A0A3Q0KL79_SCHMA Loading...

Huntington associated protein-1 domain,putative

AlphaFold DB , UniProt , Accession A0A3Q0KL79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,134 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
1M39.5Very low46.3Very low224 Ų224124.5 Ų124.5100%1.10369%0.687SS**  01180-70.7-175.8177.400109.6
2D31.8Very low47.4Very low127 Ų127121.3 Ų121.368%0.67968%0.678SS**  -149.3133.9-86.6-73.4-44.9000111T4D2-T4 PolarHBondContact O-N 2.84Å
3N38.4Very low49.2Very low158 Ų158120 Ų12085%0.84566%0.664SS**  trans53.213.4151.6-61-5.2000121.8
4T44.7Very low50.9Low107 Ų107116.8 Ų116.866%0.65665%0.645SS**G310 helixtrans-77.6-28.9-179.649.90000115.7D2 C6D2-T4 PolarHBondContact O-N 2.84Å; T4-C6 PolarHBondContact O-N 3.07Å
5N42.5Very low52.5Low139 Ų139114.1 Ų114.174%0.74363%0.633SS**G310 helixtrans-91.313.9-164-68.527.2000115.4
6C41.3Very low53.9Low94 Ų94113.1 Ų113.164%0.63563%0.626SS**G310 helixtrans-87.1-25.8178.7-149.70000112.8T4 Q10T4-C6 PolarHBondContact O-N 3.07Å; C6-Q10 PolarHBondContact O-N 3.19Å
7S49.7Very low55.3Low80 Ų80110.5 Ų110.556%0.55961%0.611SS**Hα-helixtrans-68.6-43.7-168.7-50.90000114.1V9 Q10 L11S7-V9 PolarHBondContact O-N 2.85Å; S7-Q10 PolarHBondContact O-N 3.07Å; S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 2.94Å
8D43.8Very low56.3Low120 Ų120112 Ų11264%0.64261%0.613SS**Hα-helixtrans-70.7-33.3-174.3-65-28.6000112.5L11 C12D8-L11 PolarHBondContact O-N 3.41Å; D8-C12 PolarHBondContact O-N 2.86Å
9V56Low57.1Low101 Ų101111.1 Ų111.161%0.61261%0.607SS**Hα-helixtrans-67.5-43.4174.8-1770000110.1S7 L11 C12 Q13S7-V9 PolarHBondContact O-N 2.85Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-C12 PolarHBondContact O-N 3.26Å; V9-Q13 WeakPolarHBondContact O-CB 3.38Å; V9-Q13 PolarHBondContact O-N 2.85Å
10Q59.3Low57.8Low110 Ų110112.3 Ų112.351%0.51461%0.608SS.*Hα-helixtrans-62.4-41.9175.1-16470.240.700111.3C6 S7 Q13 D14C6-Q10 PolarHBondContact O-N 3.19Å; S7-Q10 PolarHBondContact O-N 3.07Å; Q10-Q13 PolarHBondContact O-N 3.12Å; Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.15Å
11L62.6Low58.7Low109 Ų109111.5 Ų111.557%0.57160%0.603SS**Hα-helixtrans-66-43.6179.3-172.665.3000112.3S7 D8 V9 D14 V15S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 PolarHBondContact O-N 2.94Å; D8-L11 PolarHBondContact O-N 3.41Å; V9-L11 VanDerWaalsContact C-N 3.34Å; L11-D14 PolarHBondContact O-N 3.27Å; L11-V15 WeakPolarHBondContact O-CB 3.43Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 2.89Å
12C59Low60Low86 Ų86104.1 Ų104.158%0.58157%0.572SS**Hα-helixtrans-62-43.6172.6-76.80000111.7D8 V9 D14 V15 D16D8-C12 PolarHBondContact O-N 2.86Å; V9-C12 PolarHBondContact O-N 3.26Å; C12-D14 PolarHBondContact O-N 2.83Å; C12-V15 PolarHBondContact O-N 3.13Å; C12-D16 PolarHBondContact O-N 3.02Å
13Q71Confident61.3Low105 Ų105102.8 Ų102.849%0.49157%0.565SS.*Hα-helixtrans-63.3-41.2178.7-163.970.57500111.8V9 Q10 N17V9-Q13 WeakPolarHBondContact O-CB 3.38Å; V9-Q13 PolarHBondContact O-N 2.85Å; Q10-Q13 PolarHBondContact O-N 3.12Å; Q13-N17 VanDerWaalsContact O-CB 3.31Å; Q13-N17 WeakPolarHBondContact O-CB 3.35Å; Q13-N17 PolarHBondContact O-N 3.11Å; Q13-N17 PolarHBondContact O-ND2 3.26Å; Q13-N17 VanDerWaalsContact O-ND2 3.08Å
14D73.6Confident62.8Low75 Ų7598.3 Ų98.340%0.40154%0.543SS..Hα-helixtrans-71.5-32.9177.1-75.5-19.8000112.5Q10 L11 C12 Q18Q10-D14 WeakPolarHBondContact O-CB 3.47Å; Q10-D14 PolarHBondContact O-N 3.15Å; L11-D14 PolarHBondContact O-N 3.27Å; C12-D14 PolarHBondContact O-N 2.83Å; D14-Q18 VanDerWaalsContact O-CB 3.23Å; D14-Q18 WeakPolarHBondContact O-CB 3.42Å; D14-Q18 PolarHBondContact O-N 3.39Å
15V75Confident63.7Low76 Ų7699.3 Ų99.346%0.46154%0.54SS..Hα-helixtrans-68.4-44.2172.5167.60000111.5L11 C12 Q18 L19L11-V15 WeakPolarHBondContact O-CB 3.43Å; L11-V15 VanDerWaalsContact O-CG2 3.28Å; L11-V15 WeakPolarHBondContact O-CG2 3.28Å; L11-V15 PolarHBondContact O-N 2.89Å; C12-V15 PolarHBondContact O-N 3.13Å; V15-Q18 PolarHBondContact O-N 3.25Å; V15-L19 HydrophobicContact CG1-CD1 4.21Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.18Å
16D74.8Confident64Low99 Ų9999 Ų9953%0.52953%0.534SS..Hα-helixtrans-63.1-43.2173.8-94.6-12.1000111.3C12 Q18 L19 Q20C12-D16 PolarHBondContact O-N 3.02Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.22Å; D16-L19 PolarHBondContact O-N 3.27Å; D16-Q20 VanDerWaalsContact O-CB 3.22Å; D16-Q20 WeakPolarHBondContact O-CB 3.34Å; D16-Q20 PolarHBondContact O-N 2.86Å
17N76.6Confident64.3Low69 Ų6999.6 Ų99.637%0.36953%0.531SS..Hα-helixtrans-58-42.6173.2-73.6-28.4000111.3Q13 Q20 I21Q13-N17 VanDerWaalsContact O-CB 3.31Å; Q13-N17 WeakPolarHBondContact O-CB 3.35Å; Q13-N17 PolarHBondContact O-N 3.11Å; Q13-N17 PolarHBondContact O-ND2 3.26Å; Q13-N17 VanDerWaalsContact O-ND2 3.08Å; N17-Q20 PolarHBondContact O-N 2.71Å; N17-I21 WeakPolarHBondContact O-CB 3.37Å; N17-I21 WeakPolarHBondContact O-CD1 3.4Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.48Å; N17-I21 PolarHBondContact O-N 3.31Å
18Q74.2Confident64.2Low137 Ų137102.1 Ų102.164%0.6453%0.531SS*.Hα-helixtrans-72.7-37.7-178.5-158.1170.8119.800112.4D14 V15 D16 I21 C22D14-Q18 VanDerWaalsContact O-CB 3.23Å; D14-Q18 WeakPolarHBondContact O-CB 3.42Å; D14-Q18 PolarHBondContact O-N 3.39Å; V15-Q18 PolarHBondContact O-N 3.25Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 3.22Å; Q18-I21 PolarHBondContact O-N 3.04Å; Q18-C22 WeakPolarHBondContact O-CB 3.43Å; Q18-C22 PolarHBondContact O-N 2.86Å; Q18-C22 PolarHBondContact O-SG 2.79Å
19L71.6Confident64.1Low95 Ų95100 Ų10050%0.49753%0.526SS..Hα-helixtrans-61.9-42.4169.1-90.2163.8000111.6V15 D16 C22 L23V15-L19 HydrophobicContact CG1-CD1 4.21Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 PolarHBondContact O-N 3.18Å; D16-L19 PolarHBondContact O-N 3.27Å; L19-C22 PolarHBondContact O-N 3.41Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.98Å
20Q71.5Confident63.4Low135 Ų135100.7 Ų100.763%0.63153%0.53SS*.Hα-helixtrans-72.8-30179.9-161.1159.999.900112.3D16 N17 T24D16-Q20 VanDerWaalsContact O-CB 3.22Å; D16-Q20 WeakPolarHBondContact O-CB 3.34Å; D16-Q20 PolarHBondContact O-N 2.86Å; N17-Q20 PolarHBondContact O-N 2.71Å; Q20-T24 WeakPolarHBondContact O-CB 3.42Å; Q20-T24 VanDerWaalsContact O-CG2 3.31Å; Q20-T24 WeakPolarHBondContact O-CG2 3.49Å; Q20-T24 PolarHBondContact O-N 3.41Å; Q20-T24 PolarHBondContact O-OG1 3.05Å
21I76.8Confident62.4Low96 Ų96102.1 Ų102.149%0.49254%0.536SS..Hα-helixtrans-66.1-50.9166.4-71.9163.7000110.2N17 Q18 L23 T24 E25N17-I21 WeakPolarHBondContact O-CB 3.37Å; N17-I21 WeakPolarHBondContact O-CD1 3.4Å; N17-I21 VanDerWaalsContact O-CG1 3.23Å; N17-I21 WeakPolarHBondContact O-CG1 3.48Å; N17-I21 PolarHBondContact O-N 3.31Å; Q18-I21 PolarHBondContact O-N 3.04Å; I21-L23 PolarHBondContact O-N 3.21Å; I21-T24 CarbonylContact O-C 3.56Å; I21-T24 PolarHBondContact O-N 3.29Å; I21-T24 VanDerWaalsContact O-N 3.1Å; I21-T24 PolarHBondContact O-OG1 3.35Å; I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 2.93Å
22C65.5Low60.9Low69 Ų69101 Ų10147%0.46654%0.538SS..Hα-helixtrans-58.6-45.3178.5-67.60000112.1Q18 L19 T24 E25 E26Q18-C22 WeakPolarHBondContact O-CB 3.43Å; Q18-C22 PolarHBondContact O-N 2.86Å; Q18-C22 PolarHBondContact O-SG 2.79Å; L19-C22 PolarHBondContact O-N 3.41Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.43Å; C22-E25 PolarHBondContact O-N 2.92Å; C22-E26 PolarHBondContact O-N 2.86Å
23L60.2Low59.4Low99 Ų99107.9 Ų107.952%0.51855%0.553SS.*Hα-helixtrans-64.3-35.4176.1-74.3167.3000112.5L19 I21 L27L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 2.98Å; I21-L23 PolarHBondContact O-N 3.21Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.42Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.45Å
24T68.5Low57.6Low63 Ų63108.4 Ų108.439%0.38757%0.568SS.*Hα-helixtrans-80.4-20.3175.255.50000113.7Q20 I21 C22 K28Q20-T24 WeakPolarHBondContact O-CB 3.42Å; Q20-T24 VanDerWaalsContact O-CG2 3.31Å; Q20-T24 WeakPolarHBondContact O-CG2 3.49Å; Q20-T24 PolarHBondContact O-N 3.41Å; Q20-T24 PolarHBondContact O-OG1 3.05Å; I21-T24 CarbonylContact O-C 3.56Å; I21-T24 PolarHBondContact O-N 3.29Å; I21-T24 VanDerWaalsContact O-N 3.1Å; I21-T24 PolarHBondContact O-OG1 3.35Å; C22-T24 VanDerWaalsContact C-N 3.34Å; C22-T24 PolarHBondContact O-N 3.43Å; T24-K28 VanDerWaalsContact O-CB 3.29Å; T24-K28 WeakPolarHBondContact O-CB 3.31Å; T24-K28 VanDerWaalsContact O-CD 3.28Å; T24-K28 WeakPolarHBondContact O-CD 3.34Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 2.86Å; T24-K28 VanDerWaalsContact O-N 3.08Å
25E64.3Low55.6Low128 Ų128114 Ų11460%0.59859%0.592SS**Hα-helixtrans-78.9-40.2168.5-70.3-153.7143.100112.3I21 C22 K28 S29I21-E25 HydrophobicContact CG2-CG 4.4Å; I21-E25 PolarHBondContact O-N 2.93Å; C22-E25 PolarHBondContact O-N 2.92Å; E25-K28 PolarHBondContact O-N 3.34Å; E25-S29 WeakPolarHBondContact O-CB 3.39Å; E25-S29 PolarHBondContact O-N 3.47Å
26E49Very low53.6Low134 Ų134116.4 Ų116.463%0.62661%0.607SS**Hα-helixtrans-63.8-45.2170.3-73.8-156.1145.900111.6C22 K28 S29 V30C22-E26 PolarHBondContact O-N 2.86Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 2.66Å; E26-S29 PolarHBondContact O-N 3.21Å; E26-S29 PolarHBondContact O-OG 3.1Å; E26-V30 WeakPolarHBondContact O-CB 3.45Å; E26-V30 WeakPolarHBondContact O-CG2 3.33Å; E26-V30 PolarHBondContact O-N 2.91Å
27L46.9Very low51.5Low106 Ų106119.7 Ų119.756%0.55562%0.623SS**Hα-helixtrans-64.6-31.1175.4-72.5171000112.3L23 H31L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.42Å; L23-L27 WeakPolarHBondContact O-CG 3.39Å; L23-L27 PolarHBondContact O-N 3.45Å; L27-H31 PolarHBondContact O-N 3.38Å; L27-H31 PolarHBondContact O-ND1 3.38Å
28K47.6Very low49.6Very low133 Ų133122.1 Ų122.158%0.57864%0.643SS**Hα-helixtrans-71.2-42.2171-80.5166.9-171.6162.40112.4T24 E25 E26 V30 H31 S32T24-K28 VanDerWaalsContact O-CB 3.29Å; T24-K28 WeakPolarHBondContact O-CB 3.31Å; T24-K28 VanDerWaalsContact O-CD 3.28Å; T24-K28 WeakPolarHBondContact O-CD 3.34Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 2.86Å; T24-K28 VanDerWaalsContact O-N 3.08Å; E25-K28 PolarHBondContact O-N 3.34Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 PolarHBondContact O-N 2.66Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 3.36Å; K28-H31 CarbonylContact O-C 3.48Å; K28-H31 PolarHBondContact O-N 3.33Å; K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.39Å; K28-S32 PolarHBondContact O-N 3.05Å; K28-S32 PolarHBondContact O-OG 3.48Å
29S43.2Very low47.4Very low75 Ų75123 Ų12352%0.52465%0.652SS.*Hα-helixtrans-65.2-40.3-17974.90000111.3E25 E26 H31 S32E25-S29 WeakPolarHBondContact O-CB 3.39Å; E25-S29 PolarHBondContact O-N 3.47Å; E26-S29 PolarHBondContact O-N 3.21Å; E26-S29 PolarHBondContact O-OG 3.1Å; S29-H31 VanDerWaalsContact C-N 3.29Å; S29-H31 PolarHBondContact O-N 3.19Å; S29-S32 PolarHBondContact O-N 3.07Å
30V40.1Very low45.6Very low115 Ų115127.3 Ų127.370%0.69767%0.67SS**Hα-helixtrans-66.3-26.8174.6174.10000112.9E26 K28E26-V30 WeakPolarHBondContact O-CB 3.45Å; E26-V30 WeakPolarHBondContact O-CG2 3.33Å; E26-V30 PolarHBondContact O-N 2.91Å; K28-V30 VanDerWaalsContact C-N 3.35Å; K28-V30 PolarHBondContact O-N 3.36Å
31H38Very low43.9Very low140 Ų140126.1 Ų126.165%0.64867%0.674SS**THydrogen-bonded Turntrans-96.32.7175.8-70.883.7000114.2L27 K28 S29 Y33L27-H31 PolarHBondContact O-N 3.38Å; L27-H31 PolarHBondContact O-ND1 3.38Å; K28-H31 CarbonylContact O-C 3.48Å; K28-H31 PolarHBondContact O-N 3.33Å; S29-H31 VanDerWaalsContact C-N 3.29Å; S29-H31 PolarHBondContact O-N 3.19Å; H31-Y33 PolarHBondContact O-N 2.82Å
32S32.3Very low41.6Very low86 Ų86129.6 Ų129.660%0.60169%0.687SS**  trans-95.342.3-174.3-67.10000114.7K28 S29K28-S32 VanDerWaalsContact O-CB 3.31Å; K28-S32 WeakPolarHBondContact O-CB 3.39Å; K28-S32 PolarHBondContact O-N 3.05Å; K28-S32 PolarHBondContact O-OG 3.48Å; S29-S32 PolarHBondContact O-N 3.07Å
33Y27.9Very low39.9Very low231 Ų231137.7 Ų137.791%0.90671%0.71SS**  trans-116.399.9156.8-95.4-90.7000108.6H31H31-Y33 PolarHBondContact O-N 2.82Å
34S31.7Very low38.3Very low115 Ų115137.2 Ų137.280%0.80472%0.715SS**  trans-151.9122.3177.9-78.40000110.5T36S34-T36 PolarHBondContact O-N 2.85Å
35E31.2Very low36.3Very low194 Ų194141.5 Ų141.591%0.90773%0.734SS**  trans-94.397.3-173.2-162.6165-144.800111.3
36T32.9Very low34.7Very low125 Ų125143.2 Ų143.277%0.76774%0.742SS**  trans16.2121.5160.658.10000120.1S34S34-T36 PolarHBondContact O-N 2.85Å
37L31Very low33.5Very low168 Ų168144.4 Ų144.488%0.8875%0.752SS**  trans-128.7133.7154.8-145.179.8000109.6
38P36.6Very low32.8Very low121 Ų121147.4 Ų147.479%0.78677%0.769SS**  trans-82.5152.3-175.331.5-35.3000114.2
39N29.6Very low31.9Very low154 Ų154145.3 Ų145.382%0.82478%0.776SS**  trans-71.6149.4-173.6-53.6-74.7000114.8
40H33.4Very low31.3Very low187 Ų187148.1 Ų148.187%0.86679%0.79SS**  trans-151.7149.9133.3-108.2-80.6000110
41P34.9Very low31Very low110 Ų110147.5 Ų147.571%0.71479%0.791SS**  trans-94.2169.7-162.837.1-36.3000115.2
42H28Very low30.7Very low169 Ų169149.4 Ų149.478%0.78280%0.8SS**  trans-50.4144.5173.6-70.6-113.1000114.3
43Y31.3Very low30.9Very low238 Ų238150.8 Ų150.893%0.93381%0.807SS**  -146.9156.2124.8-111.9-78.3000110.2
44S26.5Very low31Very low89 Ų89143.4 Ų143.462%0.62279%0.793SS**  trans-112.8167.4-165.5-55.60000113.6
45L26.7Very low31Very low153 Ų153146.2 Ų146.280%0.80179%0.793SS**  trans90.2143.6156.8-61.9171.8000120.4
46Q29.9Very low31.1Very low164 Ų164143.3 Ų143.377%0.76679%0.789SS**  trans68.394.2148.6-74.6162.3-43.900119.9N48Q46-N48 PolarHBondContact O-N 3.32Å
47L24.5Very low31.3Very low160 Ų160143.5 Ų143.584%0.83879%0.789SS**  14.8108.2111-71.2162.2000116
48N31.3Very low31.6Very low169 Ų169140 Ų14090%0.90478%0.777SS**  -163.9161.6112.5-100-31.2000112.6Q46Q46-N48 PolarHBondContact O-N 3.32Å
49A28.1Very low31.5Very low89 Ų89140.3 Ų140.374%0.73677%0.772SS**  trans-91.9-171.2-164.700000114.7
50V30.5Very low31.8Very low133 Ų133140.7 Ų140.781%0.80677%0.769SS**  trans115.1122.6153.3-1750000116.8
51S34.6Very low31.7Very low102 Ų102138.9 Ų138.971%0.71376%0.764SS**  trans59.9102156.6690000122.4
52H31.3Very low31.7Very low181 Ų181139.2 Ų139.284%0.83877%0.766SS**  6164.8101.4-78.4-27.3000120.2
53P36.5Very low31.7Very low115 Ų115136.9 Ų136.975%0.74776%0.763SS**  cis-139.9-170.25.637.2-15.8000116.7
54A30.7Very low31.5Very low75 Ų75133.6 Ų133.662%0.6276%0.76SS**  trans86.3119.7135.600000123.1
55H30.5Very low31.6Very low175 Ų175132.2 Ų132.281%0.8176%0.76SS**  trans39.1135.7132.7-54.8-72.9000120.4
56T34.9Very low31.8Very low132 Ų132130 Ų13081%0.8176%0.758SS**  -168.8137.471.6-68.20000112.4
57V37.4Very low31.8Very low129 Ų129130.6 Ų130.678%0.78276%0.758SS**  trans-93.7162.9166.6-151.40000108.8
58P37.2Very low31.8Very low96 Ų96128.6 Ų128.662%0.62374%0.744SS**  -156.9173.110541.6-24.6000117.3
59N34.1Very low31.6Very low127 Ų127127.5 Ų127.568%0.67973%0.734SS**  trans74.1142.3151.3-62.4-30.7000119.2
60Q36.1Very low31.6Very low162 Ų162128.8 Ų128.876%0.75773%0.733SS**  cis-154.6155.9-5.5-124.6160.246.900112.8
61I31.6Very low31.7Very low148 Ų148127.9 Ų127.976%0.75973%0.732SS**  trans-135.2128.2177.9-70.6168.8000106.7V63I61-V63 HydrophobicContact CG2-CG2 3.52Å
62P33.7Very low31.3Very low118 Ų118129.3 Ų129.377%0.76673%0.732SS**  -144.6146.1104.933.2-14.8000114.4
63V28.3Very low31.3Very low119 Ų119128.4 Ų128.472%0.72173%0.733SS**  80.6138.654.6-160.10000113.9I61I61-V63 HydrophobicContact CG2-CG2 3.52Å
64I27.5Very low31Very low169 Ų169128.2 Ų128.287%0.86773%0.73SS**  trans86.8119.4168.7-45.2-177.1000117.7
65G28.1Very low30.9Very low60 Ų60132 Ų13262%0.61974%0.738SS**  trans138.8113.7132.500000118.7
66S31Very low31Very low108 Ų108129.5 Ų129.576%0.75574%0.735SS**  trans71133.8146.8-67.60000117.9
67K29.2Very low30.8Very low175 Ų175130.7 Ų130.776%0.76173%0.731SS**  56.9132.978.3-66.8171.1152-86.90112.2
68E26Very low30.6Very low118 Ų118132.3 Ų132.355%0.55174%0.735SS**  cis-167.7-174.50.5-128.4170.6101.300109.7
69Q27Very low30.2Very low147 Ų147134.8 Ų134.869%0.68774%0.743SS**  trans59103.6147.1-72.9169.124.800119.1
70T26.9Very low30.1Very low116 Ų116136 Ų13671%0.71275%0.75SS**  73.911078.961.40000117.1
71S32.5Very low29.9Very low114 Ų114136.7 Ų136.780%0.79775%0.751SS**  trans-174.1119.5132.439.20000107.4
72N26Very low30.1Very low132 Ų132136.6 Ų136.671%0.70676%0.757SS**  66.793.152.4-63.25.3000113.6
73N31.9Very low30.2Very low162 Ų162135.1 Ų135.187%0.86676%0.755SS**  trans-155.297.1144.8-90.5-33.7000105.3
74T29.8Very low30.3Very low110 Ų110134.5 Ų134.568%0.67575%0.747SS**  85.5139.451.8-50.30000111.6
75I29.5Very low30.8Very low156 Ų156134.1 Ų134.180%0.875%0.745SS**  trans60.7146.8-178.728.5-178.3000116.1
76V33.1Very low31.1Very low121 Ų121135.9 Ų135.973%0.73374%0.737SS**  cis-128.816310.1-1750000111.3
77E29.7Very low31.2Very low158 Ų158139 Ų13974%0.73875%0.745SS**  trans-56.7153.7172.5-56.1112.2151.900115.4
78D32.5Very low31.6Very low162 Ų162136.5 Ų136.587%0.86674%0.739SS**  -169.1153.5116.9-107.1-21.5000111.6
79D30.2Very low32Very low149 Ų149135.5 Ų135.580%0.79775%0.745SS**  trans-73.2143.3-167.8-79-50000115.6
80N31Very low32.4Very low153 Ų153137 Ų13782%0.81876%0.756SS**  trans135.775151.6-78.1-73.9000113.8
81F33Very low32.9Very low175 Ų175137.3 Ų137.377%0.76876%0.758SS**  trans-129.7104.1171.1-95.7-88.6000113.6A83 D84F81-A83 PolarHBondContact O-N 3Å; F81-D84 HydrophobicContact CD1-CB 4.36Å; F81-D84 HydrophobicContact CE1-CB 4.2Å
82V35Very low33.1Very low146 Ų146137.5 Ų137.589%0.88576%0.76SS**SBendtrans-93.584.4165-178.80000108.7D84V82-D84 PolarHBondContact O-N 3.26Å
83A36.5Very low33.7Very low88 Ų88139.9 Ų139.973%0.72777%0.766SS**  trans45.963.5161.800000117.6F81 I85F81-A83 PolarHBondContact O-N 3Å; A83-I85 PolarHBondContact O-N 3.45Å
84D30.9Very low33.9Very low105 Ų105143.4 Ų143.456%0.56177%0.767SS**  trans-65.2122.3161.1-100.22.3000110F81 V82F81-D84 HydrophobicContact CD1-CB 4.36Å; F81-D84 HydrophobicContact CE1-CB 4.2Å; V82-D84 PolarHBondContact O-N 3.26Å
85I37.7Very low34.5Very low162 Ų162147 Ų14783%0.83178%0.777SS**  trans-97.8102.6172.5-60.1177.7000108.7A83A83-I85 PolarHBondContact O-N 3.45Å
86E33.9Very low35Very low96 Ų96145.3 Ų145.345%0.44978%0.779SS.*  trans-94105.3-175.8-158.5166.4-136.800112.6I88 R99 R101E86-I88 HydrophobicContact CB-CG1 4.3Å; E86-I88 HydrophobicContact CG-CD1 4.3Å; E86-I88 HydrophobicContact CG-CG1 3.82Å; E86-I88 PolarHBondContact O-N 2.89Å; E86-I88 VanDerWaalsContact O-N 3.1Å; E86-R99 IonicContact OE1-CZ 3.91Å; E86-R99 IonicContact OE1-NH2 2.7Å; E86-R99 PolarHBondContact OE1-NH2 2.91Å; E86-R101 IonicContact OE1-CZ 2.66Å; E86-R101 IonicContact OE1-NH2 3.32Å; E86-R101 PolarHBondContact OE1-NH2 2.79Å
87L33.5Very low35.4Very low175 Ų175146.6 Ų146.692%0.91678%0.78SS**  trans-75.292.5171.6-80.6168.4000110.8
88I37.1Very low36.1Very low122 Ų122143.5 Ų143.563%0.62677%0.774SS**  trans-89121.1-177.4-63.4179.4000111.9E86E86-I88 HydrophobicContact CB-CG1 4.3Å; E86-I88 HydrophobicContact CG-CD1 4.3Å; E86-I88 HydrophobicContact CG-CG1 3.82Å; E86-I88 PolarHBondContact O-N 2.89Å; E86-I88 VanDerWaalsContact O-N 3.1Å
89S34.9Very low36.3Very low97 Ų97145 Ų14568%0.67877%0.767SS**  trans49.692152.1-56.40000119.8
90L34.2Very low36.5Very low178 Ų178146.6 Ų146.693%0.93276%0.763SS**SBendtrans-114.530.6154.4-75.9179.6000113.7
91T37.4Very low36.8Very low122 Ų122147.4 Ų147.475%0.74876%0.755SS**  trans-137.981.7166.341.80000110.9
92S37.2Very low36.9Very low119 Ų119147.5 Ų147.583%0.83276%0.762SS**  trans-61.1143.2157.2-167.90000108.8
93Q39.3Very low36.9Very low181 Ų181150.3 Ų150.385%0.84676%0.757SS**SBendtrans60.972.9-176.1-57.7-179.6-23.800116.6
94R36Very low37.2Very low236 Ų236153 Ų15389%0.89176%0.764SS**  -164.1126124.9-106162.7-162.6-110.40.8111.4
95Q41.2Very low37.4Very low185 Ų185152.9 Ų152.986%0.86476%0.764SS**  trans-75.9168.7168.2-70.3165.3-28.800110
96S41.8Very low37.7Very low122 Ų122149.9 Ų149.985%0.85376%0.755SS**  trans63.264.4176.375.90000118.4
97I39.9Very low37.8Very low148 Ų148150.6 Ų150.676%0.75977%0.769SS**  trans-133.4135.1153-58.6-178.7000108.7
98P45.2Very low38.2Very low92 Ų92148.2 Ų148.260%0.59776%0.762SS**  trans-67138.1-179.9-21.533.8000114.2Y100P98-Y100 HydrophobicContact CB-CE2 4.14Å; P98-Y100 PolarHBondContact O-N 3.46Å
99R36.6Very low38.2Very low194 Ų194146.1 Ų146.173%0.73276%0.762SS**  trans-79108.3171.6-69-178.771.7170.72.6110.4E86E86-R99 IonicContact OE1-CZ 3.91Å; E86-R99 IonicContact OE1-NH2 2.7Å; E86-R99 PolarHBondContact OE1-NH2 2.91Å
100Y34.4Very low38.3Very low183 Ų183150 Ų15072%0.71877%0.768SS**PPolyproline II helixtrans-94.2127.2165.1-62.6-76.9000109.8P98P98-Y100 HydrophobicContact CB-CE2 4.14Å; P98-Y100 PolarHBondContact O-N 3.46Å
101R37.7Very low38.7Very low169 Ų169149.7 Ų149.764%0.63877%0.766SS**PPolyproline II helixtrans-101.9128.6168.5-81.2-176.1169.9165.1-4.3109.3E86E86-R101 IonicContact OE1-CZ 2.66Å; E86-R101 IonicContact OE1-NH2 3.32Å; E86-R101 PolarHBondContact OE1-NH2 2.79Å
102L34.1Very low38.7Very low177 Ų177147 Ų14793%0.92776%0.762SS**PPolyproline II helixtrans-75.3139.2165.9-88.5157.9000109.1
103R35.5Very low38.6Very low206 Ų206151 Ų15178%0.77776%0.76SS**PPolyproline II helixtrans-91.4138.1166.7-63.8-178.2-171.4145.80.6108.7D105R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 PolarHBondContact O-N 2.99Å
104V42.9Very low38.6Very low143 Ų143154 Ų15487%0.86776%0.764SS**  trans-82.685.5158.7-178.20000106.7P106V104-P106 WeakPolarHBondContact O-CD 3.26Å
105D34.9Very low38.9Very low104 Ų104147.3 Ų147.356%0.55675%0.746SS**  trans-66.2123.3172.2-71.6-28.6000108.3R103 C107R103-D105 VanDerWaalsContact C-N 3.31Å; R103-D105 PolarHBondContact O-N 2.99Å; D105-C107 VanDerWaalsContact C-N 3.28Å; D105-C107 PolarHBondContact O-N 3.28Å
106P45.1Very low39.3Very low99 Ų99147 Ų14764%0.64374%0.742SS**  trans-78.875.3-173.831.5-35.6000111.4V104 T108 A109V104-P106 WeakPolarHBondContact O-CD 3.26Å; P106-T108 PolarHBondContact O-N 3.41Å; P106-A109 PolarHBondContact O-N 2.87Å
107C34.9Very low39.9Very low110 Ų110146.6 Ų146.674%0.74373%0.73SS**THydrogen-bonded Turntrans-63.67-178.8-64.50000115.4D105D105-C107 VanDerWaalsContact C-N 3.28Å; D105-C107 PolarHBondContact O-N 3.28Å
108T41.1Very low40.2Very low126 Ų126146.9 Ų146.977%0.77373%0.726SS**THydrogen-bonded Turntrans-103.619.6175.6520000113.5P106 F110P106-T108 PolarHBondContact O-N 3.41Å; T108-F110 PolarHBondContact O-N 3.32Å
109A38.8Very low40Very low77 Ų77152.5 Ų152.564%0.63674%0.735SS**  trans-70.846.2167.600000113.5P106 L111P106-A109 PolarHBondContact O-N 2.87Å; A109-L111 PolarHBondContact O-N 3.34Å
110F36.6Very low40.5Very low179 Ų179146.9 Ų146.979%0.78573%0.726SS**  trans-71.885.4175.1-95.6-87000111.1T108 G112T108-F110 PolarHBondContact O-N 3.32Å; F110-G112 PolarHBondContact O-N 2.81Å
111L42.3Very low41Very low172 Ų172140.9 Ų140.990%0.90171%0.714SS**THydrogen-bonded Turntrans-62.896.8163.9-88.764.8000109.1A109A109-L111 PolarHBondContact O-N 3.34Å
112G36.4Very low41.2Very low65 Ų65142.8 Ų142.867%0.6772%0.721SS**THydrogen-bonded Turntrans-175.9-50.7175.800000115.7F110F110-G112 PolarHBondContact O-N 2.81Å
113Y36.8Very low41.6Very low202 Ų202143 Ų14379%0.79271%0.71SS**  trans-99.6116.1-167.4-79.7-89.5000113.9
114R38.4Very low42.2Very low246 Ų246138.7 Ų138.793%0.92870%0.701SS**  trans-93.625.5177.2-87.2-169.1169.3-1490.1114.1K116R114-K116 PolarHBondContact O-N 3.49Å
115N41.5Very low42.2Very low94 Ų94137.3 Ų137.350%0.50369%0.693SS.*  trans-66.1132.9178.7-73.311.9000110.7D117 F118N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.84Å; N115-F118 HydrophobicContact CB-CD2 4.28Å; N115-F118 HydrophobicContact CB-CE2 4.48Å
116K49.8Very low42.5Very low178 Ų178141.3 Ų141.377%0.77470%0.701SS**SBendtrans-71.9-26.9-173.8-69.6-179.2177.9178.20112.3R114 F118 R119R114-K116 PolarHBondContact O-N 3.49Å; K116-F118 VanDerWaalsContact C-N 3.33Å; K116-F118 PolarHBondContact O-N 2.86Å; K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.07Å
117D56.2Low42.4Very low114 Ų114141 Ų14161%0.6169%0.694SS**THydrogen-bonded Turntrans-69-33-159.7-35.4-65.4000111.8N115 R119 S120N115-D117 VanDerWaalsContact C-N 3.28Å; N115-D117 PolarHBondContact O-N 2.84Å; D117-R119 PolarHBondContact O-N 2.87Å; D117-R119 VanDerWaalsContact O-N 3.15Å; D117-S120 PolarHBondContact O-N 2.8Å
118F45.4Very low42.7Very low155 Ų155143.1 Ų143.168%0.6869%0.69SS**Hα-helixtrans-68.6-7.8175.8-66.4-76.6000114.7N115 K116N115-F118 HydrophobicContact CB-CD2 4.28Å; N115-F118 HydrophobicContact CB-CE2 4.48Å; K116-F118 VanDerWaalsContact C-N 3.33Å; K116-F118 PolarHBondContact O-N 2.86Å
119R40.5Very low42.7Very low209 Ų209142.2 Ų142.279%0.78969%0.689SS**Hα-helixtrans-69.8-31.4172.9-77.4-169.7164.3-143.1-4.4112.8K116 D117K116-R119 WeakPolarHBondContact O-CB 3.47Å; K116-R119 PolarHBondContact O-N 3.13Å; K116-R119 VanDerWaalsContact O-N 3.07Å; D117-R119 PolarHBondContact O-N 2.87Å; D117-R119 VanDerWaalsContact O-N 3.15Å
120S46.9Very low42.9Very low77 Ų77143.5 Ų143.554%0.53869%0.694SS.*Hα-helixtrans-71.8-44.6-179.8-57.10000111.5D117 R122 R123D117-S120 PolarHBondContact O-N 2.8Å; S120-R122 PolarHBondContact O-N 3.01Å; S120-R122 VanDerWaalsContact O-N 3.12Å; S120-R123 PolarHBondContact O-N 3.24Å
121A44.5Very low43.2Very low57 Ų57143.2 Ų143.247%0.47169%0.692SS.*Hα-helixtrans-57-28.8178.200000113.8R123A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 2.72Å
122R42.2Very low43Very low209 Ų209143.4 Ų143.479%0.78968%0.682SS**Hα-helixtrans-78.9-9.4179.3-161-178.1-78.2-144.1-1.6114.2S120S120-R122 PolarHBondContact O-N 3.01Å; S120-R122 VanDerWaalsContact O-N 3.12Å
123R43.9Very low43.4Very low180 Ų180146.3 Ų146.368%0.67969%0.689SS**Hα-helixtrans-86.4-44.4172.4-78.9-164.5-90.5-158.22.1112.4S120 A121 T125 R126S120-R123 PolarHBondContact O-N 3.24Å; A121-R123 VanDerWaalsContact C-N 3.35Å; A121-R123 PolarHBondContact O-N 2.72Å; R123-T125 PolarHBondContact O-N 2.86Å; R123-R126 PolarHBondContact O-N 2.86Å
124I46.9Very low43.6Very low117 Ų117143.7 Ų143.760%0.669%0.688SS**Hα-helixtrans-51.3-39.1-175.2-60.2172.8000112.5R126 F128I124-R126 PolarHBondContact O-N 3.33Å; I124-F128 WeakPolarHBondContact O-CD2 3.38Å
125T43.3Very low43.6Very low114 Ų114136.2 Ų136.270%0.69967%0.671SS**Hα-helixtrans-80.3-8.9-178.753.30000115.4R123R123-T125 PolarHBondContact O-N 2.86Å
126R40.9Very low43.5Very low188 Ų188141.7 Ų141.771%0.70969%0.69SS**Hα-helixtrans-90.8-36.9-176.9-152.4-179.378.4135.93.8113R123 I124 S129R123-R126 PolarHBondContact O-N 2.86Å; I124-R126 PolarHBondContact O-N 3.33Å; R126-S129 PolarHBondContact O-N 3.42Å
127D43.7Very low43.1Very low93 Ų93136.2 Ų136.250%0.49767%0.674SS.*Hα-helixtrans-86.4-14.9-164.6-55.6-33.3000113.2S129 S130D127-S129 PolarHBondContact O-N 2.87Å; D127-S130 PolarHBondContact O-N 3.46Å
128F41.4Very low42.4Very low154 Ų154136 Ų13668%0.67568%0.682SS**G310 helixtrans-56.9-29.6166.9-85.4-85.4000113.1I124 S130I124-F128 WeakPolarHBondContact O-CD2 3.38Å; F128-S130 PolarHBondContact O-N 3.31Å; F128-S130 VanDerWaalsContact O-N 3.16Å
129S41.3Very low42.5Very low107 Ų107133.1 Ų133.175%0.74868%0.681SS**G310 helixtrans-69.6-8.8-179.1-167.50000113.9R126 D127R126-S129 PolarHBondContact O-N 3.42Å; D127-S129 PolarHBondContact O-N 2.87Å
130S41.3Very low42.7Very low104 Ų104129 Ų12973%0.72767%0.671SS**G310 helixtrans-102.9-11.5-170.4-167.60000115.5D127 F128D127-S130 PolarHBondContact O-N 3.46Å; F128-S130 PolarHBondContact O-N 3.31Å; F128-S130 VanDerWaalsContact O-N 3.16Å
131K44.3Very low42.1Very low172 Ų172132.5 Ų132.575%0.74868%0.683SS**THydrogen-bonded Turntrans-117.1-12.2-173.3-78.2-175.3174.91780115.9
132Y37.6Very low41.7Very low177 Ų177135.6 Ų135.669%0.69470%0.696SS**  trans-136108.9-179-61.4-77000111.2L134Y132-L134 PolarHBondContact O-N 3.5Å
133P43.9Very low41.2Very low125 Ų125131.5 Ų131.581%0.81269%0.694SS**PPolyproline II helixtrans-68.1122.7172.5-16.230.4000110.2
134L41.7Very low40.9Very low147 Ų147130.9 Ų130.977%0.7770%0.703SS**PPolyproline II helixtrans-66.1139.2174-81.682.7000110.8Y132Y132-L134 PolarHBondContact O-N 3.5Å
135P38.2Very low40.3Very low89 Ų89127.4 Ų127.458%0.57870%0.696SS**PPolyproline II helixtrans-60146175-23.633.9000113E140P135-E140 WeakPolarHBondContact CB-OE2 3.4Å; P135-E140 VanDerWaalsContact CG-OE2 3.22Å; P135-E140 WeakPolarHBondContact CG-OE2 3.45Å
136K38.9Very low39.8Very low209 Ų209133.5 Ų133.591%0.90971%0.708SS**  trans-110.424.1-170.6-62.8-175.1178.7178.80114
137S41.8Very low39.5Very low63 Ų63132.1 Ų132.144%0.44171%0.713SS.*SBendtrans-145.2132.1-175.144.50000113.1S139S137-S139 PolarHBondContact O-N 2.79Å
138S42Very low38.8Very low110 Ų110131.1 Ų131.177%0.76971%0.713SS**THydrogen-bonded Turntrans-67.82.6-171.3-40.80000116.2
139S46.3Very low38.3Very low94 Ų94128.6 Ų128.666%0.65771%0.714SS**THydrogen-bonded Turntrans-80.4-16.3-177.243.30000114.5S137S137-S139 PolarHBondContact O-N 2.79Å
140E45.6Very low37.9Very low124 Ų124132.3 Ų132.358%0.57971%0.714SS**SBendtrans-96.8-11.9-171.6-65.4177.1-176.300113.9P135 T142P135-E140 WeakPolarHBondContact CB-OE2 3.4Å; P135-E140 VanDerWaalsContact CG-OE2 3.22Å; P135-E140 WeakPolarHBondContact CG-OE2 3.45Å; E140-T142 PolarHBondContact O-N 3.19Å; E140-T142 VanDerWaalsContact O-N 3.07Å
141L33.8Very low37.5Very low150 Ų150134 Ų13479%0.78572%0.72SS**THydrogen-bonded Turntrans-81.822.3-171.9-72.1170.1000115.2
142T36.5Very low36.9Very low122 Ų122132 Ų13275%0.74872%0.722SS**THydrogen-bonded Turntrans-102.7-12.9-172.6-42.90000114E140E140-T142 PolarHBondContact O-N 3.19Å; E140-T142 VanDerWaalsContact O-N 3.07Å
143T33Very low36.7Very low123 Ų123131.4 Ų131.476%0.75573%0.731SS**  trans-139.480-174.4-47.30000112.9
144I36.7Very low36.2Very low166 Ų166131 Ų13185%0.85173%0.728SS**  trans-97.274.4157-55-178.2000107.6
145G34Very low35.8Very low45 Ų45131.5 Ų131.546%0.46473%0.731SS.*  trans-79.9150.3164.800000110.1I147G145-I147 PolarHBondContact O-N 2.85Å
146Y33.3Very low35.6Very low242 Ų242134 Ų13495%0.94974%0.735SS**  trans-57.8108.7177.9-83.1-110.8000111.2S148Y146-S148 PolarHBondContact O-N 3.23Å
147I34.5Very low35.1Very low159 Ų159133 Ų13382%0.81573%0.725SS**  trans-86.696.3166.1-59.9179.4000107.2G145G145-I147 PolarHBondContact O-N 2.85Å
148S29.2Very low34.6Very low72 Ų72135.8 Ų135.850%0.50374%0.74SS.*  trans-80.9114.5165.3-174.80000108.1Y146 Y150Y146-S148 PolarHBondContact O-N 3.23Å; S148-Y150 PolarHBondContact O-N 3.05Å; S148-Y150 VanDerWaalsContact OG-CE2 3.31Å; S148-Y150 WeakPolarHBondContact OG-CE2 3.44Å; S148-Y150 PolarHBondContact OG-OH 3.35Å; S148-Y150 VanDerWaalsContact OG-OH 3.06Å
149S31.5Very low34.2Very low100 Ų100135.4 Ų135.470%0.69973%0.733SS**  trans-87.4105-172.950.80000111.8
150Y32.3Very low33.6Very low186 Ų186138.4 Ų138.473%0.72974%0.737SS**  trans-108.7167.8165.9-50.3-72.4000110.4S148S148-Y150 PolarHBondContact O-N 3.05Å; S148-Y150 VanDerWaalsContact OG-CE2 3.31Å; S148-Y150 WeakPolarHBondContact OG-CE2 3.44Å; S148-Y150 PolarHBondContact OG-OH 3.35Å; S148-Y150 VanDerWaalsContact OG-OH 3.06Å
151T32.6Very low33.4Very low140 Ų140140.2 Ų140.286%0.85975%0.749SS**  trans6689.6177.469.30000116.3
152T31.6Very low33.3Very low128 Ų128139.9 Ų139.979%0.78575%0.748SS**  trans-65.7143.3148.742.80000110.7
153N33Very low33.3Very low165 Ų165139 Ų13988%0.88275%0.747SS**  trans179.993.6147.8-97.4-31.8000111.6
154P33.5Very low33.5Very low116 Ų116141.5 Ų141.575%0.75375%0.75SS**  trans-100.4122.7172.634.3-26.8000111.8
155L32.7Very low33.6Very low159 Ų159142 Ų14283%0.83275%0.749SS**  trans-172.4141.6157.8-110.3158.6000112.5
156Q34.1Very low33.8Very low141 Ų141144.8 Ų144.866%0.65975%0.753SS**  trans71.5142.9165.1-63.3-171.167.300117.5
157R29.8Very low34.2Very low188 Ų188143.2 Ų143.271%0.70975%0.746SS**  cis-169.5123.7-9164.1-166.9-65.7-107.43.8110.6
158T31.7Very low34.5Very low122 Ų122141.2 Ų141.275%0.74875%0.746SS**  trans57.2169.7160.470.70000117.5
159T32.1Very low34.8Very low102 Ų102147.4 Ų147.463%0.62677%0.767SS**  cis-151.4165.66.2-23.20000110.6
160E35Very low35.3Very low157 Ų157146.1 Ų146.173%0.73477%0.769SS**  trans69140.4158.3-70.1148.7-113.400117
161L40.1Very low35.6Very low162 Ų162146.7 Ų146.785%0.84878%0.778SS**  cis-129170.912.7-70.2168.2000112.8
162N31.5Very low36Very low143 Ų143148.2 Ų148.277%0.76578%0.781SS**  trans-110.7151-167.9-42.7-37.3000114.8
163S37.7Very low36.6Very low104 Ų104150.4 Ų150.473%0.72778%0.783SS**  trans179124.3137.3500000107.7
164E36.1Very low36.9Very low174 Ų174149 Ų14981%0.81378%0.775SS**  61.3122.460.8-57.7170.8151.400109.9
165E39Very low37.2Very low177 Ų177149.9 Ų149.983%0.82777%0.773SS**  cis-144.7165.719.4-95.2-168.6127.700109.5
166D39.2Very low37.9Very low104 Ų104149.6 Ų149.656%0.55677%0.773SS**  cis-174171.6-15-171.816.4000110.6
167R40.4Very low38.3Very low208 Ų208147.5 Ų147.579%0.78577%0.77SS**  trans63.3114152.7-103.3171.6-91.4-129.1-14.1122.7
168S41.3Very low39.3Very low117 Ų117145.4 Ų145.482%0.81877%0.772SS**  134.469.5114.1-168.10000116.6
169E35.9Very low40.2Very low203 Ų203145.7 Ų145.795%0.94978%0.779SS**  trans-83.9159.7166.7-68-179.3164.200112.8
170G41.3Very low41.9Very low72 Ų72144.8 Ų144.874%0.74277%0.77SS**  trans-170.6113.5173.200000113.5
171E38.7Very low44Very low198 Ų198141.1 Ų141.193%0.92576%0.758SS**  trans66.262.2162.8-60.2177.3-157.700117.7
172D40.6Very low45.8Very low172 Ų172138 Ų13892%0.9275%0.746SS**  trans-101.7123.8152.1-85.7-50.7000109.7
173E44.3Very low48Very low174 Ų174137.7 Ų137.781%0.81374%0.74SS**  trans-129.3133.8170.8-71.2-162.6162.500112
174N40.3Very low50Low137 Ų137137.2 Ų137.273%0.73373%0.726SS**  trans70.561.1169.9-43.8-79.7000117.3
175D39.6Very low52.2Low133 Ų133133.6 Ų133.671%0.71171%0.712SS**  trans-109.251.1159.3-1583.2000112.4T177D175-T177 PolarHBondContact O-N 3Å; D175-T177 WeakPolarHBondContact OD1-CB 3.44Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.3Å; D175-T177 PolarHBondContact OD1-OG1 3.3Å
176D46.9Very low54.4Low154 Ų154130.3 Ų130.382%0.82470%0.696SS**  trans-69.726.7170.7-76.1-46.5000112.7L178D176-L178 PolarHBondContact O-N 2.99Å
177T43.9Very low56.4Low97 Ų97130.1 Ų130.160%0.59570%0.695SS**  trans-84.7114-170.970.80000112.6D175D175-T177 PolarHBondContact O-N 3Å; D175-T177 WeakPolarHBondContact OD1-CB 3.44Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.3Å; D175-T177 PolarHBondContact OD1-OG1 3.3Å
178L50.4Low58.5Low144 Ų144123 Ų12375%0.75468%0.675SS**  trans77.147.4158.4-54.6151.8000117.5D176 L180D176-L178 PolarHBondContact O-N 2.99Å; L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.25Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-L180 VanDerWaalsContact O-N 3.11Å
179S50.8Low60.6Low127 Ų127122.3 Ų122.389%0.88866%0.662SS**  trans-75.983.9154.6-70.60000110.8
180L67.5Low63Low83 Ų83117.1 Ų117.144%0.43564%0.64SS.*  trans-68138.4174.1-70.1104.5000111.1L178 Q184 I185L178-L180 VanDerWaalsContact C-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.25Å; L178-L180 PolarHBondContact O-N 3.42Å; L178-L180 VanDerWaalsContact O-N 3.11Å; L180-Q184 HydrophobicContact CB-CB 4.16Å; L180-Q184 HydrophobicContact CD2-CB 3.99Å; L180-I185 HydrophobicContact CB-CG1 4.04Å
181T78.5Confident65.2Low81 Ų81121.2 Ų121.250%0.49763%0.634SS.*  trans-66.7155.3173.421.50000111.7E183 Q184 I185T181-E183 VanDerWaalsContact C-N 3.27Å; T181-E183 PolarHBondContact O-N 3.34Å; T181-Q184 WeakPolarHBondContact O-CA 3.25Å; T181-Q184 WeakPolarHBondContact O-CB 3.46Å; T181-Q184 PolarHBondContact O-N 2.81Å; T181-Q184 VanDerWaalsContact OG1-CD 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-OE1 3.41Å; T181-I185 PolarHBondContact O-N 3.15Å
182T77.6Confident67.6Low97 Ų97118.4 Ų118.460%0.59562%0.619SS**Hα-helixtrans-52.3-44.9179-38.40000112.3Q184 I185 E186T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.19Å; T182-I185 WeakPolarHBondContact O-CA 3.41Å; T182-I185 WeakPolarHBondContact O-CB 3.23Å; T182-I185 PolarHBondContact O-N 2.94Å; T182-I185 VanDerWaalsContact O-N 3.08Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.95Å
183E77.1Confident69.8Low135 Ų135114.1 Ų114.163%0.63160%0.595SS**Hα-helixtrans-59.9-35.8174.6-179.7-176.7-169.800112.9T181 N187T181-E183 VanDerWaalsContact C-N 3.27Å; T181-E183 PolarHBondContact O-N 3.34Å; E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.85Å; E183-N187 PolarHBondContact O-ND2 3.47Å
184Q81.1Confident71.7Confident95 Ų95111.1 Ų111.144%0.44459%0.585SS.*Hα-helixtrans-72.3-35.2174.5-68.2176.8-13.200111.7L180 T181 T182 T188L180-Q184 HydrophobicContact CB-CB 4.16Å; L180-Q184 HydrophobicContact CD2-CB 3.99Å; T181-Q184 WeakPolarHBondContact O-CA 3.25Å; T181-Q184 WeakPolarHBondContact O-CB 3.46Å; T181-Q184 PolarHBondContact O-N 2.81Å; T181-Q184 VanDerWaalsContact OG1-CD 3.23Å; T181-Q184 WeakPolarHBondContact OG1-CG 3.32Å; T181-Q184 PolarHBondContact OG1-OE1 3.41Å; T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.19Å; Q184-T188 WeakPolarHBondContact O-CB 3.46Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.88Å
185I82.2Confident73.9Confident98 Ų98106.7 Ų106.750%0.50356%0.564SS.*Hα-helixtrans-65.9-43.9174.1-63169.1000109.8L180 T181 T182 T188 L189L180-I185 HydrophobicContact CB-CG1 4.04Å; T181-I185 PolarHBondContact O-N 3.15Å; T182-I185 WeakPolarHBondContact O-CA 3.41Å; T182-I185 WeakPolarHBondContact O-CB 3.23Å; T182-I185 PolarHBondContact O-N 2.94Å; T182-I185 VanDerWaalsContact O-N 3.08Å; I185-T188 PolarHBondContact O-N 2.86Å; I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 PolarHBondContact O-N 2.94Å
186E83.9Confident76.1Confident108 Ų108102 Ų10251%0.50555%0.547SS..Hα-helixtrans-63.5-51.3176.2-72.4166.9175.900111.6T182 T188 L189 D190T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.95Å; E186-T188 VanDerWaalsContact C-N 3.26Å; E186-T188 PolarHBondContact O-N 3.31Å; E186-L189 WeakPolarHBondContact O-CB 3.05Å; E186-L189 PolarHBondContact O-N 2.8Å; E186-L189 VanDerWaalsContact O-N 3.11Å; E186-D190 PolarHBondContact O-N 3.39Å
187N81.7Confident77.8Confident100 Ų10099.5 Ų99.554%0.53553%0.533SS..Hα-helixtrans-61.3-32.7174.8-81.5-77.8000112.9E183 Y191E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 PolarHBondContact O-N 2.85Å; E183-N187 PolarHBondContact O-ND2 3.47Å; N187-Y191 WeakPolarHBondContact O-CB 3.2Å; N187-Y191 PolarHBondContact O-N 3.42Å
188T84.7Confident79.7Confident58 Ų58103 Ų10336%0.35654%0.535SS..Hα-helixtrans-71.9-38.6174.7-630000111.3Q184 I185 E186 Y191 F192Q184-T188 WeakPolarHBondContact O-CB 3.46Å; Q184-T188 PolarHBondContact O-N 3.31Å; Q184-T188 PolarHBondContact O-OG1 2.88Å; I185-T188 PolarHBondContact O-N 2.86Å; E186-T188 VanDerWaalsContact C-N 3.26Å; E186-T188 PolarHBondContact O-N 3.31Å; T188-Y191 PolarHBondContact O-N 2.85Å; T188-F192 HydrophobicContact CG2-CD2 3.78Å; T188-F192 HydrophobicContact CG2-CE2 3.44Å; T188-F192 VanDerWaalsContact CG2-CE2 3.44Å; T188-F192 HydrophobicContact CG2-CZ 4.37Å; T188-F192 WeakPolarHBondContact O-CD2 3.31Å; T188-F192 PolarHBondContact O-N 2.86Å
189L86.1Confident81.2Confident103 Ų103100.9 Ų100.954%0.53953%0.528SS..Hα-helixtrans-63.6-47.6173.9-167.881.5000110.5I185 E186 Y191 F192 I193I185-L189 WeakPolarHBondContact O-CB 3.32Å; I185-L189 PolarHBondContact O-N 2.94Å; E186-L189 WeakPolarHBondContact O-CB 3.05Å; E186-L189 PolarHBondContact O-N 2.8Å; E186-L189 VanDerWaalsContact O-N 3.11Å; L189-Y191 PolarHBondContact O-N 3.01Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 PolarHBondContact O-N 3.43Å; L189-F192 VanDerWaalsContact O-N 3.14Å; L189-I193 HydrophobicContact CD2-CD1 4.07Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.24Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.29Å; L189-I193 PolarHBondContact O-N 2.98Å
190D84.9Confident82.6Confident93 Ų9398.3 Ų98.350%0.49751%0.51SS..Hα-helixtrans-61-42.4175.2-94.19.1000111.4E186 F192 I193 L194E186-D190 PolarHBondContact O-N 3.39Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; D190-I193 PolarHBondContact O-N 3.19Å; D190-L194 HydrophobicContact CB-CD1 4.5Å; D190-L194 WeakPolarHBondContact O-CB 3.41Å; D190-L194 WeakPolarHBondContact O-CD1 3.36Å; D190-L194 PolarHBondContact O-N 2.97Å
191Y87.2Confident83Confident159 Ų159100.3 Ų100.362%0.62452%0.517SS*.Hα-helixtrans-59.2-43.4172.9-179.2-97.4000112.1N187 T188 L189 C195N187-Y191 WeakPolarHBondContact O-CB 3.2Å; N187-Y191 PolarHBondContact O-N 3.42Å; T188-Y191 PolarHBondContact O-N 2.85Å; L189-Y191 PolarHBondContact O-N 3.01Å; Y191-C195 VanDerWaalsContact CZ-SG 3.58Å; Y191-C195 VanDerWaalsContact O-CB 3.28Å; Y191-C195 WeakPolarHBondContact O-CB 3.28Å; Y191-C195 PolarHBondContact O-N 3.05Å; Y191-C195 PolarHBondContact O-SG 3.17Å
192F89.3Confident82.4Confident138 Ų138101 Ų10161%0.60552%0.516SS*.Hα-helixtrans-67.8-36.1175.2-75-51.6000113T188 L189 D190 C195 G196T188-F192 HydrophobicContact CG2-CD2 3.78Å; T188-F192 HydrophobicContact CG2-CE2 3.44Å; T188-F192 VanDerWaalsContact CG2-CE2 3.44Å; T188-F192 HydrophobicContact CG2-CZ 4.37Å; T188-F192 WeakPolarHBondContact O-CD2 3.31Å; T188-F192 PolarHBondContact O-N 2.86Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 PolarHBondContact O-N 3.43Å; L189-F192 VanDerWaalsContact O-N 3.14Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; F192-C195 PolarHBondContact O-N 2.84Å; F192-G196 PolarHBondContact O-N 3.39Å
193I87.8Confident82.1Confident82 Ų8298.2 Ų98.242%0.42150%0.502SS..Hα-helixtrans-69.8-43.9176.8-71.5168.1000110.7L189 D190 G196 L197L189-I193 HydrophobicContact CD2-CD1 4.07Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.24Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.29Å; L189-I193 PolarHBondContact O-N 2.98Å; D190-I193 PolarHBondContact O-N 3.19Å; I193-G196 PolarHBondContact O-N 2.74Å; I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 PolarHBondContact O-N 2.86Å
194L84.9Confident81.6Confident112 Ų11297.9 Ų97.959%0.58650%0.501SS*.Hα-helixtrans-64.7-38.1173-9084.9000111.7D190 R198D190-L194 HydrophobicContact CB-CD1 4.5Å; D190-L194 WeakPolarHBondContact O-CB 3.41Å; D190-L194 WeakPolarHBondContact O-CD1 3.36Å; D190-L194 PolarHBondContact O-N 2.97Å; L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.81Å
195C84.6Confident80.7Confident44 Ų4497.9 Ų97.930%0.29751%0.507SS..Hα-helixtrans-65.5-41.1172.6-72.40000111.5Y191 F192 R198 V199Y191-C195 VanDerWaalsContact CZ-SG 3.58Å; Y191-C195 VanDerWaalsContact O-CB 3.28Å; Y191-C195 WeakPolarHBondContact O-CB 3.28Å; Y191-C195 PolarHBondContact O-N 3.05Å; Y191-C195 PolarHBondContact O-SG 3.17Å; F192-C195 PolarHBondContact O-N 2.84Å; C195-R198 PolarHBondContact O-N 2.84Å; C195-V199 WeakPolarHBondContact O-CB 3.4Å; C195-V199 WeakPolarHBondContact O-CG2 3.4Å; C195-V199 PolarHBondContact O-N 3.22Å
196G86.1Confident79.7Confident35 Ų35100.8 Ų100.836%0.36151%0.513SS..Hα-helixtrans-60.7-51.5173.600000112F192 I193 R198 V199 S200F192-G196 PolarHBondContact O-N 3.39Å; I193-G196 PolarHBondContact O-N 2.74Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.33Å; G196-V199 PolarHBondContact O-N 3.3Å; G196-S200 WeakPolarHBondContact O-CB 3.46Å; G196-S200 PolarHBondContact O-N 3.05Å; G196-S200 PolarHBondContact O-OG 3.18Å
197L83.9Confident78.7Confident100 Ų100102.6 Ų102.652%0.52452%0.522SS..Hα-helixtrans-59.1-41.6175.2-88163000112.5I193 S200 Q201I193-L197 HydrophobicContact CG2-CD1 4.09Å; I193-L197 WeakPolarHBondContact O-CB 3.48Å; I193-L197 PolarHBondContact O-N 2.86Å; L197-S200 PolarHBondContact O-N 3.03Å; L197-Q201 WeakPolarHBondContact O-CB 3.36Å; L197-Q201 VanDerWaalsContact O-CG 3.31Å; L197-Q201 WeakPolarHBondContact O-CG 3.38Å; L197-Q201 PolarHBondContact O-N 2.7Å
198R82.7Confident78.5Confident171 Ų171102.1 Ų102.165%0.64552%0.519SS*.Hα-helixtrans-69.4-39.6177.5-177.7173.7175.2164.9-0.1112.2L194 C195 G196 Q201 M202L194-R198 WeakPolarHBondContact O-CB 3.3Å; L194-R198 PolarHBondContact O-N 2.81Å; C195-R198 PolarHBondContact O-N 2.84Å; G196-R198 VanDerWaalsContact C-N 3.34Å; G196-R198 PolarHBondContact O-N 3.33Å; R198-Q201 PolarHBondContact O-N 3.16Å; R198-M202 HydrophobicContact CG-SD 4.2Å; R198-M202 WeakPolarHBondContact O-CB 3.27Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 2.9Å
199V82.8Confident78.1Confident100 Ų100104.5 Ų104.561%0.60653%0.529SS*.Hα-helixtrans-66.3-41.2173.7169.20000110.2C195 G196 M202 A203C195-V199 WeakPolarHBondContact O-CB 3.4Å; C195-V199 WeakPolarHBondContact O-CG2 3.4Å; C195-V199 PolarHBondContact O-N 3.22Å; G196-V199 PolarHBondContact O-N 3.3Å; V199-M202 PolarHBondContact O-N 3.44Å; V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.2Å
200S80.5Confident78Confident73 Ų73105.5 Ų105.551%0.5154%0.535SS..Hα-helixtrans-65.1-39.3172.9-76.30000112.7G196 L197 A203 Q204G196-S200 WeakPolarHBondContact O-CB 3.46Å; G196-S200 PolarHBondContact O-N 3.05Å; G196-S200 PolarHBondContact O-OG 3.18Å; L197-S200 PolarHBondContact O-N 3.03Å; S200-A203 PolarHBondContact O-N 2.68Å; S200-Q204 WeakPolarHBondContact O-CB 3.38Å; S200-Q204 PolarHBondContact O-N 2.99Å
201Q75.3Confident77.9Confident125 Ų125103.1 Ų103.158%0.58453%0.528SS*.Hα-helixtrans-67.5-42.8174.8-77.6176.33.200111.9L197 R198 Q204 T205L197-Q201 WeakPolarHBondContact O-CB 3.36Å; L197-Q201 VanDerWaalsContact O-CG 3.31Å; L197-Q201 WeakPolarHBondContact O-CG 3.38Å; L197-Q201 PolarHBondContact O-N 2.7Å; R198-Q201 PolarHBondContact O-N 3.16Å; Q201-Q204 PolarHBondContact O-N 3.35Å; Q201-T205 PolarHBondContact O-N 3.41Å; Q201-T205 PolarHBondContact O-OG1 3.36Å
202M65.2Low77.8Confident96 Ų9698.2 Ų98.247%0.47351%0.512SS..Hα-helixtrans-65.6-40.6174.9-70.8179.967.700111.3R198 V199 T205 Y206R198-M202 HydrophobicContact CG-SD 4.2Å; R198-M202 WeakPolarHBondContact O-CB 3.27Å; R198-M202 VanDerWaalsContact O-CG 3.28Å; R198-M202 WeakPolarHBondContact O-CG 3.47Å; R198-M202 PolarHBondContact O-N 2.9Å; V199-M202 PolarHBondContact O-N 3.44Å; M202-T205 WeakPolarHBondContact CA-OG1 3.14Å; M202-T205 PolarHBondContact O-N 3.26Å; M202-T205 PolarHBondContact O-OG1 3.4Å; M202-Y206 WeakPolarHBondContact O-CD2 3.4Å; M202-Y206 PolarHBondContact O-N 3.49Å
203A71.4Confident77.6Confident37 Ų3794.8 Ų94.831%0.30650%0.503SS..Hα-helixtrans-62.3-42.5171.300000111.4V199 S200 T205 Y206 E207V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.2Å; S200-A203 PolarHBondContact O-N 2.68Å; A203-T205 VanDerWaalsContact C-N 3.31Å; A203-T205 PolarHBondContact O-N 2.65Å; A203-Y206 CarbonylContact O-C 3.58Å; A203-Y206 VanDerWaalsContact O-CA 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.38Å; A203-Y206 WeakPolarHBondContact O-CB 3.44Å; A203-Y206 PolarHBondContact O-N 3.17Å; A203-E207 WeakPolarHBondContact O-CG 3.32Å; A203-E207 PolarHBondContact O-N 2.73Å
204Q66.9Low77.6Confident129 Ų12997.6 Ų97.660%0.60351%0.514SS*.Hα-helixtrans-67.6-30.5-179.9-166.31623200112.3S200 Q201 Y206 E207 D208S200-Q204 WeakPolarHBondContact O-CB 3.38Å; S200-Q204 PolarHBondContact O-N 2.99Å; Q201-Q204 PolarHBondContact O-N 3.35Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Q204-E207 PolarHBondContact O-N 2.75Å; Q204-D208 PolarHBondContact O-N 3.44Å
205T63.3Low77.7Confident94 Ų9496.9 Ų96.958%0.57751%0.51SS*.Hα-helixtrans-69.1-13.5166.553.30000114.1Q201 M202 A203 I212Q201-T205 PolarHBondContact O-N 3.41Å; Q201-T205 PolarHBondContact O-OG1 3.36Å; M202-T205 WeakPolarHBondContact CA-OG1 3.14Å; M202-T205 PolarHBondContact O-N 3.26Å; M202-T205 PolarHBondContact O-OG1 3.4Å; A203-T205 VanDerWaalsContact C-N 3.31Å; A203-T205 PolarHBondContact O-N 2.65Å; T205-I212 VanDerWaalsContact O-CD1 3.27Å; T205-I212 WeakPolarHBondContact O-CD1 3.42Å
206Y59.6Low77.9Confident160 Ų160100.2 Ų100.263%0.62752%0.524SS*.Hα-helixtrans-101.2-20.3169.7-63.4-59.9000113.7M202 A203 Q204 I212M202-Y206 WeakPolarHBondContact O-CD2 3.4Å; M202-Y206 PolarHBondContact O-N 3.49Å; A203-Y206 CarbonylContact O-C 3.58Å; A203-Y206 VanDerWaalsContact O-CA 3.28Å; A203-Y206 WeakPolarHBondContact O-CA 3.38Å; A203-Y206 WeakPolarHBondContact O-CB 3.44Å; A203-Y206 PolarHBondContact O-N 3.17Å; Q204-Y206 PolarHBondContact O-N 2.94Å; Y206-I212 HydrophobicContact CD1-CD1 3.79Å
207E64.5Low78.1Confident146 Ų146105.1 Ų105.168%0.68254%0.538SS*.Hα-helixtrans-75.8-23.8176.3-73.7177.7-177.300112.2A203 Q204 L209A203-E207 WeakPolarHBondContact O-CG 3.32Å; A203-E207 PolarHBondContact O-N 2.73Å; Q204-E207 PolarHBondContact O-N 2.75Å; E207-L209 PolarHBondContact O-N 3.28Å
208D76.9Confident78.4Confident90 Ų90105.2 Ų105.248%0.48154%0.536SS..  trans-75.263.3161.6-159.6-15.3000110.6Q204 D210 A211 I212Q204-D208 PolarHBondContact O-N 3.44Å; D208-D210 PolarHBondContact O-N 2.82Å; D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 PolarHBondContact O-N 3.05Å; D208-A211 WeakPolarHBondContact OD1-CB 3.35Å; D208-A211 PolarHBondContact OD1-N 3.21Å; D208-A211 WeakPolarHBondContact OD2-CB 3.43Å; D208-I212 PolarHBondContact O-N 3.16Å
209L75.6Confident78.9Confident108 Ų108101 Ų10157%0.56552%0.522SS*.Hα-helixtrans-60.8-32.1178.3-179.664.4000111.2E207 T213E207-L209 PolarHBondContact O-N 3.28Å; L209-T213 HydrophobicContact CD1-CG2 4.2Å; L209-T213 HydrophobicContact CG-CG2 4.43Å; L209-T213 WeakPolarHBondContact O-CB 3.39Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.96Å; L209-T213 PolarHBondContact O-OG1 3.01Å
210D83.7Confident79.3Confident124 Ų124100.9 Ų100.966%0.66352%0.515SS*.Hα-helixtrans-70.5-43.3179.4-64.8-19000110.4D208 T213 Q214D208-D210 PolarHBondContact O-N 2.82Å; D210-T213 WeakPolarHBondContact CA-OG1 3.31Å; D210-T213 PolarHBondContact O-N 2.88Å; D210-T213 PolarHBondContact O-OG1 3.17Å; D210-Q214 VanDerWaalsContact O-CB 3.27Å; D210-Q214 WeakPolarHBondContact O-CB 3.46Å; D210-Q214 PolarHBondContact O-N 2.85Å
211A83.4Confident79.9Confident43 Ų43101.1 Ų101.136%0.35551%0.514SS..Hα-helixtrans-65.6-39.7172.300000113D208 L215D208-A211 HydrophobicContact CB-CB 4.2Å; D208-A211 PolarHBondContact O-N 3.05Å; D208-A211 WeakPolarHBondContact OD1-CB 3.35Å; D208-A211 PolarHBondContact OD1-N 3.21Å; D208-A211 WeakPolarHBondContact OD2-CB 3.43Å; A211-L215 VanDerWaalsContact O-CB 3.25Å; A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 3.29Å
212I84.6Confident80.8Confident55 Ų5598.9 Ų98.928%0.28251%0.506SS..Hα-helixtrans-64.2-44.1175.2-75.5-176.4000111.3T205 Y206 D208 L215 L216T205-I212 VanDerWaalsContact O-CD1 3.27Å; T205-I212 WeakPolarHBondContact O-CD1 3.42Å; Y206-I212 HydrophobicContact CD1-CD1 3.79Å; D208-I212 PolarHBondContact O-N 3.16Å; I212-L215 PolarHBondContact O-N 3.41Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.87Å
213T85.5Confident82.1Confident66 Ų6699.8 Ų99.841%0.40551%0.512SS..Hα-helixtrans-70.1-39.8-179.349.30000111.7L209 D210 L215 L216 E217L209-T213 HydrophobicContact CD1-CG2 4.2Å; L209-T213 HydrophobicContact CG-CG2 4.43Å; L209-T213 WeakPolarHBondContact O-CB 3.39Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.96Å; L209-T213 PolarHBondContact O-OG1 3.01Å; D210-T213 WeakPolarHBondContact CA-OG1 3.31Å; D210-T213 PolarHBondContact O-N 2.88Å; D210-T213 PolarHBondContact O-OG1 3.17Å; T213-L215 PolarHBondContact O-N 2.84Å; T213-L216 PolarHBondContact O-N 3.29Å; T213-E217 WeakPolarHBondContact O-CB 3.39Å; T213-E217 PolarHBondContact O-N 3.44Å
214Q87.1Confident83.1Confident142 Ų142102.5 Ų102.566%0.66452%0.518SS*.Hα-helixtrans-61-42.6172.1-172.4175.83000111.9D210 L216 E217 E218D210-Q214 VanDerWaalsContact O-CB 3.27Å; D210-Q214 WeakPolarHBondContact O-CB 3.46Å; D210-Q214 PolarHBondContact O-N 2.85Å; Q214-L216 VanDerWaalsContact C-N 3.35Å; Q214-L216 PolarHBondContact O-N 2.97Å; Q214-E217 PolarHBondContact O-N 3.32Å; Q214-E218 WeakPolarHBondContact O-CB 3.2Å; Q214-E218 PolarHBondContact O-N 3.03Å
215L87.4Confident84.4Confident96 Ų96100.4 Ų100.450%0.50351%0.511SS..Hα-helixtrans-65.7-36.6176.1-17863.6000112A211 I212 T213 K219A211-L215 VanDerWaalsContact O-CB 3.25Å; A211-L215 WeakPolarHBondContact O-CB 3.3Å; A211-L215 PolarHBondContact O-N 3.29Å; I212-L215 PolarHBondContact O-N 3.41Å; T213-L215 PolarHBondContact O-N 2.84Å; L215-K219 WeakPolarHBondContact O-CB 3.3Å; L215-K219 VanDerWaalsContact O-CG 3.23Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.21Å
216L89.6Confident85.9Confident114 Ų11498.8 Ų98.860%0.59751%0.507SS*.Hα-helixtrans-69.5-36.3174.4-74.2169.7000112.3I212 T213 Q214 K219 Q220I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 HydrophobicContact CG2-CG 4.47Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 VanDerWaalsContact O-CG 3.3Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.87Å; T213-L216 PolarHBondContact O-N 3.29Å; Q214-L216 VanDerWaalsContact C-N 3.35Å; Q214-L216 PolarHBondContact O-N 2.97Å; L216-K219 PolarHBondContact O-N 3.42Å; L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 PolarHBondContact O-N 3.41Å
217E90.8Very high87.5Confident138 Ų13894.2 Ų94.265%0.64550%0.502SS*.Hα-helixtrans-68.9-41.3174.4-172.5168.8-152.400111.6T213 Q214 K219 Q220 T221T213-E217 WeakPolarHBondContact O-CB 3.39Å; T213-E217 PolarHBondContact O-N 3.44Å; Q214-E217 PolarHBondContact O-N 3.32Å; E217-K219 PolarHBondContact O-N 3.34Å; E217-Q220 PolarHBondContact O-N 2.92Å; E217-T221 PolarHBondContact O-N 2.97Å; E217-T221 PolarHBondContact O-OG1 3.11Å
218E89.1Confident88.9Confident102 Ų10293.5 Ų93.548%0.47750%0.497SS..Hα-helixtrans-60.6-43.7170.7-168.3-161-149.400111Q214 Q220 T221 D222Q214-E218 WeakPolarHBondContact O-CB 3.2Å; Q214-E218 PolarHBondContact O-N 3.03Å; E218-Q220 PolarHBondContact O-N 3.41Å; E218-T221 WeakPolarHBondContact CA-OG1 3.36Å; E218-T221 PolarHBondContact O-N 2.93Å; E218-T221 PolarHBondContact O-OG1 3.31Å; E218-D222 WeakPolarHBondContact O-CB 3.43Å; E218-D222 PolarHBondContact O-N 3.17Å
219K93.4Very high89.6Confident84 Ų8494.1 Ų94.137%0.36550%0.499SS..Hα-helixtrans-71-28.2177.3-67.8-65.7138.2-71.10113.4L215 L216 E217 D222 L223L215-K219 WeakPolarHBondContact O-CB 3.3Å; L215-K219 VanDerWaalsContact O-CG 3.23Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.21Å; L216-K219 PolarHBondContact O-N 3.42Å; E217-K219 PolarHBondContact O-N 3.34Å; K219-D222 WeakPolarHBondContact CE-OD2 3.43Å; K219-D222 IonicContact NZ-OD2 2.72Å; K219-D222 PolarHBondContact NZ-OD2 3.38Å; K219-L223 WeakPolarHBondContact O-CB 3.42Å; K219-L223 WeakPolarHBondContact O-CD1 3.41Å; K219-L223 VanDerWaalsContact O-CG 3.26Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.47Å; K219-L223 VanDerWaalsContact O-N 3.14Å
220Q91.8Very high90.5Very high96 Ų9690.4 Ų90.445%0.44949%0.487SS..Hα-helixtrans-69.9-42.9171.1177.559.827.100111.2L216 E217 E218 L223 E224L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 PolarHBondContact O-N 3.41Å; E217-Q220 PolarHBondContact O-N 2.92Å; E218-Q220 PolarHBondContact O-N 3.41Å; Q220-L223 PolarHBondContact O-N 3.01Å; Q220-E224 PolarHBondContact NE2-OE1 3.46Å; Q220-E224 WeakPolarHBondContact O-CG 3.47Å; Q220-E224 PolarHBondContact O-N 2.99Å
221T92.1Very high91Very high79 Ų7992.2 Ų92.249%0.48549%0.489SS..Hα-helixtrans-69.4-35.9177.251.40000112.5E217 E218 E224 L225E217-T221 PolarHBondContact O-N 2.97Å; E217-T221 PolarHBondContact O-OG1 3.11Å; E218-T221 WeakPolarHBondContact CA-OG1 3.36Å; E218-T221 PolarHBondContact O-N 2.93Å; E218-T221 PolarHBondContact O-OG1 3.31Å; T221-E224 PolarHBondContact O-N 2.95Å; T221-L225 VanDerWaalsContact O-CB 3.31Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 PolarHBondContact O-N 2.8Å
222D95.6Very high91.5Very high78 Ų7893 Ų9342%0.41749%0.487SS..Hα-helixtrans-55.3-48.4167-86-28.6000111.9E218 K219 L225 A226E218-D222 WeakPolarHBondContact O-CB 3.43Å; E218-D222 PolarHBondContact O-N 3.17Å; K219-D222 WeakPolarHBondContact CE-OD2 3.43Å; K219-D222 IonicContact NZ-OD2 2.72Å; K219-D222 PolarHBondContact NZ-OD2 3.38Å; D222-L225 PolarHBondContact O-N 2.86Å; D222-A226 WeakPolarHBondContact O-CB 3.17Å; D222-A226 PolarHBondContact O-N 3.16Å
223L92.4Very high91.9Very high115 Ų11595.2 Ų95.260%0.60250%0.499SS*.Hα-helixtrans-66.3-39.7-179.5-76.5168.5000112.1K219 Q220 A226 A227K219-L223 WeakPolarHBondContact O-CB 3.42Å; K219-L223 WeakPolarHBondContact O-CD1 3.41Å; K219-L223 VanDerWaalsContact O-CG 3.26Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 3.47Å; K219-L223 VanDerWaalsContact O-N 3.14Å; Q220-L223 PolarHBondContact O-N 3.01Å; L223-A226 PolarHBondContact O-N 3.08Å; L223-A227 WeakPolarHBondContact O-CB 3.43Å; L223-A227 PolarHBondContact O-N 2.92Å
224E92.6Very high92.3Very high93 Ų9398 Ų9844%0.43551%0.511SS..Hα-helixtrans-66.9-39174.2-74.3-176.4-155.200112.2Q220 T221 A227 K228Q220-E224 PolarHBondContact NE2-OE1 3.46Å; Q220-E224 WeakPolarHBondContact O-CG 3.47Å; Q220-E224 PolarHBondContact O-N 2.99Å; T221-E224 PolarHBondContact O-N 2.95Å; E224-A227 PolarHBondContact O-N 2.85Å; E224-K228 WeakPolarHBondContact O-CB 3.32Å; E224-K228 VanDerWaalsContact O-CG 3.26Å; E224-K228 WeakPolarHBondContact O-CG 3.41Å; E224-K228 PolarHBondContact O-N 2.94Å
225L93.5Very high92.5Very high86 Ų8694.1 Ų94.145%0.4550%0.502SS..Hα-helixtrans-65.2-45.5174.3-179.260000111.2T221 D222 A227 K228 I229T221-L225 VanDerWaalsContact O-CB 3.31Å; T221-L225 WeakPolarHBondContact O-CB 3.25Å; T221-L225 PolarHBondContact O-N 2.8Å; D222-L225 PolarHBondContact O-N 2.86Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 2.83Å; L225-K228 PolarHBondContact O-N 3.17Å; L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.24Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.18Å; L225-I229 PolarHBondContact O-N 2.97Å
226A93.9Very high92.9Very high60 Ų6094.4 Ų94.450%0.49650%0.5SS..Hα-helixtrans-60-40174.900000112D222 L223 G230D222-A226 WeakPolarHBondContact O-CB 3.17Å; D222-A226 PolarHBondContact O-N 3.16Å; L223-A226 PolarHBondContact O-N 3.08Å; A226-G230 PolarHBondContact O-N 3.18Å
227A93.2Very high93Very high64 Ų6492.3 Ų92.353%0.52949%0.489SS..Hα-helixtrans-67.4-40.8174.500000112.7L223 E224 L225 G230 K231L223-A227 WeakPolarHBondContact O-CB 3.43Å; L223-A227 PolarHBondContact O-N 2.92Å; E224-A227 PolarHBondContact O-N 2.85Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 2.83Å; A227-G230 PolarHBondContact O-N 3.2Å; A227-K231 WeakPolarHBondContact O-CB 3.3Å; A227-K231 PolarHBondContact O-N 2.86Å
228K95.3Very high93.2Very high131 Ų13191.6 Ų91.657%0.5749%0.486SS*.Hα-helixtrans-61.6-47.3173.6-75.5169.5-178.6178.40111.4E224 L225 K231 N232E224-K228 WeakPolarHBondContact O-CB 3.32Å; E224-K228 VanDerWaalsContact O-CG 3.26Å; E224-K228 WeakPolarHBondContact O-CG 3.41Å; E224-K228 PolarHBondContact O-N 2.94Å; L225-K228 PolarHBondContact O-N 3.17Å; K228-K231 PolarHBondContact O-N 2.7Å; K228-N232 WeakPolarHBondContact O-CB 3.17Å; K228-N232 PolarHBondContact O-N 3.03Å
229I91.5Very high93.4Very high102 Ų10290.1 Ų90.152%0.52348%0.481SS..Hα-helixtrans-62.1-47.5176.7-68.6168.1000110.4L225 K231 N232 L233L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.24Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 WeakPolarHBondContact O-CB 3.31Å; L225-I229 VanDerWaalsContact O-CG1 3.3Å; L225-I229 WeakPolarHBondContact O-CG1 3.18Å; L225-I229 PolarHBondContact O-N 2.97Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.3Å; I229-N232 PolarHBondContact O-N 3.45Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.35Å
230G94Very high93.4Very high30 Ų3090.2 Ų90.231%0.30949%0.485SS..Hα-helixtrans-58-43.2176.400000112.7A226 A227 L233 L234A226-G230 PolarHBondContact O-N 3.18Å; A227-G230 PolarHBondContact O-N 3.2Å; G230-L233 PolarHBondContact O-N 2.73Å; G230-L234 WeakPolarHBondContact O-CB 3.5Å; G230-L234 VanDerWaalsContact O-CG 3.28Å; G230-L234 WeakPolarHBondContact O-CG 3.32Å; G230-L234 PolarHBondContact O-N 2.96Å
231K93.3Very high93.6Very high163 Ų16391.2 Ų91.271%0.70949%0.49SS*.Hα-helixtrans-65-42.1174.6-173.5-178.6177.1-173.60112.3A227 K228 I229 L234 A235A227-K231 WeakPolarHBondContact O-CB 3.3Å; A227-K231 PolarHBondContact O-N 2.86Å; K228-K231 PolarHBondContact O-N 2.7Å; I229-K231 VanDerWaalsContact C-N 3.34Å; I229-K231 PolarHBondContact O-N 3.3Å; K231-L234 PolarHBondContact O-N 3.33Å; K231-A235 WeakPolarHBondContact O-CB 3.45Å; K231-A235 PolarHBondContact O-N 3.37Å
232N94.3Very high93.7Very high60 Ų6090.1 Ų90.132%0.32149%0.485SS..Hα-helixtrans-65.5-40.8177.7-169.6-95.3000111.7K228 I229 A235 K236K228-N232 WeakPolarHBondContact O-CB 3.17Å; K228-N232 PolarHBondContact O-N 3.03Å; I229-N232 PolarHBondContact O-N 3.45Å; N232-A235 PolarHBondContact O-N 2.85Å; N232-K236 WeakPolarHBondContact O-CB 3.48Å; N232-K236 WeakPolarHBondContact O-CG 3.35Å; N232-K236 PolarHBondContact O-N 3.49Å; N232-K236 WeakPolarHBondContact OD1-CD 3.46Å; N232-K236 WeakPolarHBondContact OD1-CE 3.32Å; N232-K236 PolarHBondContact OD1-NZ 2.91Å
233L94Very high93.7Very high100 Ų10090.2 Ų90.252%0.52448%0.48SS..Hα-helixtrans-66.7-42.3176.4-171.767.6000111.7I229 G230 K236 N237I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 3.35Å; G230-L233 PolarHBondContact O-N 2.73Å; L233-K236 PolarHBondContact O-N 3.18Å; L233-N237 WeakPolarHBondContact O-CB 3.25Å; L233-N237 PolarHBondContact O-N 3.41Å; L233-N237 PolarHBondContact O-ND2 3.42Å
234L92.8Very high93.7Very high126 Ų12689.6 Ų89.666%0.6648%0.477SS*.Hα-helixtrans-63.9-40.7173.8-74.1169.9000112.1G230 K231 N237 H238G230-L234 WeakPolarHBondContact O-CB 3.5Å; G230-L234 VanDerWaalsContact O-CG 3.28Å; G230-L234 WeakPolarHBondContact O-CG 3.32Å; G230-L234 PolarHBondContact O-N 2.96Å; K231-L234 PolarHBondContact O-N 3.33Å; L234-N237 PolarHBondContact O-N 2.92Å; L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.32Å
235A93.1Very high93.8Very high59 Ų5990.4 Ų90.449%0.48848%0.483SS..Hα-helixtrans-64.8-45.3175.500000112K231 N232 H238 D239K231-A235 WeakPolarHBondContact O-CB 3.45Å; K231-A235 PolarHBondContact O-N 3.37Å; N232-A235 PolarHBondContact O-N 2.85Å; A235-H238 PolarHBondContact O-N 3.02Å; A235-D239 PolarHBondContact O-N 3.18Å
236K95.1Very high93.9Very high103 Ų10390.4 Ų90.445%0.44848%0.481SS..Hα-helixtrans-61.7-42173.9-78.6171.4173.1161.10112.2N232 L233 H238 D239 L240N232-K236 WeakPolarHBondContact O-CB 3.48Å; N232-K236 WeakPolarHBondContact O-CG 3.35Å; N232-K236 PolarHBondContact O-N 3.49Å; N232-K236 WeakPolarHBondContact OD1-CD 3.46Å; N232-K236 WeakPolarHBondContact OD1-CE 3.32Å; N232-K236 PolarHBondContact OD1-NZ 2.91Å; L233-K236 PolarHBondContact O-N 3.18Å; K236-H238 VanDerWaalsContact C-N 3.28Å; K236-H238 PolarHBondContact O-N 2.82Å; K236-D239 PolarHBondContact O-N 2.99Å; K236-L240 WeakPolarHBondContact O-CB 3.24Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 3.26Å
237N91.4Very high93.8Very high70 Ų7091.4 Ų91.437%0.37448%0.481SS..Hα-helixtrans-64-34.2175-74.7-18.1000112L233 L234 Q241L233-N237 WeakPolarHBondContact O-CB 3.25Å; L233-N237 PolarHBondContact O-N 3.41Å; L233-N237 PolarHBondContact O-ND2 3.42Å; L234-N237 PolarHBondContact O-N 2.92Å; N237-Q241 VanDerWaalsContact O-CB 3.31Å; N237-Q241 WeakPolarHBondContact O-CB 3.42Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.25Å
238H94.4Very high93.9Very high123 Ų12392.9 Ų92.957%0.56948%0.477SS*.Hα-helixtrans-73.8-37.8175.7-170.343.8000112.9L234 A235 K236 S242L234-H238 WeakPolarHBondContact O-CB 3.36Å; L234-H238 PolarHBondContact O-N 3.32Å; A235-H238 PolarHBondContact O-N 3.02Å; K236-H238 VanDerWaalsContact C-N 3.28Å; K236-H238 PolarHBondContact O-N 2.82Å; H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.85Å; H238-S242 PolarHBondContact O-OG 3.42Å
239D94.7Very high93.9Very high70 Ų7092.3 Ų92.337%0.37448%0.475SS..Hα-helixtrans-60.7-51.1169.117563.8000111A235 K236 Q241 S242 R243 Q747A235-D239 PolarHBondContact O-N 3.18Å; K236-D239 PolarHBondContact O-N 2.99Å; D239-Q241 VanDerWaalsContact C-N 3.33Å; D239-Q241 PolarHBondContact O-N 3.46Å; D239-S242 PolarHBondContact O-N 3.47Å; D239-S242 VanDerWaalsContact O-N 3.08Å; D239-R243 WeakPolarHBondContact O-CB 3.43Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.49Å; D239-R243 WeakPolarHBondContact OD1-CD 3.25Å; D239-R243 VanDerWaalsContact OD2-CD 3.24Å; D239-R243 WeakPolarHBondContact OD2-CD 3.38Å; D239-Q747 PolarHBondContact OD2-NE2 3.2Å
240L93.6Very high94Very high87 Ų8790.4 Ų90.446%0.45547%0.466SS..Hα-helixtrans-59.4-41.5177.8-71.2172.7000112.1K236 L244K236-L240 WeakPolarHBondContact O-CB 3.24Å; K236-L240 VanDerWaalsContact O-CG 3.25Å; K236-L240 WeakPolarHBondContact O-CG 3.32Å; K236-L240 PolarHBondContact O-N 3.26Å; L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 PolarHBondContact O-N 3.07Å
241Q94.4Very high94Very high117 Ų11793.7 Ų93.755%0.54748%0.475SS..Hα-helixtrans-63.2-41.9172.8-77.9169.7300112.4N237 D239 L244 L245N237-Q241 VanDerWaalsContact O-CB 3.31Å; N237-Q241 WeakPolarHBondContact O-CB 3.42Å; N237-Q241 WeakPolarHBondContact O-CG 3.46Å; N237-Q241 PolarHBondContact O-N 3.25Å; D239-Q241 VanDerWaalsContact C-N 3.33Å; D239-Q241 PolarHBondContact O-N 3.46Å; Q241-L244 PolarHBondContact O-N 3.1Å; Q241-L245 WeakPolarHBondContact O-CB 3.49Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 3.13Å
242S94Very high94Very high56 Ų5690.4 Ų90.439%0.39247%0.466SS..Hα-helixtrans-67.3-41.7179.3-57.40000111.6H238 D239 L245 E246H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.85Å; H238-S242 PolarHBondContact O-OG 3.42Å; D239-S242 PolarHBondContact O-N 3.47Å; D239-S242 VanDerWaalsContact O-N 3.08Å; S242-L245 PolarHBondContact O-N 3.18Å; S242-E246 PolarHBondContact O-N 3.07Å
243R95.9Very high94Very high79 Ų7989.9 Ų89.930%0.29847%0.469SS..Hα-helixtrans-68.3-36.4175.4-68175.768.9-95.9-3.5111.9D239 E246 T247 Q747D239-R243 WeakPolarHBondContact O-CB 3.43Å; D239-R243 WeakPolarHBondContact O-CG 3.43Å; D239-R243 PolarHBondContact O-N 3.49Å; D239-R243 WeakPolarHBondContact OD1-CD 3.25Å; D239-R243 VanDerWaalsContact OD2-CD 3.24Å; D239-R243 WeakPolarHBondContact OD2-CD 3.38Å; R243-E246 PolarHBondContact O-N 2.94Å; R243-T247 WeakPolarHBondContact O-CG2 3.4Å; R243-T247 PolarHBondContact O-N 3.16Å; R243-T247 PolarHBondContact O-OG1 3.23Å; R243-Q747 VanDerWaalsContact CZ-CG 3.5Å; R243-Q747 VanDerWaalsContact CZ-OE1 3.23Å; R243-Q747 VanDerWaalsContact NE-CD 3.25Å
244L93.1Very high93.9Very high103 Ų10392.3 Ų92.354%0.53947%0.471SS..Hα-helixtrans-64.9-47.2173.1-172.6161.9000111.2L240 Q241 E246 T247 E248L240-L244 WeakPolarHBondContact O-CB 3.33Å; L240-L244 PolarHBondContact O-N 3.07Å; Q241-L244 PolarHBondContact O-N 3.1Å; L244-E246 VanDerWaalsContact C-N 3.29Å; L244-E246 PolarHBondContact O-N 2.87Å; L244-T247 PolarHBondContact O-N 3.48Å; L244-T247 PolarHBondContact O-OG1 3.24Å; L244-T247 VanDerWaalsContact O-OG1 3.05Å; L244-E248 VanDerWaalsContact O-CB 3.23Å; L244-E248 WeakPolarHBondContact O-CB 3.4Å; L244-E248 PolarHBondContact O-N 3.07Å
245L95Very high94.1Very high110 Ų11090.2 Ų90.258%0.57646%0.461SS*.Hα-helixtrans-61.1-37.7176-73.9168.7000112Q241 S242 K249Q241-L245 WeakPolarHBondContact O-CB 3.49Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.34Å; Q241-L245 PolarHBondContact O-N 3.13Å; S242-L245 PolarHBondContact O-N 3.18Å; L245-K249 WeakPolarHBondContact O-CB 3.47Å; L245-K249 PolarHBondContact O-N 3.45Å
246E94.8Very high94.2Very high85 Ų8594.4 Ų94.440%0.39747%0.47SS..Hα-helixtrans-74.4-36.5176.7-170.157.1-142.700112.2S242 R243 L244 K249 N250S242-E246 PolarHBondContact O-N 3.07Å; R243-E246 PolarHBondContact O-N 2.94Å; L244-E246 VanDerWaalsContact C-N 3.29Å; L244-E246 PolarHBondContact O-N 2.87Å; E246-K249 IonicContact OE1-NZ 3.39Å; E246-K249 PolarHBondContact OE1-NZ 3.21Å; E246-K249 IonicContact OE2-NZ 3.49Å; E246-K249 PolarHBondContact OE2-NZ 2.9Å; E246-N250 WeakPolarHBondContact O-CB 3.43Å; E246-N250 PolarHBondContact O-N 3.26Å; E246-N250 PolarHBondContact O-ND2 3.4Å; E246-N250 PolarHBondContact OE1-ND2 3.19Å
247T91.9Very high94.3Very high82 Ų8293.5 Ų93.550%0.50347%0.474SS..Hα-helixtrans-69.2-39.3172.654.20000112.1R243 L244 N250 L251R243-T247 WeakPolarHBondContact O-CG2 3.4Å; R243-T247 PolarHBondContact O-N 3.16Å; R243-T247 PolarHBondContact O-OG1 3.23Å; L244-T247 PolarHBondContact O-N 3.48Å; L244-T247 PolarHBondContact O-OG1 3.24Å; L244-T247 VanDerWaalsContact O-OG1 3.05Å; T247-N250 CarbonylContact O-C 3.43Å; T247-N250 PolarHBondContact O-N 2.88Å; T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.38Å
248E95.6Very high94.4Very high95 Ų9594.2 Ų94.244%0.44448%0.477SS..Hα-helixtrans-59.4-47.1172.7-178.3178.3-171.700111.1L244 N250 L251 N252L244-E248 VanDerWaalsContact O-CB 3.23Å; L244-E248 WeakPolarHBondContact O-CB 3.4Å; L244-E248 PolarHBondContact O-N 3.07Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 3.01Å; E248-L251 PolarHBondContact O-N 2.94Å; E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 3.4Å
249K94.6Very high94.4Very high119 Ų11992 Ų9252%0.51748%0.475SS..Hα-helixtrans-58.2-42.2172.6168.6166.8157.2-91.10112.5L245 E246 A253L245-K249 WeakPolarHBondContact O-CB 3.47Å; L245-K249 PolarHBondContact O-N 3.45Å; E246-K249 IonicContact OE1-NZ 3.39Å; E246-K249 PolarHBondContact OE1-NZ 3.21Å; E246-K249 IonicContact OE2-NZ 3.49Å; E246-K249 PolarHBondContact OE2-NZ 2.9Å; K249-A253 WeakPolarHBondContact O-CB 3.42Å; K249-A253 PolarHBondContact O-N 2.93Å
250N94.9Very high94.5Very high62 Ų6294.1 Ų94.133%0.33248%0.482SS..Hα-helixtrans-78-14.7177.5-77.3-71000114.4E246 T247 E248 R254E246-N250 WeakPolarHBondContact O-CB 3.43Å; E246-N250 PolarHBondContact O-N 3.26Å; E246-N250 PolarHBondContact O-ND2 3.4Å; E246-N250 PolarHBondContact OE1-ND2 3.19Å; T247-N250 CarbonylContact O-C 3.43Å; T247-N250 PolarHBondContact O-N 2.88Å; E248-N250 VanDerWaalsContact C-N 3.34Å; E248-N250 PolarHBondContact O-N 3.01Å; N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.37Å; N250-R254 PolarHBondContact O-NH1 2.98Å
251L92.2Very high94.5Very high99 Ų9994.5 Ų94.552%0.51848%0.484SS..Hα-helixtrans-78.6-54.1167-76.1167.5000109.4T247 E248 A253 R254 D255T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.38Å; E248-L251 PolarHBondContact O-N 2.94Å; L251-A253 VanDerWaalsContact C-N 3.26Å; L251-A253 PolarHBondContact O-N 3.39Å; L251-R254 CarbonylContact O-C 3.59Å; L251-R254 WeakPolarHBondContact O-CA 3.35Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 3.26Å; L251-D255 PolarHBondContact O-N 2.94Å
252N94.4Very high94.6Very high94 Ų9493.1 Ų93.150%0.50348%0.481SS..Hα-helixtrans-51.8-42.5176.6-74.6-61000112.7E248 R254 D255 E256E248-N252 PolarHBondContact O-N 3.06Å; E248-N252 PolarHBondContact O-ND2 3.4Å; N252-R254 PolarHBondContact O-N 3.44Å; N252-D255 PolarHBondContact O-N 2.85Å; N252-E256 PolarHBondContact O-N 2.89Å
253A94.3Very high94.6Very high48 Ų4895.8 Ų95.840%0.39749%0.487SS..Hα-helixtrans-66-32.5175.800000113.7K249 L251 V257K249-A253 WeakPolarHBondContact O-CB 3.42Å; K249-A253 PolarHBondContact O-N 2.93Å; L251-A253 VanDerWaalsContact C-N 3.26Å; L251-A253 PolarHBondContact O-N 3.39Å; A253-V257 WeakPolarHBondContact O-CG2 3.39Å; A253-V257 PolarHBondContact O-N 2.94Å
254R92.5Very high94.6Very high151 Ų15194.3 Ų94.357%0.5749%0.485SS*.Hα-helixtrans-74.6-38.6173.2-73.9179.2-176.9100.1-5.7111.4N250 L251 N252 E256 V257 I258N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.37Å; N250-R254 PolarHBondContact O-NH1 2.98Å; L251-R254 CarbonylContact O-C 3.59Å; L251-R254 WeakPolarHBondContact O-CA 3.35Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 3.26Å; N252-R254 PolarHBondContact O-N 3.44Å; R254-E256 VanDerWaalsContact C-N 3.34Å; R254-V257 PolarHBondContact O-N 3.44Å; R254-I258 WeakPolarHBondContact O-CB 3.3Å; R254-I258 VanDerWaalsContact O-CG1 3.27Å; R254-I258 WeakPolarHBondContact O-CG1 3.22Å; R254-I258 PolarHBondContact O-N 3.21Å
255D96.5Very high94.6Very high82 Ų8294.8 Ų94.844%0.43949%0.487SS..Hα-helixtrans-67.4-33.8178-67.3-34.4000112L251 N252 S259L251-D255 PolarHBondContact O-N 2.94Å; N252-D255 PolarHBondContact O-N 2.85Å; D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 2.96Å
256E95.5Very high94.5Very high147 Ų14793.1 Ų93.169%0.68748%0.482SS*.Hα-helixtrans-63.3-46.1168.7-174.4174.3-164.600111.5N252 R254 I258 S259 Q260N252-E256 PolarHBondContact O-N 2.89Å; R254-E256 VanDerWaalsContact C-N 3.34Å; E256-I258 PolarHBondContact O-N 3.18Å; E256-S259 PolarHBondContact O-N 3.5Å; E256-Q260 WeakPolarHBondContact O-CB 3.17Å; E256-Q260 PolarHBondContact O-N 3.32Å
257V95.9Very high94.5Very high85 Ų8592.5 Ų92.552%0.51548%0.484SS..Hα-helixtrans-63.6-41.1176.3170.20000111.9A253 R254 Q260 L261A253-V257 WeakPolarHBondContact O-CG2 3.39Å; A253-V257 PolarHBondContact O-N 2.94Å; R254-V257 PolarHBondContact O-N 3.44Å; V257-Q260 PolarHBondContact O-N 3.43Å; V257-L261 HydrophobicContact CG1-CD1 3.95Å; V257-L261 HydrophobicContact CG1-CG 4.4Å; V257-L261 WeakPolarHBondContact O-CB 3.34Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.39Å
258I94.9Very high94.7Very high85 Ų8592.9 Ų92.944%0.43648%0.478SS..Hα-helixtrans-64.1-44.9175.4-71163.7000110.2R254 E256 Q260 L261 N262R254-I258 WeakPolarHBondContact O-CB 3.3Å; R254-I258 VanDerWaalsContact O-CG1 3.27Å; R254-I258 WeakPolarHBondContact O-CG1 3.22Å; R254-I258 PolarHBondContact O-N 3.21Å; E256-I258 PolarHBondContact O-N 3.18Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.85Å; I258-L261 PolarHBondContact O-N 2.98Å; I258-N262 WeakPolarHBondContact O-CB 3.42Å; I258-N262 VanDerWaalsContact O-CG 3.25Å; I258-N262 PolarHBondContact O-N 3.23Å; I258-N262 PolarHBondContact O-ND2 2.85Å
259S93.9Very high94.6Very high76 Ų7692.1 Ų92.153%0.53148%0.477SS..Hα-helixtrans-60.6-43.8176.4-61.90000111.7D255 E256 N262 H263D255-S259 VanDerWaalsContact O-CB 3.24Å; D255-S259 WeakPolarHBondContact O-CB 3.37Å; D255-S259 PolarHBondContact O-N 3.45Å; D255-S259 PolarHBondContact O-OG 2.96Å; E256-S259 PolarHBondContact O-N 3.5Å; S259-N262 PolarHBondContact O-N 3.43Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.97Å
260Q96Very high94.4Very high114 Ų11489.6 Ų89.653%0.53347%0.47SS..Hα-helixtrans-68-39.9177.5179.461.6-8.400112.2E256 V257 I258 N264E256-Q260 WeakPolarHBondContact O-CB 3.17Å; E256-Q260 PolarHBondContact O-N 3.32Å; V257-Q260 PolarHBondContact O-N 3.43Å; I258-Q260 VanDerWaalsContact C-N 3.35Å; I258-Q260 PolarHBondContact O-N 2.85Å; Q260-N264 PolarHBondContact NE2-ND2 3.47Å; Q260-N264 WeakPolarHBondContact O-CB 3.34Å; Q260-N264 PolarHBondContact O-N 2.9Å; Q260-N264 PolarHBondContact O-ND2 3.49Å
261L95.1Very high94.2Very high95 Ų9590.9 Ų90.950%0.49748%0.476SS..Hα-helixtrans-65.6-43.3174.5-76.1172.4000111.6V257 I258 N264 L265V257-L261 HydrophobicContact CG1-CD1 3.95Å; V257-L261 HydrophobicContact CG1-CG 4.4Å; V257-L261 WeakPolarHBondContact O-CB 3.34Å; V257-L261 VanDerWaalsContact O-CG 3.29Å; V257-L261 WeakPolarHBondContact O-CG 3.36Å; V257-L261 PolarHBondContact O-N 3.39Å; I258-L261 PolarHBondContact O-N 2.98Å; L261-N264 PolarHBondContact O-N 3.48Å; L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 PolarHBondContact O-N 3.04Å
262N95Very high93.9Very high89 Ų8991 Ų9148%0.47648%0.477SS..Hα-helixtrans-60.8-46.9175.1-75.6-25.6000111.3I258 S259 N264 L265 T266I258-N262 WeakPolarHBondContact O-CB 3.42Å; I258-N262 VanDerWaalsContact O-CG 3.25Å; I258-N262 PolarHBondContact O-N 3.23Å; I258-N262 PolarHBondContact O-ND2 2.85Å; S259-N262 PolarHBondContact O-N 3.43Å; N262-N264 PolarHBondContact O-N 3.11Å; N262-L265 PolarHBondContact O-N 2.94Å; N262-L265 VanDerWaalsContact O-N 3.13Å; N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.06Å; N262-T266 VanDerWaalsContact O-OG1 3.07Å
263H95.3Very high93.5Very high112 Ų11292.7 Ų92.752%0.51948%0.476SS..Hα-helixtrans-57.2-46.8174.4177.864.8000112S259 L265 T266 V267S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.97Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.44Å; H263-T266 PolarHBondContact O-N 3.25Å; H263-V267 WeakPolarHBondContact O-CG2 3.35Å; H263-V267 PolarHBondContact O-N 3.15Å
264N95.6Very high93.1Very high48 Ų4894.7 Ų94.726%0.25748%0.479SS..Hα-helixtrans-63.8-32.2176.8-84.8-89.4000113.1Q260 L261 N262 K268Q260-N264 PolarHBondContact NE2-ND2 3.47Å; Q260-N264 WeakPolarHBondContact O-CB 3.34Å; Q260-N264 PolarHBondContact O-N 2.9Å; Q260-N264 PolarHBondContact O-ND2 3.49Å; L261-N264 PolarHBondContact O-N 3.48Å; N262-N264 PolarHBondContact O-N 3.11Å; N264-K268 WeakPolarHBondContact O-CD 3.45Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.41Å; N264-K268 PolarHBondContact O-N 3.47Å
265L92.2Very high92.6Very high112 Ų11293.4 Ų93.459%0.58648%0.478SS*.Hα-helixtrans-71.6-48175.1-156.1167.3000110.1L261 N262 H263 V267 K268 D269L261-L265 WeakPolarHBondContact O-CB 3.29Å; L261-L265 PolarHBondContact O-N 3.04Å; N262-L265 PolarHBondContact O-N 2.94Å; N262-L265 VanDerWaalsContact O-N 3.13Å; H263-L265 VanDerWaalsContact C-N 3.29Å; H263-L265 PolarHBondContact O-N 3.44Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.05Å; L265-K268 PolarHBondContact O-N 2.92Å; L265-K268 VanDerWaalsContact O-N 3.1Å; L265-D269 WeakPolarHBondContact O-CB 3.46Å; L265-D269 PolarHBondContact O-N 3.36Å
266T94.1Very high91.8Very high76 Ų7694.5 Ų94.547%0.46648%0.483SS..Hα-helixtrans-58.3-40.2175.1-55.50000112.6N262 H263 D269 N270N262-T266 PolarHBondContact O-N 2.89Å; N262-T266 PolarHBondContact O-OG1 3.06Å; N262-T266 VanDerWaalsContact O-OG1 3.07Å; H263-T266 PolarHBondContact O-N 3.25Å; T266-D269 PolarHBondContact O-N 3.4Å; T266-N270 WeakPolarHBondContact O-CB 3.35Å; T266-N270 PolarHBondContact O-N 3.17Å; T266-N270 PolarHBondContact O-ND2 2.86Å
267V94.7Very high91Very high71 Ų7195.7 Ų95.743%0.4348%0.481SS..Hα-helixtrans-63.6-42.3174.8169.10000111.3H263 L265 L271H263-V267 WeakPolarHBondContact O-CG2 3.35Å; H263-V267 PolarHBondContact O-N 3.15Å; L265-V267 VanDerWaalsContact C-N 3.32Å; L265-V267 PolarHBondContact O-N 3.05Å; V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 PolarHBondContact O-N 3.13Å
268K94.6Very high90Very high91 Ų9195.2 Ų95.240%0.39648%0.476SS..Hα-helixtrans-68.8-39.5177.1-72.6167.2-171.11700112.5N264 L265 L271 L272 H1035N264-K268 WeakPolarHBondContact O-CD 3.45Å; N264-K268 VanDerWaalsContact O-CG 3.26Å; N264-K268 WeakPolarHBondContact O-CG 3.41Å; N264-K268 PolarHBondContact O-N 3.47Å; L265-K268 PolarHBondContact O-N 2.92Å; L265-K268 VanDerWaalsContact O-N 3.1Å; K268-L271 PolarHBondContact O-N 2.75Å; K268-L272 WeakPolarHBondContact O-CB 3.3Å; K268-L272 VanDerWaalsContact O-CG 3.31Å; K268-L272 WeakPolarHBondContact O-CG 3.41Å; K268-L272 PolarHBondContact O-N 3.49Å; K268-H1035 PolarHBondContact NZ-CD2 2.83Å; K268-H1035 VanDerWaalsContact NZ-CD2 3.34Å; K268-H1035 PolarHBondContact NZ-CE1 3.28Å; K268-H1035 VanDerWaalsContact NZ-CE1 3.32Å; K268-H1035 PolarHBondContact NZ-NE2 3.03Å
269D93.8Very high88.8Confident78 Ų7894.4 Ų94.442%0.41748%0.478SS..Hα-helixtrans-66.1-42.9176.7-17265.3000111.7L265 T266 L271 L272 R273L265-D269 WeakPolarHBondContact O-CB 3.46Å; L265-D269 PolarHBondContact O-N 3.36Å; T266-D269 PolarHBondContact O-N 3.4Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.36Å; D269-L272 PolarHBondContact O-N 3.48Å; D269-R273 WeakPolarHBondContact O-CB 3.25Å; D269-R273 PolarHBondContact O-N 2.84Å; D269-R273 IonicContact OD2-CZ 3.72Å; D269-R273 IonicContact OD2-NH2 2.66Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å
270N91.1Very high87.1Confident67 Ų6794.8 Ų94.836%0.35847%0.474SS..Hα-helixtrans-60.1-40.5171.8-73.3-26.1000112.3T266 R273 I274T266-N270 WeakPolarHBondContact O-CB 3.35Å; T266-N270 PolarHBondContact O-N 3.17Å; T266-N270 PolarHBondContact O-ND2 2.86Å; N270-R273 PolarHBondContact O-N 2.91Å; N270-R273 PolarHBondContact OD1-NH1 3.42Å; N270-R273 PolarHBondContact OD1-NH2 2.8Å; N270-I274 WeakPolarHBondContact O-CG1 3.47Å; N270-I274 PolarHBondContact O-N 3.05Å
271L90.3Very high85.3Confident88 Ų8894.5 Ų94.546%0.46147%0.472SS..Hα-helixtrans-69.1-40.8177.1-177.961.4000112.4V267 K268 D269 R273 I274 F275V267-L271 WeakPolarHBondContact O-CB 3.41Å; V267-L271 PolarHBondContact O-N 3.13Å; K268-L271 PolarHBondContact O-N 2.75Å; D269-L271 VanDerWaalsContact C-N 3.32Å; D269-L271 PolarHBondContact O-N 3.36Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 2.83Å; L271-I274 WeakPolarHBondContact O-CB 3.48Å; L271-I274 PolarHBondContact O-N 3.17Å; L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE2 3.68Å; L271-F275 HydrophobicContact CD1-CZ 4.43Å; L271-F275 HydrophobicContact CD2-CE2 4.15Å; L271-F275 HydrophobicContact CG-CD2 3.94Å; L271-F275 HydrophobicContact CG-CE2 3.69Å; L271-F275 WeakPolarHBondContact O-CD2 3.35Å; L271-F275 PolarHBondContact O-N 3.01Å
272L86.1Confident83.5Confident103 Ų10396 Ų9654%0.53948%0.48SS..Hα-helixtrans-62-39173.3-74.1169000111.5K268 D269 I274 F275 L276K268-L272 WeakPolarHBondContact O-CB 3.3Å; K268-L272 VanDerWaalsContact O-CG 3.31Å; K268-L272 WeakPolarHBondContact O-CG 3.41Å; K268-L272 PolarHBondContact O-N 3.49Å; D269-L272 PolarHBondContact O-N 3.48Å; L272-I274 VanDerWaalsContact C-N 3.27Å; L272-I274 PolarHBondContact O-N 2.66Å; L272-F275 PolarHBondContact O-N 2.84Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.33Å; L272-L276 PolarHBondContact O-N 2.91Å
273R86.5Confident81.5Confident128 Ų12896.3 Ų96.348%0.48349%0.485SS..Hα-helixtrans-66-28.1176.3-149.9-178.5-47.8111.16.1113.1D269 N270 L271 R277D269-R273 WeakPolarHBondContact O-CB 3.25Å; D269-R273 PolarHBondContact O-N 2.84Å; D269-R273 IonicContact OD2-CZ 3.72Å; D269-R273 IonicContact OD2-NH2 2.66Å; D269-R273 PolarHBondContact OD2-NH2 2.85Å; N270-R273 PolarHBondContact O-N 2.91Å; N270-R273 PolarHBondContact OD1-NH1 3.42Å; N270-R273 PolarHBondContact OD1-NH2 2.8Å; L271-R273 VanDerWaalsContact C-N 3.3Å; L271-R273 PolarHBondContact O-N 2.83Å; R273-R277 WeakPolarHBondContact O-CB 3.49Å; R273-R277 PolarHBondContact O-N 3.37Å
274I85.4Confident79.7Confident90 Ų9097.5 Ų97.546%0.46250%0.495SS..Hα-helixtrans-71.6-52.4169.8-66.6164.1000109.7N270 L271 L272 L276 R277 D278N270-I274 WeakPolarHBondContact O-CG1 3.47Å; N270-I274 PolarHBondContact O-N 3.05Å; L271-I274 WeakPolarHBondContact O-CB 3.48Å; L271-I274 PolarHBondContact O-N 3.17Å; L272-I274 VanDerWaalsContact C-N 3.27Å; L272-I274 PolarHBondContact O-N 2.66Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.03Å; I274-R277 PolarHBondContact O-N 3.21Å; I274-R277 VanDerWaalsContact O-N 3.11Å; I274-D278 WeakPolarHBondContact CG2-OD2 3.48Å; I274-D278 WeakPolarHBondContact O-CB 3.26Å; I274-D278 VanDerWaalsContact O-CG 3.32Å; I274-D278 PolarHBondContact O-N 2.97Å
275F81.8Confident77.8Confident124 Ų124101.3 Ų101.354%0.54451%0.514SS..Hα-helixtrans-60.5-33.4179.6-79.1-60.2000114.3L271 L272 S279L271-F275 HydrophobicContact CD1-CD2 4.1Å; L271-F275 HydrophobicContact CD1-CE2 3.68Å; L271-F275 HydrophobicContact CD1-CZ 4.43Å; L271-F275 HydrophobicContact CD2-CE2 4.15Å; L271-F275 HydrophobicContact CG-CD2 3.94Å; L271-F275 HydrophobicContact CG-CE2 3.69Å; L271-F275 WeakPolarHBondContact O-CD2 3.35Å; L271-F275 PolarHBondContact O-N 3.01Å; L272-F275 PolarHBondContact O-N 2.84Å; F275-S279 WeakPolarHBondContact O-CB 3.48Å; F275-S279 PolarHBondContact O-N 3.13Å; F275-S279 PolarHBondContact O-OG 2.99Å
276L80.2Confident75.8Confident105 Ų105101.7 Ų101.755%0.5552%0.517SS..Hα-helixtrans-63.5-56.7170.5-78.3160.8000110.2L272 I274 D278 S279 D280L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.33Å; L272-L276 PolarHBondContact O-N 2.91Å; I274-L276 VanDerWaalsContact C-N 3.29Å; I274-L276 PolarHBondContact O-N 3.03Å; L276-D278 PolarHBondContact O-N 2.87Å; L276-D278 VanDerWaalsContact O-N 3.15Å; L276-S279 CarbonylContact O-C 3.57Å; L276-S279 WeakPolarHBondContact O-CA 3.48Å; L276-S279 WeakPolarHBondContact O-CB 3.43Å; L276-S279 PolarHBondContact O-N 2.96Å; L276-D280 PolarHBondContact O-N 2.9Å
277R78.4Confident73.4Confident172 Ų172105 Ų10565%0.64953%0.532SS*.Hα-helixtrans-56.5-34.1179-172.6-178.6-179.7-165.2-1.1113.7R273 I274 Q281R273-R277 WeakPolarHBondContact O-CB 3.49Å; R273-R277 PolarHBondContact O-N 3.37Å; I274-R277 PolarHBondContact O-N 3.21Å; I274-R277 VanDerWaalsContact O-N 3.11Å; R277-Q281 WeakPolarHBondContact O-CG 3.31Å; R277-Q281 PolarHBondContact O-N 3.12Å; R277-Q281 PolarHBondContact O-NE2 3.21Å
278D75.8Confident71.2Confident76 Ų76110 Ų11041%0.40656%0.556SS.*Hα-helixtrans-78-25.6176.9-66.5-16.1000112.4I274 L276 I282I274-D278 WeakPolarHBondContact CG2-OD2 3.48Å; I274-D278 WeakPolarHBondContact O-CB 3.26Å; I274-D278 VanDerWaalsContact O-CG 3.32Å; I274-D278 PolarHBondContact O-N 2.97Å; L276-D278 PolarHBondContact O-N 2.87Å; L276-D278 VanDerWaalsContact O-N 3.15Å; D278-I282 WeakPolarHBondContact O-CD1 3.26Å; D278-I282 WeakPolarHBondContact O-CG1 3.27Å
279S68Low68.8Low67 Ų67113.9 Ų113.947%0.46958%0.576SS.*Hα-helixtrans-77.5-42.8171.3-57.40000111.5F275 L276 Q281 I282 T283F275-S279 WeakPolarHBondContact O-CB 3.48Å; F275-S279 PolarHBondContact O-N 3.13Å; F275-S279 PolarHBondContact O-OG 2.99Å; L276-S279 CarbonylContact O-C 3.57Å; L276-S279 WeakPolarHBondContact O-CA 3.48Å; L276-S279 WeakPolarHBondContact O-CB 3.43Å; L276-S279 PolarHBondContact O-N 2.96Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 2.88Å; S279-I282 WeakPolarHBondContact O-CA 3.4Å; S279-I282 WeakPolarHBondContact O-CB 3.28Å; S279-I282 PolarHBondContact O-N 3.48Å; S279-T283 PolarHBondContact O-N 2.85Å
280D59.5Low66.3Low84 Ų84114.6 Ų114.645%0.44958%0.583SS.*Hα-helixtrans-60.3-42.2179.6-57.8-26000110.6L276 I282 T283 D284L276-D280 PolarHBondContact O-N 2.9Å; D280-I282 PolarHBondContact O-N 3.4Å; D280-I282 VanDerWaalsContact O-N 3.12Å; D280-T283 WeakPolarHBondContact CA-OG1 3.47Å; D280-T283 PolarHBondContact O-N 2.85Å; D280-T283 PolarHBondContact O-OG1 3Å; D280-D284 PolarHBondContact O-N 3.11Å
281Q56.9Low64Low108 Ų108117 Ų11751%0.50561%0.605SS.*Hα-helixtrans-63-13.7172.9-80.7171.1105.800114.8R277 S279R277-Q281 WeakPolarHBondContact O-CG 3.31Å; R277-Q281 PolarHBondContact O-N 3.12Å; R277-Q281 PolarHBondContact O-NE2 3.21Å; S279-Q281 VanDerWaalsContact C-N 3.31Å; S279-Q281 PolarHBondContact O-N 2.88Å
282I57.5Low61.5Low127 Ų127118.7 Ų118.765%0.65162%0.618SS**Hα-helixtrans-96.9-23.5175.4-65.4169.4000110.8D278 S279 D280D278-I282 WeakPolarHBondContact O-CD1 3.26Å; D278-I282 WeakPolarHBondContact O-CG1 3.27Å; S279-I282 WeakPolarHBondContact O-CA 3.4Å; S279-I282 WeakPolarHBondContact O-CB 3.28Å; S279-I282 PolarHBondContact O-N 3.48Å; D280-I282 PolarHBondContact O-N 3.4Å; D280-I282 VanDerWaalsContact O-N 3.12Å
283T54.4Low59Low95 Ų95120.8 Ų120.858%0.58363%0.629SS**Hα-helixtrans-82.8-26.8177.845.60000114.4S279 D280 I285S279-T283 PolarHBondContact O-N 2.85Å; D280-T283 WeakPolarHBondContact CA-OG1 3.47Å; D280-T283 PolarHBondContact O-N 2.85Å; D280-T283 PolarHBondContact O-OG1 3Å; T283-I285 PolarHBondContact O-N 2.98Å
284D56.4Low56.6Low138 Ų138120.4 Ų120.474%0.73865%0.646SS**THydrogen-bonded Turntrans-67.416.9-176.5-73.5-12000115.8D280D280-D284 PolarHBondContact O-N 3.11Å
285I57.1Low54.5Low127 Ų127121.9 Ų121.965%0.65167%0.665SS**THydrogen-bonded Turntrans-117.3-16.6-168.9-67.7179.5000114.4T283T283-I285 PolarHBondContact O-N 2.98Å
286N48.3Very low52.2Low120 Ų120119.2 Ų119.264%0.64267%0.672SS**SBendtrans-128.4106.3-175.1-53.3-89.2000113.8
287D45.2Very low50.2Low147 Ų147126.2 Ų126.279%0.78669%0.691SS**  trans59.6121.5136.2-54.4-42000122.1E289D287-E289 PolarHBondContact O-N 3.28Å; D287-E289 VanDerWaalsContact O-N 3.07Å
288D48.7Very low48.1Very low174 Ų174121.8 Ų121.893%0.9369%0.691SS**SBendtrans-64.189.2162.5-62.1-86000112.9
289E43.9Very low46.1Very low174 Ų174124 Ų12481%0.81371%0.713SS**  trans-158.6162.3159.5-101.4-104.2123.700111.9D287D287-E289 PolarHBondContact O-N 3.28Å; D287-E289 VanDerWaalsContact O-N 3.07Å
290V40.9Very low44.8Very low93 Ų93126.4 Ų126.456%0.56473%0.727SS**  trans57.981.9174.4-165.30000116.4V292V290-V292 VanDerWaalsContact CG1-O 3.28Å; V290-V292 WeakPolarHBondContact CG1-O 3.4Å
291S43Very low43.6Very low118 Ų118129 Ų12983%0.82575%0.745SS**SBendtrans-65.6142.5132.1-75.60000109.3
292V38.2Very low42.6Very low122 Ų122134.8 Ų134.874%0.73976%0.763SS**SBendtrans81103.1176.1-172.90000115.9V290V290-V292 VanDerWaalsContact CG1-O 3.28Å; V290-V292 WeakPolarHBondContact CG1-O 3.4Å
293L33.4Very low41.5Very low148 Ų148134.3 Ų134.378%0.77577%0.771SS**  trans81.8147.1164.9-59.4165.1000119.1
294S36.1Very low40.9Very low119 Ų119138.9 Ų138.983%0.83279%0.785SS**  trans86.7152.5162.4-53.70000118.4
295S40.2Very low39.9Very low122 Ų122142.1 Ų142.185%0.85380%0.796SS**  cis-172.2158.7-28.7-172.40000110.9
296G34.6Very low38.8Very low68 Ų68139.2 Ų139.270%0.70180%0.798SS**  trans120.8142.7162.700000114
297R36.9Very low38.1Very low251 Ų251141.5 Ų141.595%0.94781%0.809SS**SBendcis-158.1145.53.2-139.9176.3165.8174.3-5.1106
298A35.4Very low37.4Very low79 Ų79139.4 Ų139.465%0.65381%0.806SS**  cis-150.8147.410.500000112.3
299S33.6Very low36.7Very low124 Ų124136.9 Ų136.987%0.86780%0.802SS**  trans-165.7110.9158.2-83.10000108.9
300P40.3Very low36.5Very low116 Ų116134.3 Ų134.375%0.75380%0.803SS**  trans-95.6143.3-173.1-0.620.6000113.8
301V35Very low36.2Very low139 Ų139134.9 Ų134.984%0.84282%0.817SS**  trans70.7137.7141.9171.60000117.7
302R35.2Very low35.9Very low230 Ų230133 Ų13387%0.86882%0.816SS**  cis-170.9111.3-20174.1177.8-178169.8-0.3107.3
303S33.9Very low35.9Very low117 Ų117131.3 Ų131.382%0.81882%0.824SS**  trans-12697.3-177.743.50000112.3
304Q41.5Very low36.1Very low191 Ų191127.9 Ų127.989%0.89383%0.825SS**  trans-140.9117.9159.8-73.4-167.7-11.900109.5
305Q36.3Very low36.4Very low205 Ų205130.6 Ų130.696%0.95883%0.83SS**  trans-80131.5161.3-70.1171.6-37.900107.6
306G34Very low36.2Very low67 Ų67127.6 Ų127.669%0.69182%0.818SS**  trans-171.591.4-175.500000113.8
307L33.7Very low36.6Very low167 Ų167134 Ų13487%0.87483%0.827SS**  trans64.5119.7153.5-54.1174.5000119.2
308S31.3Very low36.8Very low104 Ų104127 Ų12773%0.72782%0.816SS**  trans69.899.1133-55.20000121.2
309S33.1Very low37.2Very low121 Ų121131 Ų13185%0.84683%0.826SS**  71.4172.2128.6760000120.7
310S39.4Very low38.1Very low120 Ų120130.4 Ų130.484%0.83982%0.822SS**  trans71.1106.5-178.5-152.70000117
311A35.1Very low38.5Very low104 Ų104130 Ų13086%0.8682%0.822SS**  trans-77.9157.6169.200000111.9
312G36.8Very low39.4Very low78 Ų78127.8 Ų127.880%0.80481%0.808SS**  trans155.2128.5162.200000114.7
313G38.6Very low40.6Very low87 Ų87122.4 Ų122.490%0.89780%0.797SS**  trans75.8119.3167.300000115.3
314G36.4Very low42.7Very low77 Ų77124.1 Ų124.179%0.79479%0.79SS**  trans-115.6171.3154.900000109.2
315D42.8Very low44.6Very low175 Ų175118.6 Ų118.694%0.93678%0.776SS**  trans-153.7170.3132.3-136.8-33.6000111.4
316G36.8Very low46.7Very low59 Ų59114.8 Ų114.861%0.60876%0.759SS**  trans-72.4142.9-154.100000118.5
317F41.8Very low49.2Very low204 Ų204116.7 Ų116.790%0.89575%0.752SS**  trans-129.4116.1144.7-94-84.5000108.8L319F317-L319 PolarHBondContact O-N 3.25Å
318S41.1Very low51.8Low103 Ų103113.7 Ų113.772%0.7273%0.734SS**  trans-76.9111.6-172.8-58.30000112.7S320S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 VanDerWaalsContact O-N 3.13Å
319L45.3Very low54.7Low162 Ų162114.7 Ų114.785%0.84873%0.725SS**G310 helixtrans-70.8-0.2179.5-69.7166.5000115F317 S321F317-L319 PolarHBondContact O-N 3.25Å; L319-S321 PolarHBondContact O-N 3.44Å
320S51.1Low57.6Low112 Ų112114.9 Ų114.978%0.78371%0.711SS**G310 helixtrans-78.4-9-171.748.90000115.7S318S318-S320 PolarHBondContact O-N 2.91Å; S318-S320 VanDerWaalsContact O-N 3.13Å
321S49Very low60.1Low108 Ų108113.3 Ų113.376%0.75569%0.693SS**G310 helixtrans-90.5-1.7-177.5-168.50000114.7L319 N323L319-S321 PolarHBondContact O-N 3.44Å; S321-N323 PolarHBondContact O-N 3.48Å
322V55.3Low62.9Low92 Ų92109.9 Ų109.956%0.55867%0.667SS**SBendtrans-81.4109.2174.3-175.60000108.4F324 L327V322-F324 PolarHBondContact O-N 3.03Å; V322-L327 HydrophobicContact CG1-CD1 3.57Å; V322-L327 HydrophobicContact CG1-CG 4.02Å
323N59.7Low65.7Low117 Ų117109.6 Ų109.663%0.62665%0.647SS**  trans-58.3101.2179.8-86.6-30.8000111.1S321 A325 Q326 L327S321-N323 PolarHBondContact O-N 3.48Å; N323-A325 PolarHBondContact O-N 3.31Å; N323-Q326 HydrophobicContact CB-CB 3.66Å; N323-Q326 WeakPolarHBondContact O-CA 3.41Å; N323-Q326 WeakPolarHBondContact O-CB 3.49Å; N323-Q326 PolarHBondContact O-N 2.87Å; N323-L327 PolarHBondContact O-N 3.17Å
324F76.7Confident68.4Low154 Ų154109.4 Ų109.468%0.67563%0.625SS**Hα-helixtrans-51.3-41.3176.2176.6-101.4000111.8V322 Q326 L327 H328V322-F324 PolarHBondContact O-N 3.03Å; F324-Q326 PolarHBondContact O-N 3.5Å; F324-L327 PolarHBondContact O-N 2.94Å; F324-H328 AromaticContact CD2-CD2 3.98Å; F324-H328 AromaticContact CE1-CD2 3.54Å; F324-H328 AromaticContact CE1-NE2 3.94Å; F324-H328 AromaticContact CE2-CD2 3.49Å; F324-H328 VanDerWaalsContact CE2-CD2 3.49Å; F324-H328 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H328 AromaticContact CE2-NE2 3.54Å; F324-H328 AromaticContact CZ-CD2 3.25Å; F324-H328 WeakPolarHBondContact CZ-CD2 3.44Å; F324-H328 AromaticContact CZ-NE2 3.23Å; F324-H328 WeakPolarHBondContact CZ-NE2 3.38Å; F324-H328 WeakPolarHBondContact O-CB 3.33Å; F324-H328 PolarHBondContact O-N 3.4Å
325A81.8Confident71.2Confident74 Ų74110.8 Ų110.861%0.61261%0.611SS**Hα-helixtrans-63.8-34.4174.400000113.8N323 K329N323-A325 PolarHBondContact O-N 3.31Å; A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 3.15Å
326Q81.6Confident73.6Confident125 Ų125108.6 Ų108.658%0.58460%0.595SS**Hα-helixtrans-74.3-36.5178.1-166.67032.100111.4N323 F324 K330N323-Q326 HydrophobicContact CB-CB 3.66Å; N323-Q326 WeakPolarHBondContact O-CA 3.41Å; N323-Q326 WeakPolarHBondContact O-CB 3.49Å; N323-Q326 PolarHBondContact O-N 2.87Å; F324-Q326 PolarHBondContact O-N 3.5Å; Q326-K330 WeakPolarHBondContact O-CB 3.36Å; Q326-K330 PolarHBondContact O-N 3.19Å
327L86.1Confident76.4Confident107 Ų107110.8 Ų110.856%0.5659%0.589SS**Hα-helixtrans-67.5-46.4171-78.7-178.6000111.5V322 N323 F324 K329 K330 L331V322-L327 HydrophobicContact CG1-CD1 3.57Å; V322-L327 HydrophobicContact CG1-CG 4.02Å; N323-L327 PolarHBondContact O-N 3.17Å; F324-L327 PolarHBondContact O-N 2.94Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.92Å; L327-K330 PolarHBondContact O-N 2.92Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 PolarHBondContact O-N 3.4Å
328H88.2Confident78.8Confident104 Ų104104.7 Ų104.748%0.48157%0.566SS.*Hα-helixtrans-61.8-40.7176.5-102.2-76.2000112.4F324 L331 G332F324-H328 AromaticContact CD2-CD2 3.98Å; F324-H328 AromaticContact CE1-CD2 3.54Å; F324-H328 AromaticContact CE1-NE2 3.94Å; F324-H328 AromaticContact CE2-CD2 3.49Å; F324-H328 VanDerWaalsContact CE2-CD2 3.49Å; F324-H328 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H328 AromaticContact CE2-NE2 3.54Å; F324-H328 AromaticContact CZ-CD2 3.25Å; F324-H328 WeakPolarHBondContact CZ-CD2 3.44Å; F324-H328 AromaticContact CZ-NE2 3.23Å; F324-H328 WeakPolarHBondContact CZ-NE2 3.38Å; F324-H328 WeakPolarHBondContact O-CB 3.33Å; F324-H328 PolarHBondContact O-N 3.4Å; H328-L331 PolarHBondContact O-N 2.94Å; H328-G332 PolarHBondContact O-N 3.4Å
329K91.9Very high81.4Confident125 Ų125104 Ų10454%0.54355%0.554SS.*Hα-helixtrans-60.7-54172.4-173.7-174.9170-179.40110.5A325 L327 L331 G332 D333A325-K329 WeakPolarHBondContact O-CB 3.23Å; A325-K329 PolarHBondContact O-N 3.15Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 2.92Å; K329-L331 PolarHBondContact O-N 3.46Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.43Å; K329-G332 PolarHBondContact O-N 3.3Å; K329-D333 WeakPolarHBondContact CE-OD1 3.44Å; K329-D333 WeakPolarHBondContact CE-OD2 3.4Å; K329-D333 PolarHBondContact O-N 2.94Å
330K93.4Very high83.8Confident126 Ų126100.9 Ų100.955%0.54854%0.538SS..Hα-helixtrans-63.5-30-176.9-169.7171.8-177.2179.90112.7Q326 L327 L334Q326-K330 WeakPolarHBondContact O-CB 3.36Å; Q326-K330 PolarHBondContact O-N 3.19Å; L327-K330 PolarHBondContact O-N 2.92Å; K330-L334 HydrophobicContact CG-CD1 4.15Å; K330-L334 HydrophobicContact CG-CG 4.49Å; K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.39Å; K330-L334 WeakPolarHBondContact O-CD1 3.34Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.32Å
331L92.7Very high85.9Confident87 Ų87100.1 Ų100.146%0.45553%0.525SS..Hα-helixtrans-64.9-48.6170.8-178.363000110.7L327 H328 K329 L334 E335L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 PolarHBondContact O-N 3.4Å; H328-L331 PolarHBondContact O-N 2.94Å; K329-L331 PolarHBondContact O-N 3.46Å; L331-L334 CarbonylContact O-C 3.58Å; L331-L334 PolarHBondContact O-N 3.41Å; L331-E335 HydrophobicContact CD1-CG 4.37Å; L331-E335 HydrophobicContact CG-CG 4.45Å; L331-E335 WeakPolarHBondContact CG-OE1 3.38Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 VanDerWaalsContact O-CG 3.3Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 2.87Å
332G94.9Very high88.1Confident31 Ų31101 Ų10132%0.3251%0.511SS..Hα-helixtrans-60.7-45.1174.600000113.6H328 K329 L334 E335 E336H328-G332 PolarHBondContact O-N 3.4Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.43Å; K329-G332 PolarHBondContact O-N 3.3Å; G332-L334 VanDerWaalsContact C-N 3.27Å; G332-L334 PolarHBondContact O-N 3.14Å; G332-E335 PolarHBondContact O-N 2.7Å; G332-E336 PolarHBondContact O-N 2.88Å
333D94.7Very high90.1Very high72 Ų72102.6 Ų102.639%0.38551%0.513SS..Hα-helixtrans-56.3-42.7174.8-59.5-27.7000110.5K329 E337K329-D333 WeakPolarHBondContact CE-OD1 3.44Å; K329-D333 WeakPolarHBondContact CE-OD2 3.4Å; K329-D333 PolarHBondContact O-N 2.94Å; D333-E337 WeakPolarHBondContact O-CB 3.4Å; D333-E337 PolarHBondContact O-N 3.49Å
334L94.5Very high91.8Very high84 Ų84100.7 Ų100.744%0.4450%0.5SS..Hα-helixtrans-75.9-30.2177.7-74.3170000113.7K330 L331 G332 N338K330-L334 HydrophobicContact CG-CD1 4.15Å; K330-L334 HydrophobicContact CG-CG 4.49Å; K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.39Å; K330-L334 WeakPolarHBondContact O-CD1 3.34Å; K330-L334 WeakPolarHBondContact O-CG 3.38Å; K330-L334 PolarHBondContact O-N 3.32Å; L331-L334 CarbonylContact O-C 3.58Å; L331-L334 PolarHBondContact O-N 3.41Å; G332-L334 VanDerWaalsContact C-N 3.27Å; G332-L334 PolarHBondContact O-N 3.14Å; L334-N338 VanDerWaalsContact O-CB 3.28Å; L334-N338 WeakPolarHBondContact O-CB 3.48Å; L334-N338 PolarHBondContact O-N 3.35Å
335E95.3Very high92.7Very high106 Ų10699.6 Ų99.650%0.49549%0.492SS..Hα-helixtrans-69.7-40.6173.6-77.8171.8177.300110.5L331 G332 N338 N339L331-E335 HydrophobicContact CD1-CG 4.37Å; L331-E335 HydrophobicContact CG-CG 4.45Å; L331-E335 WeakPolarHBondContact CG-OE1 3.38Å; L331-E335 WeakPolarHBondContact O-CB 3.29Å; L331-E335 VanDerWaalsContact O-CG 3.3Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 2.87Å; G332-E335 PolarHBondContact O-N 2.7Å; E335-N338 PolarHBondContact O-N 2.89Å; E335-N339 WeakPolarHBondContact O-CB 3.26Å; E335-N339 VanDerWaalsContact O-CG 3.27Å; E335-N339 PolarHBondContact O-N 2.91Å; E335-N339 PolarHBondContact O-ND2 3.27Å
336E94.8Very high93.3Very high129 Ų129100.5 Ų100.560%0.60349%0.486SS*.Hα-helixtrans-63.1-47.8170.8-173.5167.7-156.300111.2G332 N338 N339 L340G332-E336 PolarHBondContact O-N 2.88Å; E336-N338 VanDerWaalsContact C-N 3.34Å; E336-N338 PolarHBondContact O-N 2.96Å; E336-N339 PolarHBondContact O-N 3.2Å; E336-N339 VanDerWaalsContact O-N 3.15Å; E336-L340 HydrophobicContact CG-CD1 4.17Å; E336-L340 WeakPolarHBondContact O-CG 3.4Å; E336-L340 PolarHBondContact O-N 3.36Å
337E94.7Very high94Very high105 Ų105100.8 Ų100.849%0.49148%0.482SS..Hα-helixtrans-58.2-43.3174-169-173.9167.100111.9D333 N339 L340 L341D333-E337 WeakPolarHBondContact O-CB 3.4Å; D333-E337 PolarHBondContact O-N 3.49Å; E337-N339 VanDerWaalsContact C-N 3.31Å; E337-N339 PolarHBondContact O-N 3.46Å; E337-L340 PolarHBondContact O-N 3.04Å; E337-L341 HydrophobicContact CG-CD1 4.07Å; E337-L341 HydrophobicContact CG-CG 4.45Å; E337-L341 WeakPolarHBondContact O-CB 3.49Å; E337-L341 VanDerWaalsContact O-CG 3.31Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å
338N91.9Very high94.5Very high75 Ų75100 Ų10040%0.40148%0.477SS..Hα-helixtrans-66-34.3178-151.9-99.4000112.1L334 E335 E336 R342L334-N338 VanDerWaalsContact O-CB 3.28Å; L334-N338 WeakPolarHBondContact O-CB 3.48Å; L334-N338 PolarHBondContact O-N 3.35Å; E335-N338 PolarHBondContact O-N 2.89Å; E336-N338 VanDerWaalsContact C-N 3.34Å; E336-N338 PolarHBondContact O-N 2.96Å; N338-R342 WeakPolarHBondContact O-CB 3.3Å; N338-R342 WeakPolarHBondContact O-CD 3.46Å; N338-R342 WeakPolarHBondContact O-CG 3.46Å; N338-R342 PolarHBondContact O-N 3.36Å; N338-R342 PolarHBondContact OD1-NE 3.19Å; N338-R342 PolarHBondContact OD1-NH2 3.35Å
339N95.6Very high94.9Very high89 Ų8997.9 Ų97.948%0.47648%0.475SS..Hα-helixtrans-70.5-41.8174.4-76.9-42.2000111.9E335 E336 E337 R342 Q343E335-N339 WeakPolarHBondContact O-CB 3.26Å; E335-N339 VanDerWaalsContact O-CG 3.27Å; E335-N339 PolarHBondContact O-N 2.91Å; E335-N339 PolarHBondContact O-ND2 3.27Å; E336-N339 PolarHBondContact O-N 3.2Å; E336-N339 VanDerWaalsContact O-N 3.15Å; E337-N339 VanDerWaalsContact C-N 3.31Å; E337-N339 PolarHBondContact O-N 3.46Å; N339-R342 WeakPolarHBondContact O-CB 3.44Å; N339-R342 PolarHBondContact O-N 3.1Å; N339-Q343 WeakPolarHBondContact O-CG 3.08Å; N339-Q343 PolarHBondContact O-N 2.92Å
340L96.8Very high95.1Very high96 Ų9695.4 Ų95.450%0.50347%0.47SS..Hα-helixtrans-63.2-45.8173.9-70.6169.1000111.5E336 E337 R342 Q343 E344E336-L340 HydrophobicContact CG-CD1 4.17Å; E336-L340 WeakPolarHBondContact O-CG 3.4Å; E336-L340 PolarHBondContact O-N 3.36Å; E337-L340 PolarHBondContact O-N 3.04Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 3.41Å; L340-Q343 PolarHBondContact O-N 3Å; L340-Q343 VanDerWaalsContact O-N 3.16Å; L340-E344 WeakPolarHBondContact O-CB 3.29Å; L340-E344 PolarHBondContact O-N 3.24Å
341L95.1Very high95.2Very high97 Ų9791 Ų9151%0.50846%0.457SS..Hα-helixtrans-64.6-28174.4-69.6172.4000112.7E337 R345E337-L341 HydrophobicContact CG-CD1 4.07Å; E337-L341 HydrophobicContact CG-CG 4.45Å; E337-L341 WeakPolarHBondContact O-CB 3.49Å; E337-L341 VanDerWaalsContact O-CG 3.31Å; E337-L341 WeakPolarHBondContact O-CG 3.38Å; E337-L341 PolarHBondContact O-N 3.32Å; L341-R345 VanDerWaalsContact O-CB 3.3Å; L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 PolarHBondContact O-N 3.29Å
342R95.7Very high95.3Very high125 Ų12588.9 Ų88.947%0.47245%0.452SS..Hα-helixtrans-70.7-44.9170.3-77.8163.5-168.2-92.7-3.5111.8N338 N339 L340 R345 N346N338-R342 WeakPolarHBondContact O-CB 3.3Å; N338-R342 WeakPolarHBondContact O-CD 3.46Å; N338-R342 WeakPolarHBondContact O-CG 3.46Å; N338-R342 PolarHBondContact O-N 3.36Å; N338-R342 PolarHBondContact OD1-NE 3.19Å; N338-R342 PolarHBondContact OD1-NH2 3.35Å; N339-R342 WeakPolarHBondContact O-CB 3.44Å; N339-R342 PolarHBondContact O-N 3.1Å; L340-R342 VanDerWaalsContact C-N 3.26Å; L340-R342 PolarHBondContact O-N 3.41Å; R342-R345 PolarHBondContact O-NH1 2.86Å; R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-OD1 3.42Å
343Q95.6Very high95.4Very high127 Ų12791.7 Ų91.759%0.59346%0.46SS*.Hα-helixtrans-62-45.9176.6-70.2171.932.300110.9N339 L340 N346 R347N339-Q343 WeakPolarHBondContact O-CG 3.08Å; N339-Q343 PolarHBondContact O-N 2.92Å; L340-Q343 PolarHBondContact O-N 3Å; L340-Q343 VanDerWaalsContact O-N 3.16Å; Q343-N346 PolarHBondContact O-N 3.41Å; Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 PolarHBondContact O-N 2.87Å
344E95.4Very high95.5Very high77 Ų7794.9 Ų94.936%0.3647%0.472SS..Hα-helixtrans-65.9-42.4179.2-18058.6-169.800112.3L340 N346 R347 L348L340-E344 WeakPolarHBondContact O-CB 3.29Å; L340-E344 PolarHBondContact O-N 3.24Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 3.17Å; E344-R347 PolarHBondContact O-N 3.46Å; E344-R347 IonicContact OE1-CZ 3.48Å; E344-R347 IonicContact OE1-NE 3.21Å; E344-R347 IonicContact OE1-NH2 2.6Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 2.7Å; E344-R347 IonicContact OE2-NE 2.63Å; E344-R347 PolarHBondContact OE2-NE 2.92Å; E344-R347 IonicContact OE2-NH2 2.65Å; E344-R347 PolarHBondContact OE2-NH2 3.49Å; E344-L348 HydrophobicContact CG-CD1 4.05Å; E344-L348 HydrophobicContact CG-CG 4.49Å; E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 2.78Å
345R95.9Very high95.5Very high131 Ų13196.4 Ų96.449%0.49448%0.48SS..Hα-helixtrans-60.5-41.1172.3-172.8-133.2-57.999.913.3111.7L341 R342 L348 S349L341-R345 VanDerWaalsContact O-CB 3.3Å; L341-R345 WeakPolarHBondContact O-CB 3.47Å; L341-R345 PolarHBondContact O-N 3.29Å; R342-R345 PolarHBondContact O-NH1 2.86Å; R345-L348 PolarHBondContact O-N 3.36Å; R345-S349 WeakPolarHBondContact O-CB 3.48Å; R345-S349 PolarHBondContact O-N 2.91Å
346N94.8Very high95.5Very high93 Ų9396.1 Ų96.150%0.49748%0.482SS..Hα-helixtrans-67.6-40.2179-67.79.3000111R342 Q343 E344 S349 T350R342-N346 WeakPolarHBondContact O-CB 3.33Å; R342-N346 PolarHBondContact O-N 2.88Å; R342-N346 PolarHBondContact O-OD1 3.42Å; Q343-N346 PolarHBondContact O-N 3.41Å; E344-N346 VanDerWaalsContact C-N 3.3Å; E344-N346 PolarHBondContact O-N 3.17Å; N346-S349 WeakPolarHBondContact O-CB 3.4Å; N346-S349 PolarHBondContact O-N 3.32Å; N346-T350 PolarHBondContact O-N 3.49Å; N346-T350 PolarHBondContact O-OG1 3.41Å
347R97.1Very high95.5Very high130 Ų13096.2 Ų96.249%0.49148%0.483SS..Hα-helixtrans-62.9-41.4174-168.9-164.569.674.6-0.1112.2Q343 E344 T350 A351Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 PolarHBondContact O-N 2.87Å; E344-R347 PolarHBondContact O-N 3.46Å; E344-R347 IonicContact OE1-CZ 3.48Å; E344-R347 IonicContact OE1-NE 3.21Å; E344-R347 IonicContact OE1-NH2 2.6Å; E344-R347 PolarHBondContact OE1-NH2 3.27Å; E344-R347 IonicContact OE2-CZ 2.7Å; E344-R347 IonicContact OE2-NE 2.63Å; E344-R347 PolarHBondContact OE2-NE 2.92Å; E344-R347 IonicContact OE2-NH2 2.65Å; E344-R347 PolarHBondContact OE2-NH2 3.49Å; R347-T350 PolarHBondContact O-OG1 2.89Å; R347-A351 VanDerWaalsContact O-CB 3.29Å; R347-A351 WeakPolarHBondContact O-CB 3.37Å; R347-A351 PolarHBondContact O-N 3.01Å
348L95.4Very high95.5Very high90 Ų9096.5 Ų96.547%0.47148%0.484SS..Hα-helixtrans-69.6-34.4175.4-72170.9000112E344 R345 A352E344-L348 HydrophobicContact CG-CD1 4.05Å; E344-L348 HydrophobicContact CG-CG 4.49Å; E344-L348 WeakPolarHBondContact O-CB 3.39Å; E344-L348 VanDerWaalsContact O-CG 3.3Å; E344-L348 WeakPolarHBondContact O-CG 3.5Å; E344-L348 PolarHBondContact O-N 2.78Å; R345-L348 PolarHBondContact O-N 3.36Å; L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.04Å
349S97Very high95.6Very high60 Ų6099.1 Ų99.142%0.4249%0.494SS..Hα-helixtrans-60.9-57170.7-164.50000110.1R345 N346 A351 A352 D353R345-S349 WeakPolarHBondContact O-CB 3.48Å; R345-S349 PolarHBondContact O-N 2.91Å; N346-S349 WeakPolarHBondContact O-CB 3.4Å; N346-S349 PolarHBondContact O-N 3.32Å; S349-A351 PolarHBondContact O-N 2.65Å; S349-A352 CarbonylContact O-C 3.14Å; S349-A352 WeakPolarHBondContact O-CA 3.44Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.32Å; S349-D353 VanDerWaalsContact C-OD2 3.22Å; S349-D353 PolarHBondContact O-N 2.9Å; S349-D353 PolarHBondContact OG-OD2 3.27Å
350T95.6Very high95.6Very high74 Ų7498.3 Ų98.345%0.45449%0.492SS..Hα-helixtrans-63.4-27.9-177.855.50000113.1N346 R347 D353 Q354N346-T350 PolarHBondContact O-N 3.49Å; N346-T350 PolarHBondContact O-OG1 3.41Å; R347-T350 PolarHBondContact O-OG1 2.89Å; T350-D353 WeakPolarHBondContact CA-OD2 3.42Å; T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 WeakPolarHBondContact O-CG 3.5Å; T350-Q354 PolarHBondContact O-N 2.99Å
351A96.3Very high95.5Very high32 Ų3295.6 Ų95.626%0.26448%0.483SS..Hα-helixtrans-72.8-36.1171.600000112.9R347 S349 L355R347-A351 VanDerWaalsContact O-CB 3.29Å; R347-A351 WeakPolarHBondContact O-CB 3.37Å; R347-A351 PolarHBondContact O-N 3.01Å; S349-A351 PolarHBondContact O-N 2.65Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.31Å; A351-L355 VanDerWaalsContact O-N 3.16Å
352A94.8Very high95.6Very high43 Ų4395.8 Ų95.836%0.35549%0.485SS..Hα-helixtrans-68.3-47.7172.200000111L348 S349 Q354 L355 D356L348-A352 WeakPolarHBondContact O-CB 3.35Å; L348-A352 PolarHBondContact O-N 3.04Å; S349-A352 CarbonylContact O-C 3.14Å; S349-A352 WeakPolarHBondContact O-CA 3.44Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.32Å; A352-Q354 PolarHBondContact O-N 2.87Å; A352-L355 PolarHBondContact O-N 3.09Å; A352-D356 PolarHBondContact O-N 3.44Å
353D96Very high95.6Very high90 Ų9094 Ų9448%0.48149%0.488SS..Hα-helixtrans-54.6-39.2177.4-57.8-44.2000111.5S349 T350 E357S349-D353 VanDerWaalsContact C-OD2 3.22Å; S349-D353 PolarHBondContact O-N 2.9Å; S349-D353 PolarHBondContact OG-OD2 3.27Å; T350-D353 WeakPolarHBondContact CA-OD2 3.42Å; D353-E357 PolarHBondContact O-N 2.91Å
354Q96.5Very high95.7Very high139 Ų13994.5 Ų94.565%0.6548%0.484SS*.Hα-helixtrans-71-35.3175.2-75.7170.39.900114T350 A352 H358T350-Q354 WeakPolarHBondContact O-CB 3.38Å; T350-Q354 WeakPolarHBondContact O-CG 3.5Å; T350-Q354 PolarHBondContact O-N 2.99Å; A352-Q354 PolarHBondContact O-N 2.87Å; Q354-H358 WeakPolarHBondContact O-CB 3.48Å; Q354-H358 PolarHBondContact O-N 2.95Å; Q354-H358 VanDerWaalsContact O-N 3.07Å
355L95Very high95.7Very high116 Ų11693.1 Ų93.161%0.60748%0.479SS*.Hα-helixtrans-72.6-39.9176.3-73.6170000111.3A351 A352 H358 E359A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.47Å; A351-L355 PolarHBondContact O-N 3.31Å; A351-L355 VanDerWaalsContact O-N 3.16Å; A352-L355 PolarHBondContact O-N 3.09Å; L355-H358 PolarHBondContact O-N 3.31Å; L355-E359 PolarHBondContact O-N 2.92Å
356D95.2Very high95.7Very high100 Ų10090.9 Ų90.954%0.53548%0.482SS..Hα-helixtrans-63.5-42174.5-72.410.6000110.9A352 E359 T360A352-D356 PolarHBondContact O-N 3.44Å; D356-E359 PolarHBondContact O-N 3.46Å; D356-T360 WeakPolarHBondContact O-CG2 3.41Å; D356-T360 PolarHBondContact O-N 2.94Å; D356-T360 PolarHBondContact O-OG1 3.23Å
357E94.9Very high95.8Very high131 Ų13188.7 Ų88.761%0.61248%0.477SS*.Hα-helixtrans-65.9-37.6174.2-177.4154.6-146.200112.3D353 T360 A361D353-E357 PolarHBondContact O-N 2.91Å; E357-T360 PolarHBondContact O-OG1 3.42Å; E357-A361 WeakPolarHBondContact O-CB 3.39Å; E357-A361 PolarHBondContact O-N 3.48Å
358H95.9Very high95.8Very high112 Ų11290.3 Ų90.352%0.51948%0.483SS..Hα-helixtrans-65.7-43.6173.4175.4-98.5000112.6Q354 L355 A361 L362Q354-H358 WeakPolarHBondContact O-CB 3.48Å; Q354-H358 PolarHBondContact O-N 2.95Å; Q354-H358 VanDerWaalsContact O-N 3.07Å; L355-H358 PolarHBondContact O-N 3.31Å; H358-A361 WeakPolarHBondContact O-CB 3.42Å; H358-A361 PolarHBondContact O-N 2.99Å; H358-L362 VanDerWaalsContact CE1-CD1 3.46Å; H358-L362 WeakPolarHBondContact CE1-CD1 3.38Å; H358-L362 PolarHBondContact O-N 2.97Å
359E93.4Very high95.8Very high129 Ų12991.8 Ų91.860%0.60349%0.488SS*.Hα-helixtrans-62-48.4175.9-174.2176.6152.300110.8L355 D356 A361 L362 V363L355-E359 PolarHBondContact O-N 2.92Å; D356-E359 PolarHBondContact O-N 3.46Å; E359-A361 PolarHBondContact O-N 3.44Å; E359-L362 PolarHBondContact O-N 3.07Å; E359-L362 VanDerWaalsContact O-N 3.16Å; E359-V363 HydrophobicContact CG-CG2 4.42Å; E359-V363 WeakPolarHBondContact O-CG2 3.33Å; E359-V363 PolarHBondContact O-N 3.33Å
360T94.9Very high95.7Very high72 Ų7293.9 Ų93.944%0.44249%0.494SS..Hα-helixtrans-63.8-26.7176.464.10000112.6D356 E357 R364D356-T360 WeakPolarHBondContact O-CG2 3.41Å; D356-T360 PolarHBondContact O-N 2.94Å; D356-T360 PolarHBondContact O-OG1 3.23Å; E357-T360 PolarHBondContact O-OG1 3.42Å; T360-R364 VanDerWaalsContact O-CB 3.3Å; T360-R364 WeakPolarHBondContact O-CB 3.37Å; T360-R364 VanDerWaalsContact O-CG 3.22Å; T360-R364 WeakPolarHBondContact O-CG 3.34Å; T360-R364 PolarHBondContact O-N 3.36Å; T360-R364 PolarHBondContact O-NE 3.49Å; T360-R364 PolarHBondContact OG1-NH2 2.94Å; T360-R364 VanDerWaalsContact OG1-NH2 3.07Å
361A95.8Very high95.8Very high39 Ų3995.4 Ų95.432%0.32250%0.498SS..Hα-helixtrans-70.4-44173.500000111.9E357 H358 E359 R364 D365E357-A361 WeakPolarHBondContact O-CB 3.39Å; E357-A361 PolarHBondContact O-N 3.48Å; H358-A361 WeakPolarHBondContact O-CB 3.42Å; H358-A361 PolarHBondContact O-N 2.99Å; E359-A361 PolarHBondContact O-N 3.44Å; A361-R364 PolarHBondContact O-N 3.39Å; A361-D365 PolarHBondContact O-N 2.87Å
362L96.2Very high95.8Very high102 Ų10297.5 Ų97.553%0.53451%0.508SS..Hα-helixtrans-64.6-41.8173.8-69.1-179.5000112.2H358 E359 D365 C366H358-L362 VanDerWaalsContact CE1-CD1 3.46Å; H358-L362 WeakPolarHBondContact CE1-CD1 3.38Å; H358-L362 PolarHBondContact O-N 2.97Å; E359-L362 PolarHBondContact O-N 3.07Å; E359-L362 VanDerWaalsContact O-N 3.16Å; L362-D365 PolarHBondContact O-N 3.32Å; L362-C366 WeakPolarHBondContact O-CB 3.18Å; L362-C366 PolarHBondContact O-N 3.48Å
363V97Very high95.8Very high88 Ų8897.6 Ų97.653%0.53351%0.508SS..Hα-helixtrans-63.2-42.7175.3172.10000111E359 D365 A367E359-V363 HydrophobicContact CG-CG2 4.42Å; E359-V363 WeakPolarHBondContact O-CG2 3.33Å; E359-V363 PolarHBondContact O-N 3.33Å; V363-D365 VanDerWaalsContact C-N 3.34Å; V363-D365 PolarHBondContact O-N 2.87Å; V363-A367 WeakPolarHBondContact O-CB 3.45Å; V363-A367 PolarHBondContact O-N 3.34Å
364R95.8Very high95.9Very high136 Ų13696.9 Ų96.951%0.51351%0.505SS..Hα-helixtrans-58.9-44.3172.7-83.2173.7-77.9151.9-11.6111.6T360 A361 A367 R368T360-R364 VanDerWaalsContact O-CB 3.3Å; T360-R364 WeakPolarHBondContact O-CB 3.37Å; T360-R364 VanDerWaalsContact O-CG 3.22Å; T360-R364 WeakPolarHBondContact O-CG 3.34Å; T360-R364 PolarHBondContact O-N 3.36Å; T360-R364 PolarHBondContact O-NE 3.49Å; T360-R364 PolarHBondContact OG1-NH2 2.94Å; T360-R364 VanDerWaalsContact OG1-NH2 3.07Å; A361-R364 PolarHBondContact O-N 3.39Å; R364-A367 PolarHBondContact O-N 3.26Å; R364-R368 WeakPolarHBondContact O-CG 3.17Å; R364-R368 PolarHBondContact O-N 3.41Å
365D96.3Very high95.8Very high49 Ų4994.9 Ų94.926%0.26250%0.496SS..Hα-helixtrans-70.3-43.7-179.2-163.255.5000112.8A361 L362 V363 A367 R368 Q369A361-D365 PolarHBondContact O-N 2.87Å; L362-D365 PolarHBondContact O-N 3.32Å; V363-D365 VanDerWaalsContact C-N 3.34Å; V363-D365 PolarHBondContact O-N 2.87Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.06Å; D365-R368 WeakPolarHBondContact O-CB 3Å; D365-R368 PolarHBondContact O-N 3.44Å; D365-R368 IonicContact OD1-CZ 2.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.32Å; D365-R368 IonicContact OD1-NE 2.74Å; D365-R368 PolarHBondContact OD1-NE 2.65Å; D365-R368 VanDerWaalsContact OD1-NE 3.17Å; D365-R368 IonicContact OD1-NH2 3.12Å; D365-R368 PolarHBondContact OD1-NH2 2.63Å; D365-Q369 WeakPolarHBondContact O-CG 3.38Å; D365-Q369 PolarHBondContact O-N 3.39Å; D365-Q369 PolarHBondContact OD2-NE2 3.22Å
366C95Very high95.9Very high83 Ų8394.9 Ų94.956%0.56149%0.493SS*.Hα-helixtrans-55.5-42.4172.5-174.80000111.6L362 Q369 L370L362-C366 WeakPolarHBondContact O-CB 3.18Å; L362-C366 PolarHBondContact O-N 3.48Å; C366-Q369 PolarHBondContact O-N 3.46Å; C366-L370 VanDerWaalsContact O-CB 3.29Å; C366-L370 WeakPolarHBondContact O-CB 3.32Å; C366-L370 PolarHBondContact O-N 3.39Å
367A97.2Very high96Very high47 Ų4795.3 Ų95.339%0.38849%0.494SS..Hα-helixtrans-63.6-41.4174.600000112.6V363 R364 D365 L370 I371V363-A367 WeakPolarHBondContact O-CB 3.45Å; V363-A367 PolarHBondContact O-N 3.34Å; R364-A367 PolarHBondContact O-N 3.26Å; D365-A367 VanDerWaalsContact C-N 3.26Å; D365-A367 PolarHBondContact O-N 3.06Å; A367-L370 PolarHBondContact O-N 3.27Å; A367-I371 WeakPolarHBondContact O-CD1 3.27Å; A367-I371 VanDerWaalsContact O-CG1 3.25Å; A367-I371 WeakPolarHBondContact O-CG1 3.28Å; A367-I371 PolarHBondContact O-N 2.7Å
368R97Very high96Very high164 Ų16496 Ų9662%0.61949%0.491SS*.Hα-helixtrans-61.6-50.7173.4-68.4-168.7-54.3179.42.8111.5R364 D365 L370 I371 T372R364-R368 WeakPolarHBondContact O-CG 3.17Å; R364-R368 PolarHBondContact O-N 3.41Å; D365-R368 WeakPolarHBondContact O-CB 3Å; D365-R368 PolarHBondContact O-N 3.44Å; D365-R368 IonicContact OD1-CZ 2.71Å; D365-R368 VanDerWaalsContact OD1-CZ 3.32Å; D365-R368 IonicContact OD1-NE 2.74Å; D365-R368 PolarHBondContact OD1-NE 2.65Å; D365-R368 VanDerWaalsContact OD1-NE 3.17Å; D365-R368 IonicContact OD1-NH2 3.12Å; D365-R368 PolarHBondContact OD1-NH2 2.63Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.98Å; R368-I371 PolarHBondContact O-N 3.18Å; R368-I371 VanDerWaalsContact O-N 3.13Å; R368-T372 PolarHBondContact O-N 3.37Å; R368-T372 PolarHBondContact O-OG1 3.45Å
369Q96.9Very high96Very high122 Ų12294.7 Ų94.757%0.5749%0.488SS*.Hα-helixtrans-58-42.4179.3-68.2-173.935.800111.3D365 C366 T372 A373D365-Q369 WeakPolarHBondContact O-CG 3.38Å; D365-Q369 PolarHBondContact O-N 3.39Å; D365-Q369 PolarHBondContact OD2-NE2 3.22Å; C366-Q369 PolarHBondContact O-N 3.46Å; Q369-T372 PolarHBondContact O-N 2.8Å; Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 2.88Å
370L94.5Very high96.2Very high103 Ų10394.3 Ų94.354%0.53949%0.49SS..Hα-helixtrans-65-39.7176.1-177.561000112.5C366 A367 R368 N374C366-L370 VanDerWaalsContact O-CB 3.29Å; C366-L370 WeakPolarHBondContact O-CB 3.32Å; C366-L370 PolarHBondContact O-N 3.39Å; A367-L370 PolarHBondContact O-N 3.27Å; R368-L370 VanDerWaalsContact C-N 3.29Å; R368-L370 PolarHBondContact O-N 2.98Å; L370-N374 WeakPolarHBondContact O-CB 3.27Å; L370-N374 PolarHBondContact O-N 3.05Å; L370-N374 PolarHBondContact O-ND2 3.48Å
371I96.8Very high96.3Very high107 Ų10794.2 Ų94.255%0.54949%0.492SS..Hα-helixtrans-64.4-45.9174.5-70.3163.6000110.5A367 R368 N374 M375A367-I371 WeakPolarHBondContact O-CD1 3.27Å; A367-I371 VanDerWaalsContact O-CG1 3.25Å; A367-I371 WeakPolarHBondContact O-CG1 3.28Å; A367-I371 PolarHBondContact O-N 2.7Å; R368-I371 PolarHBondContact O-N 3.18Å; R368-I371 VanDerWaalsContact O-N 3.13Å; I371-N374 PolarHBondContact O-N 3.4Å; I371-M375 WeakPolarHBondContact O-CG 3.36Å; I371-M375 PolarHBondContact O-N 3.05Å
372T96Very high96.3Very high76 Ų7696 Ų9647%0.46650%0.496SS..Hα-helixtrans-61.3-45.7176.5-63.40000111.7R368 Q369 N374 M375 H376R368-T372 PolarHBondContact O-N 3.37Å; R368-T372 PolarHBondContact O-OG1 3.45Å; Q369-T372 PolarHBondContact O-N 2.8Å; T372-N374 PolarHBondContact O-N 2.89Å; T372-M375 WeakPolarHBondContact O-CB 3.47Å; T372-M375 PolarHBondContact O-N 2.92Å; T372-M375 VanDerWaalsContact O-N 3.15Å; T372-H376 PolarHBondContact O-CD2 3.29Å; T372-H376 VanDerWaalsContact O-CD2 3.27Å; T372-H376 PolarHBondContact O-N 3.42Å
373A95.9Very high96.3Very high45 Ų4595.1 Ų95.137%0.37249%0.489SS..Hα-helixtrans-60.4-43.7175.500000111.9Q369 M375 H376 I377Q369-A373 WeakPolarHBondContact O-CB 3.25Å; Q369-A373 PolarHBondContact O-N 2.88Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.33Å; A373-H376 PolarHBondContact O-N 3.01Å; A373-H376 VanDerWaalsContact O-N 3.17Å; A373-I377 WeakPolarHBondContact O-CG1 3.28Å; A373-I377 PolarHBondContact O-N 3.5Å
374N96.9Very high96.2Very high75 Ų7596.7 Ų96.740%0.40149%0.494SS..Hα-helixtrans-64.9-30.8175.1-77.9-51.9000113.1L370 I371 T372 R378L370-N374 WeakPolarHBondContact O-CB 3.27Å; L370-N374 PolarHBondContact O-N 3.05Å; L370-N374 PolarHBondContact O-ND2 3.48Å; I371-N374 PolarHBondContact O-N 3.4Å; T372-N374 PolarHBondContact O-N 2.89Å; N374-R378 WeakPolarHBondContact O-CB 3.28Å; N374-R378 PolarHBondContact O-N 2.9Å
375M95Very high96.2Very high97 Ų9792.4 Ų92.448%0.47849%0.488SS..Hα-helixtrans-69-42.3170-73.2-175.167.500111.9I371 T372 A373 I377 R378 N379I371-M375 WeakPolarHBondContact O-CG 3.36Å; I371-M375 PolarHBondContact O-N 3.05Å; T372-M375 WeakPolarHBondContact O-CB 3.47Å; T372-M375 PolarHBondContact O-N 2.92Å; T372-M375 VanDerWaalsContact O-N 3.15Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.33Å; M375-I377 PolarHBondContact O-N 2.87Å; M375-R378 PolarHBondContact O-N 3.44Å; M375-N379 WeakPolarHBondContact O-CB 3.39Å; M375-N379 PolarHBondContact O-N 3.09Å; M375-N379 PolarHBondContact O-OD1 3.44Å
376H97.3Very high96.2Very high116 Ų11695.9 Ų95.954%0.53750%0.5SS..Hα-helixtrans-61.6-42.6173.3-80.2-77.6000112.3T372 A373 R378 N379 L380T372-H376 PolarHBondContact O-CD2 3.29Å; T372-H376 VanDerWaalsContact O-CD2 3.27Å; T372-H376 PolarHBondContact O-N 3.42Å; A373-H376 PolarHBondContact O-N 3.01Å; A373-H376 VanDerWaalsContact O-N 3.17Å; H376-R378 PolarHBondContact O-N 2.93Å; H376-N379 PolarHBondContact O-N 3.3Å; H376-L380 WeakPolarHBondContact O-CB 3.4Å; H376-L380 VanDerWaalsContact O-CG 3.28Å; H376-L380 WeakPolarHBondContact O-CG 3.19Å; H376-L380 PolarHBondContact O-N 3.3Å
377I96.5Very high96.2Very high109 Ų10998.8 Ų98.856%0.55950%0.504SS*.Hα-helixtrans-61.3-43.2175.7-68.3164.4000110.9A373 M375 L380 S381A373-I377 WeakPolarHBondContact O-CG1 3.28Å; A373-I377 PolarHBondContact O-N 3.5Å; M375-I377 PolarHBondContact O-N 2.87Å; I377-L380 PolarHBondContact O-N 3.27Å; I377-S381 WeakPolarHBondContact O-CB 3.18Å; I377-S381 PolarHBondContact O-N 3.47Å
378R96.2Very high96.1Very high144 Ų14499.6 Ų99.654%0.54351%0.506SS..Hα-helixtrans-61.7-50.3175-172.1-179.9-61.7104.42.6111.6N374 M375 H376 L380 S381 D382N374-R378 WeakPolarHBondContact O-CB 3.28Å; N374-R378 PolarHBondContact O-N 2.9Å; M375-R378 PolarHBondContact O-N 3.44Å; H376-R378 PolarHBondContact O-N 2.93Å; R378-L380 VanDerWaalsContact C-N 3.29Å; R378-L380 PolarHBondContact O-N 3.38Å; R378-S381 CarbonylContact O-C 3.03Å; R378-S381 WeakPolarHBondContact O-CA 3.43Å; R378-S381 WeakPolarHBondContact O-CB 3.32Å; R378-S381 PolarHBondContact O-N 2.9Å; R378-D382 PolarHBondContact O-N 3.5Å
379N96.2Very high96Very high85 Ų8596.5 Ų96.546%0.45550%0.502SS..Hα-helixtrans-59.2-40.8179.3-65.81.1000111.7M375 H376 D382 E383M375-N379 WeakPolarHBondContact O-CB 3.39Å; M375-N379 PolarHBondContact O-N 3.09Å; M375-N379 PolarHBondContact O-OD1 3.44Å; H376-N379 PolarHBondContact O-N 3.3Å; N379-D382 PolarHBondContact O-N 3.39Å; N379-E383 WeakPolarHBondContact O-CG 3.46Å; N379-E383 PolarHBondContact O-N 2.93Å
380L96.7Very high95.9Very high122 Ų12292.9 Ų92.964%0.63949%0.493SS*.Hα-helixtrans-67.2-35.7175-71.7170.8000112.5H376 I377 R378 L384H376-L380 WeakPolarHBondContact O-CB 3.4Å; H376-L380 VanDerWaalsContact O-CG 3.28Å; H376-L380 WeakPolarHBondContact O-CG 3.19Å; H376-L380 PolarHBondContact O-N 3.3Å; I377-L380 PolarHBondContact O-N 3.27Å; R378-L380 VanDerWaalsContact C-N 3.29Å; R378-L380 PolarHBondContact O-N 3.38Å; L380-L384 VanDerWaalsContact O-CB 3.27Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.27Å
381S96.4Very high95.9Very high70 Ų7093 Ų9349%0.4949%0.489SS..Hα-helixtrans-65.3-40.7172.6-1730000111.9I377 R378 L384 A385I377-S381 WeakPolarHBondContact O-CB 3.18Å; I377-S381 PolarHBondContact O-N 3.47Å; R378-S381 CarbonylContact O-C 3.03Å; R378-S381 WeakPolarHBondContact O-CA 3.43Å; R378-S381 WeakPolarHBondContact O-CB 3.32Å; R378-S381 PolarHBondContact O-N 2.9Å; S381-L384 PolarHBondContact O-N 3.18Å; S381-A385 WeakPolarHBondContact O-CB 3.21Å; S381-A385 PolarHBondContact O-N 3.31Å
382D95.6Very high95.7Very high75 Ų7592.1 Ų92.140%0.40148%0.484SS..Hα-helixtrans-68.8-39.4177.9-64.2-26.1000111.3R378 N379 A385 K386R378-D382 PolarHBondContact O-N 3.5Å; N379-D382 PolarHBondContact O-N 3.39Å; D382-A385 PolarHBondContact O-N 2.95Å; D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.4Å; D382-K386 PolarHBondContact O-N 3.03Å
383E96.2Very high95.7Very high85 Ų8593.5 Ų93.540%0.39749%0.489SS..Hα-helixtrans-68-34.8172.1-71.3-53.7127.600112.9N379 K386 K387N379-E383 WeakPolarHBondContact O-CG 3.46Å; N379-E383 PolarHBondContact O-N 2.93Å; E383-K386 WeakPolarHBondContact OE1-CD 3.35Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 PolarHBondContact OE1-NZ 3.32Å; E383-K387 WeakPolarHBondContact O-CB 3.48Å; E383-K387 VanDerWaalsContact O-CG 3.29Å; E383-K387 WeakPolarHBondContact O-CG 3.34Å; E383-K387 PolarHBondContact O-N 2.88Å
384L95.6Very high95.7Very high120 Ų12097.3 Ų97.363%0.62850%0.499SS*.Hα-helixtrans-65.6-41.3172.9-177.363.3000111.3L380 S381 K387 S388L380-L384 VanDerWaalsContact O-CB 3.27Å; L380-L384 WeakPolarHBondContact O-CB 3.35Å; L380-L384 PolarHBondContact O-N 3.27Å; S381-L384 PolarHBondContact O-N 3.18Å; L384-K387 PolarHBondContact O-N 3.34Å; L384-S388 WeakPolarHBondContact O-CB 3.43Å; L384-S388 PolarHBondContact O-N 2.9Å
385A95.1Very high95.6Very high47 Ų4796.8 Ų96.839%0.38849%0.494SS..Hα-helixtrans-61.8-50.4174.200000111.5S381 D382 K387 S388 D389S381-A385 WeakPolarHBondContact O-CB 3.21Å; S381-A385 PolarHBondContact O-N 3.31Å; D382-A385 PolarHBondContact O-N 2.95Å; A385-K387 VanDerWaalsContact C-N 3.31Å; A385-K387 PolarHBondContact O-N 3.33Å; A385-S388 WeakPolarHBondContact O-CB 3.47Å; A385-S388 PolarHBondContact O-N 3.01Å; A385-S388 VanDerWaalsContact O-N 3.09Å; A385-D389 PolarHBondContact O-N 3.28Å
386K96.2Very high95.6Very high121 Ų12195.6 Ų95.653%0.52650%0.495SS..Hα-helixtrans-56.2-42.4175.8-68.7167-160.6173.20112.4D382 E383 A390D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.4Å; D382-K386 PolarHBondContact O-N 3.03Å; E383-K386 WeakPolarHBondContact OE1-CD 3.35Å; E383-K386 IonicContact OE1-NZ 2.7Å; E383-K386 PolarHBondContact OE1-NZ 3.32Å; K386-A390 WeakPolarHBondContact O-CB 3.25Å; K386-A390 PolarHBondContact O-N 3.4Å
387K96Very high95.5Very high145 Ų14593.5 Ų93.563%0.6349%0.485SS*.Hα-helixtrans-67.3-39.6176.1-75173.4-178.3176.10112.4E383 L384 A385 A390 F391E383-K387 WeakPolarHBondContact O-CB 3.48Å; E383-K387 VanDerWaalsContact O-CG 3.29Å; E383-K387 WeakPolarHBondContact O-CG 3.34Å; E383-K387 PolarHBondContact O-N 2.88Å; L384-K387 PolarHBondContact O-N 3.34Å; A385-K387 VanDerWaalsContact C-N 3.31Å; A385-K387 PolarHBondContact O-N 3.33Å; K387-A390 PolarHBondContact O-N 3.16Å; K387-F391 WeakPolarHBondContact O-CB 3.31Å; K387-F391 PolarHBondContact O-N 3.29Å
388S95.3Very high95.4Very high63 Ų6392.5 Ų92.544%0.44148%0.48SS..Hα-helixtrans-61.2-46.3174.2178.20000111.5L384 A385 F391 M392L384-S388 WeakPolarHBondContact O-CB 3.43Å; L384-S388 PolarHBondContact O-N 2.9Å; A385-S388 WeakPolarHBondContact O-CB 3.47Å; A385-S388 PolarHBondContact O-N 3.01Å; A385-S388 VanDerWaalsContact O-N 3.09Å; S388-F391 PolarHBondContact O-N 3.37Å; S388-M392 WeakPolarHBondContact O-CB 3.43Å; S388-M392 WeakPolarHBondContact O-CG 3.49Å; S388-M392 PolarHBondContact O-N 2.86Å
389D94.4Very high95.4Very high99 Ų9989 Ų8953%0.52948%0.475SS..Hα-helixtrans-66.9-40.1177.9-70.4-21.7000111.9A385 F391 M392 N393A385-D389 PolarHBondContact O-N 3.28Å; D389-F391 PolarHBondContact O-N 3.31Å; D389-M392 PolarHBondContact O-N 3.1Å; D389-N393 WeakPolarHBondContact O-CB 3.49Å; D389-N393 VanDerWaalsContact O-CG 3.28Å; D389-N393 PolarHBondContact O-N 2.85Å; D389-N393 PolarHBondContact O-ND2 2.85Å
390A94.4Very high95.5Very high47 Ų4791.2 Ų91.239%0.38848%0.477SS..Hα-helixtrans-60.8-42.7172.900000112.1K386 K387 N393 Q394K386-A390 WeakPolarHBondContact O-CB 3.25Å; K386-A390 PolarHBondContact O-N 3.4Å; K387-A390 PolarHBondContact O-N 3.16Å; A390-N393 PolarHBondContact O-N 3.3Å; A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.37Å
391F94.6Very high95.5Very high104 Ų10489.5 Ų89.546%0.45647%0.468SS..Hα-helixtrans-64.7-42.8174.6178.2-96.6000112.1K387 S388 D389 N393 Q394 Q395K387-F391 WeakPolarHBondContact O-CB 3.31Å; K387-F391 PolarHBondContact O-N 3.29Å; S388-F391 PolarHBondContact O-N 3.37Å; D389-F391 PolarHBondContact O-N 3.31Å; F391-N393 VanDerWaalsContact C-N 3.33Å; F391-N393 PolarHBondContact O-N 3.32Å; F391-Q394 PolarHBondContact O-N 2.77Å; F391-Q395 WeakPolarHBondContact O-CB 3.48Å; F391-Q395 PolarHBondContact O-N 3.38Å
392M92.7Very high95.5Very high89 Ų8989.9 Ų89.944%0.43846%0.464SS..Hα-helixtrans-61.5-40.4175.3-78.1-64.5-63.700112.1S388 D389 Q395 S396S388-M392 WeakPolarHBondContact O-CB 3.43Å; S388-M392 WeakPolarHBondContact O-CG 3.49Å; S388-M392 PolarHBondContact O-N 2.86Å; D389-M392 PolarHBondContact O-N 3.1Å; M392-Q395 PolarHBondContact O-N 3.46Å; M392-S396 PolarHBondContact O-N 3.06Å
393N95.3Very high95.6Very high106 Ų10689.9 Ų89.957%0.56747%0.467SS*.Hα-helixtrans-63.2-46.8173.9-73.8-39.1000111.5D389 A390 F391 Q395 S396 E397D389-N393 WeakPolarHBondContact O-CB 3.49Å; D389-N393 VanDerWaalsContact O-CG 3.28Å; D389-N393 PolarHBondContact O-N 2.85Å; D389-N393 PolarHBondContact O-ND2 2.85Å; A390-N393 PolarHBondContact O-N 3.3Å; F391-N393 VanDerWaalsContact C-N 3.33Å; F391-N393 PolarHBondContact O-N 3.32Å; N393-Q395 PolarHBondContact O-N 2.82Å; N393-S396 WeakPolarHBondContact O-CB 3.34Å; N393-S396 PolarHBondContact O-N 3.15Å; N393-S396 PolarHBondContact O-OG 2.64Å; N393-E397 PolarHBondContact O-N 3.45Å
394Q96.2Very high95.6Very high124 Ų12493 Ų9358%0.57948%0.475SS*.Hα-helixtrans-60.7-42.6174.2-71.9177.65.100112.2A390 F391 S396 E397 I398A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.37Å; F391-Q394 PolarHBondContact O-N 2.77Å; Q394-S396 VanDerWaalsContact C-N 3.28Å; Q394-S396 PolarHBondContact O-N 3.47Å; Q394-E397 PolarHBondContact O-N 2.73Å; Q394-I398 WeakPolarHBondContact O-CB 3.46Å; Q394-I398 VanDerWaalsContact O-CG1 3.29Å; Q394-I398 WeakPolarHBondContact O-CG1 3.46Å; Q394-I398 PolarHBondContact O-N 3.41Å
395Q95.8Very high95.7Very high64 Ų6489 Ų8930%0.29946%0.463SS..Hα-helixtrans-63.4-33.9176.4-177.958.48700111.7F391 M392 N393 T399F391-Q395 WeakPolarHBondContact O-CB 3.48Å; F391-Q395 PolarHBondContact O-N 3.38Å; M392-Q395 PolarHBondContact O-N 3.46Å; N393-Q395 PolarHBondContact O-N 2.82Å; Q395-T399 PolarHBondContact NE2-OG1 3.35Å; Q395-T399 WeakPolarHBondContact O-CB 3.4Å; Q395-T399 PolarHBondContact O-N 2.94Å; Q395-T399 PolarHBondContact O-OG1 3.35Å
396S93.9Very high95.8Very high72 Ų7291.4 Ų91.450%0.50347%0.469SS..Hα-helixtrans-67.2-43.4173.484.70000112.1M392 N393 Q394 T399 R400M392-S396 PolarHBondContact O-N 3.06Å; N393-S396 WeakPolarHBondContact O-CB 3.34Å; N393-S396 PolarHBondContact O-N 3.15Å; N393-S396 PolarHBondContact O-OG 2.64Å; Q394-S396 VanDerWaalsContact C-N 3.28Å; Q394-S396 PolarHBondContact O-N 3.47Å; S396-T399 PolarHBondContact O-N 2.66Å; S396-R400 WeakPolarHBondContact O-CB 3.42Å; S396-R400 PolarHBondContact O-N 2.89Å
397E95.4Very high95.8Very high72 Ų7290.3 Ų90.334%0.33647%0.469SS..Hα-helixtrans-67.7-44.5178.7176.757.7-161.800111.7N393 Q394 T399 R400 L401N393-E397 PolarHBondContact O-N 3.45Å; Q394-E397 PolarHBondContact O-N 2.73Å; E397-T399 VanDerWaalsContact C-N 3.26Å; E397-T399 PolarHBondContact O-N 3.13Å; E397-R400 WeakPolarHBondContact O-CB 3.44Å; E397-R400 PolarHBondContact O-N 3.33Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 2.62Å; E397-R400 IonicContact OE1-NE 3.8Å; E397-R400 IonicContact OE1-NH2 2.75Å; E397-R400 PolarHBondContact OE1-NH2 3.16Å; E397-R400 IonicContact OE2-CZ 3.49Å; E397-R400 IonicContact OE2-NE 3.71Å; E397-R400 PolarHBondContact OE2-NE 2.76Å; E397-R400 IonicContact OE2-NH2 2.63Å; E397-R400 PolarHBondContact OE2-NH2 3.43Å; E397-L401 HydrophobicContact CG-CD1 4.1Å; E397-L401 HydrophobicContact CG-CG 4.47Å; E397-L401 WeakPolarHBondContact O-CB 3.42Å; E397-L401 WeakPolarHBondContact O-CG 3.29Å; E397-L401 PolarHBondContact O-N 2.89Å; E397-L401 WeakPolarHBondContact OE1-CD1 3.48Å; E397-L401 WeakPolarHBondContact OE1-CG 3.29Å
398I95.4Very high95.8Very high88 Ų8888.1 Ų88.145%0.45146%0.463SS..Hα-helixtrans-57-42.4172.5-68.8164.8000110.4Q394 L401 L402Q394-I398 WeakPolarHBondContact O-CB 3.46Å; Q394-I398 VanDerWaalsContact O-CG1 3.29Å; Q394-I398 WeakPolarHBondContact O-CG1 3.46Å; Q394-I398 PolarHBondContact O-N 3.41Å; I398-L401 PolarHBondContact O-N 2.86Å; I398-L402 HydrophobicContact CG2-CD1 3.96Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.25Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.84Å
399T96.3Very high95.9Very high71 Ų7189.5 Ų89.544%0.43646%0.463SS..Hα-helixtrans-65.8-41.5177.5-53.80000111.6Q395 S396 E397 L402 T403Q395-T399 PolarHBondContact NE2-OG1 3.35Å; Q395-T399 WeakPolarHBondContact O-CB 3.4Å; Q395-T399 PolarHBondContact O-N 2.94Å; Q395-T399 PolarHBondContact O-OG1 3.35Å; S396-T399 PolarHBondContact O-N 2.66Å; E397-T399 VanDerWaalsContact C-N 3.26Å; E397-T399 PolarHBondContact O-N 3.13Å; T399-L402 PolarHBondContact O-N 3.28Å; T399-T403 PolarHBondContact O-N 2.89Å; T399-T403 PolarHBondContact O-OG1 3.27Å; T399-T403 VanDerWaalsContact O-OG1 3.12Å
400R97.7Very high96.1Very high132 Ų13289 Ų8950%0.49846%0.46SS..Hα-helixtrans-63-42.5176.4-170.5-174.169.788.2-2.7112.1S396 E397 R404S396-R400 WeakPolarHBondContact O-CB 3.42Å; S396-R400 PolarHBondContact O-N 2.89Å; E397-R400 WeakPolarHBondContact O-CB 3.44Å; E397-R400 PolarHBondContact O-N 3.33Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 2.62Å; E397-R400 IonicContact OE1-NE 3.8Å; E397-R400 IonicContact OE1-NH2 2.75Å; E397-R400 PolarHBondContact OE1-NH2 3.16Å; E397-R400 IonicContact OE2-CZ 3.49Å; E397-R400 IonicContact OE2-NE 3.71Å; E397-R400 PolarHBondContact OE2-NE 2.76Å; E397-R400 IonicContact OE2-NH2 2.63Å; E397-R400 PolarHBondContact OE2-NH2 3.43Å; R400-R404 WeakPolarHBondContact O-CB 3.47Å; R400-R404 PolarHBondContact O-N 3.36Å
401L97.9Very high96.2Very high85 Ų8594 Ų9445%0.44547%0.469SS..Hα-helixtrans-67.8-39.8176.8-68.9173.9000111.9E397 I398 R404 G405E397-L401 HydrophobicContact CG-CD1 4.1Å; E397-L401 HydrophobicContact CG-CG 4.47Å; E397-L401 WeakPolarHBondContact O-CB 3.42Å; E397-L401 WeakPolarHBondContact O-CG 3.29Å; E397-L401 PolarHBondContact O-N 2.89Å; E397-L401 WeakPolarHBondContact OE1-CD1 3.48Å; E397-L401 WeakPolarHBondContact OE1-CG 3.29Å; I398-L401 PolarHBondContact O-N 2.86Å; L401-R404 PolarHBondContact O-N 3.46Å; L401-G405 PolarHBondContact O-N 2.85Å
402L96.4Very high96.3Very high79 Ų7993.3 Ų93.341%0.41447%0.473SS..Hα-helixtrans-62.4-45.3174-75.6170.2000112.1I398 T399 G405 L406I398-L402 HydrophobicContact CG2-CD1 3.96Å; I398-L402 HydrophobicContact CG2-CG 4.45Å; I398-L402 WeakPolarHBondContact O-CB 3.47Å; I398-L402 VanDerWaalsContact O-CG 3.25Å; I398-L402 WeakPolarHBondContact O-CG 3.3Å; I398-L402 PolarHBondContact O-N 2.84Å; T399-L402 PolarHBondContact O-N 3.28Å; L402-G405 PolarHBondContact O-N 3.42Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.92Å
403T96Very high96.6Very high75 Ų7594.3 Ų94.346%0.4648%0.475SS..Hα-helixtrans-59.4-47.8174.5-580000111.1T399 G405 L406 D407T399-T403 PolarHBondContact O-N 2.89Å; T399-T403 PolarHBondContact O-OG1 3.27Å; T399-T403 VanDerWaalsContact O-OG1 3.12Å; T403-G405 VanDerWaalsContact C-N 3.28Å; T403-G405 PolarHBondContact O-N 3.43Å; T403-L406 PolarHBondContact O-N 2.6Å; T403-D407 PolarHBondContact O-N 3.42Å
404R97.3Very high96.6Very high151 Ų15194.1 Ų94.157%0.5747%0.471SS*.Hα-helixtrans-60-36.7176-175.9179.9179.9-175.81112.6R400 L401 L408R400-R404 WeakPolarHBondContact O-CB 3.47Å; R400-R404 PolarHBondContact O-N 3.36Å; L401-R404 PolarHBondContact O-N 3.46Å; R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.14Å; R404-L408 VanDerWaalsContact O-CG 3.27Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 2.85Å
405G96.6Very high96.6Very high36 Ų3692 Ų9237%0.37146%0.463SS..Hα-helixtrans-62.1-48.5174.900000112L401 L402 T403 L408 E409L401-G405 PolarHBondContact O-N 2.85Å; L402-G405 PolarHBondContact O-N 3.42Å; T403-G405 VanDerWaalsContact C-N 3.28Å; T403-G405 PolarHBondContact O-N 3.43Å; G405-L408 PolarHBondContact O-N 2.94Å; G405-E409 WeakPolarHBondContact O-CB 3.3Å; G405-E409 PolarHBondContact O-N 3.45Å
406L97Very high96.7Very high96 Ų9692.7 Ų92.750%0.50347%0.472SS..Hα-helixtrans-64.4-38.9176.7-67.1169.4000112.4L402 T403 L408 E409 N410L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 2.92Å; T403-L406 PolarHBondContact O-N 2.6Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.37Å; L406-E409 PolarHBondContact O-N 3.39Å; L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 VanDerWaalsContact O-CG 3.22Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 3.02Å
407D97Very high96.8Very high98 Ų9892.1 Ų92.152%0.52447%0.472SS..Hα-helixtrans-62.7-40.4174.9-71.1-30.7000111.8T403 R411T403-D407 PolarHBondContact O-N 3.42Å; D407-R411 WeakPolarHBondContact O-CB 3.13Å; D407-R411 PolarHBondContact O-N 3.19Å
408L97.1Very high96.9Very high100 Ų10092.7 Ų92.752%0.52447%0.474SS..Hα-helixtrans-69.6-42.3175.2-71.9170.2000112R404 G405 L406 N410 R411 V412R404-L408 HydrophobicContact CG-CD1 4.19Å; R404-L408 WeakPolarHBondContact O-CB 3.14Å; R404-L408 VanDerWaalsContact O-CG 3.27Å; R404-L408 WeakPolarHBondContact O-CG 3.38Å; R404-L408 PolarHBondContact O-N 2.85Å; G405-L408 PolarHBondContact O-N 2.94Å; L406-L408 VanDerWaalsContact C-N 3.34Å; L406-L408 PolarHBondContact O-N 3.37Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.14Å; L408-R411 PolarHBondContact O-N 3Å; L408-V412 WeakPolarHBondContact O-CG2 3.4Å; L408-V412 PolarHBondContact O-N 2.92Å
409E97.3Very high96.9Very high91 Ų9192.9 Ų92.943%0.42548%0.476SS..Hα-helixtrans-60.2-43.9175.4-167-164.7152.400111.3G405 L406 V412 K413G405-E409 WeakPolarHBondContact O-CB 3.3Å; G405-E409 PolarHBondContact O-N 3.45Å; L406-E409 PolarHBondContact O-N 3.39Å; E409-V412 PolarHBondContact O-N 3.45Å; E409-K413 WeakPolarHBondContact O-CG 3.31Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 WeakPolarHBondContact OE1-CE 3.41Å; E409-K413 IonicContact OE1-NZ 3.61Å; E409-K413 PolarHBondContact OE1-NZ 3Å
410N97Very high96.9Very high90 Ų9095 Ų9548%0.48148%0.481SS..Hα-helixtrans-64.9-39.1174.7-72.7-36.4000112.1L406 L408 K413 Q414L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 VanDerWaalsContact O-CG 3.22Å; L406-N410 PolarHBondContact O-N 2.86Å; L406-N410 PolarHBondContact O-ND2 3.02Å; L408-N410 VanDerWaalsContact C-N 3.34Å; L408-N410 PolarHBondContact O-N 3.14Å; N410-K413 PolarHBondContact O-N 3.12Å; N410-Q414 PolarHBondContact O-N 3.21Å
411R97.6Very high96.8Very high150 Ų15093.9 Ų93.957%0.56648%0.483SS*.Hα-helixtrans-64.1-40.5173.4175.962.478.7977.6112.1D407 L408 Q414 L415D407-R411 WeakPolarHBondContact O-CB 3.13Å; D407-R411 PolarHBondContact O-N 3.19Å; L408-R411 PolarHBondContact O-N 3Å; R411-Q414 PolarHBondContact O-N 2.89Å; R411-L415 HydrophobicContact CG-CD1 4.02Å; R411-L415 HydrophobicContact CG-CG 4.48Å; R411-L415 WeakPolarHBondContact O-CG 3.14Å; R411-L415 PolarHBondContact O-N 2.71Å
412V97.3Very high96.8Very high90 Ų9094.8 Ų94.855%0.54549%0.488SS..Hα-helixtrans-62.1-49.4175.5169.90000110L408 E409 Q414 L415 T416L408-V412 WeakPolarHBondContact O-CG2 3.4Å; L408-V412 PolarHBondContact O-N 2.92Å; E409-V412 PolarHBondContact O-N 3.45Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 2.91Å; V412-L415 PolarHBondContact O-N 3.49Å; V412-L415 VanDerWaalsContact O-N 3.13Å; V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3.32Å; V412-T416 VanDerWaalsContact O-OG1 3.13Å
413K97.2Very high96.8Very high111 Ų11194.2 Ų94.248%0.48348%0.484SS..Hα-helixtrans-56.7-41.7176-70.6169.4-174.7168.70112.8E409 N410 T416 A417E409-K413 WeakPolarHBondContact O-CG 3.31Å; E409-K413 PolarHBondContact O-N 3.04Å; E409-K413 WeakPolarHBondContact OE1-CE 3.41Å; E409-K413 IonicContact OE1-NZ 3.61Å; E409-K413 PolarHBondContact OE1-NZ 3Å; N410-K413 PolarHBondContact O-N 3.12Å; K413-T416 PolarHBondContact O-N 3.32Å; K413-A417 PolarHBondContact O-N 2.9Å
414Q97.2Very high96.8Very high102 Ų10292.3 Ų92.348%0.47748%0.479SS..Hα-helixtrans-61.9-49.1174.8-179.3179.7-9.700111.5N410 R411 V412 T416 A417 E418N410-Q414 PolarHBondContact O-N 3.21Å; R411-Q414 PolarHBondContact O-N 2.89Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 2.91Å; Q414-T416 VanDerWaalsContact C-N 3.31Å; Q414-T416 PolarHBondContact O-N 3.29Å; Q414-A417 PolarHBondContact O-N 3.04Å; Q414-A417 VanDerWaalsContact O-N 3.17Å; Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 VanDerWaalsContact CG-OE1 3.32Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 2.95Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 3.46Å
415L96Very high96.8Very high79 Ų7992 Ų9241%0.41448%0.478SS..Hα-helixtrans-64.8-33.2179.3-70.6171.2000112.5R411 V412 N419R411-L415 HydrophobicContact CG-CD1 4.02Å; R411-L415 HydrophobicContact CG-CG 4.48Å; R411-L415 WeakPolarHBondContact O-CG 3.14Å; R411-L415 PolarHBondContact O-N 2.71Å; V412-L415 PolarHBondContact O-N 3.49Å; V412-L415 VanDerWaalsContact O-N 3.13Å; L415-N419 WeakPolarHBondContact O-CB 3.42Å; L415-N419 VanDerWaalsContact O-CG 3.31Å; L415-N419 PolarHBondContact O-N 3.47Å; L415-N419 PolarHBondContact O-ND2 3.33Å
416T97.3Very high96.8Very high79 Ų7996 Ų9649%0.48549%0.49SS..Hα-helixtrans-63.6-46.3171-59.10000111.2V412 K413 Q414 N419 E420V412-T416 PolarHBondContact O-N 3.21Å; V412-T416 PolarHBondContact O-OG1 3.32Å; V412-T416 VanDerWaalsContact O-OG1 3.13Å; K413-T416 PolarHBondContact O-N 3.32Å; Q414-T416 VanDerWaalsContact C-N 3.31Å; Q414-T416 PolarHBondContact O-N 3.29Å; T416-N419 PolarHBondContact O-N 3.39Å; T416-E420 PolarHBondContact O-N 3.47Å
417A96.6Very high96.8Very high60 Ų6097.1 Ų97.150%0.49649%0.491SS..Hα-helixtrans-66-37177.800000113K413 Q414 M421K413-A417 PolarHBondContact O-N 2.9Å; Q414-A417 PolarHBondContact O-N 3.04Å; Q414-A417 VanDerWaalsContact O-N 3.17Å; A417-M421 PolarHBondContact O-N 2.83Å
418E97Very high96.8Very high83 Ų8398.5 Ų98.539%0.38849%0.494SS..Hα-helixtrans-66.2-40.5173.4-73.1172.2-172.500111.5Q414 M421 L422Q414-E418 HydrophobicContact CG-CG 4.46Å; Q414-E418 VanDerWaalsContact CG-OE1 3.32Å; Q414-E418 WeakPolarHBondContact CG-OE1 3.4Å; Q414-E418 PolarHBondContact NE2-OE1 2.95Å; Q414-E418 WeakPolarHBondContact O-CG 3.5Å; Q414-E418 PolarHBondContact O-N 3.46Å; E418-M421 PolarHBondContact O-N 3.08Å; E418-L422 WeakPolarHBondContact O-CG 3.38Å; E418-L422 PolarHBondContact O-N 3.06Å
419N95.3Very high96.6Very high92 Ų9297.9 Ų97.949%0.49250%0.495SS..Hα-helixtrans-63.8-45.9173.9-80.4-45000112.5L415 T416 M421 L422 I423L415-N419 WeakPolarHBondContact O-CB 3.42Å; L415-N419 VanDerWaalsContact O-CG 3.31Å; L415-N419 PolarHBondContact O-N 3.47Å; L415-N419 PolarHBondContact O-ND2 3.33Å; T416-N419 PolarHBondContact O-N 3.39Å; N419-M421 VanDerWaalsContact C-N 3.3Å; N419-M421 PolarHBondContact O-N 3.42Å; N419-L422 PolarHBondContact O-N 2.84Å; N419-L422 VanDerWaalsContact O-N 3.15Å; N419-I423 WeakPolarHBondContact O-CB 3.4Å; N419-I423 VanDerWaalsContact O-CG1 3.28Å; N419-I423 WeakPolarHBondContact O-CG1 3.15Å; N419-I423 PolarHBondContact O-N 3.44Å
420E96Very high96.7Very high117 Ų11799.4 Ų99.455%0.54750%0.502SS..Hα-helixtrans-60.9-39175.9-74.3-57.9141.800111.9T416 L422 I423 G424T416-E420 PolarHBondContact O-N 3.47Å; E420-L422 PolarHBondContact O-N 3.04Å; E420-I423 PolarHBondContact O-N 2.98Å; E420-G424 PolarHBondContact O-N 2.99Å
421M95.9Very high96.6Very high107 Ų107100.5 Ų100.553%0.52751%0.506SS..Hα-helixtrans-63-41.8173.7-170.5-170.2-58.700112.2A417 E418 N419 G424 R425A417-M421 PolarHBondContact O-N 2.83Å; E418-M421 PolarHBondContact O-N 3.08Å; N419-M421 VanDerWaalsContact C-N 3.3Å; N419-M421 PolarHBondContact O-N 3.42Å; M421-G424 PolarHBondContact O-N 3.01Å; M421-R425 WeakPolarHBondContact O-CG 3.45Å; M421-R425 PolarHBondContact O-N 3.06Å; M421-R425 PolarHBondContact SD-NH2 3.07Å
422L97.3Very high96.4Very high105 Ų10596.1 Ų96.155%0.5550%0.499SS..Hα-helixtrans-68.3-38.3176.9-70.7171.8000112E418 N419 E420 G424 R425 L426E418-L422 WeakPolarHBondContact O-CG 3.38Å; E418-L422 PolarHBondContact O-N 3.06Å; N419-L422 PolarHBondContact O-N 2.84Å; N419-L422 VanDerWaalsContact O-N 3.15Å; E420-L422 PolarHBondContact O-N 3.04Å; L422-G424 VanDerWaalsContact C-N 3.34Å; L422-R425 PolarHBondContact O-N 2.95Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.45Å
423I97.4Very high96.4Very high67 Ų6797.9 Ų97.934%0.34450%0.501SS..Hα-helixtrans-63.5-40.7172.9-69.6165000110.6N419 E420 L426 K427N419-I423 WeakPolarHBondContact O-CB 3.4Å; N419-I423 VanDerWaalsContact O-CG1 3.28Å; N419-I423 WeakPolarHBondContact O-CG1 3.15Å; N419-I423 PolarHBondContact O-N 3.44Å; E420-I423 PolarHBondContact O-N 2.98Å; I423-L426 PolarHBondContact O-N 3.22Å; I423-K427 HydrophobicContact CG2-CD 4.21Å; I423-K427 VanDerWaalsContact O-CG 3.32Å; I423-K427 WeakPolarHBondContact O-CG 3.36Å; I423-K427 PolarHBondContact O-N 3.01Å
424G96.5Very high96.3Very high34 Ų3496 Ų9635%0.35150%0.502SS..Hα-helixtrans-58.6-53.4172.900000112.4E420 M421 L422 L426 K427 E428E420-G424 PolarHBondContact O-N 2.99Å; M421-G424 PolarHBondContact O-N 3.01Å; L422-G424 VanDerWaalsContact C-N 3.34Å; G424-L426 VanDerWaalsContact C-N 3.29Å; G424-L426 PolarHBondContact O-N 3.14Å; G424-K427 WeakPolarHBondContact O-CB 3.38Å; G424-K427 PolarHBondContact O-N 3.46Å; G424-K427 VanDerWaalsContact O-N 3.17Å; G424-E428 PolarHBondContact O-N 3.14Å
425R96.6Very high96.3Very high146 Ų14695.7 Ų95.755%0.55150%0.503SS*.Hα-helixtrans-61.9-34.7177.5-70.1177.6-175.5-168.42.6113M421 L422 T429M421-R425 WeakPolarHBondContact O-CG 3.45Å; M421-R425 PolarHBondContact O-N 3.06Å; M421-R425 PolarHBondContact SD-NH2 3.07Å; L422-R425 PolarHBondContact O-N 2.95Å; R425-T429 WeakPolarHBondContact O-CB 3.34Å; R425-T429 PolarHBondContact O-N 3.23Å; R425-T429 PolarHBondContact O-OG1 3.42Å
426L96.4Very high96.3Very high118 Ų11896.7 Ų96.762%0.61851%0.509SS*.Hα-helixtrans-65.5-45174.9-179.761.6000111L422 I423 G424 T429 Q430L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.45Å; I423-L426 PolarHBondContact O-N 3.22Å; G424-L426 VanDerWaalsContact C-N 3.29Å; G424-L426 PolarHBondContact O-N 3.14Å; L426-T429 PolarHBondContact O-N 3.29Å; L426-Q430 VanDerWaalsContact O-CB 3.29Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 2.85Å
427K97.4Very high96.2Very high120 Ų12097 Ų9752%0.52251%0.511SS..Hα-helixtrans-61.4-45.3174.8-71.1166179.9172.40111.7I423 G424 Q430 I431I423-K427 HydrophobicContact CG2-CD 4.21Å; I423-K427 VanDerWaalsContact O-CG 3.32Å; I423-K427 WeakPolarHBondContact O-CG 3.36Å; I423-K427 PolarHBondContact O-N 3.01Å; G424-K427 WeakPolarHBondContact O-CB 3.38Å; G424-K427 PolarHBondContact O-N 3.46Å; G424-K427 VanDerWaalsContact O-N 3.17Å; K427-Q430 PolarHBondContact O-N 3.46Å; K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.47Å; K427-I431 PolarHBondContact O-N 3.28Å
428E95.6Very high96.2Very high127 Ų12797.2 Ų97.259%0.59351%0.508SS*.Hα-helixtrans-60.9-44.5176.7-176.2178.5-159.300112G424 I431 S432G424-E428 PolarHBondContact O-N 3.14Å; E428-I431 PolarHBondContact O-N 2.89Å; E428-S432 WeakPolarHBondContact O-CB 3.44Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.73Å
429T94.6Very high96.1Very high88 Ų8897.7 Ų97.754%0.5451%0.51SS..Hα-helixtrans-64.2-40.4175-55.70000111.4R425 L426 S432 Q433R425-T429 WeakPolarHBondContact O-CB 3.34Å; R425-T429 PolarHBondContact O-N 3.23Å; R425-T429 PolarHBondContact O-OG1 3.42Å; L426-T429 PolarHBondContact O-N 3.29Å; T429-S432 PolarHBondContact O-N 2.94Å; T429-Q433 WeakPolarHBondContact O-CB 3.14Å; T429-Q433 PolarHBondContact O-N 2.93Å
430Q97.8Very high96.2Very high122 Ų12299 Ų9957%0.5752%0.517SS*.Hα-helixtrans-65.7-40.1176.8-177-179.6-7.100111.9L426 K427 Q433 S434L426-Q430 VanDerWaalsContact O-CB 3.29Å; L426-Q430 WeakPolarHBondContact O-CB 3.35Å; L426-Q430 PolarHBondContact O-N 2.85Å; K427-Q430 PolarHBondContact O-N 3.46Å; Q430-Q433 PolarHBondContact O-N 2.72Å; Q430-S434 WeakPolarHBondContact O-CB 3.36Å; Q430-S434 PolarHBondContact O-N 2.7Å
431I96Very high96.2Very high113 Ų11399.6 Ų99.658%0.57952%0.518SS*.Hα-helixtrans-62-49.9173.2-69.6162.8000109.7K427 E428 Q433 S434 L435K427-I431 VanDerWaalsContact O-CG1 3.28Å; K427-I431 WeakPolarHBondContact O-CG1 3.47Å; K427-I431 PolarHBondContact O-N 3.28Å; E428-I431 PolarHBondContact O-N 2.89Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; I431-S434 PolarHBondContact O-N 3.31Å; I431-S434 PolarHBondContact O-OG 2.85Å; I431-L435 PolarHBondContact O-N 2.67Å
432S93.7Very high96.2Very high59 Ų5998.4 Ų98.441%0.41351%0.513SS..Hα-helixtrans-58.3-41.9177.1-55.90000112.5E428 T429 L435 L436E428-S432 WeakPolarHBondContact O-CB 3.44Å; E428-S432 PolarHBondContact O-N 2.97Å; E428-S432 PolarHBondContact O-OG 2.73Å; T429-S432 PolarHBondContact O-N 2.94Å; S432-L435 PolarHBondContact O-N 3Å; S432-L436 WeakPolarHBondContact O-CG 3.27Å; S432-L436 PolarHBondContact O-N 2.9Å
433Q96.3Very high96.1Very high127 Ų12797.4 Ų97.459%0.59351%0.508SS*.Hα-helixtrans-64.7-40.2174.6-173.1-179.336.400111.7T429 Q430 I431 T437T429-Q433 WeakPolarHBondContact O-CB 3.14Å; T429-Q433 PolarHBondContact O-N 2.93Å; Q430-Q433 PolarHBondContact O-N 2.72Å; I431-Q433 VanDerWaalsContact C-N 3.32Å; I431-Q433 PolarHBondContact O-N 3.21Å; Q433-T437 VanDerWaalsContact O-CB 3.3Å; Q433-T437 WeakPolarHBondContact O-CB 3.5Å; Q433-T437 PolarHBondContact O-N 3.11Å; Q433-T437 PolarHBondContact O-OG1 3.34Å
434S96Very high96.1Very high71 Ų71102.3 Ų102.350%0.49752%0.522SS..Hα-helixtrans-66.5-38.6178.176.90000112.2Q430 I431 T437 S438Q430-S434 WeakPolarHBondContact O-CB 3.36Å; Q430-S434 PolarHBondContact O-N 2.7Å; I431-S434 PolarHBondContact O-N 3.31Å; I431-S434 PolarHBondContact O-OG 2.85Å; S434-T437 PolarHBondContact O-N 3.1Å; S434-S438 PolarHBondContact O-N 2.85Å
435L96.5Very high96.1Very high96 Ų96104.4 Ų104.450%0.50353%0.525SS..Hα-helixtrans-61.9-55.2174.2-17963.7000110.8I431 S432 T437 S438 E439I431-L435 PolarHBondContact O-N 2.67Å; S432-L435 PolarHBondContact O-N 3Å; L435-T437 PolarHBondContact O-N 3.5Å; L435-S438 CarbonylContact O-C 3.48Å; L435-S438 WeakPolarHBondContact O-CA 3.41Å; L435-S438 WeakPolarHBondContact O-CB 3.4Å; L435-S438 PolarHBondContact O-N 3.04Å; L435-S438 PolarHBondContact O-OG 2.88Å; L435-E439 PolarHBondContact O-N 3.12Å
436L95.8Very high96.1Very high100 Ų100102.5 Ų102.552%0.52452%0.521SS..Hα-helixtrans-58.3-35.8176.9-70.1168.9000112.4S432 E439 L440S432-L436 WeakPolarHBondContact O-CG 3.27Å; S432-L436 PolarHBondContact O-N 2.9Å; L436-E439 PolarHBondContact O-N 3.34Å; L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.14Å
437T96.6Very high96.2Very high86 Ų86104.8 Ų104.853%0.52852%0.523SS..Hα-helixtrans-66.4-39174.2-58.20000111.5Q433 S434 L435 K441Q433-T437 VanDerWaalsContact O-CB 3.3Å; Q433-T437 WeakPolarHBondContact O-CB 3.5Å; Q433-T437 PolarHBondContact O-N 3.11Å; Q433-T437 PolarHBondContact O-OG1 3.34Å; S434-T437 PolarHBondContact O-N 3.1Å; L435-T437 PolarHBondContact O-N 3.5Å; T437-K441 PolarHBondContact O-N 2.77Å
438S95.3Very high96.2Very high63 Ų63103.1 Ų103.144%0.44152%0.519SS..Hα-helixtrans-69-35.9175.580.60000112.7S434 L435 K441 N442S434-S438 PolarHBondContact O-N 2.85Å; L435-S438 CarbonylContact O-C 3.48Å; L435-S438 WeakPolarHBondContact O-CA 3.41Å; L435-S438 WeakPolarHBondContact O-CB 3.4Å; L435-S438 PolarHBondContact O-N 3.04Å; L435-S438 PolarHBondContact O-OG 2.88Å; S438-K441 PolarHBondContact O-N 3.39Å; S438-N442 VanDerWaalsContact O-CB 3.31Å; S438-N442 WeakPolarHBondContact O-CB 3.34Å; S438-N442 PolarHBondContact O-N 2.95Å
439E96.2Very high96.2Very high94 Ų94102.6 Ų102.644%0.43952%0.517SS..Hα-helixtrans-67.1-45.5173.7-70.6179.6177.500111.6L435 L436 K441 N442 L443L435-E439 PolarHBondContact O-N 3.12Å; L436-E439 PolarHBondContact O-N 3.34Å; E439-K441 VanDerWaalsContact C-N 3.26Å; E439-K441 PolarHBondContact O-N 3.11Å; E439-N442 PolarHBondContact O-N 3.42Å; E439-L443 WeakPolarHBondContact O-CB 3.2Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 2.82Å
440L96.5Very high96.3Very high119 Ų119102.1 Ų102.162%0.62352%0.517SS*.Hα-helixtrans-61.2-34.4174-74.2172.2000112.4L436 R444L436-L440 WeakPolarHBondContact O-CB 3.36Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.14Å; L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.43Å
441K96.2Very high96.3Very high130 Ų130100.7 Ų100.757%0.56551%0.512SS*.Hα-helixtrans-67.4-50.8171.1-169-162168.5-164.20111.2T437 S438 E439 L443 R444 D445T437-K441 PolarHBondContact O-N 2.77Å; S438-K441 PolarHBondContact O-N 3.39Å; E439-K441 VanDerWaalsContact C-N 3.26Å; E439-K441 PolarHBondContact O-N 3.11Å; K441-L443 VanDerWaalsContact C-N 3.27Å; K441-L443 PolarHBondContact O-N 2.78Å; K441-R444 CarbonylContact O-C 3.49Å; K441-R444 WeakPolarHBondContact O-CA 3.46Å; K441-R444 WeakPolarHBondContact O-CB 3.43Å; K441-R444 PolarHBondContact O-N 3.25Å; K441-D445 VanDerWaalsContact CE-OD2 3.31Å; K441-D445 WeakPolarHBondContact CE-OD2 3.34Å; K441-D445 IonicContact NZ-OD2 3.97Å; K441-D445 PolarHBondContact O-N 2.81Å
442N96.6Very high96.3Very high82 Ų8299.6 Ų99.644%0.43951%0.511SS..Hα-helixtrans-56.7-40.3179-172.8-44.3000112S438 E439 K446S438-N442 VanDerWaalsContact O-CB 3.31Å; S438-N442 WeakPolarHBondContact O-CB 3.34Å; S438-N442 PolarHBondContact O-N 2.95Å; E439-N442 PolarHBondContact O-N 3.42Å; N442-K446 WeakPolarHBondContact O-CD 3.32Å; N442-K446 WeakPolarHBondContact O-CG 3.32Å; N442-K446 PolarHBondContact O-N 3.38Å; N442-K446 VanDerWaalsContact O-N 3.1Å; N442-K446 WeakPolarHBondContact OD1-CE 3.43Å; N442-K446 PolarHBondContact OD1-NZ 3.48Å
443L94.9Very high96.3Very high84 Ų84101.3 Ų101.344%0.4452%0.515SS..Hα-helixtrans-65.8-43.1172.5-71.4171.6000112.4E439 K441 K446 Y447E439-L443 WeakPolarHBondContact O-CB 3.2Å; E439-L443 WeakPolarHBondContact O-CG 3.42Å; E439-L443 PolarHBondContact O-N 2.82Å; K441-L443 VanDerWaalsContact C-N 3.27Å; K441-L443 PolarHBondContact O-N 2.78Å; L443-K446 PolarHBondContact O-N 3.43Å; L443-Y447 HydrophobicContact CB-CE2 4.33Å; L443-Y447 WeakPolarHBondContact O-CD2 3.32Å; L443-Y447 PolarHBondContact O-N 2.79Å
444R97.5Very high96.3Very high169 Ų169102 Ų10264%0.63851%0.513SS*.Hα-helixtrans-59.1-50.6173.2177.7-176.8-63.3-127.4-1.1111.6L440 K441 K446 Y447 D448L440-R444 WeakPolarHBondContact O-CB 3.28Å; L440-R444 PolarHBondContact O-N 3.43Å; K441-R444 CarbonylContact O-C 3.49Å; K441-R444 WeakPolarHBondContact O-CA 3.46Å; K441-R444 WeakPolarHBondContact O-CB 3.43Å; K441-R444 PolarHBondContact O-N 3.25Å; R444-K446 PolarHBondContact O-N 2.78Å; R444-Y447 WeakPolarHBondContact O-CA 3.4Å; R444-Y447 WeakPolarHBondContact O-CB 3.37Å; R444-Y447 PolarHBondContact O-N 2.75Å; R444-D448 PolarHBondContact O-N 3.08Å
445D96.5Very high96.4Very high78 Ų78101.1 Ų101.142%0.41750%0.503SS..Hα-helixtrans-57.4-38.8-178.4-61.8-17.1000110.3K441 D448 E449K441-D445 VanDerWaalsContact CE-OD2 3.31Å; K441-D445 WeakPolarHBondContact CE-OD2 3.34Å; K441-D445 IonicContact NZ-OD2 3.97Å; K441-D445 PolarHBondContact O-N 2.81Å; D445-D448 PolarHBondContact O-N 2.79Å; D445-E449 WeakPolarHBondContact O-CB 3.4Å; D445-E449 PolarHBondContact O-N 3.22Å
446K96.7Very high96.3Very high106 Ų106102.8 Ų102.846%0.46151%0.508SS..Hα-helixtrans-68.2-36.5171.4-75.5165.8173.8157.50114.7N442 L443 R444 C450N442-K446 WeakPolarHBondContact O-CD 3.32Å; N442-K446 WeakPolarHBondContact O-CG 3.32Å; N442-K446 PolarHBondContact O-N 3.38Å; N442-K446 VanDerWaalsContact O-N 3.1Å; N442-K446 WeakPolarHBondContact OD1-CE 3.43Å; N442-K446 PolarHBondContact OD1-NZ 3.48Å; L443-K446 PolarHBondContact O-N 3.43Å; R444-K446 PolarHBondContact O-N 2.78Å; K446-C450 WeakPolarHBondContact O-CB 3.39Å; K446-C450 PolarHBondContact O-N 2.91Å; K446-C450 PolarHBondContact O-SG 2.84Å
447Y97.7Very high96.2Very high167 Ų167100.1 Ų100.166%0.65550%0.501SS*.Hα-helixtrans-68-38.9174.1-74.9-58.4000111.3L443 R444 C450 L451L443-Y447 HydrophobicContact CB-CE2 4.33Å; L443-Y447 WeakPolarHBondContact O-CD2 3.32Å; L443-Y447 PolarHBondContact O-N 2.79Å; R444-Y447 WeakPolarHBondContact O-CA 3.4Å; R444-Y447 WeakPolarHBondContact O-CB 3.37Å; R444-Y447 PolarHBondContact O-N 2.75Å; Y447-C450 PolarHBondContact O-N 3.23Å; Y447-L451 WeakPolarHBondContact O-CB 3.29Å; Y447-L451 PolarHBondContact O-N 3.29Å
448D97.4Very high96.2Very high84 Ų84101.7 Ų101.745%0.44950%0.497SS..Hα-helixtrans-68.9-37.8175.8-73.4-36000111.3R444 D445 L451 T452R444-D448 PolarHBondContact O-N 3.08Å; D445-D448 PolarHBondContact O-N 2.79Å; D448-L451 CarbonylContact O-C 3.36Å; D448-L451 WeakPolarHBondContact O-CB 3.26Å; D448-L451 PolarHBondContact O-N 2.95Å; D448-L451 VanDerWaalsContact O-N 3.16Å; D448-T452 PolarHBondContact O-N 2.91Å
449E96.3Very high96.1Very high116 Ų116103.4 Ų103.454%0.54250%0.5SS..Hα-helixtrans-60-47.1168.7-177.9-178.5-160.500112.2D445 L451 T452 L453D445-E449 WeakPolarHBondContact O-CB 3.4Å; D445-E449 PolarHBondContact O-N 3.22Å; E449-L451 PolarHBondContact O-N 3.35Å; E449-T452 PolarHBondContact O-N 2.87Å; E449-T452 PolarHBondContact O-OG1 2.78Å; E449-L453 HydrophobicContact CG-CD1 4.24Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 2.81Å
450C96.5Very high95.9Very high79 Ų79104.7 Ų104.753%0.53451%0.506SS..Hα-helixtrans-59.4-34.3173.5-69.50000112.1K446 Y447 Y454K446-C450 WeakPolarHBondContact O-CB 3.39Å; K446-C450 PolarHBondContact O-N 2.91Å; K446-C450 PolarHBondContact O-SG 2.84Å; Y447-C450 PolarHBondContact O-N 3.23Å; C450-Y454 VanDerWaalsContact O-CB 3.27Å; C450-Y454 WeakPolarHBondContact O-CB 3.46Å; C450-Y454 PolarHBondContact O-N 2.87Å
451L96.6Very high95.6Very high91 Ų91102.8 Ų102.848%0.47650%0.496SS..Hα-helixtrans-75.6-33.6179-176.560.8000112.9Y447 D448 E449 Y454 N455Y447-L451 WeakPolarHBondContact O-CB 3.29Å; Y447-L451 PolarHBondContact O-N 3.29Å; D448-L451 CarbonylContact O-C 3.36Å; D448-L451 WeakPolarHBondContact O-CB 3.26Å; D448-L451 PolarHBondContact O-N 2.95Å; D448-L451 VanDerWaalsContact O-N 3.16Å; E449-L451 PolarHBondContact O-N 3.35Å; L451-Y454 HydrophobicContact CD1-CD1 4.46Å; L451-N455 WeakPolarHBondContact O-CB 3.44Å; L451-N455 PolarHBondContact O-N 3.27Å; L451-N455 VanDerWaalsContact O-N 3.09Å; L451-N455 PolarHBondContact O-ND2 3.34Å
452T95.9Very high95.4Very high90 Ų90102.5 Ų102.555%0.55249%0.491SS*.Hα-helixtrans-68.3-48.9172.156.90000110.4D448 E449 Y454 N455 E456D448-T452 PolarHBondContact O-N 2.91Å; E449-T452 PolarHBondContact O-N 2.87Å; E449-T452 PolarHBondContact O-OG1 2.78Å; T452-Y454 VanDerWaalsContact C-N 3.33Å; T452-Y454 PolarHBondContact O-N 2.85Å; T452-N455 CarbonylContact O-C 3.56Å; T452-N455 PolarHBondContact O-N 2.63Å; T452-E456 PolarHBondContact O-N 3.05Å
453L95.3Very high95.1Very high95 Ų95100.1 Ų100.150%0.49749%0.487SS..Hα-helixtrans-57.9-42.1176-68.8171.3000112.3E449 N455 E456 A457E449-L453 HydrophobicContact CG-CD1 4.24Å; E449-L453 WeakPolarHBondContact O-CG 3.31Å; E449-L453 PolarHBondContact O-N 2.81Å; L453-N455 PolarHBondContact O-N 3.32Å; L453-E456 PolarHBondContact O-N 3.45Å; L453-A457 WeakPolarHBondContact O-CB 3.49Å; L453-A457 PolarHBondContact O-N 2.98Å
454Y96.3Very high94.6Very high143 Ų143100.4 Ų100.456%0.56149%0.488SS*.Hα-helixtrans-61.1-42.5173.4172.6-98.2000112.4C450 L451 T452 R458C450-Y454 VanDerWaalsContact O-CB 3.27Å; C450-Y454 WeakPolarHBondContact O-CB 3.46Å; C450-Y454 PolarHBondContact O-N 2.87Å; L451-Y454 HydrophobicContact CD1-CD1 4.46Å; T452-Y454 VanDerWaalsContact C-N 3.33Å; T452-Y454 PolarHBondContact O-N 2.85Å; Y454-R458 VanDerWaalsContact O-CB 3.26Å; Y454-R458 WeakPolarHBondContact O-CB 3.33Å; Y454-R458 PolarHBondContact O-N 3.2Å
455N96.3Very high94.2Very high51 Ų51100.8 Ų100.827%0.27349%0.49SS..Hα-helixtrans-71.2-35.3177.6-82.4-69.2000112.5L451 T452 L453 R458 L459L451-N455 WeakPolarHBondContact O-CB 3.44Å; L451-N455 PolarHBondContact O-N 3.27Å; L451-N455 VanDerWaalsContact O-N 3.09Å; L451-N455 PolarHBondContact O-ND2 3.34Å; T452-N455 CarbonylContact O-C 3.56Å; T452-N455 PolarHBondContact O-N 2.63Å; L453-N455 PolarHBondContact O-N 3.32Å; N455-R458 CarbonylContact O-C 3.53Å; N455-R458 PolarHBondContact O-N 3.39Å; N455-R458 PolarHBondContact OD1-NH2 2.96Å; N455-L459 WeakPolarHBondContact O-CB 3.26Å; N455-L459 VanDerWaalsContact O-CG 3.3Å; N455-L459 WeakPolarHBondContact O-CG 3.19Å; N455-L459 PolarHBondContact O-N 2.97Å
456E94.4Very high93.5Very high131 Ų131104.2 Ų104.261%0.61250%0.501SS*.Hα-helixtrans-62.7-53.1173.4-178.2168.1-157.300111T452 L453 R458 L459 E460T452-E456 PolarHBondContact O-N 3.05Å; L453-E456 PolarHBondContact O-N 3.45Å; E456-R458 PolarHBondContact O-N 3.43Å; E456-L459 CarbonylContact O-C 3.56Å; E456-L459 WeakPolarHBondContact O-CA 3.48Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.47Å; E456-E460 PolarHBondContact O-N 3.39Å
457A95Very high92.7Very high45 Ų45108.4 Ų108.437%0.37251%0.514SS..Hα-helixtrans-56.6-37.5174.600000112L453 L459 E460 I461L453-A457 WeakPolarHBondContact O-CB 3.49Å; L453-A457 PolarHBondContact O-N 2.98Å; A457-L459 VanDerWaalsContact C-N 3.35Å; A457-L459 PolarHBondContact O-N 2.9Å; A457-E460 PolarHBondContact O-N 2.87Å; A457-I461 WeakPolarHBondContact O-CB 3.31Å; A457-I461 WeakPolarHBondContact O-CD1 3.23Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.23Å; A457-I461 PolarHBondContact O-N 3.23Å
458R95.9Very high91.4Very high118 Ų118104.9 Ų104.945%0.44551%0.513SS..Hα-helixtrans-69.5-29.2175.1-165.117369.4146.9-3.1113Y454 N455 E456 R462Y454-R458 VanDerWaalsContact O-CB 3.26Å; Y454-R458 WeakPolarHBondContact O-CB 3.33Å; Y454-R458 PolarHBondContact O-N 3.2Å; N455-R458 CarbonylContact O-C 3.53Å; N455-R458 PolarHBondContact O-N 3.39Å; N455-R458 PolarHBondContact OD1-NH2 2.96Å; E456-R458 PolarHBondContact O-N 3.43Å; R458-R462 WeakPolarHBondContact O-CB 3.31Å; R458-R462 PolarHBondContact O-N 3.43Å
459L94Very high89.8Confident99 Ų99111 Ų11152%0.51853%0.53SS..Hα-helixtrans-77.2-38.4171.5-74.2171.6000111.8N455 E456 A457 R462 G463N455-L459 WeakPolarHBondContact O-CB 3.26Å; N455-L459 VanDerWaalsContact O-CG 3.3Å; N455-L459 WeakPolarHBondContact O-CG 3.19Å; N455-L459 PolarHBondContact O-N 2.97Å; E456-L459 CarbonylContact O-C 3.56Å; E456-L459 WeakPolarHBondContact O-CA 3.48Å; E456-L459 WeakPolarHBondContact O-CB 3.48Å; E456-L459 PolarHBondContact O-N 3.47Å; A457-L459 VanDerWaalsContact C-N 3.35Å; A457-L459 PolarHBondContact O-N 2.9Å; L459-R462 CarbonylContact O-C 3.52Å; L459-R462 WeakPolarHBondContact O-CB 3.43Å; L459-R462 PolarHBondContact O-N 3.31Å; L459-G463 PolarHBondContact O-N 2.98Å
460E92Very high88Confident121 Ų121116.1 Ų116.157%0.56555%0.545SS*.Hα-helixtrans-63-50.8174.7-165.1-159.8177.800110.4E456 A457 R462 G463 L464E456-E460 PolarHBondContact O-N 3.39Å; A457-E460 PolarHBondContact O-N 2.87Å; E460-R462 PolarHBondContact O-N 3.49Å; E460-G463 CarbonylContact O-C 3.57Å; E460-G463 WeakPolarHBondContact O-CA 3.36Å; E460-G463 PolarHBondContact O-N 3.04Å; E460-L464 HydrophobicContact CG-CD1 4.23Å; E460-L464 HydrophobicContact CG-CG 4.38Å; E460-L464 WeakPolarHBondContact O-CG 3.39Å; E460-L464 PolarHBondContact O-N 2.62Å
461I89.3Confident86Confident79 Ų79115.5 Ų115.541%0.40555%0.551SS.*Hα-helixtrans-55.3-37.7173.6-70.6166.1000111A457 R465A457-I461 WeakPolarHBondContact O-CB 3.31Å; A457-I461 WeakPolarHBondContact O-CD1 3.23Å; A457-I461 VanDerWaalsContact O-CG1 3.23Å; A457-I461 WeakPolarHBondContact O-CG1 3.23Å; A457-I461 PolarHBondContact O-N 3.23Å; I461-R465 VanDerWaalsContact CG2-CZ 3.45Å; I461-R465 VanDerWaalsContact O-CB 3.3Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 WeakPolarHBondContact O-CD 3.5Å; I461-R465 WeakPolarHBondContact O-CG 3.28Å; I461-R465 PolarHBondContact O-N 2.97Å
462R91.8Very high83.2Confident124 Ų124120.2 Ų120.247%0.46856%0.564SS.*Hα-helixtrans-68.9-36.2174.5-171.7-173.6-65.6173.1-3.6111.9R458 L459 E460 K466R458-R462 WeakPolarHBondContact O-CB 3.31Å; R458-R462 PolarHBondContact O-N 3.43Å; L459-R462 CarbonylContact O-C 3.52Å; L459-R462 WeakPolarHBondContact O-CB 3.43Å; L459-R462 PolarHBondContact O-N 3.31Å; E460-R462 PolarHBondContact O-N 3.49Å; R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.3Å
463G89.9Confident80.9Confident33 Ų33126.5 Ų126.534%0.3458%0.579SS.*Hα-helixtrans-68.1-47.8174.200000112.9L459 E460 R465 K466 R467L459-G463 PolarHBondContact O-N 2.98Å; E460-G463 CarbonylContact O-C 3.57Å; E460-G463 WeakPolarHBondContact O-CA 3.36Å; E460-G463 PolarHBondContact O-N 3.04Å; G463-R465 PolarHBondContact O-N 2.64Å; G463-K466 CarbonylContact O-C 3.53Å; G463-K466 WeakPolarHBondContact O-CA 3.31Å; G463-K466 WeakPolarHBondContact O-CB 3.32Å; G463-K466 PolarHBondContact O-N 2.87Å; G463-K466 VanDerWaalsContact O-N 3.11Å; G463-R467 WeakPolarHBondContact O-CB 3.35Å; G463-R467 PolarHBondContact O-N 3.35Å
464L86.4Confident78.5Confident89 Ų89133.7 Ų133.747%0.46660%0.6SS.*Hα-helixtrans-59.8-43.7173.8-67.5173.1000111.1E460 K466 R467 S468E460-L464 HydrophobicContact CG-CD1 4.23Å; E460-L464 HydrophobicContact CG-CG 4.38Å; E460-L464 WeakPolarHBondContact O-CG 3.39Å; E460-L464 PolarHBondContact O-N 2.62Å; L464-K466 PolarHBondContact O-N 2.88Å; L464-R467 PolarHBondContact O-N 3.07Å; L464-S468 VanDerWaalsContact O-CB 3.31Å; L464-S468 WeakPolarHBondContact O-CB 3.49Å; L464-S468 PolarHBondContact O-N 3.42Å
465R88.1Confident75.7Confident178 Ų178131.9 Ų131.967%0.67261%0.606SS**Hα-helixtrans-61-40.9171.9-73.3169.2-174.4179.44.8112.2I461 G463 R469I461-R465 VanDerWaalsContact CG2-CZ 3.45Å; I461-R465 VanDerWaalsContact O-CB 3.3Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 WeakPolarHBondContact O-CD 3.5Å; I461-R465 WeakPolarHBondContact O-CG 3.28Å; I461-R465 PolarHBondContact O-N 2.97Å; G463-R465 PolarHBondContact O-N 2.64Å; R465-R469 WeakPolarHBondContact O-CG 3.41Å; R465-R469 PolarHBondContact O-N 3.48Å; R465-R469 VanDerWaalsContact O-N 3.14Å
466K81.7Confident73Confident149 Ų149136.9 Ų136.965%0.64863%0.632SS**Hα-helixtrans-65.5-36.6173.6-79177.9176-174.40112.9R462 G463 L464R462-K466 WeakPolarHBondContact O-CG 3.22Å; R462-K466 PolarHBondContact O-N 3.3Å; G463-K466 CarbonylContact O-C 3.53Å; G463-K466 WeakPolarHBondContact O-CA 3.31Å; G463-K466 WeakPolarHBondContact O-CB 3.32Å; G463-K466 PolarHBondContact O-N 2.87Å; G463-K466 VanDerWaalsContact O-N 3.11Å; L464-K466 PolarHBondContact O-N 2.88Å
467R79.4Confident70.6Confident195 Ų195135.2 Ų135.274%0.73664%0.635SS**Hα-helixtrans-73.3-43.9179.3-171.1167.5-74154.9-1.9111.5G463 L464 R469 R470G463-R467 WeakPolarHBondContact O-CB 3.35Å; G463-R467 PolarHBondContact O-N 3.35Å; L464-R467 PolarHBondContact O-N 3.07Å; R467-R469 VanDerWaalsContact C-N 3.29Å; R467-R469 PolarHBondContact O-N 2.91Å; R467-R470 PolarHBondContact O-N 3.18Å
468S71.5Confident68.3Low93 Ų93140.1 Ų140.165%0.6565%0.654SS**Hα-helixtrans-54.5-42.3170.61700000112.1L464 R470 G471L464-S468 VanDerWaalsContact O-CB 3.31Å; L464-S468 WeakPolarHBondContact O-CB 3.49Å; L464-S468 PolarHBondContact O-N 3.42Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.07Å; S468-G471 PolarHBondContact O-N 3.4Å; S468-G471 VanDerWaalsContact O-N 3.14Å
469R64.1Low65.9Low212 Ų212142.8 Ų142.880%0.868%0.675SS**THydrogen-bonded Turntrans-64.6-6.8176-68-87.5-173.9179.60.8115.1R465 R467R465-R469 WeakPolarHBondContact O-CG 3.41Å; R465-R469 PolarHBondContact O-N 3.48Å; R465-R469 VanDerWaalsContact O-N 3.14Å; R467-R469 VanDerWaalsContact C-N 3.29Å; R467-R469 PolarHBondContact O-N 2.91Å
470R57.9Low63Low224 Ų224142.9 Ų142.985%0.84569%0.685SS**THydrogen-bonded Turntrans-103.1-1.8174.4-74.9-165172.1-151.9-1.4114.3R467 S468R467-R470 PolarHBondContact O-N 3.18Å; S468-R470 PolarHBondContact O-N 3.31Å; S468-R470 VanDerWaalsContact O-N 3.07Å
471G53.4Low60.3Low65 Ų65142.3 Ų142.367%0.6769%0.694SS**  trans-93.197.5173.800000112.2S468S468-G471 PolarHBondContact O-N 3.4Å; S468-G471 VanDerWaalsContact O-N 3.14Å
472Y39.5Very low57.8Low191 Ų191144 Ų14475%0.74971%0.712SS**  trans-93.5158.3168.4-73.3-94.9000111
473Y47.6Very low55.4Low222 Ų222143.2 Ų143.287%0.87173%0.726SS**  trans74.468.7168.5-49.4-75.7000119.9
474R43.4Very low53.2Low245 Ų245147.7 Ų147.793%0.92575%0.747SS**  -165.5134.9125.7-117.2-175.1179.3-158.5-0.2113.1
475P37.8Very low51Low106 Ų106148.9 Ų148.969%0.68876%0.758SS**  trans-95-175.5169.238.6-34.5000112.4
476N39.7Very low48.3Very low155 Ų155148.7 Ų148.783%0.82977%0.77SS**  trans79.2137.8179.5-60.32.6000114.9
477S44.8Very low45.9Very low96 Ų96147.6 Ų147.667%0.67178%0.776SS**  cis-156.5150.9-11.9-154.60000111.5
478L46.9Very low43.6Very low148 Ų148142.3 Ų142.378%0.77577%0.774SS**  trans32113.7154.6-62.2168000119.4
479I44.1Very low42.1Very low174 Ų174146.3 Ų146.389%0.89279%0.786SS**  -158.2132.3100.5-94.8153.5000108.5
480S34.8Very low40.6Very low102 Ų102142.8 Ų142.871%0.71378%0.782SS**  trans-94.8135.2178.2-56.30000110.6
481S33.9Very low40.2Very low108 Ų108137.4 Ų137.476%0.75578%0.776SS**  172.4148.2115.7-75.90000113.5
482S37Very low39.5Very low114 Ų114139.3 Ų139.380%0.79778%0.779SS**  trans48.4116.3155.557.10000121.6
483S41.4Very low39.6Very low108 Ų108137.1 Ų137.176%0.75578%0.78SS**  trans72.376132.7-156.50000121.1
484V43.3Very low39.5Very low128 Ų128132.4 Ų132.478%0.77678%0.776SS**  41.292.7115.2-172.30000117.6
485V40Very low39.5Very low114 Ų114126.1 Ų126.169%0.69177%0.767SS**  trans25.8109.4146-71.40000121T487V485-T487 PolarHBondContact O-N 2.85Å; V485-T487 VanDerWaalsContact O-N 3.12Å; V485-T487 PolarHBondContact O-OG1 3.22Å
486N31.2Very low39.6Very low173 Ų173126.1 Ų126.193%0.92577%0.77SS**  trans-11.4101.7141.5-60.2-6.6000114.9
487T32.4Very low39.7Very low126 Ų126129.4 Ų129.477%0.77377%0.772SS**  trans-147.5135.7168.5-47.50000108.8V485V485-T487 PolarHBondContact O-N 2.85Å; V485-T487 VanDerWaalsContact O-N 3.12Å; V485-T487 PolarHBondContact O-OG1 3.22Å
488A30.2Very low39.2Very low85 Ų85133 Ų13370%0.70278%0.783SS**  trans58.5105.3174.900000117.6
489I40.2Very low38.7Very low177 Ų177133.6 Ų133.691%0.90879%0.787SS**  trans-85.3116.8152.7-63.2174.4000106.6
490L34Very low38.2Very low137 Ų137128.4 Ų128.472%0.71778%0.777SS**  trans-150.8104.6-175-157169.9000110.9S492L490-S492 PolarHBondContact O-N 3.31Å
491P48Very low38.2Very low111 Ų111128.3 Ų128.372%0.72178%0.782SS**  trans-76.8106.9179.5-18.133.4000114
492S40Very low38.1Very low105 Ų105127.4 Ų127.473%0.73478%0.781SS**  trans23.4118.7145.157.30000121.2L490L490-S492 PolarHBondContact O-N 3.31Å
493L40.4Very low38.1Very low145 Ų145129.3 Ų129.376%0.75978%0.781SS**  trans-72155.3155.6-82.764.7000112.2
494P45.1Very low37.9Very low123 Ų123130.3 Ų130.380%0.79978%0.783SS**  trans-89.6126.1145.733.6-26.8000111
495P44Very low37.6Very low113 Ų113129.7 Ų129.773%0.73478%0.782SS**  trans-108.5135.1177.636-28.9000113.7
496S40Very low37.3Very low106 Ų106133.3 Ų133.374%0.74179%0.791SS**  trans-14989170.834.50000114.3
497Y42.2Very low37.6Very low224 Ų224128.9 Ų128.988%0.87877%0.773SS**  trans68.6108.2146.4-54.2-69.4000121.7
498L34.4Very low37.8Very low173 Ų173130.8 Ų130.891%0.90678%0.779SS**  trans-74.3136155.2-80.5157.6000112
499N36.4Very low38.1Very low160 Ų160131.8 Ų131.886%0.85677%0.769SS**  trans-162.5148.5144.5-108-8000106
500G32.7Very low37.9Very low65 Ų65128.2 Ų128.267%0.6775%0.752SS**  cis96.3106.82300000109.2
501A34.7Very low37.9Very low99 Ų99126.1 Ų126.182%0.81874%0.738SS**  cis-156.3175.11.800000112
502A32.5Very low37.4Very low89 Ų89126.4 Ų126.474%0.73673%0.733SS**  trans19.5128.115900000121.6
503L37.8Very low37Very low154 Ų154130.2 Ų130.281%0.80673%0.733SS**  177.5112.2107-94.5172.7000114
504T37.6Very low36.5Very low130 Ų130131.6 Ų131.680%0.79874%0.735SS**  trans54.4155.8145.245.80000122.9
505P36.5Very low35.7Very low115 Ų115129.1 Ų129.175%0.74772%0.719SS**  trans-121.3152.4-159.140.8-27.3000116.9
506Q33Very low35.2Very low190 Ų190132.9 Ų132.989%0.88873%0.727SS**  trans179.1152.7153.7-99.5-176.6-103.500107.3
507S37Very low34.6Very low79 Ų79135.3 Ų135.355%0.55273%0.726SS**  cis-164.3141.7-16.240.50000110.2
508D37.3Very low34.2Very low166 Ų166130.1 Ų130.189%0.88872%0.723SS**  trans65.3168.8157.4-51-30.5000119.8
509Q35.6Very low34Very low106 Ų106127.2 Ų127.250%0.49572%0.717SS.*  trans-154.9140.3-141.3169.2-177.921.100110.7
510D36.2Very low33.9Very low103 Ų103128.1 Ų128.155%0.55172%0.721SS**  trans-167131.9171.4-112.3-15.3000111.5S652 P653 Y654D510-S652 CarbonylContact C-O 3.59Å; D510-S652 WeakPolarHBondContact CB-O 3.35Å; D510-P653 HydrophobicContact CB-CB 4.42Å; D510-P653 VanDerWaalsContact CG-CA 3.42Å; D510-P653 VanDerWaalsContact OD1-C 3.24Å; D510-P653 WeakPolarHBondContact OD1-CA 3.32Å; D510-P653 WeakPolarHBondContact OD1-CB 3.28Å; D510-Y654 PolarHBondContact OD1-N 2.94Å
511H34.9Very low33.9Very low93 Ų93130.1 Ų130.143%0.43173%0.725SS.*  trans-139.5118.2-174.5-58.7-142000115.5S652 P653 Y654H511-S652 PolarHBondContact N-O 3.15Å; H511-P653 VanDerWaalsContact C-C 3.49Å; H511-P653 CarbonylContact C-O 3.59Å; H511-P653 CarbonylContact O-C 3.6Å; H511-Y654 HydrophobicContact CB-CD1 3.93Å; H511-Y654 HydrophobicContact CB-CD2 3.6Å; H511-Y654 HydrophobicContact CB-CE1 4.23Å; H511-Y654 HydrophobicContact CB-CE2 3.9Å; H511-Y654 HydrophobicContact CB-CG 3.57Å; H511-Y654 AromaticContact CD2-CD1 3.53Å; H511-Y654 AromaticContact CD2-CG 3.78Å; H511-Y654 AromaticContact CG-CD1 3.71Å; H511-Y654 AromaticContact CG-CG 3.85Å; H511-Y654 AromaticContact ND1-CE1 3.92Å; H511-Y654 AromaticContact NE2-CD1 3.76Å; H511-Y654 WeakPolarHBondContact O-CD2 3.44Å
512L36.6Very low33.7Very low116 Ų116129.6 Ų129.661%0.60772%0.72SS**  trans-107.6148.8163.2-123168.4000111.3S652 P653L512-S652 VanDerWaalsContact N-CA 3.3Å; L512-S652 PolarHBondContact N-OG 2.93Å; L512-P653 HydrophobicContact CD1-CG 4.2Å; L512-P653 HydrophobicContact CG-CG 4.15Å
513Y32.5Very low33.8Very low186 Ų186133.3 Ų133.373%0.72972%0.722SS**  trans-69124.3164.5-72.8-107000111.4Y654Y513-Y654 HydrophobicContact CE2-CE2 4.26Å
514H30.6Very low33.6Very low174 Ų174133 Ų13381%0.80672%0.717SS**  -147.8167.4125.6-150.357.9000112.4
515C26.9Very low33.4Very low70 Ų70134.3 Ų134.347%0.47372%0.718SS.*  trans-70.7150.6-166-56.60000114.3
516H33.7Very low33.3Very low192 Ų192134.5 Ų134.589%0.88972%0.717SS**  trans-127.7129.4149.7-92.3-80.8000110.5
517H28Very low33.6Very low157 Ų157129.5 Ų129.573%0.72770%0.702SS**  trans-106.3126.3178.4-23.2-90.2000108.7
518S33Very low33.5Very low115 Ų115133.1 Ų133.180%0.80472%0.716SS**  trans-161.6110.1165.5-80.70000107.2
519S30.2Very low33.4Very low113 Ų113128.9 Ų128.979%0.7971%0.711SS**  82.810076.9-1770000111.4
520L34.4Very low33.5Very low178 Ų178129 Ų12993%0.93272%0.724SS**  trans-145.4132.6154.2-106.8162000107.4
521S33.4Very low33.5Very low108 Ų108130 Ų13076%0.75573%0.734SS**  trans-87.4155.2-166.1-170.80000112.8
522A29.3Very low33.8Very low87 Ų87131 Ų13172%0.71975%0.751SS**  trans-69.3132.5166.500000111.5
523H35.2Very low34Very low167 Ų167130 Ų13077%0.77375%0.753SS**  trans-157134142.7-83.9-67.7000105
524Q32.7Very low34.2Very low149 Ų149128.1 Ų128.170%0.69676%0.755SS**  cis122.6131.420.9168.4165.725.900107.4
525L35Very low34.6Very low156 Ų156125.9 Ų125.982%0.81775%0.75SS**  trans75154.7-178-57.4173.2000117.2
526V34.4Very low35.2Very low120 Ų120129.3 Ų129.373%0.72776%0.76SS**  cis-170.5157.2-41.9109.10000109.7
527S37.6Very low35.5Very low84 Ų84127.5 Ų127.559%0.58776%0.756SS**  trans67.5124.3159.2-86.40000122.8
528D35.1Very low35.7Very low156 Ų156125.2 Ų125.283%0.83475%0.753SS**  70129.8122.9-47.2-25.9000122.1
529G36Very low35.9Very low76 Ų76126.7 Ų126.778%0.78476%0.758SS**  trans169.457.5174.700000118.4
530S38.4Very low36.1Very low110 Ų110129.4 Ų129.477%0.76976%0.758SS**  trans-8.4150148.3-57.10000118.9
531T36.5Very low36.2Very low123 Ų123128.8 Ų128.876%0.75576%0.756SS**  cis-175.5168.310.413.90000111.8
532S40.5Very low36.2Very low114 Ų114129.3 Ų129.380%0.79776%0.757SS**  trans77.2150.915481.60000117.9
533S41.1Very low36.5Very low94 Ų94131 Ų13166%0.65776%0.763SS**  cis-159150.38.8-138.30000114
534L36.6Very low36.6Very low147 Ų147127.7 Ų127.777%0.7776%0.759SS**  trans51.8144.9151.3-90.145.6000120.8
535D38.1Very low37.1Very low128 Ų128126.9 Ų126.968%0.68476%0.759SS**  cis-175.5171-26-126.8-33.9000110.8
536M39.8Very low37.4Very low141 Ų141127.5 Ų127.570%0.69576%0.758SS**  trans63.8134.3160.4-65.8-95.184.600117.5
537L39.8Very low37.8Very low154 Ų154128.7 Ų128.781%0.80676%0.759SS**  cis-140.5170.215.1-111.3163.7000112.1
538T32.4Very low38.4Very low109 Ų109132.8 Ų132.867%0.66977%0.769SS**  trans-112.4138.3-157.3-490000115.1
539T38.3Very low39.2Very low146 Ų146129.8 Ų129.890%0.89676%0.757SS**  trans-151.3156.2141.3-25.30000110.2
540Q34.6Very low40.2Very low171 Ų171129.2 Ų129.280%0.79974%0.74SS**  trans-100.1147.5-162.1-58.9162.6-57.700113.8
541N34.7Very low41.6Very low165 Ų165130 Ų13088%0.88274%0.735SS**  trans-164.3155.7134.6-99.7-37.2000111.6
542P33.8Very low43.4Very low119 Ų119126.7 Ų126.777%0.77372%0.72SS**  trans-112.7118.6-166.336.5-24.7000114.7
543S35.3Very low45Very low123 Ų123123.6 Ų123.686%0.8670%0.702SS**  trans-166.994.1166.357.70000113.1
544S37.9Very low46.6Very low97 Ų97123.9 Ų123.968%0.67870%0.696SS**  trans-125.6-25.7174.645.20000114.8H546S544-H546 VanDerWaalsContact C-N 3.34Å; S544-H546 PolarHBondContact O-N 2.88Å
545D43.2Very low48.8Very low132 Ų132122.9 Ų122.971%0.70669%0.691SS**THydrogen-bonded Turntrans-89.1-2.3-158.4-51.6-9.7000113.6T549D545-T549 PolarHBondContact O-OG1 3.45Å
546H41.2Very low50.8Low169 Ų169121 Ų12178%0.78268%0.683SS**Hα-helixtrans-83-14.4-168.9-125.8-60.4000114.8S544S544-H546 VanDerWaalsContact C-N 3.34Å; S544-H546 PolarHBondContact O-N 2.88Å
547L43.7Very low52.7Low145 Ų145120.7 Ų120.776%0.75968%0.68SS**Hα-helixtrans-80.6-44.7-172.6-134.775.8000112.7T549 S550 L551L547-T549 PolarHBondContact O-N 3.42Å; L547-S550 PolarHBondContact O-N 3.32Å; L547-L551 PolarHBondContact O-N 3.48Å
548E48.8Very low54.9Low169 Ų169116 Ų11679%0.7966%0.664SS**Hα-helixtrans-67.7-37-178.5-61.4-166.1152.100111.9S550 L551 A552E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 2.92Å; E548-L551 PolarHBondContact O-N 2.93Å; E548-A552 WeakPolarHBondContact O-CB 3.3Å; E548-A552 PolarHBondContact O-N 3.13Å
549T53.5Low57.4Low94 Ų94118.4 Ų118.458%0.57767%0.665SS**Hα-helixtrans-66.1-34.6176.3-31.30000112.1D545 L547 A553D545-T549 PolarHBondContact O-OG1 3.45Å; L547-T549 PolarHBondContact O-N 3.42Å; T549-A553 WeakPolarHBondContact O-CB 3.24Å; T549-A553 PolarHBondContact O-N 3.35Å
550S55.3Low59.5Low63 Ų63117.4 Ų117.444%0.44165%0.651SS.*Hα-helixtrans-64.4-50.2174.8-164.90000110.8L547 E548 A552 A553 D554L547-S550 PolarHBondContact O-N 3.32Å; E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 2.92Å; S550-A552 VanDerWaalsContact C-N 3.29Å; S550-A552 PolarHBondContact O-N 2.99Å; S550-A553 WeakPolarHBondContact O-CB 3.5Å; S550-A553 PolarHBondContact O-N 3.5Å; S550-D554 PolarHBondContact O-N 2.95Å; S550-D554 PolarHBondContact OG-OD2 3.37Å
551L69.3Low61.9Low127 Ų127117.2 Ų117.267%0.66565%0.648SS**Hα-helixtrans-64.4-34.9-177.3-162.5149.6000111.9L547 E548 L555L547-L551 PolarHBondContact O-N 3.48Å; E548-L551 PolarHBondContact O-N 2.93Å; L551-L555 WeakPolarHBondContact O-CB 3.4Å; L551-L555 PolarHBondContact O-N 2.86Å
552A73Confident64.1Low53 Ų53115.5 Ų115.544%0.43864%0.635SS.*Hα-helixtrans-65.2-43.2170.600000112.7E548 S550 L555 V556E548-A552 WeakPolarHBondContact O-CB 3.3Å; E548-A552 PolarHBondContact O-N 3.13Å; S550-A552 VanDerWaalsContact C-N 3.29Å; S550-A552 PolarHBondContact O-N 2.99Å; A552-L555 PolarHBondContact O-N 3.13Å; A552-V556 WeakPolarHBondContact O-CG2 3.11Å; A552-V556 PolarHBondContact O-N 2.97Å; A552-V556 VanDerWaalsContact O-N 3.08Å
553A74.6Confident66.6Low50 Ų50115.6 Ų115.641%0.41363%0.625SS.*Hα-helixtrans-65.4-41.9177.200000112.3T549 S550 L555 V556 H557T549-A553 WeakPolarHBondContact O-CB 3.24Å; T549-A553 PolarHBondContact O-N 3.35Å; S550-A553 WeakPolarHBondContact O-CB 3.5Å; S550-A553 PolarHBondContact O-N 3.5Å; A553-L555 PolarHBondContact O-N 3.05Å; A553-V556 PolarHBondContact O-N 2.95Å; A553-H557 WeakPolarHBondContact O-CB 3.3Å; A553-H557 PolarHBondContact O-N 3.3Å
554D74Confident69Low100 Ų100112.1 Ų112.154%0.53560%0.603SS.*Hα-helixtrans-62.4-40.9175.5-74.2-46.5000111.7S550 H557 A558S550-D554 PolarHBondContact O-N 2.95Å; S550-D554 PolarHBondContact OG-OD2 3.37Å; D554-H557 PolarHBondContact O-N 3.17Å; D554-A558 WeakPolarHBondContact O-CB 3.45Å; D554-A558 PolarHBondContact O-N 3.4Å
555L82.8Confident71.3Confident126 Ų126113.7 Ų113.766%0.6660%0.598SS**Hα-helixtrans-65.3-39.3176.1-164.274.2000112.1L551 A552 A553 K559L551-L555 WeakPolarHBondContact O-CB 3.4Å; L551-L555 PolarHBondContact O-N 2.86Å; A552-L555 PolarHBondContact O-N 3.13Å; A553-L555 PolarHBondContact O-N 3.05Å; L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.21Å
556V81.3Confident73.4Confident87 Ų87110.3 Ų110.353%0.52758%0.58SS.*Hα-helixtrans-65.8-44.9173.5171.10000110.9A552 A553 A558 K559 M560A552-V556 WeakPolarHBondContact O-CG2 3.11Å; A552-V556 PolarHBondContact O-N 2.97Å; A552-V556 VanDerWaalsContact O-N 3.08Å; A553-V556 PolarHBondContact O-N 2.95Å; V556-A558 PolarHBondContact O-N 3.49Å; V556-K559 PolarHBondContact O-N 2.89Å; V556-M560 HydrophobicContact CG1-CG 4.49Å; V556-M560 HydrophobicContact CG1-SD 4.27Å; V556-M560 WeakPolarHBondContact O-CG 3.28Å; V556-M560 PolarHBondContact O-N 2.74Å
557H79.2Confident75.4Confident135 Ų135106.8 Ų106.863%0.62557%0.567SS**Hα-helixtrans-62.5-40.7176.6-103.7-71.7000112.6A553 D554 M560 K561A553-H557 WeakPolarHBondContact O-CB 3.3Å; A553-H557 PolarHBondContact O-N 3.3Å; D554-H557 PolarHBondContact O-N 3.17Å; H557-M560 PolarHBondContact O-N 3.44Å; H557-K561 VanDerWaalsContact O-CB 3.31Å; H557-K561 WeakPolarHBondContact O-CB 3.29Å; H557-K561 PolarHBondContact O-N 2.87Å
558A85.1Confident77.4Confident56 Ų56105.1 Ų105.146%0.46356%0.556SS.*Hα-helixtrans-60.6-46.6174.200000111.4D554 V556 K561 E562D554-A558 WeakPolarHBondContact O-CB 3.45Å; D554-A558 PolarHBondContact O-N 3.4Å; V556-A558 PolarHBondContact O-N 3.49Å; A558-K561 WeakPolarHBondContact O-CB 3.47Å; A558-K561 PolarHBondContact O-N 2.87Å; A558-E562 PolarHBondContact O-N 2.85Å
559K85.3Confident79.4Confident159 Ų159102.6 Ų102.669%0.69154%0.543SS*.Hα-helixtrans-66.5-38.2179.2-164.8171.8-174.71760112.8L555 V556 E562 H563L555-K559 WeakPolarHBondContact O-CB 3.31Å; L555-K559 PolarHBondContact O-N 3.21Å; V556-K559 PolarHBondContact O-N 2.89Å; K559-E562 PolarHBondContact O-N 3.16Å; K559-H563 PolarHBondContact O-N 3.41Å
560M82.2Confident80.9Confident125 Ų125104.3 Ų104.362%0.61654%0.544SS*.Hα-helixtrans-65.1-38.9172.1-72.6-175.173.700112.2V556 H557 H563 A564V556-M560 HydrophobicContact CG1-CG 4.49Å; V556-M560 HydrophobicContact CG1-SD 4.27Å; V556-M560 WeakPolarHBondContact O-CG 3.28Å; V556-M560 PolarHBondContact O-N 2.74Å; H557-M560 PolarHBondContact O-N 3.44Å; M560-H563 PolarHBondContact O-N 2.85Å; M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 3.1Å
561K86.2Confident82.5Confident168 Ų168106.6 Ų106.673%0.7355%0.55SS**Hα-helixtrans-65.7-36.4176.8-173177-178.1178.20112.2H557 A558 K565H557-K561 VanDerWaalsContact O-CB 3.31Å; H557-K561 WeakPolarHBondContact O-CB 3.29Å; H557-K561 PolarHBondContact O-N 2.87Å; A558-K561 WeakPolarHBondContact O-CB 3.47Å; A558-K561 PolarHBondContact O-N 2.87Å; K561-K565 PolarHBondContact O-N 2.89Å; K561-K565 VanDerWaalsContact O-N 3.14Å
562E80.9Confident83.2Confident128 Ų128107 Ų10760%0.59855%0.547SS*.Hα-helixtrans-68.9-47.7173.2-172163.9-120.200111.9A558 K559 A564 K565 D566A558-E562 PolarHBondContact O-N 2.85Å; K559-E562 PolarHBondContact O-N 3.16Å; E562-A564 VanDerWaalsContact C-N 3.29Å; E562-A564 PolarHBondContact O-N 3.2Å; E562-K565 WeakPolarHBondContact O-CA 3.31Å; E562-K565 VanDerWaalsContact O-CB 3.29Å; E562-K565 WeakPolarHBondContact O-CB 3.49Å; E562-K565 PolarHBondContact O-N 3.47Å; E562-D566 PolarHBondContact O-N 3.12Å
563H85.1Confident83.9Confident122 Ų122112.6 Ų112.657%0.56556%0.557SS**Hα-helixtrans-59-38.3175.6-171.4-84.7000112.6K559 M560 D566 N567K559-H563 PolarHBondContact O-N 3.41Å; M560-H563 PolarHBondContact O-N 2.85Å; H563-D566 PolarHBondContact O-N 2.83Å; H563-N567 WeakPolarHBondContact O-CB 3.29Å; H563-N567 PolarHBondContact O-N 3.37Å
564A86.5Confident84.3Confident49 Ų49112.3 Ų112.341%0.40555%0.554SS.*Hα-helixtrans-65-38.1173.500000112.7M560 E562 D566 M568M560-A564 WeakPolarHBondContact O-CB 3.28Å; M560-A564 PolarHBondContact O-N 3.1Å; E562-A564 VanDerWaalsContact C-N 3.29Å; E562-A564 PolarHBondContact O-N 3.2Å; A564-D566 VanDerWaalsContact C-N 3.34Å; A564-M568 PolarHBondContact O-N 3.23Å; A564-M568 VanDerWaalsContact O-N 3.09Å
565K86.8Confident84.6Confident130 Ų130112.4 Ų112.457%0.56555%0.553SS**Hα-helixtrans-63.6-40175.4-169.9-178.4-177.9-177.90111.4K561 E562 M568 K569K561-K565 PolarHBondContact O-N 2.89Å; K561-K565 VanDerWaalsContact O-N 3.14Å; E562-K565 WeakPolarHBondContact O-CA 3.31Å; E562-K565 VanDerWaalsContact O-CB 3.29Å; E562-K565 WeakPolarHBondContact O-CB 3.49Å; E562-K565 PolarHBondContact O-N 3.47Å; K565-M568 PolarHBondContact O-N 2.98Å; K565-K569 WeakPolarHBondContact O-CG 3.32Å; K565-K569 PolarHBondContact O-N 3.17Å; K565-K569 VanDerWaalsContact O-N 3.14Å
566D86.6Confident84.5Confident61 Ų61109.3 Ų109.333%0.32654%0.537SS..Hα-helixtrans-76.4-38.5179.4-73.6-7.4000112.7E562 H563 A564 M568 K569 H570E562-D566 PolarHBondContact O-N 3.12Å; H563-D566 PolarHBondContact O-N 2.83Å; A564-D566 VanDerWaalsContact C-N 3.34Å; D566-M568 PolarHBondContact O-N 3.01Å; D566-K569 WeakPolarHBondContact O-CB 3.43Å; D566-K569 PolarHBondContact O-N 2.96Å; D566-K569 WeakPolarHBondContact OD1-CD 3.42Å; D566-K569 WeakPolarHBondContact OD1-CE 3.31Å; D566-K569 IonicContact OD1-NZ 3.17Å; D566-K569 PolarHBondContact OD1-NZ 2.86Å; D566-H570 PolarHBondContact O-CD2 3.44Å; D566-H570 VanDerWaalsContact O-CD2 3.28Å; D566-H570 PolarHBondContact O-N 3.5Å
567N84.5Confident84.4Confident96 Ų96111 Ų11151%0.51354%0.539SS..Hα-helixtrans-56.4-38.9168.7-95.1-0.5000112.1H563 H570 L571H563-N567 WeakPolarHBondContact O-CB 3.29Å; H563-N567 PolarHBondContact O-N 3.37Å; N567-H570 PolarHBondContact O-N 2.92Å; N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 PolarHBondContact O-N 3.5Å
568M85.1Confident84Confident109 Ų109109 Ų10954%0.53754%0.536SS..Hα-helixtrans-65.6-41.2173.2-75.2-173.7-73.400112.6A564 K565 D566 H570 L571 F572A564-M568 PolarHBondContact O-N 3.23Å; A564-M568 VanDerWaalsContact O-N 3.09Å; K565-M568 PolarHBondContact O-N 2.98Å; D566-M568 PolarHBondContact O-N 3.01Å; M568-H570 VanDerWaalsContact C-N 3.32Å; M568-H570 PolarHBondContact O-N 2.81Å; M568-L571 PolarHBondContact O-N 3.29Å; M568-F572 WeakPolarHBondContact O-CD2 3.41Å; M568-F572 PolarHBondContact O-N 2.84Å
569K89.6Confident82.9Confident117 Ų117112.8 Ų112.851%0.50954%0.539SS..Hα-helixtrans-59.8-42.1173.2-65172.2-168.3165.60111.8K565 D566 R573K565-K569 WeakPolarHBondContact O-CG 3.32Å; K565-K569 PolarHBondContact O-N 3.17Å; K565-K569 VanDerWaalsContact O-N 3.14Å; D566-K569 WeakPolarHBondContact O-CB 3.43Å; D566-K569 PolarHBondContact O-N 2.96Å; D566-K569 WeakPolarHBondContact OD1-CD 3.42Å; D566-K569 WeakPolarHBondContact OD1-CE 3.31Å; D566-K569 IonicContact OD1-NZ 3.17Å; D566-K569 PolarHBondContact OD1-NZ 2.86Å; K569-R573 WeakPolarHBondContact O-CB 3.43Å; K569-R573 PolarHBondContact O-N 3.34Å
570H86.7Confident81.6Confident129 Ų129111 Ų11160%0.59753%0.533SS*.Hα-helixtrans-65.6-41.3176.8-83.2-79.2000111.8D566 N567 M568 R573 A574D566-H570 PolarHBondContact O-CD2 3.44Å; D566-H570 VanDerWaalsContact O-CD2 3.28Å; D566-H570 PolarHBondContact O-N 3.5Å; N567-H570 PolarHBondContact O-N 2.92Å; M568-H570 VanDerWaalsContact C-N 3.32Å; M568-H570 PolarHBondContact O-N 2.81Å; H570-R573 PolarHBondContact O-N 3.24Å; H570-A574 WeakPolarHBondContact O-CB 3.41Å; H570-A574 PolarHBondContact O-N 2.8Å
571L88.1Confident80.2Confident111 Ų111110.2 Ų110.258%0.58154%0.535SS*.Hα-helixtrans-63-45.8175.9-168.671.1000111.8N567 M568 R573 A574 M575N567-L571 WeakPolarHBondContact O-CB 3.25Å; N567-L571 PolarHBondContact O-N 3.5Å; M568-L571 PolarHBondContact O-N 3.29Å; L571-R573 PolarHBondContact O-N 3.1Å; L571-A574 PolarHBondContact O-N 3Å; L571-M575 HydrophobicContact CG-SD 4.46Å; L571-M575 WeakPolarHBondContact O-CB 3.22Å; L571-M575 WeakPolarHBondContact O-CG 3.07Å; L571-M575 PolarHBondContact O-N 3.38Å
572F84.7Confident78.4Confident135 Ų135110.1 Ų110.159%0.59254%0.537SS*.Hα-helixtrans-60.4-44.9174.1-88.1-71.7000112M568 A574 M575 D576M568-F572 WeakPolarHBondContact O-CD2 3.41Å; M568-F572 PolarHBondContact O-N 2.84Å; F572-A574 VanDerWaalsContact C-N 3.34Å; F572-A574 PolarHBondContact O-N 3.33Å; F572-M575 PolarHBondContact O-N 2.89Å; F572-D576 PolarHBondContact O-N 2.85Å
573R86.7Confident76.5Confident172 Ų172108.8 Ų108.865%0.64954%0.537SS*.Hα-helixtrans-61.5-40.4177.1-172.8176.3-64.8-152.8-0.8112.4K569 H570 L571 D576 Q577K569-R573 WeakPolarHBondContact O-CB 3.43Å; K569-R573 PolarHBondContact O-N 3.34Å; H570-R573 PolarHBondContact O-N 3.24Å; L571-R573 PolarHBondContact O-N 3.1Å; R573-D576 PolarHBondContact O-N 2.9Å; R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 VanDerWaalsContact O-CG 3.29Å; R573-Q577 WeakPolarHBondContact O-CG 3.38Å; R573-Q577 PolarHBondContact O-N 3.15Å
574A82.7Confident74Confident43 Ų43110.8 Ų110.836%0.35555%0.551SS.*Hα-helixtrans-67.2-41.9175.200000111.9H570 L571 F572 D576 Q577 V578H570-A574 WeakPolarHBondContact O-CB 3.41Å; H570-A574 PolarHBondContact O-N 2.8Å; L571-A574 PolarHBondContact O-N 3Å; F572-A574 VanDerWaalsContact C-N 3.34Å; F572-A574 PolarHBondContact O-N 3.33Å; A574-D576 VanDerWaalsContact C-N 3.32Å; A574-D576 PolarHBondContact O-N 3.39Å; A574-Q577 PolarHBondContact O-N 2.79Å; A574-V578 WeakPolarHBondContact O-CG2 3.5Å; A574-V578 PolarHBondContact O-N 3.44Å
575M81.7Confident71.4Confident102 Ų102113.4 Ų113.450%0.50257%0.567SS.*Hα-helixtrans-65.1-33.6175.1-74.5-177.467.800113L571 F572 R579L571-M575 HydrophobicContact CG-SD 4.46Å; L571-M575 WeakPolarHBondContact O-CB 3.22Å; L571-M575 WeakPolarHBondContact O-CG 3.07Å; L571-M575 PolarHBondContact O-N 3.38Å; F572-M575 PolarHBondContact O-N 2.89Å; M575-R579 WeakPolarHBondContact O-CB 3.37Å; M575-R579 PolarHBondContact O-N 2.85Å; M575-R579 PolarHBondContact O-NH2 3.38Å
576D80.8Confident68.8Low62 Ų62114.6 Ų114.633%0.33258%0.579SS.*Hα-helixtrans-71.2-44.5172.8-72.5-18000110.7F572 R573 A574 V578 R579 H580F572-D576 PolarHBondContact O-N 2.85Å; R573-D576 PolarHBondContact O-N 2.9Å; A574-D576 VanDerWaalsContact C-N 3.32Å; A574-D576 PolarHBondContact O-N 3.39Å; D576-V578 PolarHBondContact O-N 2.91Å; D576-R579 WeakPolarHBondContact O-CA 3.42Å; D576-R579 WeakPolarHBondContact O-CB 3.46Å; D576-R579 PolarHBondContact O-N 3.06Å; D576-R579 IonicContact OD1-CZ 2.68Å; D576-R579 IonicContact OD1-NH1 3.11Å; D576-R579 PolarHBondContact OD1-NH1 3.37Å; D576-R579 IonicContact OD1-NH2 2.65Å; D576-R579 PolarHBondContact OD1-NH2 3.42Å; D576-H580 PolarHBondContact O-N 2.87Å; D576-H580 PolarHBondContact O-ND1 3Å
577Q77.3Confident66.5Low123 Ų123119.3 Ų119.358%0.57561%0.605SS**Hα-helixtrans-54.9-48.3174.2-77.1170.9-24.200112R573 A574 R579 H580 T581R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 VanDerWaalsContact O-CG 3.29Å; R573-Q577 WeakPolarHBondContact O-CG 3.38Å; R573-Q577 PolarHBondContact O-N 3.15Å; A574-Q577 PolarHBondContact O-N 2.79Å; Q577-R579 VanDerWaalsContact C-N 3.27Å; Q577-R579 PolarHBondContact O-N 2.87Å; Q577-H580 PolarHBondContact O-N 3.47Å; Q577-H580 VanDerWaalsContact O-N 3.16Å; Q577-T581 PolarHBondContact O-N 3.32Å; Q577-T581 PolarHBondContact O-OG1 3.08Å
578V71.1Confident64.4Low93 Ų93120.7 Ų120.756%0.56462%0.619SS**Hα-helixtrans-61.4-33.8175.9171.80000112.2A574 D576 T581A574-V578 WeakPolarHBondContact O-CG2 3.5Å; A574-V578 PolarHBondContact O-N 3.44Å; D576-V578 PolarHBondContact O-N 2.91Å; V578-T581 WeakPolarHBondContact CA-OG1 3.27Å; V578-T581 PolarHBondContact O-OG1 3.38Å
579R61.8Low62Low135 Ų135121.6 Ų121.651%0.50963%0.63SS.*Hα-helixtrans-70.5-37.2176-153180-49.6114.225.2112.1M575 D576 Q577 H582M575-R579 WeakPolarHBondContact O-CB 3.37Å; M575-R579 PolarHBondContact O-N 2.85Å; M575-R579 PolarHBondContact O-NH2 3.38Å; D576-R579 WeakPolarHBondContact O-CA 3.42Å; D576-R579 WeakPolarHBondContact O-CB 3.46Å; D576-R579 PolarHBondContact O-N 3.06Å; D576-R579 IonicContact OD1-CZ 2.68Å; D576-R579 IonicContact OD1-NH1 3.11Å; D576-R579 PolarHBondContact OD1-NH1 3.37Å; D576-R579 IonicContact OD1-NH2 2.65Å; D576-R579 PolarHBondContact OD1-NH2 3.42Å; Q577-R579 VanDerWaalsContact C-N 3.27Å; Q577-R579 PolarHBondContact O-N 2.87Å; R579-H582 PolarHBondContact O-N 2.84Å
580H59.3Low59.5Low122 Ų122122.7 Ų122.757%0.56565%0.647SS**Hα-helixtrans-75.1-27.7178.7-68.859.4000112.3D576 Q577 H582 T583D576-H580 PolarHBondContact O-N 2.87Å; D576-H580 PolarHBondContact O-ND1 3Å; Q577-H580 PolarHBondContact O-N 3.47Å; Q577-H580 VanDerWaalsContact O-N 3.16Å; H580-H582 PolarHBondContact O-N 3.5Å; H580-T583 PolarHBondContact O-N 3.4Å; H580-T583 PolarHBondContact O-OG1 3.39Å
581T53.2Low57Low107 Ų107122.4 Ų122.466%0.65666%0.655SS**THydrogen-bonded Turntrans-70.3-9.417246.80000114.4Q577 V578Q577-T581 PolarHBondContact O-N 3.32Å; Q577-T581 PolarHBondContact O-OG1 3.08Å; V578-T581 WeakPolarHBondContact CA-OG1 3.27Å; V578-T581 PolarHBondContact O-OG1 3.38Å
582H47.1Very low54.5Low167 Ų167122.3 Ų122.377%0.77366%0.661SS**THydrogen-bonded Turntrans-101.22.1174.4-92.7-73.8000114.2R579 H580R579-H582 PolarHBondContact O-N 2.84Å; H580-H582 PolarHBondContact O-N 3.5Å
583T40.7Very low51.9Low100 Ų100122 Ų12261%0.61367%0.67SS**  trans-123.258.9-175.957.80000111.6H580H580-T583 PolarHBondContact O-N 3.4Å; H580-T583 PolarHBondContact O-OG1 3.39Å
584L33Very low49.5Very low163 Ų163118.8 Ų118.885%0.85368%0.68SS**  trans-146.353.6-176-111.2166.2000113.1
585S32.9Very low47Very low105 Ų105122.9 Ų122.973%0.73470%0.701SS**  trans-159.6159161.3-176.30000109.6
586N32.4Very low44.7Very low154 Ų154123.3 Ų123.382%0.82471%0.709SS**  trans88.162.9175.3-49.4-8.5000116
587D37.5Very low42.3Very low161 Ų161126 Ų12686%0.86173%0.729SS**  trans-121.4134.3151.3-124.1-25.4000107.6
588P40.7Very low40.4Very low125 Ų125126.9 Ų126.981%0.81274%0.736SS**  trans-83.2151.6-167.431.7-34.8000114.8
589T35Very low38.6Very low127 Ų127128.8 Ų128.878%0.77974%0.743SS**  trans-74.8144-164.9-31.30000115.7
590T37.2Very low37.2Very low140 Ų140131.1 Ų131.186%0.85976%0.757SS**  trans-122.7130.8145.650.40000111.1
591T32.5Very low36.1Very low124 Ų124132.1 Ų132.176%0.76177%0.766SS**  trans-75.1169.2179.444.70000111.4
592P37.1Very low35.3Very low109 Ų109132.9 Ų132.971%0.70877%0.766SS**  cis-149.9163.429.742.1-20.4000121.1
593T29Very low35Very low128 Ų128130.8 Ų130.879%0.78576%0.761SS**  trans47.5115.3137.8-52.80000122.4
594A36.6Very low34.8Very low104 Ų104132.8 Ų132.886%0.8677%0.768SS**  -160.4147129.600000111.8
595T30.7Very low34.9Very low129 Ų129132.2 Ų132.279%0.79177%0.766SS**  trans-106.1158.2-162.2-37.30000114.2
596T32.7Very low34.8Very low111 Ų111131.9 Ų131.968%0.68176%0.763SS**  trans104.9100.7148.4-35.80000118.9
597T30.5Very low34.6Very low120 Ų120129 Ų12974%0.73676%0.755SS**  29.3131.7117.4-24.90000118.6
598I36.5Very low34.2Very low141 Ų141129.2 Ų129.272%0.72375%0.75SS**  -175.9141.889.4-84.9158.9000112.2
599N35Very low33.6Very low133 Ų133130.1 Ų130.171%0.71175%0.748SS**  trans43.2119.1158.3-62.40.8000124.3
600F32.6Very low33.2Very low184 Ų184132 Ų13281%0.80775%0.752SS**  19.2131.9111-56.8-75.1000117.8
601N35.2Very low32.8Very low143 Ų143130.4 Ų130.477%0.76574%0.742SS**  -178.7177.768.8-1241.4000113.3
602N37.3Very low32.6Very low122 Ų122131.6 Ų131.665%0.65274%0.743SS**  trans86.9104163.6-70.748.7000121.4
603D39.3Very low32.3Very low123 Ų123132.8 Ų132.866%0.65874%0.742SS**  75.1119119.7-44.4-22.3000123.5
604D37.5Very low32.4Very low142 Ų142134.7 Ų134.776%0.75974%0.742SS**  trans50.5115.5132.7-61.5-2.5000119.9
605N34Very low32.2Very low152 Ų152134.9 Ų134.981%0.81374%0.737SS**  -174.6165.756.6-126.3-54.2000114.5
606S31Very low32.3Very low97 Ų97132.1 Ų132.168%0.67874%0.735SS**  trans64.2120.9158.6-166.10000121.6
607S28.3Very low32.4Very low93 Ų93133.9 Ų133.965%0.6574%0.739SS**  trans72123.7143.458.20000121.6
608H30.1Very low32.6Very low166 Ų166135 Ų13577%0.76974%0.735SS**  trans80.3120.8157.2-62.5-10.4000119.7
609N28.1Very low32.6Very low144 Ų144135.3 Ų135.377%0.7774%0.739SS**  trans5474.3134.9-53.7-11.7000118.8
610I26.6Very low32.5Very low166 Ų166134.7 Ų134.785%0.85174%0.74SS**  trans-168.8153.1152.2-106146.7000108.5
611T28.5Very low32.7Very low107 Ų107132.3 Ų132.366%0.65674%0.74SS**  cis176.7162.3-28.4-95.80000106.9
612L28.4Very low32.6Very low149 Ų149130.7 Ų130.778%0.7874%0.74SS**  trans74.7165.2160-95.7169.4000120.7
613I29.7Very low32.6Very low134 Ų134130.9 Ų130.969%0.68775%0.751SS**  trans74.1134.5169.3-58.4132.2000113
614E31.5Very low32.4Very low169 Ų169130 Ų13079%0.7976%0.755SS**  cis-137.112623.4-157.3139.5-143.600116.4
615S32.5Very low32.2Very low108 Ų108127.2 Ų127.276%0.75576%0.759SS**  trans15.6128.2137.2-45.20000123.4
616G32.8Very low32.1Very low71 Ų71129.3 Ų129.373%0.73276%0.761SS**  trans109.1159.3131.400000118.9
617L35.5Very low32.4Very low147 Ų147131.6 Ų131.677%0.7777%0.771SS**  cis-165.2176.8-8.6-117174.4000110.7
618E34.9Very low32.6Very low143 Ų143132.9 Ų132.967%0.66878%0.78SS**  trans80.4135.6162.9-37.8-46.5176.400125.2
619D36.7Very low32.8Very low149 Ų149128.2 Ų128.280%0.79778%0.777SS**  trans85.590.1141.5-67.3-9.6000124.7
620T32.2Very low33.3Very low120 Ų120127.2 Ų127.274%0.73678%0.781SS**  trans-50155153.359.90000116.8
621V36.3Very low33.6Very low133 Ų133127.7 Ų127.781%0.80678%0.78SS**  -144.7136.1126.6-174.80000109.2
622S33.8Very low34.1Very low109 Ų109128.1 Ų128.176%0.76278%0.784SS**  trans-105.3156.3174.3-55.20000111.9
623S37.5Very low34.3Very low126 Ų126125.1 Ų125.188%0.88178%0.776SS**  trans-152.2154.9143.9-160.60000111.2
624S34.3Very low34.9Very low106 Ų106126.3 Ų126.374%0.74178%0.784SS**  trans-136.4162.5-165.460.70000113
625G33.6Very low34.9Very low82 Ų82125.3 Ų125.385%0.84578%0.784SS**  trans-146.983.5175.400000111.3
626F32.5Very low35.6Very low196 Ų196125.9 Ų125.986%0.8679%0.785SS**  trans-92.2136.3173.5-97.2-86.5000111.1
627V37.6Very low35.8Very low145 Ų145130.1 Ų130.188%0.87979%0.785SS**  trans-130.9136.4153.3177.20000107.2
628S32.2Very low35.9Very low120 Ų120132.4 Ų132.484%0.83979%0.789SS**  trans-98.9149.6-175.6-171.80000111.6
629G34.6Very low35.8Very low69 Ų69132.4 Ų132.471%0.71179%0.789SS**  trans-167.367.7-172.600000115.5
630S37.7Very low35.6Very low122 Ų122134.5 Ų134.585%0.85379%0.786SS**  trans36.2119.8149.7-51.20000121.8
631E33.6Very low35.6Very low177 Ų177136.8 Ų136.883%0.82779%0.786SS**  trans-66.8170.2158.2-131.3-168.8-145.400112.1
632P38.5Very low35.4Very low115 Ų115137.1 Ų137.175%0.74779%0.788SS**  -150.5161.364.341-20.8000119.4
633S33.3Very low35.4Very low87 Ų87141.1 Ų141.161%0.60879%0.792SS**  trans33129.7137.1-1630000122.6
634D40.9Very low35Very low159 Ų159139.4 Ų139.485%0.8578%0.78SS**  -171.9132.1103.6-101.13.1000115.2
635N31.7Very low35Very low148 Ų148142.6 Ų142.679%0.79178%0.783SS**  trans-163.1121.6169.9-173.73000112.5
636P48.2Very low34.8Very low119 Ų119147 Ų14777%0.77378%0.781SS**  trans-94.8130.9-175.334.2-33.3000116.4
637H35.7Very low35Very low160 Ų160143.7 Ų143.774%0.74178%0.777SS**  trans-51.7154.2177.7-65.8-66.1000119.1
638K37.9Very low34.7Very low195 Ų195141.2 Ų141.285%0.84877%0.767SS**  -167.6120113.1-93.1143.1-171.5172.90109.1
639Q33.8Very low34.8Very low143 Ų143142.9 Ų142.967%0.66877%0.766SS**  50.2134.975.3-63.1-163.78.800113.1
640R32.3Very low34.7Very low193 Ų193145 Ų14573%0.72877%0.77SS**  -166.9121.651.3-178.386.2-170-107.8-1.7113.8
641F31.9Very low34.5Very low168 Ų168142.8 Ų142.874%0.73777%0.767SS**  trans62140.1147.7-75.3-122000123
642V31.1Very low34.6Very low141 Ų141137.2 Ų137.286%0.85575%0.747SS**  trans-108.9140.2155.71720000108.5
643K33.6Very low34.4Very low193 Ų193134.9 Ų134.984%0.83973%0.732SS**  trans-156.8155149-153.1150.3-175174.90112.6
644S30.5Very low34.3Very low90 Ų90135.4 Ų135.463%0.62972%0.721SS**  trans-70.4169174.748.20000111.8
645E33.4Very low33.8Very low172 Ų172131.8 Ų131.880%0.80471%0.708SS**  cis-160.4153.347.6-72.8174.6134.400114.7
646Q29.5Very low33.9Very low174 Ų174131.6 Ų131.681%0.81371%0.713SS**  trans42.8109.2133.9-156.7178.575.200121.1
647T36.1Very low33Very low127 Ų127135.7 Ų135.778%0.77971%0.713SS**  176.6148.7113.629.70000114
648S33.2Very low33.1Very low94 Ų94133.5 Ų133.566%0.65771%0.713SS**  trans-26.4145.2162.4480000117.4
649N33.9Very low32.9Very low154 Ų154133.9 Ų133.982%0.82472%0.715SS**  cis-163.4169.443.1-113.8-17.7000115.1
650S31.6Very low32.9Very low114 Ų114132.6 Ų132.680%0.79771%0.711SS**  trans-36.7142.4172.653.90000119.7
651G33.8Very low33.2Very low76 Ų76129.2 Ų129.278%0.78472%0.715SS**  trans-178.958.317400000119.4
652S34.8Very low33.2Very low60 Ų60127.4 Ų127.442%0.4271%0.713SS.*  trans0.5134.3145.2-80.90000123.5D510 H511 L512D510-S652 CarbonylContact C-O 3.59Å; D510-S652 WeakPolarHBondContact CB-O 3.35Å; H511-S652 PolarHBondContact N-O 3.15Å; L512-S652 VanDerWaalsContact N-CA 3.3Å; L512-S652 PolarHBondContact N-OG 2.93Å
653P35.1Very low33.1Very low66 Ų66130.3 Ų130.343%0.42971%0.714SS.*  trans-130.6132.9176.340.9-23.7000122D510 H511 L512D510-P653 HydrophobicContact CB-CB 4.42Å; D510-P653 VanDerWaalsContact CG-CA 3.42Å; D510-P653 VanDerWaalsContact OD1-C 3.24Å; D510-P653 WeakPolarHBondContact OD1-CA 3.32Å; D510-P653 WeakPolarHBondContact OD1-CB 3.28Å; H511-P653 VanDerWaalsContact C-C 3.49Å; H511-P653 CarbonylContact C-O 3.59Å; H511-P653 CarbonylContact O-C 3.6Å; L512-P653 HydrophobicContact CD1-CG 4.2Å; L512-P653 HydrophobicContact CG-CG 4.15Å
654Y31Very low33.4Very low98 Ų98127.8 Ų127.838%0.38471%0.714SS.*  trans-143.5135.2178.8-112.9-154.3000111.1D510 H511 Y513D510-Y654 PolarHBondContact OD1-N 2.94Å; H511-Y654 HydrophobicContact CB-CD1 3.93Å; H511-Y654 HydrophobicContact CB-CD2 3.6Å; H511-Y654 HydrophobicContact CB-CE1 4.23Å; H511-Y654 HydrophobicContact CB-CE2 3.9Å; H511-Y654 HydrophobicContact CB-CG 3.57Å; H511-Y654 AromaticContact CD2-CD1 3.53Å; H511-Y654 AromaticContact CD2-CG 3.78Å; H511-Y654 AromaticContact CG-CD1 3.71Å; H511-Y654 AromaticContact CG-CG 3.85Å; H511-Y654 AromaticContact ND1-CE1 3.92Å; H511-Y654 AromaticContact NE2-CD1 3.76Å; H511-Y654 WeakPolarHBondContact O-CD2 3.44Å; Y513-Y654 HydrophobicContact CE2-CE2 4.26Å
655S30.1Very low33.7Very low82 Ų82127.3 Ų127.357%0.57371%0.711SS**  trans66.593.5154.6-1750000118.8
656T34.9Very low34Very low144 Ų144124.5 Ų124.588%0.88371%0.708SS**  trans-141.2140.1130.3-79.30000110.2
657R28.8Very low34.6Very low205 Ų205122.4 Ų122.477%0.77470%0.701SS**  trans-119.4116.9-169.4-178.2-172.3-169.2-137.17.1109.5
658P37.8Very low34.7Very low115 Ų115123.4 Ų123.475%0.74770%0.696SS**PPolyproline II helixtrans-62.4139.2171.5-21.133.3000110.8
659F33.3Very low35.1Very low203 Ų203125.1 Ų125.189%0.8970%0.697SS**PPolyproline II helixtrans-73.3139.3178.7-90.9-108.6000111.7
660I34.4Very low35.7Very low116 Ų116119.9 Ų119.960%0.59568%0.676SS**PPolyproline II helixtrans-85129.6168.6-64.2167.3000107.7D662I660-D662 PolarHBondContact O-N 2.97Å
661P38.8Very low36.4Very low122 Ų122118.8 Ų118.879%0.79266%0.658SS**  trans-76.6111.9155.81.316.9000107.9
662D30.7Very low37.2Very low130 Ų130117.1 Ų117.170%0.69564%0.636SS**  trans-64.3173.4171.7-74.4-55.3000111.8I660I660-D662 PolarHBondContact O-N 2.97Å
663F30.8Very low38.3Very low202 Ų202120.2 Ų120.289%0.88664%0.644SS**  trans81.563.3175.8-54.5-84000118.9
664V38.5Very low39.9Very low139 Ų139125.8 Ų125.884%0.84266%0.657SS**  -141.9133.4123.4-176.50000109
665S37.3Very low41.9Very low80 Ų80127.9 Ų127.956%0.55966%0.664SS**  trans-71.7137.8-175.1-50.70000113.5I667S665-I667 PolarHBondContact O-N 2.94Å
666P39.5Very low43.8Very low113 Ų113132.5 Ų132.573%0.73467%0.67SS**THydrogen-bonded Turntrans-59.3-11.6-179.8-27.535.6000116.7H668P666-H668 VanDerWaalsContact C-N 3.3Å; P666-H668 PolarHBondContact O-N 3.35Å
667I41.2Very low45.8Very low130 Ų130130.3 Ų130.367%0.66765%0.652SS**Hα-helixtrans-63.7-31.9-173-60.1171.5000112.2S665 H671S665-I667 PolarHBondContact O-N 2.94Å; I667-H671 WeakPolarHBondContact O-CB 3.14Å; I667-H671 PolarHBondContact O-N 3Å
668H39.8Very low48Very low149 Ų149129.3 Ų129.369%0.6965%0.649SS**Hα-helixtrans-76.4-32.5-175-101.1-93.2000114.5P666 A672P666-H668 VanDerWaalsContact C-N 3.3Å; P666-H668 PolarHBondContact O-N 3.35Å; H668-A672 PolarHBondContact O-N 3.45Å
669L41Very low50.1Low129 Ų129128.3 Ų128.368%0.67564%0.637SS**Hα-helixtrans-75.9-46.7-178.4-168.961.5000111.2H671 A672 E673L669-H671 PolarHBondContact O-N 3.43Å; L669-A672 WeakPolarHBondContact O-CB 3.45Å; L669-A672 PolarHBondContact O-N 3.4Å; L669-E673 PolarHBondContact O-N 3.16Å
670A45.4Very low52.2Low45 Ų45126.9 Ų126.937%0.37263%0.627SS.*Hα-helixtrans-60.4-27.7172.600000112.9R674A670-R674 WeakPolarHBondContact O-CB 3.3Å; A670-R674 VanDerWaalsContact O-CG 3.31Å; A670-R674 WeakPolarHBondContact O-CG 3.42Å; A670-R674 PolarHBondContact O-N 3.26Å; A670-R674 VanDerWaalsContact O-N 3.12Å
671H46.5Very low54.5Low90 Ų90125.6 Ų125.642%0.41762%0.62SS.*Hα-helixtrans-73.5-30.2172.8-163.6-6.1000112.5I667 L669 R675I667-H671 WeakPolarHBondContact O-CB 3.14Å; I667-H671 PolarHBondContact O-N 3Å; L669-H671 PolarHBondContact O-N 3.43Å; H671-R675 PolarHBondContact CD2-NH2 2.9Å; H671-R675 PolarHBondContact CE1-NE 3.37Å; H671-R675 PolarHBondContact ND1-NE 2.99Å; H671-R675 PolarHBondContact NE2-NH2 3.32Å; H671-R675 VanDerWaalsContact O-CG 3.27Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 3.28Å; H671-R675 VanDerWaalsContact O-N 3.08Å
672A51.1Low56.6Low41 Ų41126 Ų12634%0.33961%0.607SS.*Hα-helixtrans-67.7-48.8174.400000111.3H668 L669 R674 R675 Y676H668-A672 PolarHBondContact O-N 3.45Å; L669-A672 WeakPolarHBondContact O-CB 3.45Å; L669-A672 PolarHBondContact O-N 3.4Å; A672-R674 PolarHBondContact O-N 2.88Å; A672-R675 WeakPolarHBondContact O-CB 3.29Å; A672-R675 PolarHBondContact O-N 2.93Å; A672-Y676 WeakPolarHBondContact O-CD2 3.35Å; A672-Y676 PolarHBondContact O-N 2.63Å; A672-Y676 VanDerWaalsContact O-N 3.07Å
673E58.9Low59.1Low125 Ų125124.5 Ų124.558%0.58460%0.598SS**Hα-helixtrans-59.8-45.9176.6-64.5176.7149.100111.5L669 R675 Y676 I677L669-E673 PolarHBondContact O-N 3.16Å; E673-R675 VanDerWaalsContact C-N 3.25Å; E673-R675 PolarHBondContact O-N 2.94Å; E673-Y676 PolarHBondContact O-N 3.23Å; E673-I677 WeakPolarHBondContact O-CG1 3.42Å; E673-I677 PolarHBondContact O-N 3.05Å
674R68Low61.6Low184 Ų184118.3 Ų118.369%0.69458%0.577SS**Hα-helixtrans-60.4-30.2174-76.7-178.8175.8-166.7-0.9113.5A670 A672 Y678A670-R674 WeakPolarHBondContact O-CB 3.3Å; A670-R674 VanDerWaalsContact O-CG 3.31Å; A670-R674 WeakPolarHBondContact O-CG 3.42Å; A670-R674 PolarHBondContact O-N 3.26Å; A670-R674 VanDerWaalsContact O-N 3.12Å; A672-R674 PolarHBondContact O-N 2.88Å; R674-Y678 WeakPolarHBondContact O-CB 3.31Å; R674-Y678 PolarHBondContact O-N 3.4Å
675R72.3Confident63.6Low141 Ų141116.9 Ų116.953%0.53256%0.564SS.*Hα-helixtrans-71.1-44.7174.2-77170.9-165.1-162.61.9111.5H671 A672 E673 I677 Y678 I679H671-R675 PolarHBondContact CD2-NH2 2.9Å; H671-R675 PolarHBondContact CE1-NE 3.37Å; H671-R675 PolarHBondContact ND1-NE 2.99Å; H671-R675 PolarHBondContact NE2-NH2 3.32Å; H671-R675 VanDerWaalsContact O-CG 3.27Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 3.28Å; H671-R675 VanDerWaalsContact O-N 3.08Å; A672-R675 WeakPolarHBondContact O-CB 3.29Å; A672-R675 PolarHBondContact O-N 2.93Å; E673-R675 VanDerWaalsContact C-N 3.25Å; E673-R675 PolarHBondContact O-N 2.94Å; R675-I677 VanDerWaalsContact C-N 3.34Å; R675-I677 PolarHBondContact O-N 3.38Å; R675-Y678 PolarHBondContact O-N 3.21Å; R675-I679 WeakPolarHBondContact O-CB 3.35Å; R675-I679 WeakPolarHBondContact O-CD1 3.48Å; R675-I679 VanDerWaalsContact O-CG1 3.25Å; R675-I679 WeakPolarHBondContact O-CG1 3.38Å; R675-I679 PolarHBondContact O-N 3.19Å
676Y70.2Confident65.8Low179 Ų179117.5 Ų117.570%0.70256%0.56SS**Hα-helixtrans-60.1-44.4175.5-83.6-73.6000111.7A672 E673 Y678 I679 Y680A672-Y676 WeakPolarHBondContact O-CD2 3.35Å; A672-Y676 PolarHBondContact O-N 2.63Å; A672-Y676 VanDerWaalsContact O-N 3.07Å; E673-Y676 PolarHBondContact O-N 3.23Å; Y676-Y678 PolarHBondContact O-N 2.77Å; Y676-I679 PolarHBondContact O-N 3.32Å; Y676-Y680 WeakPolarHBondContact O-CB 3.45Å; Y676-Y680 PolarHBondContact O-N 3.44Å
677I77.6Confident67.7Low98 Ų98118.5 Ų118.550%0.50356%0.555SS.*Hα-helixtrans-61-46.2175.8-65.7166.8000111.2E673 R675 I679 Y680 I681E673-I677 WeakPolarHBondContact O-CG1 3.42Å; E673-I677 PolarHBondContact O-N 3.05Å; R675-I677 VanDerWaalsContact C-N 3.34Å; R675-I677 PolarHBondContact O-N 3.38Å; I677-I679 PolarHBondContact O-N 3.08Å; I677-Y680 PolarHBondContact O-N 3.36Å; I677-I681 HydrophobicContact CG2-CD1 3.69Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3Å; I677-I681 VanDerWaalsContact O-CG1 3.3Å; I677-I681 WeakPolarHBondContact O-CG1 3.12Å; I677-I681 PolarHBondContact O-N 3.02Å
678Y74Confident69.3Low184 Ų184118.1 Ų118.172%0.72255%0.552SS**Hα-helixtrans-63.8-38.8177.2-107-91000113.4R674 R675 Y676 Y682R674-Y678 WeakPolarHBondContact O-CB 3.31Å; R674-Y678 PolarHBondContact O-N 3.4Å; R675-Y678 PolarHBondContact O-N 3.21Å; Y676-Y678 PolarHBondContact O-N 2.77Å; Y678-Y682 VanDerWaalsContact O-CB 3.24Å; Y678-Y682 WeakPolarHBondContact O-CB 3.2Å; Y678-Y682 PolarHBondContact O-N 3.36Å
679I82Confident71.1Confident95 Ų95117.6 Ų117.649%0.48755%0.548SS..Hα-helixtrans-66.1-45.2176.8-71164.6000110R675 Y676 I677 Y682 I683R675-I679 WeakPolarHBondContact O-CB 3.35Å; R675-I679 WeakPolarHBondContact O-CD1 3.48Å; R675-I679 VanDerWaalsContact O-CG1 3.25Å; R675-I679 WeakPolarHBondContact O-CG1 3.38Å; R675-I679 PolarHBondContact O-N 3.19Å; Y676-I679 PolarHBondContact O-N 3.32Å; I677-I679 PolarHBondContact O-N 3.08Å; I679-Y682 PolarHBondContact O-N 2.87Å; I679-I683 HydrophobicContact CG2-CD1 3.71Å; I679-I683 HydrophobicContact CG2-CG1 4.44Å; I679-I683 WeakPolarHBondContact O-CB 3.46Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.17Å
680Y77.4Confident72.6Confident173 Ų173115 Ų11568%0.67854%0.537SS*.Hα-helixtrans-63-47.8178.8-159-95.1000111.6Y676 I677 Y682 I683 T684Y676-Y680 WeakPolarHBondContact O-CB 3.45Å; Y676-Y680 PolarHBondContact O-N 3.44Å; I677-Y680 PolarHBondContact O-N 3.36Å; Y680-Y682 VanDerWaalsContact C-N 3.32Å; Y680-Y682 PolarHBondContact O-N 3.25Å; Y680-I683 PolarHBondContact O-N 2.85Å; Y680-T684 PolarHBondContact O-N 3.39Å; Y680-T684 PolarHBondContact O-OG1 2.95Å; Y680-T684 VanDerWaalsContact O-OG1 3.12Å
681I83.6Confident73.6Confident89 Ų89115.5 Ų115.546%0.45654%0.537SS..Hα-helixtrans-59.7-42.3174.8-68.9170000111.1I677 T684 L685I677-I681 HydrophobicContact CG2-CD1 3.69Å; I677-I681 HydrophobicContact CG2-CG1 4.43Å; I677-I681 WeakPolarHBondContact O-CB 3Å; I677-I681 VanDerWaalsContact O-CG1 3.3Å; I677-I681 WeakPolarHBondContact O-CG1 3.12Å; I677-I681 PolarHBondContact O-N 3.02Å; I681-T684 PolarHBondContact O-N 2.89Å; I681-L685 HydrophobicContact CG2-CD1 3.81Å; I681-L685 HydrophobicContact CG2-CG 4.35Å; I681-L685 VanDerWaalsContact O-CB 3.29Å; I681-L685 WeakPolarHBondContact O-CB 3.39Å; I681-L685 VanDerWaalsContact O-CG 3.31Å; I681-L685 WeakPolarHBondContact O-CG 3.47Å; I681-L685 PolarHBondContact O-N 3.37Å
682Y82Confident74.2Confident130 Ų130113.8 Ų113.851%0.5154%0.535SS..Hα-helixtrans-65.8-40.9178.1-173.3-93.9000112.3Y678 I679 Y680 L686Y678-Y682 VanDerWaalsContact O-CB 3.24Å; Y678-Y682 WeakPolarHBondContact O-CB 3.2Å; Y678-Y682 PolarHBondContact O-N 3.36Å; I679-Y682 PolarHBondContact O-N 2.87Å; Y680-Y682 VanDerWaalsContact C-N 3.32Å; Y680-Y682 PolarHBondContact O-N 3.25Å; Y682-L686 HydrophobicContact CE1-CD1 4.45Å; Y682-L686 VanDerWaalsContact O-CB 3.28Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 2.91Å
683I84.4Confident74.3Confident99 Ų99119 Ų11951%0.50855%0.55SS.*Hα-helixtrans-64.3-47.9175.9-70.6168.2000110.5I679 Y680 L685 L686 H687I679-I683 HydrophobicContact CG2-CD1 3.71Å; I679-I683 HydrophobicContact CG2-CG1 4.44Å; I679-I683 WeakPolarHBondContact O-CB 3.46Å; I679-I683 VanDerWaalsContact O-CG1 3.3Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 3.17Å; Y680-I683 PolarHBondContact O-N 2.85Å; I683-L685 PolarHBondContact O-N 2.74Å; I683-L686 PolarHBondContact O-N 2.88Å; I683-L686 VanDerWaalsContact O-N 3.16Å; I683-H687 WeakPolarHBondContact O-CB 3.48Å; I683-H687 PolarHBondContact O-N 2.75Å
684T81.9Confident73.7Confident71 Ų71118.3 Ų118.344%0.43655%0.55SS.*Hα-helixtrans-63.2-41.7178.4-57.60000111.7Y680 I681 H687 M688Y680-T684 PolarHBondContact O-N 3.39Å; Y680-T684 PolarHBondContact O-OG1 2.95Å; Y680-T684 VanDerWaalsContact O-OG1 3.12Å; I681-T684 PolarHBondContact O-N 2.89Å; T684-H687 PolarHBondContact O-N 2.7Å; T684-M688 WeakPolarHBondContact O-CB 3.49Å; T684-M688 VanDerWaalsContact O-CG 3.32Å; T684-M688 WeakPolarHBondContact O-CG 3.07Å; T684-M688 PolarHBondContact O-N 3.1Å
685L81.9Confident72.7Confident110 Ų110114 Ų11458%0.57655%0.545SS*.Hα-helixtrans-64.5-37.9172.9-76.9173000112.4I681 I683 K689I681-L685 HydrophobicContact CG2-CD1 3.81Å; I681-L685 HydrophobicContact CG2-CG 4.35Å; I681-L685 VanDerWaalsContact O-CB 3.29Å; I681-L685 WeakPolarHBondContact O-CB 3.39Å; I681-L685 VanDerWaalsContact O-CG 3.31Å; I681-L685 WeakPolarHBondContact O-CG 3.47Å; I681-L685 PolarHBondContact O-N 3.37Å; I683-L685 PolarHBondContact O-N 2.74Å; L685-K689 VanDerWaalsContact O-CB 3.26Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.38Å
686L83.3Confident71.4Confident92 Ų92116.1 Ų116.148%0.48256%0.558SS.*Hα-helixtrans-66.2-43.4175.8-159.978.7000110.7Y682 I683 K689 V690Y682-L686 HydrophobicContact CE1-CD1 4.45Å; Y682-L686 VanDerWaalsContact O-CB 3.28Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 2.91Å; I683-L686 PolarHBondContact O-N 2.88Å; I683-L686 VanDerWaalsContact O-N 3.16Å; L686-K689 CarbonylContact O-C 3.57Å; L686-K689 PolarHBondContact O-N 3.32Å; L686-K689 VanDerWaalsContact O-N 3.1Å; L686-V690 WeakPolarHBondContact O-CG2 3.48Å; L686-V690 PolarHBondContact O-N 2.88Å
687H78.9Confident70.2Confident135 Ų135111.5 Ų111.563%0.62555%0.551SS**Hα-helixtrans-62.1-48.4176.7-156.5-123.6000110.8I683 T684 K689 V690 S691I683-H687 WeakPolarHBondContact O-CB 3.48Å; I683-H687 PolarHBondContact O-N 2.75Å; T684-H687 PolarHBondContact O-N 2.7Å; H687-K689 VanDerWaalsContact C-N 3.28Å; H687-K689 PolarHBondContact O-N 3.38Å; H687-V690 PolarHBondContact O-N 3.47Å; H687-S691 PolarHBondContact O-N 3.04Å; H687-S691 PolarHBondContact O-OG 3.5Å
688M75Confident68.3Low122 Ų122110.7 Ų110.760%0.60155%0.548SS*.Hα-helixtrans-57.5-37.2170.6-72.7-120.485.100112.6T684 S692T684-M688 WeakPolarHBondContact O-CB 3.49Å; T684-M688 VanDerWaalsContact O-CG 3.32Å; T684-M688 WeakPolarHBondContact O-CG 3.07Å; T684-M688 PolarHBondContact O-N 3.1Å; M688-S692 WeakPolarHBondContact O-CB 3.38Å; M688-S692 PolarHBondContact O-N 3.3Å; M688-S692 PolarHBondContact O-OG 2.99Å
689K77.2Confident66.6Low138 Ų138106.1 Ų106.160%0.655%0.549SS*.Hα-helixtrans-74.8-27.8179.4-153.967.5168.8-173.50113.6L685 L686 H687 K693L685-K689 VanDerWaalsContact O-CB 3.26Å; L685-K689 WeakPolarHBondContact O-CB 3.4Å; L685-K689 PolarHBondContact O-N 3.38Å; L686-K689 CarbonylContact O-C 3.57Å; L686-K689 PolarHBondContact O-N 3.32Å; L686-K689 VanDerWaalsContact O-N 3.1Å; H687-K689 VanDerWaalsContact C-N 3.28Å; H687-K689 PolarHBondContact O-N 3.38Å; K689-K693 WeakPolarHBondContact O-CB 3.27Å; K689-K693 WeakPolarHBondContact O-CG 3.32Å; K689-K693 PolarHBondContact O-N 3.07Å
690V73.8Confident64.5Low74 Ų74108.5 Ų108.545%0.44857%0.567SS.*Hα-helixtrans-73.7-53.9170.6171.30000109.2L686 H687 S692 K693 L694L686-V690 WeakPolarHBondContact O-CG2 3.48Å; L686-V690 PolarHBondContact O-N 2.88Å; H687-V690 PolarHBondContact O-N 3.47Å; V690-S692 PolarHBondContact O-N 3.48Å; V690-K693 WeakPolarHBondContact O-CA 3.45Å; V690-K693 PolarHBondContact O-N 3.19Å; V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 WeakPolarHBondContact O-CD1 3.44Å; V690-L694 PolarHBondContact O-N 2.71Å
691S65.5Low62.5Low55 Ų55106.9 Ų106.939%0.38557%0.57SS.*Hα-helixtrans-58.5-43.5179.2-59.70000112.7H687 K693 L694 T695H687-S691 PolarHBondContact O-N 3.04Å; H687-S691 PolarHBondContact O-OG 3.5Å; S691-K693 PolarHBondContact O-N 3.41Å; S691-L694 PolarHBondContact O-N 2.92Å; S691-T695 WeakPolarHBondContact O-CB 3.4Å; S691-T695 VanDerWaalsContact O-CG2 3.3Å; S691-T695 WeakPolarHBondContact O-CG2 3.47Å; S691-T695 PolarHBondContact O-N 3.38Å; S691-T695 PolarHBondContact O-OG1 2.89Å
692S59.8Low60Low54 Ų54111.7 Ų111.738%0.37858%0.584SS.*Hα-helixtrans-72.9-8175.762.10000115.2M688 V690 T695M688-S692 WeakPolarHBondContact O-CB 3.38Å; M688-S692 PolarHBondContact O-N 3.3Å; M688-S692 PolarHBondContact O-OG 2.99Å; V690-S692 PolarHBondContact O-N 3.48Å; S692-T695 WeakPolarHBondContact CA-OG1 3.39Å
693K52.1Low57.7Low150 Ų150116.8 Ų116.865%0.65260%0.602SS**Hα-helixtrans-92.5-42.4168.2-85.7-173.3169.6-169.60112.4K689 V690 S691K689-K693 WeakPolarHBondContact O-CB 3.27Å; K689-K693 WeakPolarHBondContact O-CG 3.32Å; K689-K693 PolarHBondContact O-N 3.07Å; V690-K693 WeakPolarHBondContact O-CA 3.45Å; V690-K693 PolarHBondContact O-N 3.19Å; S691-K693 PolarHBondContact O-N 3.41Å
694L46.6Very low55.2Low112 Ų112120.3 Ų120.359%0.58661%0.614SS**Hα-helixtrans-70.4-35.8178.7-87.368000112.1V690 S691 K696 S697V690-L694 HydrophobicContact CG1-CD1 4.02Å; V690-L694 WeakPolarHBondContact O-CD1 3.44Å; V690-L694 PolarHBondContact O-N 2.71Å; S691-L694 PolarHBondContact O-N 2.92Å; L694-K696 PolarHBondContact O-N 3.43Å; L694-K696 VanDerWaalsContact O-N 3.1Å; L694-S697 PolarHBondContact O-OG 2.69Å
695T47.6Very low52.7Low93 Ų93125.5 Ų125.557%0.57163%0.633SS**THydrogen-bonded Turntrans-69-5-179.947.30000115.2S691 S692S691-T695 WeakPolarHBondContact O-CB 3.4Å; S691-T695 VanDerWaalsContact O-CG2 3.3Å; S691-T695 WeakPolarHBondContact O-CG2 3.47Å; S691-T695 PolarHBondContact O-N 3.38Å; S691-T695 PolarHBondContact O-OG1 2.89Å; S692-T695 WeakPolarHBondContact CA-OG1 3.39Å
696K45.5Very low50.4Low185 Ų185129.4 Ų129.480%0.80465%0.648SS**THydrogen-bonded Turntrans-104.7-5.3-178-74.4-171.5173.7-176.60115.3L694L694-K696 PolarHBondContact O-N 3.43Å; L694-K696 VanDerWaalsContact O-N 3.1Å
697S43.8Very low48Very low82 Ų82129.9 Ų129.957%0.57366%0.66SS**THydrogen-bonded Turntrans-104.1-43.1176.239.60000113.3L694L694-S697 PolarHBondContact O-OG 2.69Å
698D37.5Very low45.8Very low81 Ų81129.5 Ų129.543%0.43367%0.667SS.*SBendtrans-1107.6-160.2-57.9-77.4000115V700 N701 Y702D698-V700 PolarHBondContact O-N 3.05Å; D698-N701 PolarHBondContact O-N 2.96Å; D698-N701 VanDerWaalsContact O-N 3.1Å; D698-Y702 HydrophobicContact CB-CD2 3.83Å; D698-Y702 HydrophobicContact CB-CE2 3.93Å
699A38.8Very low43.8Very low89 Ų89129.1 Ų129.174%0.73667%0.668SS**THydrogen-bonded Turntrans-64.45.5-176.600000115.9
700V38.6Very low41.9Very low144 Ų144127.8 Ų127.887%0.87367%0.673SS**THydrogen-bonded Turntrans-110.2-16.2177.8-178.60000112.3D698D698-V700 PolarHBondContact O-N 3.05Å
701N35.1Very low40.2Very low139 Ų139130.1 Ų130.174%0.74368%0.683SS**THydrogen-bonded Turntrans-123.2-2.6-169.1-14923.6000115.9D698 R703D698-N701 PolarHBondContact O-N 2.96Å; D698-N701 VanDerWaalsContact O-N 3.1Å; N701-R703 PolarHBondContact O-N 3.25Å
702Y31.7Very low38.9Very low190 Ų190136.9 Ų136.975%0.74570%0.701SS**THydrogen-bonded Turntrans-92.323-179.8-92.5-82.3000115.2D698D698-Y702 HydrophobicContact CB-CD2 3.83Å; D698-Y702 HydrophobicContact CB-CE2 3.93Å
703R33.4Very low38Very low237 Ų237140.9 Ų140.989%0.89472%0.718SS**THydrogen-bonded Turntrans-97.84.1177.5-143.9173.5-166.9161.66.3114.7N701N701-R703 PolarHBondContact O-N 3.25Å
704F30.5Very low37.3Very low174 Ų174139.5 Ų139.576%0.76372%0.717SS**SBendtrans-135152.5169.3-81.8-101.5000108.4
705H30.4Very low36.9Very low180 Ų180139.7 Ų139.783%0.83372%0.715SS**  trans73.556.3-179.3-58.7-80.3000118.7
706Q34Very low36.6Very low191 Ų191138.9 Ų138.989%0.89371%0.713SS**  trans-129.786.3139.3-96.5-171.16.300111.3
707S33.3Very low36.3Very low102 Ų102137.5 Ų137.571%0.71371%0.709SS**  trans-84.7167143.970.20000107.7
708T31.3Very low36.2Very low128 Ų128139.8 Ų139.879%0.78571%0.709SS**  cis-152.2112.911.9-31.70000108.8
709N33.6Very low36.4Very low114 Ų114145.7 Ų145.761%0.6173%0.725SS**  trans-158.9112.5166.6-158.1-32.1000110.9N711N709-N711 PolarHBondContact O-N 2.9Å
710P37.1Very low36.4Very low109 Ų109149.3 Ų149.371%0.70873%0.727SS**THydrogen-bonded Turntrans-79.9-12.8-16830.8-35.8000115.3
711N38.7Very low36.4Very low124 Ų124146.2 Ų146.266%0.66371%0.711SS**THydrogen-bonded Turntrans-92.1-12.7-164.5-69.5-40.2000116N709N709-N711 PolarHBondContact O-N 2.9Å
712Y37.9Very low36.6Very low196 Ų196149.3 Ų149.377%0.76971%0.713SS**SBendtrans-91.7-12.1-172.4-95.1-86000116.1
713L40.2Very low36.9Very low138 Ų138147.4 Ų147.472%0.72372%0.715SS**SBendtrans-83.6-18.9177.3-82.5167.4000113.8E715 S716L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.44Å; L713-S716 PolarHBondContact O-OG 2.93Å
714L38.6Very low36.8Very low121 Ų121140 Ų14063%0.63471%0.712SS**THydrogen-bonded Turntrans-80.4-9.3-171.5-135.474.8000114.6K718L714-K718 WeakPolarHBondContact O-CD 3.3Å; L714-K718 WeakPolarHBondContact O-CE 3.48Å; L714-K718 PolarHBondContact O-NZ 2.83Å
715E36.8Very low37Very low117 Ų117136.3 Ų136.355%0.54771%0.706SS.*THydrogen-bonded Turntrans-109.2-20.8-172.9-146.858.1-144.200113.8L713 K718L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.44Å; E715-K718 IonicContact OE1-NZ 2.7Å; E715-K718 PolarHBondContact OE1-NZ 2.95Å; E715-K718 IonicContact OE2-NZ 3.56Å; E715-K718 PolarHBondContact OE2-NZ 3.08Å
716S41.2Very low37.3Very low76 Ų76135.5 Ų135.553%0.53171%0.708SS.*THydrogen-bonded Turntrans-77.3-39.4172.345.70000112.5L713 K718 R719L713-S716 PolarHBondContact O-OG 2.93Å; S716-K718 VanDerWaalsContact C-N 3.27Å; S716-K718 PolarHBondContact O-N 3.37Å; S716-R719 PolarHBondContact O-N 3.05Å
717E39.1Very low37.5Very low156 Ų156130.8 Ų130.873%0.72969%0.693SS**G310 helixtrans-71.4-21.5-174.4-160.2155.5-134.100112.9R719E717-R719 VanDerWaalsContact C-N 3.27Å; E717-R719 PolarHBondContact O-N 3.06Å
718K41.7Very low37.7Very low129 Ų129132 Ų13256%0.56170%0.696SS**G310 helixtrans-69-13.8177.3-69.7172.4-174.9159.50115.2L714 E715 S716L714-K718 WeakPolarHBondContact O-CD 3.3Å; L714-K718 WeakPolarHBondContact O-CE 3.48Å; L714-K718 PolarHBondContact O-NZ 2.83Å; E715-K718 IonicContact OE1-NZ 2.7Å; E715-K718 PolarHBondContact OE1-NZ 2.95Å; E715-K718 IonicContact OE2-NZ 3.56Å; E715-K718 PolarHBondContact OE2-NZ 3.08Å; S716-K718 VanDerWaalsContact C-N 3.27Å; S716-K718 PolarHBondContact O-N 3.37Å
719R41.9Very low38Very low205 Ų205131 Ų13177%0.77469%0.694SS**G310 helixtrans-91.5-10.7-170-71.2-168.4170.1-134.9-4.9115.4S716 E717S716-R719 PolarHBondContact O-N 3.05Å; E717-R719 VanDerWaalsContact C-N 3.27Å; E717-R719 PolarHBondContact O-N 3.06Å
720H40.1Very low38.1Very low166 Ų166133.3 Ų133.377%0.76971%0.706SS**  trans-132.155.6-173.6-63.9-27.4000113.5
721S38.6Very low38Very low78 Ų78133.5 Ų133.555%0.54571%0.71SS.*  trans-122.3103.2167.8-170.90000111.2L723S721-L723 PolarHBondContact OG-O 3.26Å
722W39.4Very low37.8Very low205 Ų205133 Ų13378%0.77772%0.716SS**SBendtrans-95.7-0.5174.2-90.290.1000113.3
723L37.3Very low37.6Very low150 Ų150130.7 Ų130.779%0.78571%0.712SS**SBendtrans-141.6110.3179.3-69172.2000108.2S721 C725S721-L723 PolarHBondContact OG-O 3.26Å; L723-C725 PolarHBondContact O-N 3.28Å
724G31.5Very low37.3Very low82 Ų82132 Ų13285%0.84571%0.712SS**  trans-68.296.8-17200000113.6
725C35.5Very low37Very low95 Ų95130 Ų13064%0.64272%0.722SS**  trans-149.992.3171.3-87.40000109.6L723L723-C725 PolarHBondContact O-N 3.28Å
726D35.5Very low36.6Very low164 Ų164134 Ų13488%0.87773%0.733SS**  trans-69.2132.2169-62.5-39.7000109.5
727V37.7Very low36.3Very low92 Ų92141.9 Ų141.956%0.55875%0.753SS**  trans-119.989.5177.9-178.30000109S729V727-S729 PolarHBondContact O-N 3.07Å; V727-S729 PolarHBondContact O-OG 3.12Å
728T38Very low35.8Very low127 Ų127141.8 Ų141.878%0.77976%0.756SS**  trans-59.6131.8169.144.80000109.7
729S37.7Very low35.6Very low106 Ų106143.5 Ų143.574%0.74177%0.77SS**  trans-115.860.9-171.2-65.20000111V727V727-S729 PolarHBondContact O-N 3.07Å; V727-S729 PolarHBondContact O-OG 3.12Å
730D36.7Very low35.1Very low163 Ų163138.9 Ų138.987%0.87277%0.767SS**  trans-68.6143173.9-82.8-37.3000111.5
731S34.7Very low34.5Very low114 Ų114138.6 Ų138.680%0.79777%0.771SS**  trans-145.3166.1-177.362.10000110.6
732S34.5Very low34.3Very low113 Ų113140.9 Ų140.979%0.7979%0.786SS**  trans82.177.5-176.4-164.80000117.2
733E33.2Very low33.8Very low147 Ų147134.9 Ų134.969%0.68779%0.788SS**  trans22.6138.7130.5-68-157.1113.500123
734K33.6Very low33.8Very low166 Ų166134.6 Ų134.672%0.72279%0.787SS**  trans79.197.5141.6-70.6159.1-174.3150.40119.9
735G31.6Very low33.7Very low80 Ų80137.6 Ų137.683%0.82578%0.784SS**  trans-162.5114.8151.100000110.5
736Y29.6Very low33.5Very low201 Ų201141.8 Ų141.879%0.78879%0.791SS**  trans-94.5132.5-176.3-73.4-95.2000112.3
737Y34.4Very low33.4Very low240 Ų240137.9 Ų137.994%0.94177%0.768SS**  trans-156.8147.5138-87.3-63.4000109.9
738L29.9Very low33Very low154 Ų154140.8 Ų140.881%0.80678%0.78SS**  trans-103.3132.4-176-76.468.3000111.3
739I36.3Very low32.7Very low166 Ų166139.7 Ų139.785%0.85178%0.777SS**  trans-140.9141.1152.8-65-170.3000107
740P30.8Very low32.4Very low108 Ų108144 Ų14470%0.70178%0.783SS**  trans-106.6163.4-151.839.9-36.3000117.4
741D27.8Very low32.2Very low160 Ų160142.4 Ų142.486%0.85678%0.775SS**  trans33.498.9151-63.9-20.9000120
742S35.4Very low32.3Very low125 Ų125144.6 Ų144.687%0.87478%0.777SS**  trans-147.8107147.2-770000108.6L744S742-L744 PolarHBondContact O-N 3.45Å
743G28.8Very low32.5Very low79 Ų79143.8 Ų143.881%0.81477%0.772SS**  trans-83117-162.300000115
744L36.3Very low32.7Very low144 Ų144144.9 Ų144.975%0.75478%0.782SS**  trans-122.8101.1161.7-71.5176.4000110.2S742 F746S742-L744 PolarHBondContact O-N 3.45Å; L744-F746 HydrophobicContact CB-CD2 4.12Å; L744-F746 HydrophobicContact CB-CE2 4.06Å; L744-F746 HydrophobicContact CD1-CE2 4.24Å; L744-F746 PolarHBondContact O-N 3.29Å
745N30Very low33Very low146 Ų146145.3 Ų145.378%0.78179%0.791SS**  trans-74.584.9174.6-101-68.8000110.6Q747N745-Q747 VanDerWaalsContact C-N 3.27Å; N745-Q747 PolarHBondContact O-N 3.2Å
746F30.6Very low33.1Very low183 Ų183146.7 Ų146.780%0.80379%0.788SS**  trans-89.960.2163.7-74.1-70.1000111.3L744L744-F746 HydrophobicContact CB-CD2 4.12Å; L744-F746 HydrophobicContact CB-CE2 4.06Å; L744-F746 HydrophobicContact CD1-CE2 4.24Å; L744-F746 PolarHBondContact O-N 3.29Å
747Q33.2Very low33.4Very low82 Ų82142.9 Ų142.938%0.38379%0.789SS.*  trans-91.6132161.9-163.1100.7900109D239 R243 N745 S749D239-Q747 PolarHBondContact OD2-NE2 3.2Å; R243-Q747 VanDerWaalsContact CZ-CG 3.5Å; R243-Q747 VanDerWaalsContact CZ-OE1 3.23Å; R243-Q747 VanDerWaalsContact NE-CD 3.25Å; N745-Q747 VanDerWaalsContact C-N 3.27Å; N745-Q747 PolarHBondContact O-N 3.2Å; Q747-S749 PolarHBondContact O-N 2.94Å
748N29.8Very low33.4Very low152 Ų152137.8 Ų137.881%0.81378%0.779SS**  trans-59.6101.3176.1-62.9-48.4000111.4F750N748-F750 VanDerWaalsContact C-N 3.31Å; N748-F750 PolarHBondContact O-N 2.73Å
749S31.6Very low33.9Very low104 Ų104136.2 Ų136.273%0.72778%0.777SS**  trans-96.153.7171.8-168.50000110.7Q747 D751Q747-S749 PolarHBondContact O-N 2.94Å; S749-D751 PolarHBondContact O-N 3.25Å
750F32Very low34.1Very low196 Ų196134.8 Ų134.886%0.8677%0.771SS**  trans-7979166.5-99-84.5000108.9N748N748-F750 VanDerWaalsContact C-N 3.31Å; N748-F750 PolarHBondContact O-N 2.73Å
751D33Very low34.6Very low131 Ų131135.7 Ų135.770%0.70178%0.775SS**SBendtrans-173.3177.9151.8-92.2-30.7000109.3S749 S753S749-D751 PolarHBondContact O-N 3.25Å; D751-S753 VanDerWaalsContact C-N 3.26Å; D751-S753 PolarHBondContact O-N 2.88Å
752D36.8Very low34.8Very low159 Ų159134.1 Ų134.185%0.8577%0.771SS**SBendtrans61.7-22.4176.5-66.4-21.4000120L754D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.19Å
753S37.6Very low34.5Very low96 Ų96133 Ų13367%0.67176%0.762SS**G310 helixtrans-78-3.6179.9-66.70000115.5D751 L755D751-S753 VanDerWaalsContact C-N 3.26Å; D751-S753 PolarHBondContact O-N 2.88Å; S753-L755 VanDerWaalsContact C-N 3.3Å; S753-L755 PolarHBondContact O-N 2.93Å
754L37.1Very low34.7Very low171 Ų171135.6 Ų135.690%0.89576%0.762SS**G310 helixtrans-82.14.7-175.2-74.8175.3000115.4D752D752-L754 VanDerWaalsContact C-N 3.29Å; D752-L754 PolarHBondContact O-N 3.19Å
755L39.7Very low34.5Very low174 Ų174133 Ų13391%0.91176%0.756SS**G310 helixtrans-112.45.4-179.5-65.7178.1000114.7S753S753-L755 VanDerWaalsContact C-N 3.3Å; S753-L755 PolarHBondContact O-N 2.93Å
756S35.7Very low34.7Very low109 Ų109136.7 Ų136.776%0.76277%0.765SS**  trans-145.960.3-176.3-174.30000114.3
757C33.9Very low34.9Very low122 Ų122131.1 Ų131.182%0.82475%0.753SS**  trans-130.5136.5166.5-82.60000111.1
758D35.5Very low35Very low133 Ų133136.9 Ų136.971%0.71177%0.773SS**  trans-65.3143.8-173.5-95.3-68.4000114.3N760D758-N760 PolarHBondContact O-N 2.84Å
759P39.9Very low35.3Very low120 Ų120136.2 Ų136.278%0.77978%0.778SS**THydrogen-bonded Turntrans-7511-174.932.7-37.7000114.9
760N39.8Very low35.9Very low136 Ų136140.8 Ų140.873%0.72779%0.785SS**THydrogen-bonded Turntrans-116-1-169-70.8-50.5000115.4D758 V762D758-N760 PolarHBondContact O-N 2.84Å; N760-V762 PolarHBondContact O-N 3.36Å
761V41.6Very low36.7Very low127 Ų127138.5 Ų138.577%0.7778%0.781SS**  trans-85.3106174.5-178.10000110.1C763V761-C763 PolarHBondContact O-N 3.43Å
762V32.3Very low37Very low128 Ų128135.8 Ų135.878%0.77677%0.77SS**  trans-77.190.9-179.8-178.50000110.5N760 T764N760-V762 PolarHBondContact O-N 3.36Å; V762-T764 HydrophobicContact CG1-CG2 3.98Å
763C29.4Very low37.4Very low101 Ų101135.6 Ų135.668%0.68276%0.764SS**  trans-94.6112.5168.1-164.70000110.5V761 S765V761-C763 PolarHBondContact O-N 3.43Å; C763-S765 PolarHBondContact O-N 3.38Å; C763-S765 VanDerWaalsContact O-N 3.12Å
764T32.6Very low38Very low134 Ų134140.1 Ų140.182%0.82277%0.767SS**  trans-87.865-173.552.80000113V762V762-T764 HydrophobicContact CG1-CG2 3.98Å
765S33.2Very low38.5Very low90 Ų90137.3 Ų137.363%0.62975%0.752SS**  trans-129.337.7-178.552.60000113C763 A767C763-S765 PolarHBondContact O-N 3.38Å; C763-S765 VanDerWaalsContact O-N 3.12Å; S765-A767 VanDerWaalsContact C-N 3.3Å; S765-A767 PolarHBondContact O-N 3.01Å
766K33.6Very low39Very low223 Ų223137.3 Ų137.397%0.9775%0.745SS**  trans-83.459.9-167.5-146.3167.6-166.5168.70114.3
767A35.3Very low39.9Very low66 Ų66139.6 Ų139.655%0.54575%0.747SS.*  trans-134.8162.8175.200000112.2S765S765-A767 VanDerWaalsContact C-N 3.3Å; S765-A767 PolarHBondContact O-N 3.01Å
768Y35.5Very low40.7Very low203 Ų203140 Ų14080%0.79674%0.74SS**  trans62.550.2168.6-50.1-63.1000118.8
769C34.9Very low41.8Very low137 Ų137142 Ų14293%0.92674%0.742SS**  trans-132.663.6152.4-87.70000110.9
770K44.2Very low42.2Very low201 Ų201141.2 Ų141.287%0.87474%0.737SS**  trans-105.6114.8171.3-94-176175.81760110.1
771L49.3Very low42.7Very low147 Ų147140.2 Ų140.277%0.7773%0.731SS**  trans-56.8136.2174.7-169.771.7000110.9Q773L771-Q773 PolarHBondContact O-N 2.7Å
772P40.1Very low43.6Very low74 Ų74141.4 Ų141.448%0.48173%0.733SS.*  trans-56119.7-174.8-29.236.6000113.7R774 L775P772-R774 PolarHBondContact O-N 2.9Å; P772-L775 PolarHBondContact O-N 3.49Å; P772-L775 VanDerWaalsContact O-N 3.1Å
773Q45.2Very low45.3Very low156 Ų156138.4 Ų138.473%0.72973%0.728SS**G310 helixtrans-64-15.4-171.7-165159.5-39.300113.8L771 L775 K776L771-Q773 PolarHBondContact O-N 2.7Å; Q773-L775 VanDerWaalsContact C-N 3.29Å; Q773-L775 PolarHBondContact O-N 3.18Å; Q773-K776 HydrophobicContact CG-CD 4.41Å; Q773-K776 WeakPolarHBondContact O-CB 3.23Å; Q773-K776 PolarHBondContact O-N 3.32Å
774R48.6Very low47.4Very low191 Ų191135.3 Ų135.372%0.72171%0.708SS**G310 helixtrans-69.3-18.6175.5-66.5178.469.7167.8-0.4114P772 K776P772-R774 PolarHBondContact O-N 2.9Å; R774-K776 VanDerWaalsContact C-N 3.27Å; R774-K776 PolarHBondContact O-N 3.07Å
775L48.7Very low49.4Very low111 Ų111135.2 Ų135.258%0.58170%0.702SS**G310 helixtrans-77.9-7.6172.7-71.4173.3000113.7P772 Q773 L777P772-L775 PolarHBondContact O-N 3.49Å; P772-L775 VanDerWaalsContact O-N 3.1Å; Q773-L775 VanDerWaalsContact C-N 3.29Å; Q773-L775 PolarHBondContact O-N 3.18Å; L775-L777 PolarHBondContact O-N 2.92Å
776K49.9Very low51.5Low175 Ų175135.5 Ų135.576%0.76170%0.7SS**G310 helixtrans-75.35.6175.4-67.4-166.5173.7-173.40114.8Q773 R774Q773-K776 HydrophobicContact CG-CD 4.41Å; Q773-K776 WeakPolarHBondContact O-CB 3.23Å; Q773-K776 PolarHBondContact O-N 3.32Å; R774-K776 VanDerWaalsContact C-N 3.27Å; R774-K776 PolarHBondContact O-N 3.07Å
777L55.2Low53.5Low157 Ų157129.5 Ų129.582%0.82268%0.678SS**G310 helixtrans-93.30.2176.7-87.3164.4000114.3L775 K779L775-L777 PolarHBondContact O-N 2.92Å; L777-K779 PolarHBondContact O-N 3.1Å
778I50.3Low55.4Low130 Ų130129.7 Ų129.767%0.66767%0.667SS**SBendtrans-71108.2163.3-57.7174.6000107.3
779K57.4Low57.5Low175 Ų175125.6 Ų125.676%0.76166%0.655SS**  trans-56.1129.7167-77.4-176.4176.3179.40108.2L777 L781L777-K779 PolarHBondContact O-N 3.1Å; K779-L781 PolarHBondContact O-N 3.25Å; K779-L781 VanDerWaalsContact O-N 3.11Å
780P50.1Low59.4Low103 Ų103127.4 Ų127.467%0.66964%0.643SS**  trans-61.1119.3171.426-32.7000108.4D782P780-D782 PolarHBondContact O-N 3.38Å
781L49.8Very low61Low116 Ų116123.7 Ų123.761%0.60763%0.628SS**  trans-83.549.5178.8-69.2175.9000111K779 G783 S784K779-L781 PolarHBondContact O-N 3.25Å; K779-L781 VanDerWaalsContact O-N 3.11Å; L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 3.48Å; L781-S784 PolarHBondContact O-N 2.94Å
782D59Low62.2Low152 Ų152121.3 Ų121.381%0.81361%0.613SS**THydrogen-bonded Turntrans-64.989.2172.6-75.1-39.5000109.3P780P780-D782 PolarHBondContact O-N 3.38Å
783G67.9Low63.7Low64 Ų64122.3 Ų122.366%0.6661%0.614SS**THydrogen-bonded Turntrans141.9-13.1-172.200000114.4L781 N785L781-G783 VanDerWaalsContact C-N 3.31Å; L781-G783 PolarHBondContact O-N 3.48Å; G783-N785 PolarHBondContact O-N 2.82Å; G783-N785 VanDerWaalsContact O-N 3.11Å
784S74.1Confident65.1Low37 Ų37118.6 Ų118.626%0.25961%0.61SS.*  trans-72106.5177-179.80000111.8L781 V786 L787 Q788L781-S784 PolarHBondContact O-N 2.94Å; S784-V786 PolarHBondContact O-N 3.29Å; S784-V786 PolarHBondContact OG-N 2.67Å; S784-L787 PolarHBondContact O-N 2.9Å; S784-L787 PolarHBondContact OG-N 2.96Å; S784-L787 VanDerWaalsContact OG-N 3.15Å; S784-Q788 PolarHBondContact O-N 3.26Å
785N75Confident66.2Low132 Ų132113.3 Ų113.371%0.70660%0.599SS**Hα-helixtrans-56.4-31.5169.2-88.1-32.4000112.2G783 Q788 H789G783-N785 PolarHBondContact O-N 2.82Å; G783-N785 VanDerWaalsContact O-N 3.11Å; N785-Q788 PolarHBondContact O-N 3Å; N785-H789 WeakPolarHBondContact O-CB 3.39Å; N785-H789 PolarHBondContact O-N 3.06Å
786V77.3Confident66.6Low96 Ų96114.2 Ų114.258%0.58261%0.611SS**Hα-helixtrans-65.8-44.3174.8-179.10000110.4S784 Q788 H789 W790S784-V786 PolarHBondContact O-N 3.29Å; S784-V786 PolarHBondContact OG-N 2.67Å; V786-Q788 PolarHBondContact O-N 3.34Å; V786-H789 PolarHBondContact O-N 3.06Å; V786-W790 VanDerWaalsContact O-CD1 3.31Å; V786-W790 PolarHBondContact O-N 2.95Å
787L74.6Confident66.9Low97 Ų97108.5 Ų108.551%0.50859%0.593SS.*Hα-helixtrans-64.1-41.8177.1-171.166.6000111.5S784 H789 W790 Q791S784-L787 PolarHBondContact O-N 2.9Å; S784-L787 PolarHBondContact OG-N 2.96Å; S784-L787 VanDerWaalsContact OG-N 3.15Å; L787-H789 PolarHBondContact O-N 3.03Å; L787-W790 PolarHBondContact O-N 2.94Å; L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 PolarHBondContact O-N 3.38Å
788Q76.2Confident67Low69 Ų69108.9 Ų108.932%0.32259%0.589SS.*Hα-helixtrans-61.7-42.1172.8-69-162.33500111.9S784 N785 V786 Q791 H792S784-Q788 PolarHBondContact O-N 3.26Å; N785-Q788 PolarHBondContact O-N 3Å; V786-Q788 PolarHBondContact O-N 3.34Å; Q788-Q791 PolarHBondContact O-N 3.27Å; Q788-H792 WeakPolarHBondContact O-CB 3.47Å; Q788-H792 PolarHBondContact O-CD2 2.92Å; Q788-H792 PolarHBondContact O-N 3.49Å
789H79.2Confident67.5Low118 Ų118107.2 Ų107.255%0.54659%0.585SS.*Hα-helixtrans-61.7-46.7178-172.876.7000111.8N785 V786 L787 Q791 H792 L793N785-H789 WeakPolarHBondContact O-CB 3.39Å; N785-H789 PolarHBondContact O-N 3.06Å; V786-H789 PolarHBondContact O-N 3.06Å; L787-H789 PolarHBondContact O-N 3.03Å; H789-Q791 VanDerWaalsContact C-N 3.34Å; H789-Q791 PolarHBondContact O-N 2.88Å; H789-H792 PolarHBondContact O-N 3.16Å; H789-L793 WeakPolarHBondContact O-CG 3.42Å; H789-L793 PolarHBondContact O-N 2.87Å; H789-L793 VanDerWaalsContact O-N 3.1Å
790W74.5Confident67.5Low174 Ų174104.4 Ų104.466%0.65957%0.57SS**Hα-helixtrans-63-38174-83.288.4000112.4V786 L787 H792 L793 A794V786-W790 VanDerWaalsContact O-CD1 3.31Å; V786-W790 PolarHBondContact O-N 2.95Å; L787-W790 PolarHBondContact O-N 2.94Å; W790-H792 PolarHBondContact O-N 3.16Å; W790-L793 PolarHBondContact O-N 3.36Å; W790-A794 VanDerWaalsContact O-CB 3.25Å; W790-A794 WeakPolarHBondContact O-CB 3.49Å; W790-A794 PolarHBondContact O-N 3.48Å
791Q78.1Confident67.8Low123 Ų123103.8 Ų103.858%0.57557%0.573SS**Hα-helixtrans-65.5-36.1175.2-166.6176.723.500112.6L787 Q788 H789 L793 A794 T795L787-Q791 WeakPolarHBondContact O-CB 3.26Å; L787-Q791 PolarHBondContact O-N 3.38Å; Q788-Q791 PolarHBondContact O-N 3.27Å; H789-Q791 VanDerWaalsContact C-N 3.34Å; H789-Q791 PolarHBondContact O-N 2.88Å; Q791-L793 VanDerWaalsContact C-N 3.3Å; Q791-L793 PolarHBondContact O-N 3.04Å; Q791-A794 PolarHBondContact O-N 3.09Å; Q791-T795 HydrophobicContact CG-CG2 4.49Å; Q791-T795 WeakPolarHBondContact O-CB 3.36Å; Q791-T795 WeakPolarHBondContact O-CG2 3.37Å; Q791-T795 PolarHBondContact O-N 3.37Å; Q791-T795 VanDerWaalsContact O-N 3.13Å; Q791-T795 PolarHBondContact O-OG1 2.83Å
792H74.2Confident68Low97 Ų97103.4 Ų103.445%0.44957%0.571SS.*Hα-helixtrans-72.6-16.4173.2-86.4-73000114.3Q788 H789 W790 R889Q788-H792 WeakPolarHBondContact O-CB 3.47Å; Q788-H792 PolarHBondContact O-CD2 2.92Å; Q788-H792 PolarHBondContact O-N 3.49Å; H789-H792 PolarHBondContact O-N 3.16Å; W790-H792 PolarHBondContact O-N 3.16Å; H792-R889 PolarHBondContact NE2-NH2 2.8Å
793L72.6Confident68.2Low96 Ų96104.2 Ų104.250%0.50357%0.568SS.*Hα-helixtrans-91.9-34.5170.8-68.5172000112.1H789 W790 Q791H789-L793 WeakPolarHBondContact O-CG 3.42Å; H789-L793 PolarHBondContact O-N 2.87Å; H789-L793 VanDerWaalsContact O-N 3.1Å; W790-L793 PolarHBondContact O-N 3.36Å; Q791-L793 VanDerWaalsContact C-N 3.3Å; Q791-L793 PolarHBondContact O-N 3.04Å
794A74.9Confident67.8Low77 Ų77105.9 Ų105.964%0.63656%0.561SS**Hα-helixtrans-87-10-175.700000114.6W790 Q791 P796W790-A794 VanDerWaalsContact O-CB 3.25Å; W790-A794 WeakPolarHBondContact O-CB 3.49Å; W790-A794 PolarHBondContact O-N 3.48Å; Q791-A794 PolarHBondContact O-N 3.09Å; A794-P796 WeakPolarHBondContact O-CD 3.35Å
795T70.2Confident67Low81 Ų81108.3 Ų108.350%0.49758%0.583SS.*SBendtrans-93.6110.6176.5420000111.4Q791 S797Q791-T795 HydrophobicContact CG-CG2 4.49Å; Q791-T795 WeakPolarHBondContact O-CB 3.36Å; Q791-T795 WeakPolarHBondContact O-CG2 3.37Å; Q791-T795 PolarHBondContact O-N 3.37Å; Q791-T795 VanDerWaalsContact O-N 3.13Å; Q791-T795 PolarHBondContact O-OG1 2.83Å; T795-S797 VanDerWaalsContact C-N 3.31Å; T795-S797 PolarHBondContact O-N 2.94Å
796P57.5Low66.1Low129 Ų129106.9 Ų106.984%0.83858%0.581SS**  trans-74.183.7177.630.6-35.1000110.7A794 F798A794-P796 WeakPolarHBondContact O-CD 3.35Å; P796-F798 PolarHBondContact O-N 2.97Å; P796-F798 VanDerWaalsContact O-N 3.17Å
797S57.5Low64.8Low55 Ų55106.5 Ų106.539%0.38558%0.575SS.*  trans-66.7110.6171173.10000110T795 T799 R800 A801T795-S797 VanDerWaalsContact C-N 3.31Å; T795-S797 PolarHBondContact O-N 2.94Å; S797-T799 PolarHBondContact O-N 3.5Å; S797-R800 WeakPolarHBondContact O-CA 3.14Å; S797-R800 WeakPolarHBondContact O-CB 3.31Å; S797-R800 PolarHBondContact O-N 2.75Å; S797-R800 PolarHBondContact OG-N 2.89Å; S797-A801 PolarHBondContact O-N 3.18Å
798F56.7Low64Low165 Ų165108.5 Ų108.572%0.72459%0.594SS**Hα-helixtrans-54.9-37.9176.6-169.2-96.1000112P796 R800 A801 L802P796-F798 PolarHBondContact O-N 2.97Å; P796-F798 VanDerWaalsContact O-N 3.17Å; F798-R800 VanDerWaalsContact C-N 3.35Å; F798-R800 PolarHBondContact O-N 3.12Å; F798-A801 PolarHBondContact O-N 3.28Å; F798-L802 HydrophobicContact CD1-CD1 3.86Å; F798-L802 HydrophobicContact CE1-CD1 3.46Å; F798-L802 VanDerWaalsContact CE1-CD1 3.46Å; F798-L802 HydrophobicContact CZ-CD1 4.04Å; F798-L802 PolarHBondContact O-N 2.77Å
799T61Low63.1Low95 Ų95109.3 Ų109.358%0.58362%0.622SS**Hα-helixtrans-62.5-40.4173.6-40.90000112S797 L802 F803S797-T799 PolarHBondContact O-N 3.5Å; T799-L802 PolarHBondContact O-N 3.39Å; T799-F803 HydrophobicContact CG2-CD2 4.09Å; T799-F803 WeakPolarHBondContact O-CD2 3.3Å; T799-F803 PolarHBondContact O-N 3.5Å
800R56.7Low61.6Low117 Ų117108 Ų10844%0.44262%0.622SS.*Hα-helixtrans-71.1-33.8-179.7-157175.6-164.9-166.3-1.5112.3S797 F798 L802 D804S797-R800 WeakPolarHBondContact O-CA 3.14Å; S797-R800 WeakPolarHBondContact O-CB 3.31Å; S797-R800 PolarHBondContact O-N 2.75Å; S797-R800 PolarHBondContact OG-N 2.89Å; F798-R800 VanDerWaalsContact C-N 3.35Å; F798-R800 PolarHBondContact O-N 3.12Å; R800-L802 PolarHBondContact O-N 2.92Å; R800-D804 HydrophobicContact CG-CB 3.77Å; R800-D804 VanDerWaalsContact CG-OD2 3.32Å; R800-D804 WeakPolarHBondContact CG-OD2 3.41Å; R800-D804 IonicContact NE-OD2 2.91Å; R800-D804 PolarHBondContact NE-OD2 3.21Å; R800-D804 VanDerWaalsContact NE-OD2 3.11Å; R800-D804 PolarHBondContact O-N 2.87Å
801A55.9Low60.3Low89 Ų89108.8 Ų108.874%0.73663%0.633SS**Hα-helixtrans-70-16.3175.900000114.2S797 F798S797-A801 PolarHBondContact O-N 3.18Å; F798-A801 PolarHBondContact O-N 3.28Å
802L55.6Low58.6Low108 Ų108107.3 Ų107.357%0.56564%0.636SS**Hα-helixtrans-106-25.3-178.6-78.1170.2000114.8F798 T799 R800F798-L802 HydrophobicContact CD1-CD1 3.86Å; F798-L802 HydrophobicContact CE1-CD1 3.46Å; F798-L802 VanDerWaalsContact CE1-CD1 3.46Å; F798-L802 HydrophobicContact CZ-CD1 4.04Å; F798-L802 PolarHBondContact O-N 2.77Å; T799-L802 PolarHBondContact O-N 3.39Å; R800-L802 PolarHBondContact O-N 2.92Å
803F63.4Low57.1Low170 Ų170114.8 Ų114.875%0.74666%0.66SS**Hα-helixtrans-127.7-18.3-169-62.8-72.7000115.9T799T799-F803 HydrophobicContact CG2-CD2 4.09Å; T799-F803 WeakPolarHBondContact O-CD2 3.3Å; T799-F803 PolarHBondContact O-N 3.5Å
804D59.4Low55.6Low99 Ų99114.7 Ų114.753%0.52967%0.673SS.*SBendtrans-93.9150.6173.5-96.9-9.8000110.7R800R800-D804 HydrophobicContact CG-CB 3.77Å; R800-D804 VanDerWaalsContact CG-OD2 3.32Å; R800-D804 WeakPolarHBondContact CG-OD2 3.41Å; R800-D804 IonicContact NE-OD2 2.91Å; R800-D804 PolarHBondContact NE-OD2 3.21Å; R800-D804 VanDerWaalsContact NE-OD2 3.11Å; R800-D804 PolarHBondContact O-N 2.87Å
805A57.3Low53.9Low87 Ų87114.8 Ų114.872%0.71968%0.681SS**PPolyproline II helixtrans-60.9149.4176.700000112.2L807A805-L807 PolarHBondContact O-N 3.34Å
806P54.6Low52.5Low102 Ų102117.9 Ų117.966%0.66270%0.7SS**PPolyproline II helixtrans-57.1136.8-175.922.3-33.9000112.5
807L51.7Low51.5Low88 Ų88116.8 Ų116.846%0.46170%0.696SS.*PPolyproline II helixtrans-54.5129.8-177.7-74.4161000111.3A805 G809 V810A805-L807 PolarHBondContact O-N 3.34Å; L807-G809 PolarHBondContact O-N 2.91Å; L807-V810 HydrophobicContact CB-CB 4.21Å; L807-V810 HydrophobicContact CB-CG2 4.17Å; L807-V810 PolarHBondContact O-N 2.93Å
808P57.3Low50.5Low139 Ų139122.2 Ų122.290%0.90372%0.72SS**THydrogen-bonded Turntrans-54.8112.2174.5-26.735.3000111.4
809G57Low49.6Very low87 Ų87119.6 Ų119.690%0.89772%0.723SS**THydrogen-bonded Turntrans104.1-6.3-177.500000116.1L807L807-G809 PolarHBondContact O-N 2.91Å
810V47.1Very low48.7Very low91 Ų91121.7 Ų121.755%0.55274%0.735SS**  trans-116.4112.8177.2-1740000110.6L807L807-V810 HydrophobicContact CB-CB 4.21Å; L807-V810 HydrophobicContact CB-CG2 4.17Å; L807-V810 PolarHBondContact O-N 2.93Å
811Q47.6Very low47.8Very low190 Ų190123.3 Ų123.389%0.88875%0.753SS**  trans-98.997.2-176.7-165.2171.224.300111.2R813Q811-R813 PolarHBondContact O-N 3.02Å; Q811-R813 VanDerWaalsContact O-N 3.17Å
812S43.5Very low47.1Very low91 Ų91125.4 Ų125.464%0.63676%0.756SS**  trans-61113.3178.7-58.70000111.9A814S812-A814 PolarHBondContact O-N 3.18Å
813R41.5Very low46.3Very low254 Ų254127.1 Ų127.196%0.95877%0.766SS**SBendtrans-82.347.3-177.6-163.9-178.3168.7-173-4.7112.7Q811Q811-R813 PolarHBondContact O-N 3.02Å; Q811-R813 VanDerWaalsContact O-N 3.17Å
814A42.1Very low44.8Very low94 Ų94125.2 Ų125.278%0.77777%0.772SS**  trans-151.9117.6174.500000109.8S812S812-A814 PolarHBondContact O-N 3.18Å
815G38.9Very low43.6Very low79 Ų79127.4 Ų127.481%0.81478%0.783SS**  trans150.7121.7-176.600000110.8
816V39.3Very low42.3Very low147 Ų147129.1 Ų129.189%0.89179%0.785SS**  trans-77.4149.3178.4176.10000109.7D818V816-D818 PolarHBondContact O-N 3.11Å
817S37.1Very low41.2Very low106 Ų106132.3 Ų132.374%0.74179%0.793SS**  trans-73.5116.1-178.954.10000112.9
818D36.8Very low40.5Very low168 Ų168132.5 Ų132.590%0.89881%0.808SS**  trans-105.3130.5155.5-94.5-43.6000109.6V816V816-D818 PolarHBondContact O-N 3.11Å
819S38.7Very low39.3Very low111 Ų111131 Ų13178%0.77680%0.801SS**  trans-125.591.5-170.356.40000112.5
820T41.7Very low38.3Very low138 Ų138131.3 Ų131.385%0.84779%0.794SS**  trans-138.8145.8170.1430000112.2
821N38.6Very low38Very low151 Ų151133.9 Ų133.981%0.80781%0.81SS**  trans-72.3132.4-171.7-58.3-78.2000114.1
822T39.5Very low37.3Very low133 Ų133131.7 Ų131.782%0.81681%0.805SS**  trans-143.6103.2139.842.80000110.4
823N39.2Very low36.9Very low144 Ų144130.8 Ų130.877%0.7780%0.799SS**  trans-82.8112.8169.5-80.2-37.8000109.8
824C32.9Very low36.7Very low130 Ų130129.5 Ų129.588%0.87879%0.794SS**  trans-90.698.2163.3-73.60000109.7
825L33.1Very low36.5Very low145 Ų145134.1 Ų134.176%0.75980%0.799SS**  trans-125.5173.6172.3-85171.4000109.6
826T31Very low36.4Very low124 Ų124141.2 Ų141.276%0.76180%0.801SS**  trans82.6126.4-171.5-36.50000110.2
827M30.5Very low36.3Very low169 Ų169139.8 Ų139.883%0.83380%0.795SS**  cis-102117.933.8-67-71.8-77.400116.3
828A37.7Very low36.3Very low92 Ų92140.5 Ų140.576%0.7680%0.795SS**  trans-144.688.815500000107.7A830A828-A830 PolarHBondContact O-N 3.48Å
829S32.4Very low36.2Very low108 Ų108137.7 Ų137.776%0.75579%0.788SS**  trans-79.998.8-174.452.50000111.3
830A36.4Very low35.8Very low92 Ų92139.4 Ų139.476%0.7679%0.794SS**  trans-82.9140.4176.400000112.5A828A828-A830 PolarHBondContact O-N 3.48Å
831T39.8Very low35.4Very low145 Ų145136.5 Ų136.589%0.8979%0.791SS**  trans-138.577.5162.556.90000111.6
832D32.4Very low35.3Very low145 Ų145135 Ų13578%0.77579%0.793SS**SBendtrans-146.4145.6133.1-163.12.4000110.7
833S36.5Very low34.8Very low72 Ų72134.4 Ų134.450%0.50379%0.794SS.*  trans60.783.3154.9-75.30000121.2
834R36.4Very low34.7Very low227 Ų227133.3 Ų133.386%0.85780%0.795SS**  92141.8119-69.2153.9-168.3-95.8-2.6119.7
835Q38.4Very low34.4Very low190 Ų190132.3 Ų132.389%0.88879%0.788SS**  trans83.190.9162.1-68.6172.4-0.300119.8
836R35.9Very low34.3Very low228 Ų228132.7 Ų132.786%0.8679%0.789SS**  trans-41.2175.3142.9-79.6177.4173171.5-3.7114.3V838R836-V838 HydrophobicContact CG-CG2 4.45Å
837P37.6Very low34.3Very low117 Ų117131 Ų13176%0.7678%0.782SS**  cis-121.41635.611.515.2000113.9
838V36.1Very low34.3Very low122 Ų122130.5 Ų130.574%0.73978%0.783SS**  cis83.1134.848.7-179.30000115.1R836R836-V838 HydrophobicContact CG-CG2 4.45Å
839S34.7Very low34Very low108 Ų108131.2 Ų131.276%0.75578%0.782SS**  trans107.7119.9160.1-79.40000121
840V31.8Very low34.1Very low147 Ų147131.3 Ų131.389%0.89178%0.783SS**  trans-16.2148.4150.4-71.70000119.3
841G32.9Very low33.9Very low77 Ų77135.4 Ų135.479%0.79479%0.786SS**  trans-173.2121.716500000114.3
842S36Very low33.6Very low121 Ų121134.3 Ų134.385%0.84678%0.78SS**  trans-46.6162178-46.30000118
843S29.8Very low33.6Very low119 Ų119133 Ų13383%0.83278%0.779SS**  trans-54.1158.3165-38.50000113.2
844P36.9Very low33.6Very low122 Ų122136.9 Ų136.979%0.79279%0.793SS**  -128.9151.912437.3-31.5000113.5
845C26.5Very low33.1Very low109 Ų109135 Ų13574%0.73679%0.791SS**  trans-88.5-154.5158.952.40000109.5
846I30.9Very low32.7Very low152 Ų152131.8 Ų131.878%0.77979%0.788SS**  trans79.8130.2174.4-58167.2000113.5
847S30.3Very low32.6Very low88 Ų88125.5 Ų125.562%0.61578%0.779SS**  cis-168-177.7-11.9-1030000111.4
848N30.5Very low32.1Very low159 Ų159125 Ų12585%0.8578%0.779SS**  trans83.3145.9165.8-52.3-20.5000114.7
849S31.5Very low32Very low107 Ų107126.9 Ų126.975%0.74878%0.784SS**  cis171.3147.6-16-166.10000102.6
850S34.2Very low31.8Very low110 Ų110128 Ų12877%0.76979%0.786SS**  cis-142.5160.723.1-56.10000112.1
851Q32.2Very low32Very low178 Ų178124.5 Ų124.583%0.83277%0.772SS**  trans-75.8145.5165.9-55.2156.9-15.400110.5
852V34.5Very low32.2Very low123 Ų123129 Ų12975%0.74577%0.773SS**  trans-153.1119.2133.5-176.70000109.7L854V852-L854 HydrophobicContact CG1-CB 4.42Å; V852-L854 HydrophobicContact CG1-CD1 4.02Å; V852-L854 HydrophobicContact CG1-CG 4Å
853P32.9Very low32.3Very low118 Ų118128.2 Ų128.277%0.76677%0.767SS**  trans-118.9100.5162.233.9-20.8000111.6
854L35.4Very low33Very low152 Ų152128.3 Ų128.380%0.79677%0.765SS**  trans-139.2126.1172.3-60.9171.2000106.3V852V852-L854 HydrophobicContact CG1-CB 4.42Å; V852-L854 HydrophobicContact CG1-CD1 4.02Å; V852-L854 HydrophobicContact CG1-CG 4Å
855K25.5Very low33.1Very low188 Ų188127.8 Ų127.882%0.81776%0.764SS**  cis70.881.840.3-161.1174-177.6175.70114.7
856C31.2Very low33.6Very low123 Ų123128.6 Ų128.683%0.83176%0.761SS**  trans-124.7123.8143-73.50000106
857S33.5Very low34.1Very low95 Ų95128.3 Ų128.366%0.66476%0.76SS**  67.593.969.3-54.60000110.7
858S26.1Very low34.5Very low107 Ų107128.8 Ų128.875%0.74876%0.761SS**  80.291.456.480.30000115.2
859L34.2Very low34.7Very low162 Ų162130.3 Ų130.385%0.84876%0.763SS**  trans-146.1130.2148.3-73.2179000105.7
860T31Very low35.1Very low130 Ų130129.2 Ų129.280%0.79877%0.769SS**  72.2119.452.3-53.50000110.8
861A35.3Very low34.9Very low74 Ų74132.8 Ų132.861%0.61277%0.773SS**  cis-147.3-165.9-7.500000107.9
862H38.9Very low35.2Very low172 Ų172129.2 Ų129.280%0.79677%0.765SS**  cis-146.1150.110.2-100.9-57.5000107.7
863S36.3Very low35.2Very low104 Ų104130.4 Ų130.473%0.72777%0.767SS**  80.5138.169-52.70000115.6
864P44.4Very low34.9Very low122 Ų122132.4 Ų132.479%0.79277%0.769SS**  trans-134.3-178.9-146.443-25.1000116.5
865S39.1Very low34.7Very low110 Ų110135.9 Ų135.977%0.76977%0.771SS**  trans-166.4154.4159.7-95.80000110.5
866D38Very low35.2Very low126 Ų126135.6 Ų135.667%0.67478%0.778SS**  cis-167.5173.3-23.4-124.3-55.4000114.7
867L40.9Very low35.3Very low146 Ų146134.9 Ų134.976%0.76477%0.769SS**  trans68.9151.5157.6-96.968.7000120
868P39.4Very low35.1Very low98 Ų98138.7 Ų138.764%0.63678%0.776SS**  -152.4-163.6-109.546.1-24.4000118.6
869H35.4Very low35.4Very low192 Ų192142.1 Ų142.189%0.88978%0.78SS**  trans84.2121.7155-82.848.5000119.7
870G39.2Very low35.5Very low84 Ų84139.2 Ų139.287%0.86677%0.774SS**  trans160.350.7175.200000116.6
871Q30Very low35.5Very low184 Ų184140.4 Ų140.486%0.8678%0.775SS**  trans-126.6171.7176.3-106.5-159.7-10.300110.4
872P38.1Very low35.2Very low103 Ų103143.6 Ų143.667%0.66978%0.777SS**  cis-110.5-136.62.826.1-1.9000110.3
873N34.3Very low34.9Very low148 Ų148143.4 Ų143.479%0.79177%0.774SS**  cis-159.1-172.48.3-151.6-16.2000112.5
874M27Very low34.6Very low161 Ų161144 Ų14479%0.79378%0.777SS**  trans-115.8171.3-165-72.5-100.1-74.200115.1
875R31.8Very low34.1Very low225 Ų225143.8 Ų143.885%0.84977%0.773SS**  trans94.7113.2159.3-59.2177.9173.9141.4-1.7117.8V877R875-V877 HydrophobicContact CB-CG2 4.39Å
876L34.6Very low33.7Very low182 Ų182145.5 Ų145.595%0.95377%0.774SS**  trans-112.6137.5138.3-167.173.4000107.6
877V34.3Very low33.3Very low107 Ų107147.9 Ų147.965%0.64879%0.785SS**  trans-124.8120.3-174.2169.10000108.7R875R875-V877 HydrophobicContact CB-CG2 4.39Å
878Q28Very low32.9Very low176 Ų176148.3 Ų148.382%0.82279%0.788SS**  trans23.9119.8139.6175.1-169.3-22.700118.3
879E34.3Very low32.4Very low178 Ų178151.4 Ų151.483%0.83279%0.788SS**  trans-154.3143137.6-121.2-179173.100112.7
880S35.8Very low32.2Very low102 Ų102151.3 Ų151.371%0.71379%0.785SS**  trans43.5134.9146.5-61.80000122
881L29.9Very low31.7Very low155 Ų155150.2 Ų150.281%0.81277%0.773SS**  cis-159.5157.5-3.8-179.359.7000110.1
882E30.2Very low31.8Very low141 Ų141151.1 Ų151.166%0.65978%0.775SS**  trans-66.7142.1179.3-35.9161.9127.900113.7
883K32.6Very low31.3Very low168 Ų168151.8 Ų151.873%0.7378%0.782SS**  165.7169.7113.6-90.9149.5179109.70113.4
884C30.2Very low30.9Very low116 Ų116149.9 Ų149.978%0.78478%0.78SS**  trans70.770.1169.2-60.60000117.9
885T34Very low30.8Very low118 Ų118147.2 Ų147.272%0.72478%0.777SS**  22.5147.5120.857.70000121.1
886N30.4Very low30.6Very low146 Ų146143.4 Ų143.478%0.78178%0.779SS**  trans93.470163.8-50.7-48.2000116.7N888N886-N888 PolarHBondContact O-N 2.82Å
887L29Very low30.2Very low175 Ų175139.6 Ų139.692%0.91677%0.767SS**  trans-66.8115.4144.7-7784.4000108.2
888N33.2Very low30Very low155 Ų155143.9 Ų143.983%0.82978%0.777SS**  trans-157.6139.3157.9-125.2-48.1000112.4N886N886-N888 PolarHBondContact O-N 2.82Å
889R28.5Very low30.3Very low164 Ų164144.1 Ų144.162%0.61978%0.783SS**  trans5582.3168.8-161176.2-65-148.65.1116.8H792H792-R889 PolarHBondContact NE2-NH2 2.8Å
890F29.9Very low30.1Very low190 Ų190142.4 Ų142.483%0.83378%0.779SS**  trans-56.7134.6151.5-97.5-91000110
891G29.3Very low30.1Very low60 Ų60145.5 Ų145.562%0.61979%0.788SS**  trans-102.7146.4157.900000109.5
892F31.5Very low30.2Very low204 Ų204141.5 Ų141.590%0.89578%0.784SS**  trans-98.390.8175.7-80.6-75.3000111.1
893S29.4Very low30.4Very low117 Ų117143.7 Ų143.782%0.81880%0.799SS**  trans-90.9165.3157.450.20000110.7
894S24Very low30.4Very low108 Ų108146.1 Ų146.176%0.75580%0.804SS**SBendtrans-72.6160.7-163.4-167.60000116
895S25.1Very low30.7Very low104 Ų104147.4 Ų147.473%0.72781%0.809SS**  trans78.696.5150-53.50000119.2
896T28.7Very low30.6Very low145 Ų145152.4 Ų152.489%0.8981%0.814SS**  trans-138.1105.214951.60000111.2
897C25.9Very low30.9Very low103 Ų103150.7 Ų150.770%0.69681%0.813SS**  trans-98.8179.2146.858.50000108.5
898F29.6Very low31.2Very low196 Ų196149.6 Ų149.686%0.8681%0.808SS**  trans68.399.9-167.1-50.5-78.3000115.1
899L34.9Very low31.1Very low181 Ų181149.8 Ų149.895%0.94881%0.809SS**  -149.6142.4106.7-99174.9000108.1
900N29.2Very low31.6Very low142 Ų142150.8 Ų150.876%0.75982%0.82SS**  trans-145.4121.2-173.4-174.88.1000109.9
901N35.8Very low31.8Very low168 Ų168150.1 Ų150.190%0.89882%0.824SS**  trans-170.8128.1153.2-97.9-31.8000108.5
902G33Very low31.9Very low71 Ų71154.3 Ų154.373%0.73284%0.837SS**  trans-100169.3-171.900000114.8
903L34.9Very low32.1Very low186 Ų186149.6 Ų149.697%0.97484%0.836SS**  trans-111.7143159.4-74.2172.5000109.3
904R32.6Very low32.2Very low220 Ų220147.3 Ų147.383%0.8383%0.831SS**  trans-94.2137.3178.4-74.4175.4164.3-170.3-2.8110.8
905T35.3Very low32.6Very low143 Ų143148 Ų14888%0.87784%0.836SS**  trans-129.1155.3146.946.40000109
906R33.2Very low32.9Very low222 Ų222148.9 Ų148.984%0.83884%0.842SS**  trans-139.9156.3-178.8-85.4-173.9163.8-150.5-5.9109.3
907S36Very low33Very low110 Ų110147.7 Ų147.777%0.76984%0.84SS**  trans103.7114.8166.2-1670000114.3
908L34.5Very low33.2Very low153 Ų153147.7 Ų147.780%0.80184%0.841SS**  18090.187.5-172.480.8000111.2
909D31.4Very low33.2Very low158 Ų158143.5 Ų143.585%0.84584%0.836SS**  trans-118.6104.8175.8-74.2-64.1000111.8
910H38.8Very low33.1Very low186 Ų186145 Ų14586%0.86183%0.83SS**  trans-154.7143.2164.1-90.1-79.4000108.1
911L34.1Very low33.1Very low176 Ų176145.3 Ų145.392%0.92183%0.832SS**  trans70103.3-168.9-49.1163.5000111.4
912V32.9Very low33Very low147 Ų147143.1 Ų143.189%0.89182%0.82SS**  -146.7137.767.41560000111
913A34Very low33.1Very low105 Ų105146.9 Ų146.987%0.86882%0.817SS**  trans-138128.3165.700000108.3
914G31.8Very low33.2Very low69 Ų69145.9 Ų145.971%0.71181%0.813SS**  trans154.160.1-176.200000115.4
915S33.3Very low33.3Very low124 Ų124139.9 Ų139.987%0.86780%0.804SS**  trans-15895.2165-79.40000109.2S917S915-S917 PolarHBondContact O-N 3.01Å
916S31.3Very low33.3Very low122 Ų122140.1 Ų140.185%0.85380%0.8SS**  trans-85.4105.6-170-560000112.2S918S916-S918 PolarHBondContact O-N 2.79Å
917S31.4Very low33.1Very low120 Ų120136.2 Ų136.284%0.83980%0.796SS**  trans-75.697.7165.8570000110.3S915 S919S915-S917 PolarHBondContact O-N 3.01Å; S917-S919 PolarHBondContact O-N 3.21Å; S917-S919 VanDerWaalsContact O-N 3.13Å
918S29.8Very low33.1Very low103 Ų103140.7 Ų140.772%0.7280%0.801SS**  trans-71.2103.5177.2175.80000111.3S916S916-S918 PolarHBondContact O-N 2.79Å
919S28.1Very low32.7Very low108 Ų108143.1 Ų143.176%0.75581%0.806SS**  trans-110.3118.3163.6-172.90000108.5S917S917-S919 PolarHBondContact O-N 3.21Å; S917-S919 VanDerWaalsContact O-N 3.13Å
920Y33.3Very low32.8Very low211 Ų211143.2 Ų143.283%0.82781%0.805SS**  trans-118.7116.3-179.7-110.7-80.2000110
921N28.9Very low32.2Very low149 Ų149141.7 Ų141.780%0.79780%0.798SS**  trans-124.8133.2155.3-75.7-48.6000105.8
922D34.1Very low32Very low122 Ų122142.6 Ų142.665%0.65280%0.795SS**  -164179.789.8-149.5-5000111.2
923K34.7Very low31.7Very low150 Ų150141.8 Ų141.865%0.65279%0.786SS**  trans-66.4153.7-172.3-38.5106.9-167.9139.80113.3
924D37.9Very low31.5Very low166 Ų166145.8 Ų145.889%0.88879%0.786SS**  -145.8148.4121.6-138.8-23.8000110.7
925S33.4Very low31.6Very low93 Ų93147.5 Ų147.565%0.6579%0.785SS**  trans-134.2122.2-167.164.10000113.3
926N36.1Very low31.6Very low149 Ų149151.1 Ų151.180%0.79779%0.785SS**  trans-164.4115.1154.6-109.1-55.4000115.6
927N30.2Very low31.4Very low139 Ų139152.3 Ų152.374%0.74378%0.782SS**  trans26.6104.2140-65.6-61.3000120.4
928K35.7Very low31.6Very low204 Ų204155.3 Ų155.389%0.88778%0.783SS**  -177.7141.5100.4-100170.2-1781760114.1
929F25.1Very low31.9Very low205 Ų205154.8 Ų154.890%0.89978%0.784SS**  trans-66.9128.6160.8-88.4-115.4000110.6
930I33.4Very low32Very low159 Ų159158.2 Ų158.282%0.81579%0.785SS**  trans-136.4131.4134.9-66.5-169.6000107.9F932I930-F932 HydrophobicContact CG2-CD2 4.44Å
931Q26.4Very low32.2Very low154 Ų154153.9 Ų153.972%0.7279%0.786SS**  trans-93.5132.5177.9168.8-171.60.800109.5
932F29.8Very low32.5Very low196 Ų196152.8 Ų152.886%0.8678%0.78SS**  trans-145.9136.4159.4-111.8-79.1000111.9I930I930-F932 HydrophobicContact CG2-CD2 4.44Å
933N26.7Very low32.5Very low130 Ų130155.4 Ų155.470%0.69579%0.788SS**  trans-112.1170.4177.8-86.2-28.5000110.5
934Q30.8Very low32.5Very low189 Ų189152.5 Ų152.588%0.88379%0.787SS**  trans93.7148158.8-62.6-161.1-57.100119.2
935P33.9Very low32.3Very low104 Ų104149 Ų14968%0.67578%0.781SS**  trans-111.5-172.6-167.243.9-32.9000112.8
936F32.2Very low32.6Very low200 Ų200150.7 Ų150.788%0.87779%0.793SS**  trans-136.8126.5164.2-93.5-88.1000111.8
937D27.5Very low32.3Very low148 Ų148148.1 Ų148.179%0.79179%0.787SS**  trans-74.6160.4161.1-71.4-71.4000111.1
938H35.3Very low32.4Very low183 Ų183146.2 Ų146.285%0.84779%0.785SS**  trans-165.2133.9132.8-105.3-59.2000115.6
939A36.3Very low32.2Very low91 Ų91145.8 Ų145.875%0.75278%0.779SS**  trans68.799.214100000121.4
940K30.1Very low32.4Very low180 Ų180142.7 Ų142.778%0.78377%0.771SS**  trans-30.5152.5152.1-59.5177.5166.5-161.70117.6
941S36.9Very low32.2Very low120 Ų120139.3 Ų139.384%0.83976%0.757SS**  -147.1152.6119.844.70000110.2
942D36.4Very low32.4Very low127 Ų127137.5 Ų137.568%0.67976%0.762SS**  trans-97.1151.1-170.5-47.7-94.8000112
943E34.1Very low32.5Very low176 Ų176137.3 Ų137.382%0.82276%0.761SS**  -172.9148.4106-108.8-14883.900117.8
944S33.8Very low32.7Very low89 Ų89135.8 Ų135.862%0.62276%0.761SS**  trans21.8121.9153.953.70000124.8
945A34.4Very low32.6Very low93 Ų93133.9 Ų133.977%0.76976%0.756SS**  76.594.8127.800000122.3
946S38.6Very low32.6Very low128 Ų128135 Ų13590%0.89576%0.761SS**  -157.3125.8115.1-82.40000112.7
947S30.6Very low32.6Very low95 Ų95131.1 Ų131.166%0.66476%0.759SS**  trans-75.9160.7177.1-161.60000111
948S33.3Very low32.9Very low100 Ų100131.9 Ų131.970%0.69976%0.762SS**  cis-152.9132.77.4-14.10000107.5
949Y30.9Very low32.8Very low195 Ų195129.6 Ų129.677%0.76576%0.76SS**  79.194.272.4-62.6-49.6000117.3
950L29.4Very low32.6Very low140 Ų140130.9 Ų130.973%0.73376%0.764SS**  80.9143.4114.5-70.8170000123.7
951T29.1Very low32.9Very low87 Ų87126.2 Ų126.253%0.53476%0.759SS.*  trans72.4109.1141460000121.8
952S29.7Very low32.8Very low116 Ų116128.9 Ų128.981%0.81176%0.763SS**  -22.5133127.251.90000115.7
953F32.5Very low32.8Very low193 Ų193130.9 Ų130.985%0.84677%0.773SS**  trans-124.4157.2166.8-94.1-89.5000111.7
954S30.8Very low32.9Very low98 Ų98127.6 Ų127.669%0.68577%0.767SS**  trans-131.2143.8-175.1-171.60000110.9
955L29.7Very low33Very low148 Ų148132.4 Ų132.478%0.77578%0.777SS**  trans62.5141.1162.9-70168.6000121
956T32.2Very low32.8Very low128 Ų128133.2 Ų133.279%0.78577%0.772SS**  trans50.593.414655.80000120.1
957S32.6Very low32.4Very low119 Ų119132.8 Ų132.883%0.83276%0.764SS**  -167.299.2129.2-172.20000111.9
958L34.9Very low32.3Very low163 Ų163134.2 Ų134.285%0.85377%0.769SS**  trans-173.278.2152.9-110.5165.5000111.7
959V31.6Very low32.3Very low136 Ų136135.7 Ų135.782%0.82477%0.773SS**  trans-116.9148.8159.6177.40000106.8
960S33.3Very low32.3Very low117 Ų117134.1 Ų134.182%0.81878%0.778SS**  trans79.376.6178.1-50.40000117.1
961A35.9Very low32.6Very low83 Ų83132.5 Ų132.569%0.68678%0.776SS**  trans-146.7104.3153.600000112.6
962L35.2Very low32.9Very low175 Ų175132.6 Ų132.692%0.91678%0.78SS**  trans64.9103.7154.5-53.3176.9000119.4
963L36.2Very low33.1Very low170 Ų170132.3 Ų132.389%0.8978%0.777SS**  trans-77.6170.7163-110.272.4000112.2
964P35.9Very low33.1Very low107 Ų107129.1 Ų129.170%0.69577%0.773SS**  trans-96.8156.3-154.937.3-38.5000116.3
965F36.2Very low33.2Very low190 Ų190129 Ų12983%0.83377%0.773SS**  trans-143.3110.5166.1-83.2-76.3000114.6
966T30.8Very low33.1Very low110 Ų110126.8 Ų126.868%0.67577%0.77SS**  trans57.2133.6130.558.40000124.2
967T29Very low33.2Very low118 Ų118130.4 Ų130.472%0.72478%0.775SS**  trans78111.8134.349.90000123.2
968T29.1Very low33Very low126 Ų126131.2 Ų131.277%0.77377%0.77SS**  74.9117.9123.6-45.40000120.3
969V33.9Very low33.1Very low130 Ų130128.7 Ų128.779%0.78876%0.764SS**  -179.1133.7110.9154.70000109.1
970L30.1Very low33.3Very low163 Ų163131.4 Ų131.485%0.85376%0.764SS**  trans-108.9140.2169.8-167.689000108.9
971P36.1Very low33.1Very low106 Ų106129.5 Ų129.569%0.68876%0.763SS**  -149.7168.7119.635-18.3000113.6
972S34.5Very low33Very low89 Ų89131.9 Ų131.962%0.62277%0.769SS**  cis-177.6152.7-24.8570000110
973S33.9Very low32.7Very low109 Ų109129.6 Ų129.676%0.76276%0.762SS**  trans66.1156.9163.271.40000117.1
974V33.8Very low32.7Very low126 Ų126127.9 Ų127.976%0.76475%0.753SS**  cis-14015019.8-145.10000112.9
975S32.3Very low32.5Very low97 Ų97129.7 Ų129.768%0.67876%0.757SS**  trans26.3116.9155.956.20000120.4
976S28.5Very low32.5Very low101 Ų101128.3 Ų128.371%0.70676%0.758SS**  72.8115.361.81780000115.5
977F32.9Very low32.5Very low203 Ų203132.3 Ų132.389%0.8977%0.766SS**  -174.2118.2127-102.7-66.7000113
978D27.9Very low32.7Very low136 Ų136134.7 Ų134.773%0.72777%0.773SS**  trans-74.6158.6151.2-123.4-43.5000108.1
979P38.8Very low32.8Very low111 Ų111133.6 Ų133.672%0.72177%0.766SS**  -156.7165.15942-20.5000119.5
980K34.5Very low32.8Very low192 Ų192135.8 Ų135.884%0.83577%0.765SS**  trans11.3108.2139.2-58.3174.1-177173.70119.7
981G29Very low32.9Very low78 Ų78134 Ų13480%0.80476%0.762SS**  63107.7122.500000121.5
982V34.5Very low32.8Very low133 Ų133137.2 Ų137.281%0.80677%0.765SS**  trans-137.8138.2160.1177.50000110.4I984V982-I984 HydrophobicContact CG1-CG1 4.3Å
983T28.6Very low32.7Very low126 Ų126137.9 Ų137.977%0.77377%0.765SS**  trans-84.9127.6174.2-53.10000111.4
984I36.5Very low32.7Very low135 Ų135140 Ų14069%0.69276%0.763SS**  trans-134121.9167.9-58.8-176.8000110.7V982V982-I984 HydrophobicContact CG1-CG1 4.3Å
985N32Very low32.8Very low145 Ų145142.2 Ų142.278%0.77577%0.765SS**  trans-90.6117169.7-69.4-60.1000109.9K987N985-K987 PolarHBondContact O-N 2.97Å
986N35.3Very low32.9Very low160 Ų160140.9 Ų140.986%0.85677%0.766SS**  trans-91.780.4172.4-86.5-8.3000112.2
987K30.3Very low33.1Very low195 Ų195145.7 Ų145.785%0.84878%0.778SS**  trans-121.487.4160.8-177.1-174.2179.8177.70108.8N985N985-K987 PolarHBondContact O-N 2.97Å
988L33.5Very low33Very low167 Ų167141.4 Ų141.487%0.87477%0.772SS**  trans-131115.1169.2-167.856.3000112
989T31.4Very low33.3Very low103 Ų103141.4 Ų141.463%0.63278%0.778SS**  trans-81.9150.1169.748.70000110.4
990K34.6Very low32.9Very low176 Ų176144.1 Ų144.177%0.76578%0.78SS**  163.5133.3119.4-90165.1-177.4178.10112.8
991T32.6Very low32.9Very low127 Ų127141.8 Ų141.878%0.77978%0.775SS**  trans40.9144.9135.172.60000119.9
992K33.2Very low32.9Very low172 Ų172149 Ų14975%0.74878%0.779SS**  cis-177.3148.941.9-161-163.9175.7-173.20110.7
993T32.3Very low32.7Very low104 Ų104147.5 Ų147.564%0.63877%0.774SS**  trans61.5155.6158.634.10000116.7
994Q34.7Very low32.9Very low153 Ų153151.5 Ų151.572%0.71578%0.781SS**  cis-150.5-168.7-5.5-135.1164.9-37.700110.3
995H34.6Very low32.4Very low173 Ų173150.6 Ų150.680%0.80179%0.785SS**  trans-25.1154.9172.9-54.2-80000118.2
996G34.5Very low32.8Very low68 Ų68149.2 Ų149.270%0.70178%0.784SS**  cis153.6171.22.400000112
997E33.4Very low32.7Very low203 Ų203146.3 Ų146.395%0.94978%0.776SS**  trans61.5133.1170.2-64.2-172120.400120.8
998S30Very low32.9Very low112 Ų112142.6 Ų142.678%0.78378%0.775SS**  trans-67.5147.5175.2172.90000113.1
999T35.1Very low33Very low136 Ų136139.6 Ų139.683%0.83477%0.768SS**  trans-161.31451345.20000115.1
1000H31.2Very low33.2Very low168 Ų168140 Ų14078%0.77878%0.775SS**  trans-14.1163.6148.9-98.5-81.3000121.5
1001I32.9Very low33.2Very low143 Ų143137.8 Ų137.873%0.73378%0.776SS**  trans87.9108.9148.4-72.6155.7000118.6
1002R30.7Very low33.2Very low230 Ų230136.1 Ų136.187%0.86878%0.775SS**  52.7139.3121.7-158.4-178.1-174.1174.53.7120.8
1003S29.8Very low33.4Very low102 Ų102132.2 Ų132.271%0.71378%0.775SS**  trans-48.3152.9173.651.60000117.8
1004K31.8Very low33.7Very low210 Ų210134 Ų13491%0.91379%0.786SS**  trans-158.8151.2148.1-114.1169.1-173.8178.40112.7
1005C26.7Very low33.7Very low115 Ų115130.6 Ų130.678%0.77779%0.792SS**  trans-97.3162.5175.9-41.90000111.2
1006P40.5Very low33.9Very low116 Ų116130 Ų13075%0.75379%0.794SS**  trans-78.5160.3147.335.4-31.9000110.3
1007S33.5Very low34Very low100 Ų100135.3 Ų135.370%0.69980%0.8SS**  cis172.6149.8-37.845.90000107.1
1008S34.9Very low34.1Very low117 Ų117128.8 Ų128.882%0.81879%0.788SS**  trans69.8144.6-178.379.10000115.5
1009S35.2Very low34.4Very low104 Ų104131 Ų13173%0.72779%0.79SS**  cis-171.4149.3-16.846.60000111.5
1010S34.5Very low34.6Very low111 Ų111131.2 Ų131.278%0.77679%0.785SS**  trans58.2135.7145.9175.10000119.5
1011T36Very low34.9Very low129 Ų129129.7 Ų129.779%0.79178%0.783SS**  cis-160.7163.1-5.6-82.50000107.2
1012A31.7Very low35.2Very low92 Ų92128.8 Ų128.876%0.7678%0.784SS**  trans-83.6157.3-177.400000114.4
1013A37.9Very low35.4Very low91 Ų91124.5 Ų124.575%0.75278%0.778SS**  trans162.1119.613200000114
1014T38.1Very low35.7Very low142 Ų142127.3 Ų127.387%0.87178%0.777SS**  trans2.1134.5145.154.90000121
1015G34.5Very low35.9Very low81 Ų81124 Ų12484%0.83577%0.765SS**  trans179.1120.8159.800000115.3
1016L38.2Very low36.3Very low160 Ų160128.2 Ų128.284%0.83877%0.766SS**  trans-78.2160.3-177.3-72.1159.9000114.9
1017Q37.1Very low35.9Very low179 Ų179128 Ų12884%0.83677%0.768SS**  trans69.6132.1148.9-120.470.56.600121.4
1018G36.5Very low36Very low67 Ų67130.7 Ų130.769%0.69177%0.774SS**  trans148.290.4143.900000120.7
1019L35.7Very low35.8Very low157 Ų157129 Ų12982%0.82276%0.762SS**  trans62.3121.7140.9-87.266.5000123.8
1020L38.8Very low35.6Very low141 Ų141128.7 Ų128.774%0.73876%0.76SS**  trans83118134.7-61.5174000123
1021D37.9Very low35.6Very low137 Ų137132.4 Ų132.473%0.73376%0.762SS**  trans42.2129.3136.9-57.3-19.6000120.3
1022V38.4Very low35.4Very low124 Ų124130.8 Ų130.875%0.75276%0.756SS**  -15113862.41570000112.7
1023N35.8Very low35.3Very low139 Ų139133.6 Ų133.674%0.74376%0.758SS**  trans16.6139147.7-53.4-44000119.7
1024K35Very low35.2Very low161 Ų161136.7 Ų136.770%0.776%0.761SS**  cis-162.5146.418.2-158.2160.6166.1169.50112.5
1025E36.5Very low34.9Very low141 Ų141134.7 Ų134.766%0.65974%0.742SS**  trans24.2133.1150-57.6167.1177.400120.3
1026Y34.7Very low34.7Very low204 Ų204142 Ų14280%0.874%0.744SS**  cis-155.4145.6-9.7-117-64.2000108.3
1027S33.8Very low34.4Very low111 Ų111139.9 Ų139.978%0.77674%0.738SS**  trans-157.1124.2168.9-72.60000109.5
1028D34.1Very low34.1Very low156 Ų156137 Ų13783%0.83474%0.738SS**  trans-162.7153.6161.3-99.6-37.2000108.4
1029S32Very low34Very low81 Ų81140 Ų14057%0.56674%0.743SS**  cis144.6116.1-21.9-178.60000108.3
1030S30.6Very low33.7Very low99 Ų99138.1 Ų138.169%0.69274%0.743SS**  trans46109.6143.2-440000120
1031K34.3Very low33.6Very low189 Ų189139.6 Ų139.682%0.82274%0.743SS**  trans179.4121.5130.6-83.6131.1-146.9132.30106.8
1032S31Very low33.2Very low95 Ų95137.8 Ų137.866%0.66474%0.741SS**  70.2134.853.582.40000114.4
1033L30.2Very low33.3Very low151 Ų151137.7 Ų137.779%0.79174%0.735SS**  trans71.6108.6171.9-67.7151.6000117.8
1034L35.7Very low33.1Very low156 Ų156137.8 Ų137.882%0.81774%0.735SS**  160.6104.7120.9-83.4173.2000108.5
1035H31.6Very low33.2Very low100 Ų100141.5 Ų141.546%0.46375%0.745SS.*  47.990.878.3-75.1-29.1000116K268K268-H1035 PolarHBondContact NZ-CD2 2.83Å; K268-H1035 VanDerWaalsContact NZ-CD2 3.34Å; K268-H1035 PolarHBondContact NZ-CE1 3.28Å; K268-H1035 VanDerWaalsContact NZ-CE1 3.32Å; K268-H1035 PolarHBondContact NZ-NE2 3.03Å
1036R31.5Very low32.9Very low234 Ų234140.3 Ų140.388%0.88375%0.752SS**  177.6110.1127.1-96.3-177.5161.5176.2-5108.3
1037T31.8Very low32.9Very low116 Ų116134.8 Ų134.871%0.71275%0.749SS**  54.6101.283.468.80000114.9
1038S30.3Very low33Very low119 Ų119137.9 Ų137.983%0.83276%0.756SS**  trans29110.7133.7-42.70000119
1039T34.7Very low33.4Very low130 Ų130135.8 Ų135.880%0.79875%0.754SS**  trans-136.4137.3139.643.90000109.7
1040S29.8Very low33.9Very low117 Ų117138.1 Ų138.182%0.81877%0.766SS**  trans-68.4144.3173.4177.50000110.7
1041K36.6Very low34Very low172 Ų172140.7 Ų140.775%0.74877%0.772SS**  trans-135.888.4164.5-78-171.5174.7-178.90110.4I1043K1041-I1043 HydrophobicContact CB-CG1 4.38Å; K1041-I1043 HydrophobicContact CD-CD1 4.39Å
1042S29.7Very low34.2Very low98 Ų98136.5 Ų136.569%0.68577%0.767SS**  trans-62.5128.3148.1-179.40000108.2
1043I40Very low34.6Very low122 Ų122139 Ų13963%0.62677%0.773SS**  trans-140.6100.7167.7-60.7-176.9000107.8K1041 R1045K1041-I1043 HydrophobicContact CB-CG1 4.38Å; K1041-I1043 HydrophobicContact CD-CD1 4.39Å; I1043-R1045 HydrophobicContact CG2-CG 4.33Å
1044D32.3Very low35.3Very low142 Ų142136.3 Ų136.376%0.75977%0.773SS**  trans-60.9137.3162.7-68.4-67.3000110.3
1045R36.1Very low35.5Very low239 Ų239134.2 Ų134.290%0.90277%0.768SS**  trans-124.673177.6-87-169.4165.8-168.6-0.9111.6I1043I1043-R1045 HydrophobicContact CG2-CG 4.33Å
1046S31Very low36Very low115 Ų115137 Ų13780%0.80479%0.787SS**  trans-160.55717646.60000114.1
1047A34.5Very low36.3Very low89 Ų89131.1 Ų131.174%0.73678%0.779SS**  trans-140.7111.6174.400000115
1048L36.2Very low36.5Very low175 Ų175133.9 Ų133.992%0.91679%0.788SS**  trans65.1113145.3-58.2170.9000120.6
1049S41.1Very low36.9Very low113 Ų113131.8 Ų131.879%0.7978%0.777SS**PPolyproline II helixtrans-80.7162.4155.7-139.50000110.5
1050P43.4Very low37.2Very low129 Ų129133.5 Ų133.584%0.83878%0.781SS**PPolyproline II helixtrans-80.8165.7-165.632.4-35.1000115.5
1051N32.7Very low37.8Very low153 Ų153133.6 Ų133.682%0.81878%0.778SS**PPolyproline II helixtrans-99.2127.9-169.9168.925.2000113.4
1052S38.8Very low37.7Very low102 Ų102131.6 Ų131.671%0.71378%0.776SS**  trans-161.5111.9150.762.80000115.6
1053N37.9Very low38.3Very low146 Ų146132.4 Ų132.478%0.78178%0.779SS**  trans65.7111.7134.2-59.8-16.7000123.5
1054A45.2Very low38.1Very low96 Ų96134.7 Ų134.779%0.79379%0.787SS**  91.8151.6125.600000120.5
1055P41.3Very low38.6Very low111 Ų111133.7 Ų133.772%0.72179%0.788SS**  trans-133.7175.2-14643.4-27.4000116.9
1056N41.1Very low38.6Very low160 Ų160127.9 Ų127.986%0.85678%0.781SS**  -167.8157.5127.2-97.5-31.8000112.8
1057P38.5Very low38.6Very low110 Ų110128.1 Ų128.171%0.71478%0.778SS**  trans-123.7159.5-165.341.3-28.7000116.7
1058I35.6Very low38.3Very low174 Ų174131.5 Ų131.589%0.89278%0.783SS**  trans-179.9144157.1-98.5148.5000107.9
1059A37.6Very low38.3Very low74 Ų74130.6 Ų130.661%0.61278%0.778SS**  cis-165.2141.7-26.300000110.9
1060L42.4Very low37.7Very low167 Ų167130.7 Ų130.787%0.87478%0.778SS**  trans63.2159.9163.3-84.977.3000119.7
1061P41.1Very low37.4Very low118 Ų118130.3 Ų130.377%0.76678%0.776SS**  cis-130.2160.6-28.735.5-19.4000114.4
1062N35.3Very low37.2Very low131 Ų131127.9 Ų127.970%0.70177%0.771SS**  trans-119.4149.2177.2175.945.7000110.7
1063P43.3Very low37Very low115 Ų115129.9 Ų129.975%0.74778%0.778SS**  trans-107.1117.2159.533.5-23.7000112.3
1064Q34.5Very low36.8Very low169 Ų169130 Ų13079%0.7978%0.779SS**  trans-79.4157170.3-82179.1-58.200112.6
1065P43.1Very low35.8Very low122 Ų122136.4 Ų136.479%0.79278%0.783SS**  trans-86.7149.5175.535.1-35000113.3
1066P36.1Very low35.1Very low116 Ų116137.1 Ų137.175%0.75379%0.785SS**  trans-123.1113.2164.935-21.5000114.4
1067T32Very low34.5Very low120 Ų120136.3 Ų136.374%0.73679%0.786SS**  32.1114.1116.9-50.10000120.2
1068L27.7Very low34.3Very low160 Ų160137.1 Ų137.184%0.83878%0.783SS**  trans61.8139.5159.3-55.3168.7000115.2
1069I35.3Very low33.8Very low157 Ų157134.3 Ų134.381%0.80578%0.779SS**  -159.5149.158.2-77.7163.9000108.6
1070S29.5Very low33.5Very low115 Ų115136.2 Ų136.280%0.80478%0.775SS**  trans-80.4146.1172.4-50.50000113
1071P36.4Very low32.8Very low120 Ų120133.9 Ų133.978%0.77977%0.773SS**  trans-123.2134.9138.334.7-27.9000112.8V1073P1071-V1073 PolarHBondContact O-N 3.07Å
1072S28.1Very low32.2Very low103 Ų103137.6 Ų137.672%0.7277%0.771SS**  trans-59.8118.6175.5160.50000113.5
1073V35.9Very low32Very low144 Ų144137.1 Ų137.187%0.87378%0.775SS**  trans-128.6141.6145.3-177.20000107.6P1071P1071-V1073 PolarHBondContact O-N 3.07Å
1074N31.9Very low31.4Very low148 Ų148137.4 Ų137.479%0.79178%0.775SS**  trans-76.1147-160.4-76.8-49.7000115
1075R25.4Very low31.1Very low231 Ų231139.8 Ų139.887%0.87278%0.777SS**  trans-56.6141.5169.3-62169.9168.4-175.1-4.8111.2
1076T26.7Very low30.4Very low125 Ų125140 Ų14077%0.76778%0.776SS**  -175.9104106.632.40000112.1
1077T28.9Very low30.2Very low144 Ų144139.1 Ų139.188%0.88377%0.772SS**  trans-131.764.7166.235.70000111.2S1079T1077-S1079 PolarHBondContact O-N 3.36Å
1078I32.8Very low30.1Very low127 Ų127139.8 Ų139.865%0.65177%0.771SS**  trans44.977.7139-55.7176.3000115.6H1080I1078-H1080 HydrophobicContact CG2-CB 3.85Å
1079S25.5Very low30.2Very low115 Ų115138.5 Ų138.580%0.80477%0.765SS**  trans-88.586.7141.147.50000108.4T1077T1077-S1079 PolarHBondContact O-N 3.36Å
1080H31.8Very low30Very low114 Ų114136 Ų13653%0.52876%0.757SS.*  trans-125.992177.7-64-23.7000112.4I1078 R1082I1078-H1080 HydrophobicContact CG2-CB 3.85Å; H1080-R1082 HydrophobicContact CB-CB 3.94Å; H1080-R1082 HydrophobicContact CB-CG 4.26Å; H1080-R1082 PolarHBondContact O-N 3.22Å
1081S27.7Very low30.1Very low118 Ų118138.2 Ų138.283%0.82576%0.755SS**  -43.295120.440.50000110.1P1083S1081-P1083 VanDerWaalsContact O-CD 3.25Å; S1081-P1083 WeakPolarHBondContact O-CD 3.08Å
1082R28.4Very low30.2Very low195 Ų195139 Ų13974%0.73675%0.751SS**  trans-106.799.4-173.3-149.5178.9-167.9-151.42.2111.9H1080H1080-R1082 HydrophobicContact CB-CB 3.94Å; H1080-R1082 HydrophobicContact CB-CG 4.26Å; H1080-R1082 PolarHBondContact O-N 3.22Å
1083P30.8Very low30.6Very low121 Ų121139.4 Ų139.479%0.78675%0.749SS**  trans-75.5135.2164.832-32.1000109.2S1081S1081-P1083 VanDerWaalsContact O-CD 3.25Å; S1081-P1083 WeakPolarHBondContact O-CD 3.08Å
1084V30.3Very low30.6Very low121 Ų121140.2 Ų140.273%0.73374%0.743SS**  trans-121115.5170-178.30000108
1085R28.9Very low31Very low220 Ų220142.1 Ų142.183%0.8375%0.747SS**  trans-76.3164.8172.1-81.3179.3145.694.4-5.8110.1
1086T29.1Very low31.4Very low127 Ų127136 Ų13678%0.77974%0.74SS**  trans-51175.8148.349.60000112.3
1087S30.5Very low31.7Very low97 Ų97134.9 Ų134.968%0.67874%0.737SS**  trans81.8140.6-17783.50000114.2
1088N29.5Very low31.9Very low133 Ų133133.2 Ų133.271%0.71173%0.731SS**  cis-160.2150.2-1.2-121.76.2000114
1089L29.8Very low32.2Very low134 Ų134133 Ų13370%0.70274%0.738SS**  trans64.8147.9141.8-64.6166.6000121.8
1090T32.1Very low32.9Very low105 Ų105133.5 Ų133.564%0.64474%0.739SS**  trans28.4137.8142.859.10000119.5
1091E32.4Very low32.7Very low161 Ų161137.3 Ų137.375%0.75275%0.754SS**  cis-163.5175.116.4-115.6154.6-12700107.7
1092I36.8Very low32.9Very low137 Ų137137.2 Ų137.270%0.70375%0.753SS**  cis-124.4-152.910-2.4174.6000108.3
1093T37.5Very low33.1Very low110 Ų110135.6 Ų135.668%0.67575%0.754SS**  cis-154.5-176.88.1-23.20000109.4
1094E34.7Very low33.2Very low162 Ų162136.8 Ų136.876%0.75775%0.754SS**  trans-48.9157.9156.4-65.1107.9-108.100114.2
1095E40.8Very low33.4Very low188 Ų188134.3 Ų134.388%0.87975%0.753SS**  cis-127152.332.2-66.1-171.3119.900118.1
1096S33.3Very low33.8Very low101 Ų101132.9 Ų132.971%0.70676%0.755SS**  trans-61.2160.8160.267.30000112.4
1097S34.8Very low33.9Very low102 Ų102136.6 Ų136.671%0.71376%0.761SS**  cis-164.9154.248.2-830000115.4
1098S31.8Very low34Very low109 Ų109137.3 Ų137.376%0.76277%0.766SS**  trans1.4143.5151.1-51.80000122.7
1099P38.9Very low34Very low123 Ų123137.1 Ų137.180%0.79976%0.764SS**  trans-86.4147.2169.135.8-34.3000113.7
1100P41Very low34Very low126 Ų126137.7 Ų137.782%0.81877%0.766SS**  trans-91.5149.1168.134.6-31.8000113
1101K28.2Very low33.9Very low193 Ų193141.9 Ų141.984%0.83977%0.772SS**  trans-100.2176.4165.1-69.8178.4177.9175.20109.8
1102S31.8Very low33.7Very low116 Ų116138.4 Ų138.481%0.81177%0.765SS**  trans75.8154.8170.1-2.90000114.5
1103E32.2Very low33.4Very low162 Ų162140.6 Ų140.676%0.75777%0.773SS**  cis-147.2154.414-143.4-168.7118.800114.7
1104N32.4Very low33Very low145 Ų145142.3 Ų142.378%0.77578%0.778SS**  trans25.1124.7151-75.5-34.3000122.4
1105G35.6Very low32.9Very low69 Ų69141.5 Ų141.571%0.71177%0.774SS**  trans169.4115.8149.900000115.8
1106Q36.1Very low32.5Very low191 Ų191140.4 Ų140.489%0.89377%0.766SS**  trans51.8100.3162.9-58.5175.8-8.100116.7
1107K31.1Very low32.6Very low204 Ų204145.1 Ų145.189%0.88778%0.777SS**  60.2139.561.4-64-170.6174.5-179.60115.7
1108S33.5Very low32.4Very low112 Ų112145.5 Ų145.578%0.78378%0.78SS**  trans84.4127.9175.7-153.50000115
1109L30.2Very low32.4Very low129 Ų129150.9 Ų150.968%0.67578%0.783SS**  cis-153.1154.8-12.2-123.3175.5000110.2Y1111L1109-Y1111 HydrophobicContact CD1-CD2 4.01Å; L1109-Y1111 HydrophobicContact CD1-CE2 3.82Å; L1109-Y1111 HydrophobicContact CD2-CD2 3.86Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.76Å; L1109-Y1111 HydrophobicContact CG-CD2 4.39Å; L1109-Y1111 HydrophobicContact CG-CE2 4.4Å
1110I28Very low31.9Very low147 Ų147149.5 Ų149.575%0.75478%0.777SS**  trans-105.5116.9164.4-64.7174.5000107.9
1111Y31.2Very low31.7Very low192 Ų192151.8 Ų151.875%0.75378%0.776SS**  trans-138.2136156.6-84.9-89.2000106.2L1109L1109-Y1111 HydrophobicContact CD1-CD2 4.01Å; L1109-Y1111 HydrophobicContact CD1-CE2 3.82Å; L1109-Y1111 HydrophobicContact CD2-CD2 3.86Å; L1109-Y1111 HydrophobicContact CD2-CE2 3.76Å; L1109-Y1111 HydrophobicContact CG-CD2 4.39Å; L1109-Y1111 HydrophobicContact CG-CE2 4.4Å
1112S28.6Very low31.8Very low88 Ų88150 Ų15062%0.61577%0.771SS**  cis87.743.920.4-46.10000117.1
1113E30.7Very low32Very low184 Ų184151.2 Ų151.286%0.8677%0.773SS**  trans-128.1127.8143-70.7-170.7122.300107.8
1114N28.3Very low32Very low146 Ų146147.6 Ų147.678%0.78176%0.762SS**  cis7852.4-1-132.112.2000117
1115Q32.8Very low32.1Very low144 Ų144147.3 Ų147.367%0.67377%0.765SS**  -164139128.5-107.8169.811200115.6
1116K32.8Very low32Very low166 Ų166149.7 Ų149.772%0.72277%0.766SS**  trans33.1116.9142.8-59.4160.4-175.9162.80119.4
1117Q33.8Very low32.1Very low200 Ų200145.7 Ų145.794%0.93576%0.756SS**  -147.5115103.1-159.595.920.100109
1118S30.5Very low32Very low110 Ų110144.9 Ų144.977%0.76976%0.756SS**  trans-103.5117.6-178.252.80000111.3
1119R32Very low32.2Very low222 Ų222148.7 Ų148.784%0.83876%0.758SS**  trans-157.4108.5165.7-154.5175-174.1178.30.3107
1120S30.1Very low32.5Very low94 Ų94147.1 Ų147.166%0.65776%0.758SS**  cis79.665.628.894.20000115.2
1121E35.8Very low33Very low173 Ų173149.2 Ų149.281%0.80876%0.761SS**  trans-125.595.5146.3-67177.8175.900103.6
1122E31.1Very low33.2Very low155 Ų155147.5 Ų147.572%0.72477%0.765SS**  71.860.854-146.4-173.3178.900113.6V1124E1122-V1124 VanDerWaalsContact C-N 3.28Å; E1122-V1124 HydrophobicContact CG-CG2 3.73Å; E1122-V1124 PolarHBondContact O-N 3.47Å
1123V34.4Very low33.7Very low142 Ų142148.4 Ų148.486%0.86177%0.771SS**  trans-69.492.1154.7178.40000107.6V1125V1123-V1125 PolarHBondContact O-N 3.14Å
1124V33.7Very low34Very low87 Ų87152.7 Ų152.753%0.52779%0.787SS.*  trans-64.3112.9-174.5179.70000111.4E1122 V1126E1122-V1124 VanDerWaalsContact C-N 3.28Å; E1122-V1124 HydrophobicContact CG-CG2 3.73Å; E1122-V1124 PolarHBondContact O-N 3.47Å; V1124-V1126 HydrophobicContact CG1-CB 3.72Å; V1124-V1126 HydrophobicContact CG1-CG2 3.35Å
1125V33.5Very low34.3Very low139 Ų139153.1 Ų153.184%0.84279%0.788SS**  trans-94.297.7157.6178.90000107.9V1123V1123-V1125 PolarHBondContact O-N 3.14Å
1126V34.1Very low34.4Very low119 Ų119153.5 Ų153.572%0.72179%0.794SS**  trans-116.1134172.61560000109V1124V1124-V1126 HydrophobicContact CG1-CB 3.72Å; V1124-V1126 HydrophobicContact CG1-CG2 3.35Å
1127P37.8Very low34.5Very low106 Ų106152.8 Ų152.869%0.68880%0.798SS**  trans-94.9176.6-156.738.1-39.5000114.3K1129P1127-K1129 PolarHBondContact O-N 3.14Å
1128E29Very low34.5Very low188 Ų188150.1 Ų150.188%0.87979%0.79SS**  trans-49133.4165.7-64.7-168.4132.300112.6
1129K37.8Very low34.8Very low192 Ų192152.6 Ų152.684%0.83579%0.791SS**  trans-158.196.9150.8-114.3158.2-170.2169.90112.2P1127P1127-K1129 PolarHBondContact O-N 3.14Å
1130S36.3Very low34.9Very low96 Ų96147.9 Ų147.967%0.67179%0.788SS**  trans12.9124144.6620000118.7
1131K39.4Very low35.3Very low190 Ų190151.8 Ų151.883%0.82680%0.797SS**  -178.3122.1116.8-96.1152-172.4177.80113.6
1132N35.6Very low35.3Very low156 Ų156150.2 Ų150.283%0.83480%0.796SS**  trans40.8137137.3-57.26.3000122.4
1133S37.5Very low35.6Very low107 Ų107149.8 Ų149.875%0.74880%0.802SS**  trans8374.1136.6-175.10000119.3
1134K38.3Very low35.7Very low275 Ų275150.5 Ų150.5100%1.19680%0.797SS**  -158.7090.4-108.6177.4180177.10112.4

Retrieved 1,134 of 1,134 residues in 588.2 ms (Link to these results)