHBondContact O-N 2.88Å; T267-Q269 VanDerWaalsContact C-N 3.33Å; T267-Q269 PolarHBondContact O-N 3.34Å; Q269-R272 PolarHBondContact O-N 3.4Å; Q269-L273 WeakPolarHBondContact O-CB 3.38Å; Q269-L273 WeakPolarHBondContact O-CG 3.35Å; Q269-L273 PolarHBondContact O-N 3.36Å
270N98.8Very high98.6Very high89 Ų89106.8 Ų106.848%0.47651%0.513SS..Hα-helixtrans-63.4-42.2176.3-89.5-60.2000111.8L266 T267 R272 L273 K274L266-N270 VanDerWaalsContact O-CB 3.31Å; L266-N270 WeakPolarHBondContact O-CB 3.26Å; L266-N270 PolarHBondContact O-N 2.71Å; L266-N270 PolarHBondContact O-ND2 3.2Å; T267-N270 PolarHBondContact O-N 2.9Å; N270-R272 VanDerWaalsContact C-N 3.33Å; N270-R272 PolarHBondContact O-N 3.41Å; N270-L273 PolarHBondContact O-N 3.42Å; N270-K274 VanDerWaalsContact O-CG 3.29Å; N270-K274 WeakPolarHBondContact O-CG 3.41Å; N270-K274 PolarHBondContact O-N 3.05Å
271E98.8Very high98.7Very high136 Ų136101.9 Ų101.964%0.63650%0.499SS*.Hα-helixtrans-58.9-47.4174.8-170.6-165.8160.300110.9T267 D268 L273 K274 A275T267-E271 PolarHBondContact O-N 3.28Å; D268-E271 PolarHBondContact O-N 2.93Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 2.91Å; E271-K274 WeakPolarHBondContact O-CB 3.48Å; E271-K274 PolarHBondContact O-N 3.42Å; E271-A275 PolarHBondContact O-N 3.03Å
272R98.8Very high98.7Very high168 Ų16898.8 Ų98.863%0.63449%0.492SS*.Hα-helixtrans-59.9-43.7177.4-170.7-176.5-64115.23112.2D268 Q269 N270 A275 E276D268-R272 WeakPolarHBondContact O-CB 3.33Å; D268-R272 PolarHBondContact O-N 2.95Å; Q269-R272 PolarHBondContact O-N 3.4Å; N270-R272 VanDerWaalsContact C-N 3.33Å; N270-R272 PolarHBondContact O-N 3.41Å; R272-A275 PolarHBondContact O-N 3.49Å; R272-E276 PolarHBondContact O-N 2.92Å; R272-E276 VanDerWaalsContact O-N 3.09Å
273L98.9Very high98.7Very high103 Ų10396.5 Ų96.554%0.53948%0.483SS..Hα-helixtrans-66.3-38.6178.3-74172.7000112Q269 N270 E271 E276 I277Q269-L273 WeakPolarHBondContact O-CB 3.38Å; Q269-L273 WeakPolarHBondContact O-CG 3.35Å; Q269-L273 PolarHBondContact O-N 3.36Å; N270-L273 PolarHBondContact O-N 3.42Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 2.91Å; L273-E276 PolarHBondContact O-N 3.2Å; L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.45Å; L273-I277 PolarHBondContact O-N 3.43Å
274K98.8Very high98.8Very high137 Ų13797.7 Ų97.760%0.59649%0.49SS*.Hα-helixtrans-59.1-48.8174.1-75.6172.6177.9-178.30111.2N270 E271 E276 I277 D278N270-K274 VanDerWaalsContact O-CG 3.29Å; N270-K274 WeakPolarHBondContact O-CG 3.41Å; N270-K274 PolarHBondContact O-N 3.05Å; E271-K274 WeakPolarHBondContact O-CB 3.48Å; E271-K274 PolarHBondContact O-N 3.42Å; K274-E276 VanDerWaalsContact C-N 3.27Å; K274-E276 PolarHBondContact O-N 2.93Å; K274-I277 PolarHBondContact O-N 3.36Å; K274-D278 PolarHBondContact O-N 3.47Å
275A98.8Very high98.8Very high61 Ų6197.4 Ų97.450%0.50449%0.489SS..Hα-helixtrans-59.4-38.2177.100000112.5E271 R272 R279E271-A275 PolarHBondContact O-N 3.03Å; R272-A275 PolarHBondContact O-N 3.49Å; A275-R279 WeakPolarHBondContact O-CB 3.48Å; A275-R279 PolarHBondContact O-N 3.08Å
276E98.8Very high98.8Very high77 Ų7797.5 Ų97.536%0.3649%0.485SS..Hα-helixtrans-69.8-39.5177.1-176.959.7-165.300112.5R272 L273 K274 D278 R279 L280R272-E276 PolarHBondContact O-N 2.92Å; R272-E276 VanDerWaalsContact O-N 3.09Å; L273-E276 PolarHBondContact O-N 3.2Å; K274-E276 VanDerWaalsContact C-N 3.27Å; K274-E276 PolarHBondContact O-N 2.93Å; E276-D278 VanDerWaalsContact C-N 3.34Å; E276-R279 PolarHBondContact O-N 3.47Å; E276-R279 IonicContact OE1-CZ 3.62Å; E276-R279 IonicContact OE1-NE 3.14Å; E276-R279 PolarHBondContact OE1-NE 3.46Å; E276-R279 IonicContact OE1-NH2 2.88Å; E276-R279 PolarHBondContact OE1-NH2 2.94Å; E276-R279 IonicContact OE2-CZ 2.81Å; E276-R279 IonicContact OE2-NE 3.47Å; E276-R279 PolarHBondContact OE2-NE 2.97Å; E276-R279 IonicContact OE2-NH2 3.85Å; E276-L280 HydrophobicContact CG-CD1 4.12Å; E276-L280 HydrophobicContact CG-CG 4.49Å; E276-L280 WeakPolarHBondContact O-CB 3.35Å; E276-L280 VanDerWaalsContact O-CG 3.31Å; E276-L280 WeakPolarHBondContact O-CG 3.47Å; E276-L280 PolarHBondContact O-N 2.91Å
277I98.8Very high98.8Very high114 Ų11497 Ų9759%0.58549%0.485SS*.Hα-helixtrans-60.5-46174.2-71.6165.7000110.2L273 K274 L280 G281L273-I277 VanDerWaalsContact O-CG1 3.31Å; L273-I277 WeakPolarHBondContact O-CG1 3.45Å; L273-I277 PolarHBondContact O-N 3.43Å; K274-I277 PolarHBondContact O-N 3.36Å; I277-L280 PolarHBondContact O-N 2.98Å; I277-G281 PolarHBondContact O-N 3.33Å
278D98.8Very high98.8Very high107 Ų107101.7 Ų101.757%0.57250%0.495SS*.Hα-helixtrans-63-46.6179.4-68.8-24.1000110.9K274 E276 L280 G281 E282K274-D278 PolarHBondContact O-N 3.47Å; E276-D278 VanDerWaalsContact C-N 3.34Å; D278-L280 PolarHBondContact O-N 3.31Å; D278-G281 PolarHBondContact O-N 2.89Å; D278-E282 PolarHBondContact O-N 2.74Å
279R98.8Very high98.8Very high126 Ų126105 Ų10548%0.47550%0.502SS..Hα-helixtrans-58-46.3176.5-170.6-165.673.779.10.9112.3A275 E276 E283A275-R279 WeakPolarHBondContact O-CB 3.48Å; A275-R279 PolarHBondContact O-N 3.08Å; E276-R279 PolarHBondContact O-N 3.47Å; E276-R279 IonicContact OE1-CZ 3.62Å; E276-R279 IonicContact OE1-NE 3.14Å; E276-R279 PolarHBondContact OE1-NE 3.46Å; E276-R279 IonicContact OE1-NH2 2.88Å; E276-R279 PolarHBondContact OE1-NH2 2.94Å; E276-R279 IonicContact OE2-CZ 2.81Å; E276-R279 IonicContact OE2-NE 3.47Å; E276-R279 PolarHBondContact OE2-NE 2.97Å; E276-R279 IonicContact OE2-NH2 3.85Å; R279-E283 PolarHBondContact O-N 2.81Å
280L98.9Very high98.7Very high83 Ų83103.2 Ų103.244%0.43550%0.501SS..Hα-helixtrans-68.3-37.5176.9-72.3174.7000111.7E276 I277 D278 E282 E283 V284E276-L280 HydrophobicContact CG-CD1 4.12Å; E276-L280 HydrophobicContact CG-CG 4.49Å; E276-L280 WeakPolarHBondContact O-CB 3.35Å; E276-L280 VanDerWaalsContact O-CG 3.31Å; E276-L280 WeakPolarHBondContact O-CG 3.47Å; E276-L280 PolarHBondContact O-N 2.91Å; I277-L280 PolarHBondContact O-N 2.98Å; D278-L280 PolarHBondContact O-N 3.31Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-E282 PolarHBondContact O-N 3.35Å; L280-E283 WeakPolarHBondContact O-CB 3.37Å; L280-E283 PolarHBondContact O-N 3.46Å; L280-E283 VanDerWaalsContact O-N 3.16Å; L280-V284 WeakPolarHBondContact O-CG2 3.42Å; L280-V284 PolarHBondContact O-N 2.89Å
281G98.8Very high98.7Very high31 Ų31102.8 Ų102.832%0.3250%0.499SS..Hα-helixtrans-58.6-45.8174.900000111.7I277 D278 E283 V284 Q285I277-G281 PolarHBondContact O-N 3.33Å; D278-G281 PolarHBondContact O-N 2.89Å; G281-E283 VanDerWaalsContact C-N 3.32Å; G281-E283 PolarHBondContact O-N 2.88Å; G281-V284 PolarHBondContact O-N 2.88Å; G281-Q285 VanDerWaalsContact O-CG 3.3Å; G281-Q285 WeakPolarHBondContact O-CG 3.44Å; G281-Q285 PolarHBondContact O-N 3.33Å
282E98.7Very high98.7Very high115 Ų115100.3 Ų100.354%0.53749%0.489SS..Hα-helixtrans-60.9-39.8174.1-72.6-174-176.300112.6D278 L280 Q285 R286D278-E282 PolarHBondContact O-N 2.74Å; L280-E282 VanDerWaalsContact C-N 3.34Å; L280-E282 PolarHBondContact O-N 3.35Å; E282-Q285 PolarHBondContact O-N 3.28Å; E282-R286 VanDerWaalsContact O-CB 3.32Å; E282-R286 WeakPolarHBondContact O-CB 3.4Å; E282-R286 PolarHBondContact O-N 3.32Å
283E98.7Very high98.6Very high80 Ų8098.1 Ų98.137%0.37449%0.486SS..Hα-helixtrans-65.7-44.1178.4-168.765.2-91.400112.4R279 L280 G281 Q285 R286 T287R279-E283 PolarHBondContact O-N 2.81Å; L280-E283 WeakPolarHBondContact O-CB 3.37Å; L280-E283 PolarHBondContact O-N 3.46Å; L280-E283 VanDerWaalsContact O-N 3.16Å; G281-E283 VanDerWaalsContact C-N 3.32Å; G281-E283 PolarHBondContact O-N 2.88Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.48Å; E283-R286 PolarHBondContact O-N 3.43Å; E283-R286 IonicContact OE1-CZ 3.68Å; E283-R286 IonicContact OE1-NH1 3.43Å; E283-R286 PolarHBondContact OE1-NH1 3.45Å; E283-R286 IonicContact OE2-NH1 2.68Å; E283-R286 PolarHBondContact OE2-NH1 3.25Å; E283-R286 VanDerWaalsContact OE2-NH1 3.14Å; E283-T287 WeakPolarHBondContact O-CB 3.45Å; E283-T287 PolarHBondContact O-N 3.49Å; E283-T287 PolarHBondContact O-OG1 3.32Å
284V98.9Very high98.5Very high103 Ų10399.6 Ų99.662%0.62448%0.484SS*.Hα-helixtrans-60.8-45.1174.6170.70000110.1L280 G281 R286 T287 R288L280-V284 WeakPolarHBondContact O-CG2 3.42Å; L280-V284 PolarHBondContact O-N 2.89Å; G281-V284 PolarHBondContact O-N 2.88Å; V284-R286 PolarHBondContact O-N 3.15Å; V284-T287 PolarHBondContact O-N 2.99Å; V284-R288 WeakPolarHBondContact O-CB 3.48Å; V284-R288 PolarHBondContact O-N 3.26Å
285Q98.7Very high98.4Very high105 Ų10598.5 Ų98.549%0.49148%0.484SS..Hα-helixtrans-64.3-40.3177.2-71.1-178.517.100112.5G281 E282 E283 R288 R289G281-Q285 VanDerWaalsContact O-CG 3.3Å; G281-Q285 WeakPolarHBondContact O-CG 3.44Å; G281-Q285 PolarHBondContact O-N 3.33Å; E282-Q285 PolarHBondContact O-N 3.28Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-Q285 PolarHBondContact O-N 3.48Å; Q285-R288 PolarHBondContact O-N 2.95Å; Q285-R289 WeakPolarHBondContact O-CG 3.33Å; Q285-R289 PolarHBondContact O-N 2.93Å
286R98.8Very high98.3Very high112 Ų11299.4 Ų99.442%0.42348%0.483SS..Hα-helixtrans-59.6-48.2175.5-174.8-176.1-64103.64110.7E282 E283 V284 R289 A290E282-R286 VanDerWaalsContact O-CB 3.32Å; E282-R286 WeakPolarHBondContact O-CB 3.4Å; E282-R286 PolarHBondContact O-N 3.32Å; E283-R286 PolarHBondContact O-N 3.43Å; E283-R286 IonicContact OE1-CZ 3.68Å; E283-R286 IonicContact OE1-NH1 3.43Å; E283-R286 PolarHBondContact OE1-NH1 3.45Å; E283-R286 IonicContact OE2-NH1 2.68Å; E283-R286 PolarHBondContact OE2-NH1 3.25Å; E283-R286 VanDerWaalsContact OE2-NH1 3.14Å; V284-R286 PolarHBondContact O-N 3.15Å; R286-R289 PolarHBondContact O-N 3.34Å; R286-A290 PolarHBondContact O-N 3.36Å
287T98.7Very high97.9Very high70 Ų7099.8 Ų99.843%0.42949%0.488SS..Hα-helixtrans-61.1-46.7176.8-590000111.1E283 V284 R289 A290 L291E283-T287 WeakPolarHBondContact O-CB 3.45Å; E283-T287 PolarHBondContact O-N 3.49Å; E283-T287 PolarHBondContact O-OG1 3.32Å; V284-T287 PolarHBondContact O-N 2.99Å; T287-R289 VanDerWaalsContact C-N 3.35Å; T287-R289 PolarHBondContact O-N 3Å; T287-A290 PolarHBondContact O-N 2.93Å; T287-L291 HydrophobicContact CG2-CD1 4.25Å; T287-L291 HydrophobicContact CG2-CG 4.39Å; T287-L291 VanDerWaalsContact O-CG 3.31Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.48Å
288R98.8Very high97.2Very high169 Ų16999.2 Ų99.264%0.63849%0.49SS*.Hα-helixtrans-56.2-47.6176.2-178.4-177.5174.7-149.4-0.7111.5V284 Q285 L291 I292V284-R288 WeakPolarHBondContact O-CB 3.48Å; V284-R288 PolarHBondContact O-N 3.26Å; Q285-R288 PolarHBondContact O-N 2.95Å; R288-L291 PolarHBondContact O-N 3.29Å; R288-I292 HydrophobicContact CG-CD1 4Å; R288-I292 VanDerWaalsContact O-CG1 3.32Å; R288-I292 WeakPolarHBondContact O-CG1 3.38Å; R288-I292 PolarHBondContact O-N 3.16Å
289R98.6Very high96Very high138 Ų138103.2 Ų103.252%0.52150%0.502SS..Hα-helixtrans-59.9-46.8177.2-74.2-172.5-65-95.81.1111.7Q285 R286 T287 L291 I292 E293Q285-R289 WeakPolarHBondContact O-CG 3.33Å; Q285-R289 PolarHBondContact O-N 2.93Å; R286-R289 PolarHBondContact O-N 3.34Å; T287-R289 VanDerWaalsContact C-N 3.35Å; T287-R289 PolarHBondContact O-N 3Å; R289-L291 VanDerWaalsContact C-N 3.33Å; R289-L291 PolarHBondContact O-N 3.14Å; R289-I292 PolarHBondContact O-N 3.34Å; R289-E293 WeakPolarHBondContact O-CB 3.31Å; R289-E293 PolarHBondContact O-N 3.5Å
290A98.3Very high94Very high43 Ų43107.9 Ų107.936%0.35553%0.526SS..Hα-helixtrans-63.6-37178.900000112.9R286 T287 R294R286-A290 PolarHBondContact O-N 3.36Å; T287-A290 PolarHBondContact O-N 2.93Å; A290-R294 WeakPolarHBondContact O-CB 3.48Å; A290-R294 PolarHBondContact O-N 3.21Å; A290-R294 VanDerWaalsContact O-N 3.16Å
291L98.4Very high93.7Very high81 Ų81109.1 Ų109.142%0.42453%0.53SS..Hα-helixtrans-64.4-46.7173.7-69.3174.4000111.3T287 R288 R289 R294 L295T287-L291 HydrophobicContact CG2-CD1 4.25Å; T287-L291 HydrophobicContact CG2-CG 4.39Å; T287-L291 VanDerWaalsContact O-CG 3.31Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.48Å; R288-L291 PolarHBondContact O-N 3.29Å; R289-L291 VanDerWaalsContact C-N 3.33Å; R289-L291 PolarHBondContact O-N 3.14Å; L291-R294 PolarHBondContact O-N 2.9Å; L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 2.85Å; L291-L295 VanDerWaalsContact O-N 3.07Å
292I97.9Very high93.4Very high84 Ų84113.2 Ų113.243%0.43154%0.541SS..Hα-helixtrans-59.9-49.3177.9-68.6166.6000110.3R288 R289 R294 L295 V296R288-I292 HydrophobicContact CG-CD1 4Å; R288-I292 VanDerWaalsContact O-CG1 3.32Å; R288-I292 WeakPolarHBondContact O-CG1 3.38Å; R288-I292 PolarHBondContact O-N 3.16Å; R289-I292 PolarHBondContact O-N 3.34Å; I292-R294 VanDerWaalsContact C-N 3.3Å; I292-R294 PolarHBondContact O-N 3.41Å; I292-L295 PolarHBondContact O-N 2.8Å; I292-L295 VanDerWaalsContact O-N 3.14Å; I292-V296 HydrophobicContact CG2-CG2 4.16Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.34Å; I292-V296 PolarHBondContact O-N 3.25Å
293E97.2Very high93.2Very high122 Ų122113.1 Ų113.157%0.5754%0.541SS*.Hα-helixtrans-56.2-44.7179.7-179.4177-163.800111.8R289 L295 V296 N297R289-E293 WeakPolarHBondContact O-CB 3.31Å; R289-E293 PolarHBondContact O-N 3.5Å; E293-L295 PolarHBondContact O-N 3.12Å; E293-V296 PolarHBondContact O-N 3.42Å; E293-N297 WeakPolarHBondContact CG-ND2 3.21Å; E293-N297 WeakPolarHBondContact O-CB 3.27Å; E293-N297 PolarHBondContact O-N 3.32Å; E293-N297 PolarHBondContact O-ND2 3.17Å
294R97Very high92.8Very high133 Ų133115.1 Ų115.150%0.50255%0.551SS.*Hα-helixtrans-63.7-41.6177.3-162.1-172.4-4096.710.6112.6A290 L291 I292 V296 T298A290-R294 WeakPolarHBondContact O-CB 3.48Å; A290-R294 PolarHBondContact O-N 3.21Å; A290-R294 VanDerWaalsContact O-N 3.16Å; L291-R294 PolarHBondContact O-N 2.9Å; I292-R294 VanDerWaalsContact C-N 3.3Å; I292-R294 PolarHBondContact O-N 3.41Å; R294-V296 VanDerWaalsContact C-N 3.32Å; R294-T298 WeakPolarHBondContact O-CB 3.16Å; R294-T298 VanDerWaalsContact O-CG2 3.26Å; R294-T298 WeakPolarHBondContact O-CG2 3.48Å; R294-T298 PolarHBondContact O-N 2.98Å; R294-T298 PolarHBondContact O-OG1 2.78Å
295L96.9Very high92.4Very high115 Ų115115.8 Ų115.860%0.60255%0.547SS*.Hα-helixtrans-67.7-33.8177.7-73.3170.5000112.3L291 I292 E293 T298L291-L295 WeakPolarHBondContact O-CG 3.4Å; L291-L295 PolarHBondContact O-N 2.85Å; L291-L295 VanDerWaalsContact O-N 3.07Å; I292-L295 PolarHBondContact O-N 2.8Å; I292-L295 VanDerWaalsContact O-N 3.14Å; E293-L295 PolarHBondContact O-N 3.12Å; L295-T298 PolarHBondContact O-OG1 3.15Å
296V95.4Very high92Very high80 Ų80116.5 Ų116.549%0.48555%0.551SS.*Hα-helixtrans-74.9-41.5177.6171.10000111I292 E293 R294 T298 K299I292-V296 HydrophobicContact CG2-CG2 4.16Å; I292-V296 VanDerWaalsContact O-CG2 3.31Å; I292-V296 WeakPolarHBondContact O-CG2 3.34Å; I292-V296 PolarHBondContact O-N 3.25Å; E293-V296 PolarHBondContact O-N 3.42Å; R294-V296 VanDerWaalsContact C-N 3.32Å; V296-T298 VanDerWaalsContact C-N 3.3Å; V296-T298 PolarHBondContact O-N 3.11Å; V296-K299 PolarHBondContact O-N 2.66Å
297N89.9Confident91.6Very high85 Ų85116.9 Ų116.946%0.45556%0.56SS.*Hα-helixtrans-72.3-20.6-178.9-70.8-20.2000113.7E293E293-N297 WeakPolarHBondContact CG-ND2 3.21Å; E293-N297 WeakPolarHBondContact O-CB 3.27Å; E293-N297 PolarHBondContact O-N 3.32Å; E293-N297 PolarHBondContact O-ND2 3.17Å
298T86Confident91Very high101 Ų101120.5 Ų120.562%0.6257%0.57SS**THydrogen-bonded Turntrans-86.4-6.4177.846.30000114.1R294 L295 V296R294-T298 WeakPolarHBondContact O-CB 3.16Å; R294-T298 VanDerWaalsContact O-CG2 3.26Å; R294-T298 WeakPolarHBondContact O-CG2 3.48Å; R294-T298 PolarHBondContact O-N 2.98Å; R294-T298 PolarHBondContact O-OG1 2.78Å; L295-T298 PolarHBondContact O-OG1 3.15Å; V296-T298 VanDerWaalsContact C-N 3.3Å; V296-T298 PolarHBondContact O-N 3.11Å
299K73.6Confident90.4Very high191 Ų191116.4 Ų116.483%0.8356%0.564SS**THydrogen-bonded Turntrans-978.6175.5-77.7-178.7166.1177.50113.5V296V296-K299 PolarHBondContact O-N 2.66Å
300K55.1Low89.6Confident224 Ų224114.5 Ų114.597%0.97457%0.568SS**  trans-107.90172.2-68.4-178.1178.1175.70109.3

Retrieved 300 of 300 residues in 374 ms (Link to these results)