A0A5K4FBM3_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,437 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
1M63.9Low77.1Confident188 Ų188133 Ų13393%0.92662%0.618SS**  0-84.20-70.1-171.781.500114H3 Q4 L5M1-H3 PolarHBondContact O-N 3.28Å; M1-Q4 WeakPolarHBondContact O-CA 3.17Å; M1-Q4 WeakPolarHBondContact O-CB 3.01Å; M1-Q4 PolarHBondContact O-N 2.94Å; M1-L5 PolarHBondContact O-N 3.35Å
2K74.1Confident77.4Confident186 Ų186132 Ų13281%0.80961%0.613SS**Hα-helixtrans-52.4-47.4-163.7-150.3177.1-174.4-176.40115.2Q4 L5 Q6K2-Q4 PolarHBondContact O-N 3.4Å; K2-L5 PolarHBondContact O-N 2.95Å; K2-Q6 PolarHBondContact O-N 3.01Å
3H74.5Confident77.7Confident162 Ų162131.8 Ų131.875%0.7561%0.609SS**Hα-helixtrans-65-31173.3-79.9-65000114.8M1 Y7M1-H3 PolarHBondContact O-N 3.28Å; H3-Y7 VanDerWaalsContact O-CB 3.31Å; H3-Y7 WeakPolarHBondContact O-CB 3.27Å; H3-Y7 PolarHBondContact O-N 3.07Å
4Q74.3Confident78.1Confident132 Ų132127.4 Ų127.462%0.61760%0.596SS**Hα-helixtrans-73.2-36.3174.6-69.6163-57.700111.3M1 K2 Y7 C8M1-Q4 WeakPolarHBondContact O-CA 3.17Å; M1-Q4 WeakPolarHBondContact O-CB 3.01Å; M1-Q4 PolarHBondContact O-N 2.94Å; K2-Q4 PolarHBondContact O-N 3.4Å; Q4-Y7 PolarHBondContact O-N 2.8Å; Q4-C8 WeakPolarHBondContact O-CB 3.31Å; Q4-C8 PolarHBondContact O-N 3.45Å; Q4-C8 PolarHBondContact O-SG 2.7Å; Q4-C8 VanDerWaalsContact O-SG 3.32Å
5L75.8Confident78.5Confident110 Ų110127.3 Ų127.358%0.57659%0.593SS**Hα-helixtrans-63.3-46.3173.5-159.884.2000110.1M1 K2 C8 Q9M1-L5 PolarHBondContact O-N 3.35Å; K2-L5 PolarHBondContact O-N 2.95Å; L5-C8 PolarHBondContact O-N 2.79Å; L5-Q9 WeakPolarHBondContact O-CG 3.43Å; L5-Q9 PolarHBondContact O-N 2.97Å
6Q78.5Confident78.8Confident91 Ų91127.4 Ų127.443%0.42559%0.594SS.*Hα-helixtrans-62.2-45.1176.1-176.2176.4-12.500112.1K2 C8 Q9 E10K2-Q6 PolarHBondContact O-N 3.01Å; Q6-C8 VanDerWaalsContact C-N 3.32Å; Q6-C8 PolarHBondContact O-N 2.74Å; Q6-Q9 PolarHBondContact O-N 2.89Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; Q6-E10 HydrophobicContact CG-CG 4.42Å; Q6-E10 VanDerWaalsContact CG-OE1 3.27Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.31Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 WeakPolarHBondContact O-CB 3.3Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.41Å
7Y81.6Confident79Confident153 Ų153125.8 Ų125.860%0.659%0.587SS**Hα-helixtrans-63-36.7175.6-179.4-105.1000112.6H3 Q4 R11H3-Y7 VanDerWaalsContact O-CB 3.31Å; H3-Y7 WeakPolarHBondContact O-CB 3.27Å; H3-Y7 PolarHBondContact O-N 3.07Å; Q4-Y7 PolarHBondContact O-N 2.8Å; Y7-R11 WeakPolarHBondContact O-CB 3.22Å; Y7-R11 PolarHBondContact O-N 3.01Å
8C79.7Confident79.3Confident78 Ų78125.2 Ų125.253%0.52759%0.587SS.*Hα-helixtrans-64.5-45.5171.1-74.20000111.5Q4 L5 Q6 R11 E12Q4-C8 WeakPolarHBondContact O-CB 3.31Å; Q4-C8 PolarHBondContact O-N 3.45Å; Q4-C8 PolarHBondContact O-SG 2.7Å; Q4-C8 VanDerWaalsContact O-SG 3.32Å; L5-C8 PolarHBondContact O-N 2.79Å; Q6-C8 VanDerWaalsContact C-N 3.32Å; Q6-C8 PolarHBondContact O-N 2.74Å; C8-R11 CarbonylContact O-C 3.5Å; C8-R11 PolarHBondContact O-N 3.29Å; C8-E12 WeakPolarHBondContact O-CB 3.39Å; C8-E12 PolarHBondContact O-N 2.93Å
9Q80.8Confident79.6Confident114 Ų114125.1 Ų125.153%0.53359%0.59SS.*Hα-helixtrans-64.5-38.9178.1-72.9174.3-41.900112.8L5 Q6 E12 K13L5-Q9 WeakPolarHBondContact O-CG 3.43Å; L5-Q9 PolarHBondContact O-N 2.97Å; Q6-Q9 PolarHBondContact O-N 2.89Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q9-K13 VanDerWaalsContact O-CB 3.24Å; Q9-K13 WeakPolarHBondContact O-CB 3.47Å; Q9-K13 PolarHBondContact O-N 2.91Å
10E81.4Confident79.8Confident101 Ų101124.7 Ų124.747%0.47259%0.588SS.*Hα-helixtrans-68.5-38.7174.1-73.1167.8-17300111.5Q6 T14Q6-E10 HydrophobicContact CG-CG 4.42Å; Q6-E10 VanDerWaalsContact CG-OE1 3.27Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.31Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 WeakPolarHBondContact O-CB 3.3Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.41Å; E10-T14 WeakPolarHBondContact O-CB 3.08Å; E10-T14 WeakPolarHBondContact O-CG2 2.99Å; E10-T14 PolarHBondContact O-N 2.88Å; E10-T14 PolarHBondContact O-OG1 2.91Å
11R83.3Confident80.1Confident148 Ų148124.5 Ų124.556%0.55859%0.587SS**Hα-helixtrans-68.8-34.7173.5-170.4179.2-175.6-161.62.8112.9Y7 C8 T14 K15Y7-R11 WeakPolarHBondContact O-CB 3.22Å; Y7-R11 PolarHBondContact O-N 3.01Å; C8-R11 CarbonylContact O-C 3.5Å; C8-R11 PolarHBondContact O-N 3.29Å; R11-T14 VanDerWaalsContact CA-OG1 3.29Å; R11-T14 WeakPolarHBondContact CA-OG1 3.28Å; R11-T14 PolarHBondContact O-OG1 3.1Å; R11-T14 VanDerWaalsContact O-OG1 3.1Å; R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.44Å
12E80.3Confident81.1Confident121 Ų121118.7 Ų118.757%0.56557%0.565SS**Hα-helixtrans-71.4-45.9176.9-167.7151.5-118.100110C8 Q9 T14 K15 E16C8-E12 WeakPolarHBondContact O-CB 3.39Å; C8-E12 PolarHBondContact O-N 2.93Å; Q9-E12 PolarHBondContact O-N 3.18Å; E12-T14 PolarHBondContact O-N 3.23Å; E12-K15 CarbonylContact O-C 3.56Å; E12-K15 WeakPolarHBondContact O-CA 3.4Å; E12-K15 WeakPolarHBondContact O-CB 2.94Å; E12-K15 PolarHBondContact O-N 3.32Å; E12-K15 VanDerWaalsContact O-N 3.09Å; E12-E16 WeakPolarHBondContact O-CG 3.38Å; E12-E16 PolarHBondContact O-N 3.32Å
13K82.2Confident81.7Confident129 Ų129117.4 Ų117.456%0.56156%0.556SS**Hα-helixtrans-61.9-39.7173.8-171172.8-176.51770113.3Q9 K15 E16 Q17Q9-K13 VanDerWaalsContact O-CB 3.24Å; Q9-K13 WeakPolarHBondContact O-CB 3.47Å; Q9-K13 PolarHBondContact O-N 2.91Å; K13-K15 VanDerWaalsContact C-N 3.34Å; K13-E16 PolarHBondContact O-N 2.82Å; K13-Q17 WeakPolarHBondContact O-CB 3.32Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.45Å; K13-Q17 PolarHBondContact O-N 2.9Å
14T83.1Confident82.2Confident70 Ų70112.6 Ų112.643%0.42954%0.536SS..Hα-helixtrans-69.4-31173.7450000112.4E10 R11 E12 L18E10-T14 WeakPolarHBondContact O-CB 3.08Å; E10-T14 WeakPolarHBondContact O-CG2 2.99Å; E10-T14 PolarHBondContact O-N 2.88Å; E10-T14 PolarHBondContact O-OG1 2.91Å; R11-T14 VanDerWaalsContact CA-OG1 3.29Å; R11-T14 WeakPolarHBondContact CA-OG1 3.28Å; R11-T14 PolarHBondContact O-OG1 3.1Å; R11-T14 VanDerWaalsContact O-OG1 3.1Å; E12-T14 PolarHBondContact O-N 3.23Å; T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.27Å; T14-L18 PolarHBondContact O-N 3.09Å
15K83.3Confident82.7Confident127 Ų127109.7 Ų109.755%0.55253%0.527SS*.Hα-helixtrans-65.4-46.6167.9-78.9178.5173.2-170.60111.8R11 E12 K13 Q17 L18 L19R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.44Å; E12-K15 CarbonylContact O-C 3.56Å; E12-K15 WeakPolarHBondContact O-CA 3.4Å; E12-K15 WeakPolarHBondContact O-CB 2.94Å; E12-K15 PolarHBondContact O-N 3.32Å; E12-K15 VanDerWaalsContact O-N 3.09Å; K13-K15 VanDerWaalsContact C-N 3.34Å; K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 PolarHBondContact O-N 3.21Å; K15-L18 PolarHBondContact O-N 2.62Å; K15-L19 WeakPolarHBondContact O-CB 3.13Å; K15-L19 PolarHBondContact O-N 3.08Å
16E83.3Confident83.1Confident129 Ų129107.9 Ų107.960%0.60352%0.521SS*.Hα-helixtrans-57.6-46176.2-71.1176.1147.700110.7E12 K13 L18 L19 E20E12-E16 WeakPolarHBondContact O-CG 3.38Å; E12-E16 PolarHBondContact O-N 3.32Å; K13-E16 PolarHBondContact O-N 2.82Å; E16-L18 PolarHBondContact O-N 3.4Å; E16-L19 PolarHBondContact O-N 2.8Å; E16-E20 VanDerWaalsContact O-CB 3.29Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 PolarHBondContact O-N 3.48Å
17Q83.5Confident83.4Confident100 Ų100110 Ų11047%0.46753%0.525SS..Hα-helixtrans-61.1-43.8175.6-72178.4-66.700112.6K13 K15 L19 E20 E21K13-Q17 WeakPolarHBondContact O-CB 3.32Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.45Å; K13-Q17 PolarHBondContact O-N 2.9Å; K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 PolarHBondContact O-N 3.21Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.4Å; Q17-E20 PolarHBondContact O-N 2.69Å; Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å
18L84.3Confident83.6Confident114 Ų114108.8 Ų108.860%0.59753%0.525SS*.Hα-helixtrans-67.9-30.2175.6-73168.6000112.9T14 K15 E16 S22T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.27Å; T14-L18 PolarHBondContact O-N 3.09Å; K15-L18 PolarHBondContact O-N 2.62Å; E16-L18 PolarHBondContact O-N 3.4Å; L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.42Å
19L83.7Confident83.8Confident124 Ų124110.6 Ų110.665%0.64953%0.529SS*.Hα-helixtrans-74.3-39.9175-124.5148.5000111.2K15 E16 Q17 S22 Y23K15-L19 WeakPolarHBondContact O-CB 3.13Å; K15-L19 PolarHBondContact O-N 3.08Å; E16-L19 PolarHBondContact O-N 2.8Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.4Å; L19-S22 PolarHBondContact O-N 3.28Å; L19-Y23 WeakPolarHBondContact O-CB 2.85Å; L19-Y23 PolarHBondContact O-N 2.74Å
20E85.3Confident84Confident116 Ų116111.5 Ų111.554%0.54253%0.533SS..Hα-helixtrans-64.4-46.3173.1-172.766-134.400110.7E16 Q17 Y23 N24E16-E20 VanDerWaalsContact O-CB 3.29Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 PolarHBondContact O-N 3.48Å; Q17-E20 PolarHBondContact O-N 2.69Å; E20-Y23 PolarHBondContact O-N 3.16Å; E20-N24 WeakPolarHBondContact O-CB 3.04Å; E20-N24 PolarHBondContact O-N 2.74Å; E20-N24 PolarHBondContact O-ND2 3.16Å; E20-N24 PolarHBondContact OE1-ND2 2.82Å
21E85.2Confident84.2Confident122 Ų122110.9 Ų110.957%0.5753%0.53SS*.Hα-helixtrans-60.6-47.5172.7-76174.8-175.600111.1Q17 Y23 N24 T25Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 3.48Å; E21-N24 PolarHBondContact O-N 2.81Å; E21-T25 PolarHBondContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.94Å
22S84Confident84.3Confident66 Ų66106.9 Ų106.946%0.46253%0.525SS..Hα-helixtrans-62.4-36.9176.9-174.40000112.8L18 L19 T25 T26L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.42Å; L19-S22 PolarHBondContact O-N 3.28Å; S22-T25 WeakPolarHBondContact CA-OG1 3.41Å; S22-T25 PolarHBondContact O-OG1 3.42Å; S22-T26 VanDerWaalsContact O-CB 3.28Å; S22-T26 WeakPolarHBondContact O-CB 3.2Å; S22-T26 PolarHBondContact O-N 2.8Å; S22-T26 PolarHBondContact O-OG1 2.93Å
23Y86.8Confident84.4Confident158 Ų158104.6 Ų104.662%0.6252%0.519SS*.Hα-helixtrans-72-42.8178.1-169.3-98.5000110.7L19 E20 E21 T26 R27L19-Y23 WeakPolarHBondContact O-CB 2.85Å; L19-Y23 PolarHBondContact O-N 2.74Å; E20-Y23 PolarHBondContact O-N 3.16Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 3.48Å; Y23-T26 PolarHBondContact O-N 2.81Å; Y23-R27 VanDerWaalsContact O-CB 3.26Å; Y23-R27 WeakPolarHBondContact O-CB 3.35Å; Y23-R27 PolarHBondContact O-N 3.28Å
24N85.1Confident84.6Confident61 Ų61102.6 Ų102.633%0.32652%0.517SS..Hα-helixtrans-67.5-38175.8-75.5-65.5000112.5E20 E21 R27 Q28E20-N24 WeakPolarHBondContact O-CB 3.04Å; E20-N24 PolarHBondContact O-N 2.74Å; E20-N24 PolarHBondContact O-ND2 3.16Å; E20-N24 PolarHBondContact OE1-ND2 2.82Å; E21-N24 PolarHBondContact O-N 2.81Å; N24-R27 PolarHBondContact O-N 2.94Å; N24-Q28 WeakPolarHBondContact O-CB 3.2Å; N24-Q28 VanDerWaalsContact O-CG 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.17Å; N24-Q28 PolarHBondContact O-N 2.72Å
25T84.6Confident84.7Confident71 Ų71103.3 Ų103.344%0.43652%0.519SS..Hα-helixtrans-68.8-38.3171.550.90000112.2E21 S22 R27 Q28 L29E21-T25 PolarHBondContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.94Å; S22-T25 WeakPolarHBondContact CA-OG1 3.41Å; S22-T25 PolarHBondContact O-OG1 3.42Å; T25-R27 VanDerWaalsContact C-N 3.32Å; T25-R27 PolarHBondContact O-N 3.45Å; T25-Q28 PolarHBondContact O-N 3.48Å; T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 2.67Å
26T84.6Confident84.8Confident73 Ų73101.9 Ų101.945%0.44852%0.516SS..Hα-helixtrans-61.8-43.7174.1-59.20000110.6S22 Y23 L29 Q30S22-T26 VanDerWaalsContact O-CB 3.28Å; S22-T26 WeakPolarHBondContact O-CB 3.2Å; S22-T26 PolarHBondContact O-N 2.8Å; S22-T26 PolarHBondContact O-OG1 2.93Å; Y23-T26 PolarHBondContact O-N 2.81Å; T26-L29 PolarHBondContact O-N 2.78Å; T26-Q30 WeakPolarHBondContact O-CB 3.49Å; T26-Q30 PolarHBondContact O-N 2.87Å
27R85.4Confident84.8Confident135 Ų135103 Ų10351%0.50952%0.52SS..Hα-helixtrans-62.5-45.9175.7179.9179.1174.1158.25.2112.2Y23 N24 T25 L29 Q30 E31Y23-R27 VanDerWaalsContact O-CB 3.26Å; Y23-R27 WeakPolarHBondContact O-CB 3.35Å; Y23-R27 PolarHBondContact O-N 3.28Å; N24-R27 PolarHBondContact O-N 2.94Å; T25-R27 VanDerWaalsContact C-N 3.32Å; T25-R27 PolarHBondContact O-N 3.45Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.39Å; R27-Q30 PolarHBondContact O-N 3.05Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 IonicContact CZ-OE1 3.99Å; R27-E31 IonicContact NE-OE1 3.84Å; R27-E31 PolarHBondContact NE-OE1 3.25Å; R27-E31 IonicContact NH2-OE1 2.64Å; R27-E31 PolarHBondContact NH2-OE1 2.77Å; R27-E31 WeakPolarHBondContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 3.49Å
28Q85.2Confident84.9Confident127 Ų127103.7 Ų103.759%0.59352%0.523SS*.Hα-helixtrans-62-39.6175.9-75.3172.85.300112N24 T25 S32N24-Q28 WeakPolarHBondContact O-CB 3.2Å; N24-Q28 VanDerWaalsContact O-CG 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.17Å; N24-Q28 PolarHBondContact O-N 2.72Å; T25-Q28 PolarHBondContact O-N 3.48Å; Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.49Å; Q28-S32 PolarHBondContact O-N 2.88Å
29L84.3Confident85Confident117 Ų117101 Ų10161%0.61351%0.507SS*.Hα-helixtrans-64.2-41.8172.5-73.1169.4000111.5T25 T26 R27 S32 V33T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 2.67Å; T26-L29 PolarHBondContact O-N 2.78Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.39Å; L29-S32 PolarHBondContact O-N 3.47Å; L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.71Å
30Q84.8Confident85Confident132 Ų13298.3 Ų98.362%0.61750%0.496SS*.Hα-helixtrans-66.7-44.3178.9-162.116814.800111.6T26 R27 S32 V33 T34T26-Q30 WeakPolarHBondContact O-CB 3.49Å; T26-Q30 PolarHBondContact O-N 2.87Å; R27-Q30 PolarHBondContact O-N 3.05Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 3.33Å; Q30-V33 PolarHBondContact O-N 3.4Å; Q30-T34 PolarHBondContact O-N 3.3Å; Q30-T34 PolarHBondContact O-OG1 3Å
31E86.2Confident85Confident89 Ų8993.9 Ų93.942%0.41648%0.482SS..Hα-helixtrans-62.4-38171.9-71.4175.2-172.700111.4R27 N35R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 IonicContact CZ-OE1 3.99Å; R27-E31 IonicContact NE-OE1 3.84Å; R27-E31 PolarHBondContact NE-OE1 3.25Å; R27-E31 IonicContact NH2-OE1 2.64Å; R27-E31 PolarHBondContact NH2-OE1 2.77Å; R27-E31 WeakPolarHBondContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 3.49Å; E31-N35 WeakPolarHBondContact O-CB 3.36Å; E31-N35 PolarHBondContact O-N 2.85Å; E31-N35 PolarHBondContact O-ND2 2.95Å
32S84.5Confident85Confident63 Ų6393 Ų9344%0.44148%0.477SS..Hα-helixtrans-67.2-38.7173.6-173.10000112.8Q28 L29 Q30 N35 L36Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.49Å; Q28-S32 PolarHBondContact O-N 2.88Å; L29-S32 PolarHBondContact O-N 3.47Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 3.33Å; S32-N35 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.42Å
33V84Confident85Confident73 Ų7396.6 Ų96.644%0.44248%0.481SS..Hα-helixtrans-67.3-43.3176165.50000110.5L29 Q30 N35 L36 F37L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.71Å; Q30-V33 PolarHBondContact O-N 3.4Å; V33-N35 PolarHBondContact O-N 3.24Å; V33-L36 PolarHBondContact O-N 2.71Å; V33-L36 VanDerWaalsContact O-N 3.15Å; V33-F37 HydrophobicContact CG1-CD2 3.71Å; V33-F37 HydrophobicContact CG1-CE2 3.6Å; V33-F37 WeakPolarHBondContact O-CD2 2.91Å; V33-F37 PolarHBondContact O-N 2.84Å
34T85.6Confident85Confident87 Ų8795 Ų9553%0.53448%0.479SS..Hα-helixtrans-60.1-44.3174.3-56.40000111.6Q30 L36 F37 Q38Q30-T34 PolarHBondContact O-N 3.3Å; Q30-T34 PolarHBondContact O-OG1 3Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.3Å; T34-F37 PolarHBondContact O-N 3.09Å; T34-Q38 PolarHBondContact O-N 3.18Å
35N85.1Confident85Confident85 Ų8597 Ų9746%0.45549%0.49SS..Hα-helixtrans-61-37.8173.8-85-70.2000112.7E31 S32 V33 Q39E31-N35 WeakPolarHBondContact O-CB 3.36Å; E31-N35 PolarHBondContact O-N 2.85Å; E31-N35 PolarHBondContact O-ND2 2.95Å; S32-N35 PolarHBondContact O-N 3.01Å; V33-N35 PolarHBondContact O-N 3.24Å; N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.11Å; N35-Q39 PolarHBondContact O-N 3.48Å
36L85.2Confident85.1Confident97 Ų9798.9 Ų98.951%0.50850%0.496SS..Hα-helixtrans-68.3-42.4176.2-75.6169.2000112S32 V33 T34 Q38 Q39 V40S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 2.71Å; V33-L36 VanDerWaalsContact O-N 3.15Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.3Å; L36-Q38 PolarHBondContact O-N 2.71Å; L36-Q39 PolarHBondContact O-N 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.38Å
37F84.5Confident85.1Confident153 Ų153101.2 Ų101.267%0.67151%0.506SS*.Hα-helixtrans-60.6-43.6174.3-85.6-67000112.2V33 T34 Q39 V40 G41V33-F37 HydrophobicContact CG1-CD2 3.71Å; V33-F37 HydrophobicContact CG1-CE2 3.6Å; V33-F37 WeakPolarHBondContact O-CD2 2.91Å; V33-F37 PolarHBondContact O-N 2.84Å; T34-F37 PolarHBondContact O-N 3.09Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.45Å; F37-V40 PolarHBondContact O-N 2.82Å; F37-G41 PolarHBondContact O-N 2.74Å
38Q85.1Confident85.2Confident115 Ų115100.5 Ų100.554%0.53751%0.508SS..Hα-helixtrans-59.3-45.6174.6-175.4179.5-30.900111.4T34 L36 V40 G41 E42T34-Q38 PolarHBondContact O-N 3.18Å; L36-Q38 PolarHBondContact O-N 2.71Å; Q38-V40 VanDerWaalsContact C-N 3.27Å; Q38-V40 PolarHBondContact O-N 2.72Å; Q38-G41 PolarHBondContact O-N 3.33Å; Q38-E42 HydrophobicContact CG-CG 4.48Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.31Å; Q38-E42 PolarHBondContact NE2-OE1 2.6Å; Q38-E42 WeakPolarHBondContact O-CG 2.87Å; Q38-E42 PolarHBondContact O-N 3.46Å
39Q85Confident85.2Confident56 Ų56101.4 Ų101.426%0.26251%0.51SS..Hα-helixtrans-67.2-23178.1-70.3172.733.900114.1N35 L36 F37 R43N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.11Å; N35-Q39 PolarHBondContact O-N 3.48Å; L36-Q39 PolarHBondContact O-N 3.34Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.45Å; Q39-R43 WeakPolarHBondContact O-CD 3.49Å; Q39-R43 VanDerWaalsContact O-CG 3.24Å; Q39-R43 WeakPolarHBondContact O-CG 3.29Å; Q39-R43 PolarHBondContact O-N 3.43Å
40V84.6Confident85.3Confident69 Ų69100.9 Ų100.942%0.41851%0.507SS..Hα-helixtrans-73.4-51.1169.8170.70000109.7L36 F37 Q38 E42 R43 E44L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.38Å; F37-V40 PolarHBondContact O-N 2.82Å; Q38-V40 VanDerWaalsContact C-N 3.27Å; Q38-V40 PolarHBondContact O-N 2.72Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 3.19Å; V40-R43 CarbonylContact O-C 3.45Å; V40-R43 WeakPolarHBondContact O-CA 3.48Å; V40-R43 WeakPolarHBondContact O-CB 3.3Å; V40-R43 PolarHBondContact O-N 2.74Å; V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.4Å
41G85.6Confident85.4Confident23 Ų2397.5 Ų97.524%0.23750%0.498CS..Hα-helixtrans-59.5-38.3177.800000113.4F37 Q38 R43 E44 N45F37-G41 PolarHBondContact O-N 2.74Å; Q38-G41 PolarHBondContact O-N 3.33Å; G41-R43 VanDerWaalsContact C-N 3.33Å; G41-R43 PolarHBondContact O-N 2.76Å; G41-E44 PolarHBondContact O-N 2.69Å; G41-N45 WeakPolarHBondContact O-CB 3.46Å; G41-N45 PolarHBondContact O-N 3.03Å; G41-N45 PolarHBondContact O-ND2 2.8Å
42E85.7Confident85.4Confident103 Ų10397.4 Ų97.448%0.48150%0.5SS..Hα-helixtrans-59.8-41.3171.8-75.4169.9-174.200112.1Q38 V40 L46Q38-E42 HydrophobicContact CG-CG 4.48Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.31Å; Q38-E42 PolarHBondContact NE2-OE1 2.6Å; Q38-E42 WeakPolarHBondContact O-CG 2.87Å; Q38-E42 PolarHBondContact O-N 3.46Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 3.19Å; E42-L46 PolarHBondContact O-N 2.84Å; E42-L46 VanDerWaalsContact O-N 3.1Å
43R83.8Confident85.5Confident141 Ų14198.5 Ų98.553%0.53250%0.498SS..Hα-helixtrans-72.2-40.8178.7-77.9171.4164.6-169.7-9.6112.6Q39 V40 G41 L46 L47Q39-R43 WeakPolarHBondContact O-CD 3.49Å; Q39-R43 VanDerWaalsContact O-CG 3.24Å; Q39-R43 WeakPolarHBondContact O-CG 3.29Å; Q39-R43 PolarHBondContact O-N 3.43Å; V40-R43 CarbonylContact O-C 3.45Å; V40-R43 WeakPolarHBondContact O-CA 3.48Å; V40-R43 WeakPolarHBondContact O-CB 3.3Å; V40-R43 PolarHBondContact O-N 2.74Å; G41-R43 VanDerWaalsContact C-N 3.33Å; G41-R43 PolarHBondContact O-N 2.76Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.9Å; R43-L47 WeakPolarHBondContact O-CB 3.47Å; R43-L47 PolarHBondContact O-N 3.33Å
44E86.3Confident85.6Confident125 Ų12599.3 Ų99.358%0.58450%0.503SS*.Hα-helixtrans-62.6-43.7176.1-71175.3162.200111.2V40 G41 L46 L47 H48V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.4Å; G41-E44 PolarHBondContact O-N 2.69Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.44Å; E44-L47 PolarHBondContact O-N 2.78Å; E44-H48 PolarHBondContact O-N 3.28Å
45N85.2Confident85.5Confident104 Ų10499.2 Ų99.256%0.55650%0.499SS*.Hα-helixtrans-60.9-38.6172.8-81.9-67.7000112.6G41 K49G41-N45 WeakPolarHBondContact O-CB 3.46Å; G41-N45 PolarHBondContact O-N 3.03Å; G41-N45 PolarHBondContact O-ND2 2.8Å; N45-K49 WeakPolarHBondContact O-CG 3.39Å; N45-K49 PolarHBondContact O-N 3.14Å; N45-K49 VanDerWaalsContact O-N 3.1Å
46L87.1Confident85.6Confident109 Ų109100.7 Ų100.757%0.57150%0.501SS*.Hα-helixtrans-65.9-42.3174.4-160.285.5000111.7E42 R43 E44 K49 L50E42-L46 PolarHBondContact O-N 2.84Å; E42-L46 VanDerWaalsContact O-N 3.1Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.9Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.44Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-L50 HydrophobicContact CD2-CD1 4.5Å; L46-L50 HydrophobicContact CG-CD1 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.12Å; L46-L50 PolarHBondContact O-N 3.34Å
47L84.6Confident85.5Confident122 Ų122101.1 Ų101.164%0.63950%0.504SS*.Hα-helixtrans-66.1-40.2-180-144.1167.1000111R43 E44 L50 S51R43-L47 WeakPolarHBondContact O-CB 3.47Å; R43-L47 PolarHBondContact O-N 3.33Å; E44-L47 PolarHBondContact O-N 2.78Å; L47-L50 PolarHBondContact O-N 2.66Å; L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.5Å
48H86.1Confident85.6Confident121 Ų12198.9 Ų98.956%0.5649%0.494SS*.Hα-helixtrans-62.7-45.1173.1-171.473.6000112.1E44 L50 S51 L52E44-H48 PolarHBondContact O-N 3.28Å; H48-L50 PolarHBondContact O-N 2.95Å; H48-S51 PolarHBondContact O-N 2.77Å; H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.78Å
49K86.8Confident85.7Confident146 Ų14698.1 Ų98.164%0.63549%0.494SS*.Hα-helixtrans-59.9-43174.4-74.9176.7179.9-178.50112.4N45 L46 L52 E53N45-K49 WeakPolarHBondContact O-CG 3.39Å; N45-K49 PolarHBondContact O-N 3.14Å; N45-K49 VanDerWaalsContact O-N 3.1Å; L46-K49 PolarHBondContact O-N 3.4Å; K49-L52 PolarHBondContact O-N 2.86Å; K49-E53 PolarHBondContact O-N 2.73Å; K49-E53 VanDerWaalsContact O-N 3.11Å
50L85.5Confident85.7Confident105 Ų105102 Ų10255%0.5551%0.509SS..Hα-helixtrans-63.6-41.5175.2-72.7168000112L46 L47 H48 L52 E53 V54L46-L50 HydrophobicContact CD2-CD1 4.5Å; L46-L50 HydrophobicContact CG-CD1 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.12Å; L46-L50 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 2.66Å; H48-L50 PolarHBondContact O-N 2.95Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 2.79Å; L50-E53 PolarHBondContact O-N 2.75Å; L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 3.11Å
51S86.7Confident85.7Confident62 Ų62104.3 Ų104.343%0.43452%0.515SS..Hα-helixtrans-63.2-38.7176.8-1700000112.7L47 H48 N55L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.5Å; H48-S51 PolarHBondContact O-N 2.77Å; S51-N55 PolarHBondContact O-N 3.45Å
52L86.8Confident85.7Confident86 Ų86107.4 Ų107.445%0.4552%0.524SS..Hα-helixtrans-64.7-42.6174.7-73.2170.8000111.5H48 K49 L50 N55 K56H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.78Å; K49-L52 PolarHBondContact O-N 2.86Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 2.79Å; L52-N55 PolarHBondContact O-N 3.34Å; L52-K56 PolarHBondContact O-N 3.26Å
53E85.9Confident85.8Confident87 Ų87107.7 Ų107.741%0.40753%0.525SS..Hα-helixtrans-70.8-36.5-179.7-155.559.4-14300112.5K49 L50 N55 K56 L57K49-E53 PolarHBondContact O-N 2.73Å; K49-E53 VanDerWaalsContact O-N 3.11Å; L50-E53 PolarHBondContact O-N 2.75Å; E53-N55 VanDerWaalsContact C-N 3.31Å; E53-N55 PolarHBondContact O-N 2.82Å; E53-K56 PolarHBondContact O-N 3.31Å; E53-K56 IonicContact OE1-NZ 3.83Å; E53-K56 WeakPolarHBondContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CE 3.36Å; E53-K56 IonicContact OE2-NZ 3.9Å; E53-K56 PolarHBondContact OE2-NZ 3.22Å; E53-L57 WeakPolarHBondContact O-CG 3.23Å; E53-L57 PolarHBondContact O-N 2.75Å
54V85.6Confident85.9Confident90 Ų90105 Ų10555%0.54552%0.524SS..Hα-helixtrans-59.3-41.5171.1168.10000111.3L50 L57 K58L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 3.11Å; V54-L57 PolarHBondContact O-N 2.89Å; V54-K58 WeakPolarHBondContact O-CB 3.35Å; V54-K58 PolarHBondContact O-N 3.14Å
55N84.6Confident85.9Confident85 Ų85101.5 Ų101.546%0.45551%0.509SS..Hα-helixtrans-66.2-41175.7-77.8-17.2000112.4S51 L52 E53 L57 K58 N59S51-N55 PolarHBondContact O-N 3.45Å; L52-N55 PolarHBondContact O-N 3.34Å; E53-N55 VanDerWaalsContact C-N 3.31Å; E53-N55 PolarHBondContact O-N 2.82Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-L57 PolarHBondContact O-N 3.48Å; N55-K58 PolarHBondContact O-N 3.32Å; N55-N59 PolarHBondContact O-N 2.68Å; N55-N59 PolarHBondContact O-OD1 2.68Å; N55-N59 VanDerWaalsContact O-OD1 3.13Å
56K86.4Confident85.9Confident115 Ų115100.4 Ų100.450%0.551%0.509SS..Hα-helixtrans-60.2-43.1173.4-66.7-179.4-157159.20112.1L52 E53 N59 K60L52-K56 PolarHBondContact O-N 3.26Å; E53-K56 PolarHBondContact O-N 3.31Å; E53-K56 IonicContact OE1-NZ 3.83Å; E53-K56 WeakPolarHBondContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CE 3.36Å; E53-K56 IonicContact OE2-NZ 3.9Å; E53-K56 PolarHBondContact OE2-NZ 3.22Å; K56-N59 PolarHBondContact O-N 2.93Å; K56-K60 PolarHBondContact O-N 3.37Å
57L84.4Confident85.9Confident106 Ų10699.6 Ų99.656%0.55550%0.503SS*.Hα-helixtrans-66.1-38177.8-71170.5000111.9E53 V54 N55 K60 H61E53-L57 WeakPolarHBondContact O-CG 3.23Å; E53-L57 PolarHBondContact O-N 2.75Å; V54-L57 PolarHBondContact O-N 2.89Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-L57 PolarHBondContact O-N 3.48Å; L57-K60 PolarHBondContact O-N 3.44Å; L57-H61 WeakPolarHBondContact O-CB 3.41Å; L57-H61 PolarHBondContact O-N 2.82Å
58K86Confident86Confident106 Ų106100.3 Ų100.346%0.46150%0.497SS..Hα-helixtrans-63.3-47.3174.2-174.1175.5178.5-69.80111.8V54 N55 K60 H61 E62V54-K58 WeakPolarHBondContact O-CB 3.35Å; V54-K58 PolarHBondContact O-N 3.14Å; N55-K58 PolarHBondContact O-N 3.32Å; K58-K60 VanDerWaalsContact C-N 3.35Å; K58-K60 PolarHBondContact O-N 3.1Å; K58-H61 WeakPolarHBondContact O-CB 3.27Å; K58-H61 PolarHBondContact O-N 2.68Å; K58-E62 WeakPolarHBondContact CE-OE1 3.32Å; K58-E62 IonicContact NZ-OE1 2.61Å; K58-E62 PolarHBondContact NZ-OE1 2.86Å; K58-E62 IonicContact NZ-OE2 2.69Å; K58-E62 PolarHBondContact O-N 3.3Å
59N86.1Confident86Confident100 Ų10097.3 Ų97.354%0.53549%0.485SS..Hα-helixtrans-60.9-43.9178-67.714.2000111.4N55 K56 H61 E62 E63N55-N59 PolarHBondContact O-N 2.68Å; N55-N59 PolarHBondContact O-OD1 2.68Å; N55-N59 VanDerWaalsContact O-OD1 3.13Å; K56-N59 PolarHBondContact O-N 2.93Å; N59-H61 VanDerWaalsContact C-N 3.29Å; N59-H61 PolarHBondContact O-N 2.8Å; N59-E62 PolarHBondContact O-N 3.18Å; N59-E63 WeakPolarHBondContact O-CB 3.36Å; N59-E63 PolarHBondContact O-N 3.31Å
60K85.8Confident85.9Confident136 Ų13693.3 Ų93.359%0.59148%0.476SS*.Hα-helixtrans-62.1-33.5173.4-76.6-175.5172.7-174.40113.1K56 L57 K58 V64K56-K60 PolarHBondContact O-N 3.37Å; L57-K60 PolarHBondContact O-N 3.44Å; K58-K60 VanDerWaalsContact C-N 3.35Å; K58-K60 PolarHBondContact O-N 3.1Å; K60-V64 WeakPolarHBondContact O-CB 3.29Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.13Å; K60-V64 PolarHBondContact O-N 2.81Å
61H83.8Confident85.9Confident118 Ų11894.2 Ų94.255%0.54648%0.475SS..Hα-helixtrans-69.1-40.9176.5-172.838.2000111.9L57 K58 N59 V64 I65L57-H61 WeakPolarHBondContact O-CB 3.41Å; L57-H61 PolarHBondContact O-N 2.82Å; K58-H61 WeakPolarHBondContact O-CB 3.27Å; K58-H61 PolarHBondContact O-N 2.68Å; N59-H61 VanDerWaalsContact C-N 3.29Å; N59-H61 PolarHBondContact O-N 2.8Å; H61-V64 PolarHBondContact O-N 3.03Å; H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.23Å; H61-I65 PolarHBondContact O-N 2.64Å
62E87.2Confident85.9Confident88 Ų8896.2 Ų96.241%0.41148%0.478SS..Hα-helixtrans-67.5-37175.9-71.9169.8-177.900112.1K58 N59 I65 S66K58-E62 WeakPolarHBondContact CE-OE1 3.32Å; K58-E62 IonicContact NZ-OE1 2.61Å; K58-E62 PolarHBondContact NZ-OE1 2.86Å; K58-E62 IonicContact NZ-OE2 2.69Å; K58-E62 PolarHBondContact O-N 3.3Å; N59-E62 PolarHBondContact O-N 3.18Å; E62-I65 PolarHBondContact O-N 2.88Å; E62-S66 PolarHBondContact O-N 3.16Å; E62-S66 PolarHBondContact O-OG 2.82Å
63E86.8Confident85.8Confident109 Ų10996.8 Ų96.851%0.50948%0.481SS..Hα-helixtrans-61.8-48.4170.9-174.2-179.1-172.500111.8N59 I65 S66 Q67N59-E63 WeakPolarHBondContact O-CB 3.36Å; N59-E63 PolarHBondContact O-N 3.31Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.29Å; E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 2.77Å; E63-S66 VanDerWaalsContact O-N 3.16Å; E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.33Å
64V85.7Confident85.7Confident85 Ų8597.2 Ų97.252%0.51548%0.483SS..Hα-helixtrans-64.8-34.8177.5167.80000112.3K60 H61 R68K60-V64 WeakPolarHBondContact O-CB 3.29Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.13Å; K60-V64 PolarHBondContact O-N 2.81Å; H61-V64 PolarHBondContact O-N 3.03Å; V64-R68 WeakPolarHBondContact O-CB 3.28Å; V64-R68 PolarHBondContact O-N 3.25Å
65I86.2Confident85.6Confident52 Ų5296.3 Ų96.327%0.26748%0.478SS..Hα-helixtrans-63.7-45.7171.8-73.7164.7000110.4H61 E62 E63 Q67 R68 D69H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.23Å; H61-I65 PolarHBondContact O-N 2.64Å; E62-I65 PolarHBondContact O-N 2.88Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.29Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.47Å; I65-R68 WeakPolarHBondContact O-CB 3.2Å; I65-R68 PolarHBondContact O-N 2.96Å; I65-D69 VanDerWaalsContact O-CG 3.29Å; I65-D69 PolarHBondContact O-N 2.81Å
66S85.4Confident85.6Confident80 Ų8097.4 Ų97.456%0.55948%0.478SS*.Hα-helixtrans-62.8-39.6179-54.80000112.1E62 E63 S70E62-S66 PolarHBondContact O-N 3.16Å; E62-S66 PolarHBondContact O-OG 2.82Å; E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 2.77Å; E63-S66 VanDerWaalsContact O-N 3.16Å; S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 3.47Å; S66-S70 VanDerWaalsContact O-N 3.09Å
67Q86.8Confident85.6Confident92 Ų9298.4 Ų98.443%0.4349%0.485SS..Hα-helixtrans-65.9-45.2173.6-69.5176.311.500111.9E63 I65 D69 S70 F71E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.33Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.47Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.01Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.9Å; Q67-F71 HydrophobicContact CB-CE2 4.35Å; Q67-F71 WeakPolarHBondContact O-CD2 3.1Å; Q67-F71 PolarHBondContact O-N 3.43Å
68R87.1Confident85.5Confident137 Ų13798.6 Ų98.652%0.51749%0.486SS..Hα-helixtrans-55-46.9174.9-179.6-15970-168.3-3.7111.4V64 I65 F71 Q72V64-R68 WeakPolarHBondContact O-CB 3.28Å; V64-R68 PolarHBondContact O-N 3.25Å; I65-R68 WeakPolarHBondContact O-CB 3.2Å; I65-R68 PolarHBondContact O-N 2.96Å; R68-F71 PolarHBondContact O-N 3.5Å; R68-Q72 WeakPolarHBondContact O-CB 3.48Å; R68-Q72 PolarHBondContact O-N 2.7Å
69D86.6Confident85.4Confident59 Ų5999.4 Ų99.432%0.31649%0.491SS..Hα-helixtrans-71.8-32.8-174.9-65.9-9.5000111.5I65 Q67 Q72 N73I65-D69 VanDerWaalsContact O-CG 3.29Å; I65-D69 PolarHBondContact O-N 2.81Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.01Å; D69-Q72 PolarHBondContact O-N 3.49Å; D69-N73 PolarHBondContact O-N 3.41Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.76Å
70S85.5Confident85.4Confident62 Ų62101.4 Ų101.443%0.43450%0.497SS..Hα-helixtrans-61-51.9168.1-173.50000112S66 Q67 Q72 N73 Q74S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 3.47Å; S66-S70 VanDerWaalsContact O-N 3.09Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.9Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.27Å; S70-N73 PolarHBondContact O-N 2.89Å; S70-Q74 PolarHBondContact O-N 2.98Å
71F85Confident85.3Confident124 Ų124103.5 Ų103.554%0.54450%0.502SS..Hα-helixtrans-63.7-34.6177.6-69.1-54000112.8Q67 R68 Q74 T75Q67-F71 HydrophobicContact CB-CE2 4.35Å; Q67-F71 WeakPolarHBondContact O-CD2 3.1Å; Q67-F71 PolarHBondContact O-N 3.43Å; R68-F71 PolarHBondContact O-N 3.5Å; F71-Q74 PolarHBondContact O-N 2.8Å; F71-T75 WeakPolarHBondContact O-CB 3.49Å; F71-T75 PolarHBondContact O-N 3.28Å; F71-T75 PolarHBondContact O-OG1 2.92Å
72Q86.1Confident85.2Confident104 Ų104101.7 Ų101.749%0.48650%0.501SS..Hα-helixtrans-67.6-35.8177.1-171.5170.75.600112R68 D69 S70 K76R68-Q72 WeakPolarHBondContact O-CB 3.48Å; R68-Q72 PolarHBondContact O-N 2.7Å; D69-Q72 PolarHBondContact O-N 3.49Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.27Å; Q72-K76 PolarHBondContact O-N 3.28Å
73N84.3Confident85Confident98 Ų98102.9 Ų102.952%0.52451%0.507SS..Hα-helixtrans-70.5-44.5173.1-71-22.6000111.8D69 S70 T75 K76 E77D69-N73 PolarHBondContact O-N 3.41Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.76Å; S70-N73 PolarHBondContact O-N 2.89Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 2.77Å; N73-K76 PolarHBondContact O-N 2.6Å; N73-K76 VanDerWaalsContact O-N 3.14Å; N73-E77 PolarHBondContact O-N 3.39Å
74Q85.3Confident85Confident96 Ų96101.9 Ų101.945%0.44951%0.505SS..Hα-helixtrans-59.2-37.3173.3-72.2-177.8-18.400112.4S70 F71 E77 L78S70-Q74 PolarHBondContact O-N 2.98Å; F71-Q74 PolarHBondContact O-N 2.8Å; Q74-E77 PolarHBondContact O-N 2.98Å; Q74-L78 WeakPolarHBondContact O-CB 3.14Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.06Å; Q74-L78 PolarHBondContact O-N 3.22Å
75T83Confident84.7Confident70 Ų70101.7 Ų101.743%0.42950%0.501SS..Hα-helixtrans-62.2-44.1175.9-56.30000110.8F71 N73 L78 E79F71-T75 WeakPolarHBondContact O-CB 3.49Å; F71-T75 PolarHBondContact O-N 3.28Å; F71-T75 PolarHBondContact O-OG1 2.92Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 2.77Å; T75-L78 PolarHBondContact O-N 3.16Å; T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.26Å; T75-E79 WeakPolarHBondContact O-CG 3.44Å; T75-E79 PolarHBondContact O-N 3.24Å
76K84.4Confident84.5Confident108 Ų108105.1 Ų105.147%0.4752%0.515SS..Hα-helixtrans-63.6-44.9175.6-74.1179.2173.8-178.10113.2Q72 N73 L78 E79 E80Q72-K76 PolarHBondContact O-N 3.28Å; N73-K76 PolarHBondContact O-N 2.6Å; N73-K76 VanDerWaalsContact O-N 3.14Å; K76-L78 PolarHBondContact O-N 3.42Å; K76-E79 PolarHBondContact O-N 2.81Å; K76-E80 WeakPolarHBondContact O-CG 3.28Å; K76-E80 PolarHBondContact O-N 3.42Å
77E85.6Confident84.4Confident137 Ų137106.8 Ų106.864%0.6451%0.513SS*.Hα-helixtrans-60.1-36.3176.5-70.9-175.3161.300111.6N73 Q74 R81N73-E77 PolarHBondContact O-N 3.39Å; Q74-E77 PolarHBondContact O-N 2.98Å; E77-R81 WeakPolarHBondContact O-CB 3.45Å; E77-R81 PolarHBondContact O-N 3.3Å
78L82.5Confident84.2Confident110 Ų110108.3 Ų108.358%0.57652%0.518SS*.Hα-helixtrans-72-40.6174-69.8170.6000112.4Q74 T75 K76 R81 C82Q74-L78 WeakPolarHBondContact O-CB 3.14Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.06Å; Q74-L78 PolarHBondContact O-N 3.22Å; T75-L78 PolarHBondContact O-N 3.16Å; K76-L78 PolarHBondContact O-N 3.42Å; L78-R81 PolarHBondContact O-N 3.36Å; L78-C82 VanDerWaalsContact O-CB 3.26Å; L78-C82 WeakPolarHBondContact O-CB 3.1Å; L78-C82 PolarHBondContact O-N 3.28Å; L78-C82 PolarHBondContact O-SG 3.47Å; L78-C82 VanDerWaalsContact O-SG 3.35Å
79E84.8Confident83.8Confident122 Ų122109.5 Ų109.557%0.5752%0.523SS*.Hα-helixtrans-61.5-48.1175.2-76.2174163.700111.9T75 K76 C82 H83T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.26Å; T75-E79 WeakPolarHBondContact O-CG 3.44Å; T75-E79 PolarHBondContact O-N 3.24Å; K76-E79 PolarHBondContact O-N 2.81Å; E79-C82 PolarHBondContact O-N 3.41Å; E79-H83 PolarHBondContact O-N 2.99Å
80E85.5Confident83.6Confident142 Ų142112 Ų11266%0.66453%0.534SS*.Hα-helixtrans-61.9-45.2176-72-178.6176.800111.2K76 C82 H83 D84K76-E80 WeakPolarHBondContact O-CG 3.28Å; K76-E80 PolarHBondContact O-N 3.42Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.48Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.93Å; E80-D84 PolarHBondContact O-N 3.24Å
81R84.6Confident83.4Confident180 Ų180113.5 Ų113.568%0.67954%0.537SS*.Hα-helixtrans-66.9-33.1178.3-168.9170.9-173.3153.4-1.8112.9E77 L78 L85E77-R81 WeakPolarHBondContact O-CB 3.45Å; E77-R81 PolarHBondContact O-N 3.3Å; L78-R81 PolarHBondContact O-N 3.36Å; R81-L85 WeakPolarHBondContact O-CB 3.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 3.15Å
82C80Confident83.2Confident80 Ų80112 Ų11254%0.54153%0.534SS..Hα-helixtrans-68.1-40.8170.6-81.50000111.8L78 E79 E80 L85 Q86L78-C82 VanDerWaalsContact O-CB 3.26Å; L78-C82 WeakPolarHBondContact O-CB 3.1Å; L78-C82 PolarHBondContact O-N 3.28Å; L78-C82 PolarHBondContact O-SG 3.47Å; L78-C82 VanDerWaalsContact O-SG 3.35Å; E79-C82 PolarHBondContact O-N 3.41Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.48Å; C82-L85 PolarHBondContact O-N 3Å; C82-Q86 WeakPolarHBondContact O-CB 3.4Å; C82-Q86 PolarHBondContact O-N 3.38Å
83H84.1Confident82.9Confident113 Ų113109.5 Ų109.552%0.52353%0.531SS..Hα-helixtrans-63.3-44.4175.8-172.269000111.8E79 E80 L85 Q86 K87E79-H83 PolarHBondContact O-N 2.99Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.93Å; H83-L85 PolarHBondContact O-N 3.37Å; H83-Q86 PolarHBondContact O-N 3.48Å; H83-K87 WeakPolarHBondContact O-CB 3.35Å; H83-K87 PolarHBondContact O-N 2.88Å
84D85.9Confident82.7Confident89 Ų89109.1 Ų109.148%0.47653%0.529SS..Hα-helixtrans-63.5-38.2176.1-112.822.5000112.9E80 K88E80-D84 PolarHBondContact O-N 3.24Å; D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.32Å; D84-K88 PolarHBondContact O-N 3.39Å; D84-K88 VanDerWaalsContact O-N 3.14Å
85L81.2Confident82.4Confident80 Ų80109.1 Ų109.142%0.41953%0.532SS..Hα-helixtrans-67.7-46.4173.2-78.4168.7000111.5R81 C82 H83 K87 K88 Y89R81-L85 WeakPolarHBondContact O-CB 3.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 3.15Å; C82-L85 PolarHBondContact O-N 3Å; H83-L85 PolarHBondContact O-N 3.37Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.83Å; L85-K88 PolarHBondContact O-N 2.87Å; L85-K88 VanDerWaalsContact O-N 3.16Å; L85-Y89 HydrophobicContact CB-CE2 4.48Å; L85-Y89 HydrophobicContact CD2-CE2 4.42Å; L85-Y89 WeakPolarHBondContact O-CD2 3.45Å; L85-Y89 PolarHBondContact O-N 2.87Å
86Q81.9Confident82.2Confident124 Ų124111 Ų11158%0.57954%0.539SS*.Hα-helixtrans-56.6-46.6177.1-178.9175.9-10.600111C82 H83 K88 Y89 E90C82-Q86 WeakPolarHBondContact O-CB 3.4Å; C82-Q86 PolarHBondContact O-N 3.38Å; H83-Q86 PolarHBondContact O-N 3.48Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.44Å; Q86-Y89 PolarHBondContact O-N 3.46Å; Q86-E90 WeakPolarHBondContact O-CB 3.41Å; Q86-E90 PolarHBondContact O-N 3.24Å
87K82.9Confident81.9Confident116 Ų116109.5 Ų109.550%0.50454%0.539SS..Hα-helixtrans-63.7-33.7178.6-162.3172.2-171.9173.40113.2H83 L85 N91H83-K87 WeakPolarHBondContact O-CB 3.35Å; H83-K87 PolarHBondContact O-N 2.88Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.83Å; K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 2.72Å; K87-N91 VanDerWaalsContact O-N 3.11Å
88K81.5Confident81.6Confident124 Ų124106.2 Ų106.254%0.53953%0.529SS..Hα-helixtrans-69.7-42.9171.6-76.2167.2-177.4162.70112.3D84 L85 Q86 N92D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.32Å; D84-K88 PolarHBondContact O-N 3.39Å; D84-K88 VanDerWaalsContact O-N 3.14Å; L85-K88 PolarHBondContact O-N 2.87Å; L85-K88 VanDerWaalsContact O-N 3.16Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.44Å; K88-N92 WeakPolarHBondContact O-CB 3.27Å; K88-N92 PolarHBondContact O-N 3.01Å
89Y79.9Confident81.4Confident161 Ų161105.6 Ų105.663%0.63152%0.524SS*.Hα-helixtrans-67.1-38176.2-76.4-63.5000112.5L85 Q86 N92 A93L85-Y89 HydrophobicContact CB-CE2 4.48Å; L85-Y89 HydrophobicContact CD2-CE2 4.42Å; L85-Y89 WeakPolarHBondContact O-CD2 3.45Å; L85-Y89 PolarHBondContact O-N 2.87Å; Q86-Y89 PolarHBondContact O-N 3.46Å; Y89-N92 PolarHBondContact O-N 2.77Å; Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.32Å
90E81.7Confident81.2Confident113 Ų113103.8 Ų103.853%0.52852%0.521SS..Hα-helixtrans-65.5-44.6176.3-169.8164.1-145.100111.5Q86 N92 A93 N94Q86-E90 WeakPolarHBondContact O-CB 3.41Å; Q86-E90 PolarHBondContact O-N 3.24Å; E90-N92 PolarHBondContact O-N 2.87Å; E90-A93 PolarHBondContact O-N 2.91Å; E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.92Å; E90-N94 PolarHBondContact O-ND2 3.17Å; E90-N94 VanDerWaalsContact O-ND2 3.14Å
91N81.8Confident80.9Confident93 Ų93103.3 Ų103.350%0.49752%0.516SS..Hα-helixtrans-62-40.9171.5-80.8-6.1000112.8K87 N94 N95K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 2.72Å; K87-N91 VanDerWaalsContact O-N 3.11Å; N91-N94 PolarHBondContact O-N 3.28Å; N91-N95 WeakPolarHBondContact O-CB 3.31Å; N91-N95 PolarHBondContact O-N 3.14Å; N91-N95 PolarHBondContact O-ND2 3.15Å
92N79.6Confident80.7Confident93 Ų9399.5 Ų99.550%0.49751%0.506SS..Hα-helixtrans-67-39.2176.1-81.9-2.8000112.5K88 Y89 E90 N95 L96K88-N92 WeakPolarHBondContact O-CB 3.27Å; K88-N92 PolarHBondContact O-N 3.01Å; Y89-N92 PolarHBondContact O-N 2.77Å; E90-N92 PolarHBondContact O-N 2.87Å; N92-N95 PolarHBondContact O-N 3.41Å; N92-L96 WeakPolarHBondContact O-CB 3.27Å; N92-L96 VanDerWaalsContact O-CG 3.3Å; N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 3.07Å
93A79.9Confident80.7Confident51 Ų51103.8 Ų103.842%0.42151%0.511SS..Hα-helixtrans-65.3-40.4175.700000111.7Y89 E90 T97Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.32Å; E90-A93 PolarHBondContact O-N 2.91Å; A93-T97 WeakPolarHBondContact O-CB 3.45Å; A93-T97 PolarHBondContact O-N 2.77Å; A93-T97 PolarHBondContact O-OG1 3.44Å
94N79.8Confident80.5Confident90 Ų90103 Ų10348%0.48151%0.511SS..Hα-helixtrans-62-50.8172.8-73.1-33.7000111.2E90 N91 L96 T97 T98E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.92Å; E90-N94 PolarHBondContact O-ND2 3.17Å; E90-N94 VanDerWaalsContact O-ND2 3.14Å; N91-N94 PolarHBondContact O-N 3.28Å; N94-L96 PolarHBondContact O-N 3.35Å; N94-T97 WeakPolarHBondContact O-CA 3.3Å; N94-T97 WeakPolarHBondContact O-CB 3.37Å; N94-T97 PolarHBondContact O-N 3.03Å; N94-T98 PolarHBondContact O-N 3.26Å; N94-T98 PolarHBondContact O-OG1 2.89Å
95N79.5Confident80.3Confident95 Ų95104.7 Ų104.751%0.50852%0.516SS..Hα-helixtrans-58.7-43.5177.9-71.7-16.8000112.7N91 N92 T97 T98 M99N91-N95 WeakPolarHBondContact O-CB 3.31Å; N91-N95 PolarHBondContact O-N 3.14Å; N91-N95 PolarHBondContact O-ND2 3.15Å; N92-N95 PolarHBondContact O-N 3.41Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.3Å; N95-T98 PolarHBondContact O-N 3.44Å; N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.96Å
96L78.4Confident80.3Confident111 Ų111105.7 Ų105.758%0.58152%0.521SS*.Hα-helixtrans-62.2-35.8174.2-75.2167.3000111.8N92 N94 M99 V100N92-L96 WeakPolarHBondContact O-CB 3.27Å; N92-L96 VanDerWaalsContact O-CG 3.3Å; N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 3.07Å; N94-L96 PolarHBondContact O-N 3.35Å; L96-M99 PolarHBondContact O-N 3.1Å; L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.19Å
97T79.1Confident80.1Confident76 Ų76104 Ų10447%0.46652%0.516SS..Hα-helixtrans-68.2-35.9176.1-56.50000112.1A93 N94 N95 K101A93-T97 WeakPolarHBondContact O-CB 3.45Å; A93-T97 PolarHBondContact O-N 2.77Å; A93-T97 PolarHBondContact O-OG1 3.44Å; N94-T97 WeakPolarHBondContact O-CA 3.3Å; N94-T97 WeakPolarHBondContact O-CB 3.37Å; N94-T97 PolarHBondContact O-N 3.03Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.3Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 2.97Å
98T78.5Confident80Confident68 Ų68101.3 Ų101.342%0.41752%0.515SS..Hα-helixtrans-67-49.8171.8-20.20000110.8N94 N95 V100 K101 E102N94-T98 PolarHBondContact O-N 3.26Å; N94-T98 PolarHBondContact O-OG1 2.89Å; N95-T98 PolarHBondContact O-N 3.44Å; T98-V100 VanDerWaalsContact C-N 3.25Å; T98-V100 PolarHBondContact O-N 3.19Å; T98-K101 WeakPolarHBondContact O-CB 3.22Å; T98-K101 PolarHBondContact O-N 3.17Å; T98-E102 WeakPolarHBondContact CG2-OE1 3.34Å; T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 3.27Å
99M79.4Confident79.9Confident96 Ų96100.8 Ų100.847%0.47351%0.513SS..Hα-helixtrans-60-31.2179.1-70.6-177.773.900113.8N95 L96 E102 R103N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.96Å; L96-M99 PolarHBondContact O-N 3.1Å; M99-E102 WeakPolarHBondContact CA-OE2 3.44Å; M99-R103 WeakPolarHBondContact O-CB 3.49Å; M99-R103 WeakPolarHBondContact O-CG 3.31Å; M99-R103 PolarHBondContact O-N 2.86Å; M99-R103 VanDerWaalsContact O-N 3.07Å
100V79.2Confident79.9Confident84 Ų8498.9 Ų98.951%0.50951%0.511SS..Hα-helixtrans-69.3-45172.71670000110.9L96 T98 R103 D104L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.19Å; T98-V100 VanDerWaalsContact C-N 3.25Å; T98-V100 PolarHBondContact O-N 3.19Å; V100-R103 PolarHBondContact O-N 3.34Å; V100-D104 PolarHBondContact O-N 2.81Å
101K80.6Confident79.8Confident132 Ų132100.2 Ų100.257%0.57452%0.515SS*.Hα-helixtrans-62.9-44.8176.1-71.8177177.6-179.90112.5T97 T98 R103 D104 E105T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 2.97Å; T98-K101 WeakPolarHBondContact O-CB 3.22Å; T98-K101 PolarHBondContact O-N 3.17Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 3.48Å; K101-D104 PolarHBondContact O-N 3.27Å; K101-D104 VanDerWaalsContact O-N 3.15Å; K101-E105 PolarHBondContact O-N 3.45Å
102E80.5Confident79.7Confident100 Ų10098.4 Ų98.447%0.46751%0.509SS..Hα-helixtrans-58-41.2175.2-69.8155.1-162.600110.9T98 M99 L106T98-E102 WeakPolarHBondContact CG2-OE1 3.34Å; T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 3.27Å; M99-E102 WeakPolarHBondContact CA-OE2 3.44Å; E102-L106 WeakPolarHBondContact O-CB 3.21Å; E102-L106 WeakPolarHBondContact O-CG 3.45Å; E102-L106 PolarHBondContact O-N 3.49Å
103R78.4Confident79.6Confident171 Ų17199.2 Ų99.265%0.64551%0.51SS*.Hα-helixtrans-69.4-36.3173.8-84.6-174.4151138.5-1.1114.1M99 V100 K101 L107M99-R103 WeakPolarHBondContact O-CB 3.49Å; M99-R103 WeakPolarHBondContact O-CG 3.31Å; M99-R103 PolarHBondContact O-N 2.86Å; M99-R103 VanDerWaalsContact O-N 3.07Å; V100-R103 PolarHBondContact O-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 3.48Å; R103-L107 VanDerWaalsContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CB 3.34Å; R103-L107 WeakPolarHBondContact O-CG 3.45Å; R103-L107 PolarHBondContact O-N 3.1Å
104D81.1Confident79.6Confident96 Ų96104.6 Ų104.651%0.51352%0.52SS..Hα-helixtrans-68.9-38.7175.6-79.3-29.4000111.5V100 K101 L107 A108V100-D104 PolarHBondContact O-N 2.81Å; K101-D104 PolarHBondContact O-N 3.27Å; K101-D104 VanDerWaalsContact O-N 3.15Å; D104-L107 PolarHBondContact O-N 3.27Å; D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 3.42Å
105E82.5Confident79.8Confident125 Ų125106.6 Ų106.658%0.58453%0.526SS*.Hα-helixtrans-68.5-39.6173.1-72.7-173.1-164.300112.2K101 A108 K109K101-E105 PolarHBondContact O-N 3.45Å; E105-A108 PolarHBondContact O-N 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 3.33Å
106L80.1Confident79.8Confident101 Ų101106.8 Ų106.853%0.52953%0.527SS..Hα-helixtrans-63.4-39.6169.9-81.6166.1000111.9E102 A108 K109 M110E102-L106 WeakPolarHBondContact O-CB 3.21Å; E102-L106 WeakPolarHBondContact O-CG 3.45Å; E102-L106 PolarHBondContact O-N 3.49Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.45Å; L106-K109 PolarHBondContact O-N 3.07Å; L106-M110 VanDerWaalsContact O-CB 3.24Å; L106-M110 WeakPolarHBondContact O-CB 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.35Å; L106-M110 PolarHBondContact O-N 3.49Å
107L78.4Confident79.8Confident88 Ų88106.9 Ų106.946%0.46153%0.527SS..Hα-helixtrans-65.6-34173.9-90.8164.9000112.4R103 D104 K111R103-L107 VanDerWaalsContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CB 3.34Å; R103-L107 WeakPolarHBondContact O-CG 3.45Å; R103-L107 PolarHBondContact O-N 3.1Å; D104-L107 PolarHBondContact O-N 3.27Å; L107-K111 WeakPolarHBondContact O-CB 3.19Å; L107-K111 WeakPolarHBondContact O-CD 3.46Å; L107-K111 WeakPolarHBondContact O-CG 3.26Å; L107-K111 PolarHBondContact O-N 3.32Å
108A80.9Confident80Confident59 Ų59108 Ų10849%0.48853%0.527SS..Hα-helixtrans-67.9-47.2172.900000111.5D104 E105 L106 K111 S112D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 3.24Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.45Å; A108-K111 PolarHBondContact O-N 3.36Å; A108-S112 PolarHBondContact O-N 2.96Å
109K78.8Confident80.2Confident114 Ų114109 Ų10950%0.49653%0.53SS..Hα-helixtrans-57.6-54.2174-73.5171.1179.41700111E105 L106 K111 S112 E113E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 3.33Å; L106-K109 PolarHBondContact O-N 3.07Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.44Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 WeakPolarHBondContact O-CA 3.47Å; K109-S112 PolarHBondContact O-N 3.18Å; K109-S112 PolarHBondContact O-OG 3.01Å; K109-E113 PolarHBondContact O-N 3.01Å
110M79.4Confident80.3Confident120 Ų120108.7 Ų108.759%0.59153%0.529SS*.Hα-helixtrans-57.3-34.4177.6-73.5-78-74.700113.4L106 R114L106-M110 VanDerWaalsContact O-CB 3.24Å; L106-M110 WeakPolarHBondContact O-CB 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.35Å; L106-M110 PolarHBondContact O-N 3.49Å; M110-R114 VanDerWaalsContact O-CB 3.25Å; M110-R114 WeakPolarHBondContact O-CB 3.49Å; M110-R114 PolarHBondContact O-N 2.67Å
111K80.8Confident80.3Confident142 Ų142107 Ų10762%0.61752%0.521SS*.Hα-helixtrans-67.7-45.2172.2-78.4168.6-172.3172.70111.8L107 A108 K109 R114 E115L107-K111 WeakPolarHBondContact O-CB 3.19Å; L107-K111 WeakPolarHBondContact O-CD 3.46Å; L107-K111 WeakPolarHBondContact O-CG 3.26Å; L107-K111 PolarHBondContact O-N 3.32Å; A108-K111 PolarHBondContact O-N 3.36Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.44Å; K111-R114 PolarHBondContact O-N 2.75Å; K111-E115 WeakPolarHBondContact O-CB 3.27Å; K111-E115 PolarHBondContact O-N 2.89Å
112S78.7Confident80.4Confident54 Ų54105.2 Ų105.238%0.37852%0.515SS..Hα-helixtrans-68-33.6177.673.50000113.2A108 K109 N116A108-S112 PolarHBondContact O-N 2.96Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 WeakPolarHBondContact O-CA 3.47Å; K109-S112 PolarHBondContact O-N 3.18Å; K109-S112 PolarHBondContact O-OG 3.01Å; S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 PolarHBondContact O-N 2.79Å; S112-N116 PolarHBondContact O-ND2 3.48Å
113E78.1Confident80.5Confident110 Ų110104.8 Ų104.851%0.51451%0.513SS..Hα-helixtrans-71.1-42.3173.3-72.8-177.4166.500110.9K109 E115 N116 I117K109-E113 PolarHBondContact O-N 3.01Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.88Å; E113-N116 PolarHBondContact O-N 3.29Å; E113-I117 WeakPolarHBondContact O-CB 3.22Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.35Å; E113-I117 PolarHBondContact O-N 2.83Å
114R79.2Confident80.6Confident165 Ų165104.4 Ų104.462%0.62351%0.511SS*.Hα-helixtrans-57.3-47.9170.4177.9-179.7168.1164.61.2111.2M110 K111 N116 I117 E118M110-R114 VanDerWaalsContact O-CB 3.25Å; M110-R114 WeakPolarHBondContact O-CB 3.49Å; M110-R114 PolarHBondContact O-N 2.67Å; K111-R114 PolarHBondContact O-N 2.75Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.76Å; R114-I117 CarbonylContact O-C 3.57Å; R114-I117 PolarHBondContact O-N 3.35Å; R114-E118 IonicContact CZ-OE2 3.12Å; R114-E118 IonicContact NE-OE2 3.91Å; R114-E118 PolarHBondContact NE-OE2 2.75Å; R114-E118 IonicContact NH2-OE1 3.7Å; R114-E118 IonicContact NH2-OE2 2.75Å; R114-E118 PolarHBondContact NH2-OE2 3.12Å; R114-E118 VanDerWaalsContact O-CB 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.4Å; R114-E118 PolarHBondContact O-N 2.85Å
115E83.3Confident80.7Confident132 Ų132105.6 Ų105.662%0.61751%0.512SS*.Hα-helixtrans-62.6-39.8179.7-172.7169.6-163.400111.7K111 E113 E118 N119K111-E115 WeakPolarHBondContact O-CB 3.27Å; K111-E115 PolarHBondContact O-N 2.89Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.88Å; E115-E118 PolarHBondContact O-N 3.39Å; E115-N119 WeakPolarHBondContact O-CB 3.46Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 PolarHBondContact O-ND2 3.36Å
116N79.9Confident80.7Confident98 Ų98105.9 Ų105.952%0.52451%0.508SS..Hα-helixtrans-64.9-42.9171.3-82.3-50.4000112.8S112 E113 R114 E118 N119 I120S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 PolarHBondContact O-N 2.79Å; S112-N116 PolarHBondContact O-ND2 3.48Å; E113-N116 PolarHBondContact O-N 3.29Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.76Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.34Å; N116-N119 PolarHBondContact O-N 3.11Å; N116-I120 WeakPolarHBondContact O-CB 3.42Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.79Å
117I79.6Confident80.7Confident114 Ų114106.6 Ų106.659%0.58551%0.508SS*.Hα-helixtrans-65.8-36.8177.1-71164.3000111E113 R114 I120 S121E113-I117 WeakPolarHBondContact O-CB 3.22Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.35Å; E113-I117 PolarHBondContact O-N 2.83Å; R114-I117 CarbonylContact O-C 3.57Å; R114-I117 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 3.06Å; I117-S121 WeakPolarHBondContact O-CB 3.5Å; I117-S121 PolarHBondContact O-N 3.43Å
118E83Confident80.7Confident100 Ų100106.7 Ų106.747%0.46751%0.508SS..Hα-helixtrans-70.1-42.6178.4-159.7137.4-157.100109.8R114 E115 N116 S121 E122R114-E118 IonicContact CZ-OE2 3.12Å; R114-E118 IonicContact NE-OE2 3.91Å; R114-E118 PolarHBondContact NE-OE2 2.75Å; R114-E118 IonicContact NH2-OE1 3.7Å; R114-E118 IonicContact NH2-OE2 2.75Å; R114-E118 PolarHBondContact NH2-OE2 3.12Å; R114-E118 VanDerWaalsContact O-CB 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.4Å; R114-E118 PolarHBondContact O-N 2.85Å; E115-E118 PolarHBondContact O-N 3.39Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.34Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.35Å; E118-E122 PolarHBondContact O-N 2.82Å
119N82.5Confident80.7Confident88 Ų88110.5 Ų110.547%0.47152%0.518SS..Hα-helixtrans-62.3-44.8169.8-79.2-57.1000113.4E115 N116 S121 E122 E123E115-N119 WeakPolarHBondContact O-CB 3.46Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 PolarHBondContact O-ND2 3.36Å; N116-N119 PolarHBondContact O-N 3.11Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.45Å; N119-E122 PolarHBondContact O-N 3.44Å; N119-E123 PolarHBondContact O-N 3.33Å
120I81Confident80.9Confident89 Ų89112 Ų11246%0.45652%0.524SS..Hα-helixtrans-66.1-34.4175.8-70.1164.4000110.7N116 I117 R124N116-I120 WeakPolarHBondContact O-CB 3.42Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.79Å; I117-I120 PolarHBondContact O-N 3.06Å; I120-R124 HydrophobicContact CG2-CG 4.4Å; I120-R124 VanDerWaalsContact O-CB 3.26Å; I120-R124 WeakPolarHBondContact O-CB 3.41Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.76Å
121S79.7Confident80.9Confident49 Ų49111.6 Ų111.634%0.34352%0.522SS..Hα-helixtrans-64.4-42.7173-172.30000111.1I117 E118 N119 K125I117-S121 WeakPolarHBondContact O-CB 3.5Å; I117-S121 PolarHBondContact O-N 3.43Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.35Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.45Å; S121-K125 WeakPolarHBondContact O-CB 3.19Å; S121-K125 WeakPolarHBondContact O-CD 3.11Å; S121-K125 WeakPolarHBondContact O-CG 3.28Å; S121-K125 PolarHBondContact O-N 2.58Å; S121-K125 WeakPolarHBondContact OG-CE 3.21Å; S121-K125 PolarHBondContact OG-NZ 3.45Å
122E82.9Confident80.8Confident95 Ų95110 Ų11044%0.44452%0.52SS..Hα-helixtrans-64.9-46.3173.6-71.8-147159.700113.3E118 N119 R124 K125 R126E118-E122 PolarHBondContact O-N 2.82Å; N119-E122 PolarHBondContact O-N 3.44Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; E122-K125 CarbonylContact O-C 3.51Å; E122-K125 WeakPolarHBondContact O-CA 3.44Å; E122-K125 WeakPolarHBondContact O-CB 3.27Å; E122-K125 PolarHBondContact O-N 3.24Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-R126 WeakPolarHBondContact O-CG 3.39Å; E122-R126 PolarHBondContact O-N 3.33Å; E122-R126 IonicContact OE2-NH2 3.83Å; E122-R126 PolarHBondContact OE2-NH2 3.31Å
123E82.7Confident80.9Confident91 Ų91114.6 Ų114.643%0.42553%0.533SS..Hα-helixtrans-66.4-37.8179.6-166.656.3-141.600111.3N119 R126 Q127N119-E123 PolarHBondContact O-N 3.33Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.91Å; E123-R126 WeakPolarHBondContact OE2-CD 3.46Å; E123-R126 IonicContact OE2-CZ 3.65Å; E123-R126 IonicContact OE2-NE 2.68Å; E123-R126 IonicContact OE2-NH1 3.58Å; E123-R126 PolarHBondContact OE2-NH1 3.34Å; E123-Q127 PolarHBondContact O-N 2.82Å
124R80.9Confident81Confident163 Ų163114.5 Ų114.562%0.61553%0.533SS*.Hα-helixtrans-63.1-38.8169.3-75.2-179.5176.2-166.20112.2I120 E122 R126 Q127 I128I120-R124 HydrophobicContact CG2-CG 4.4Å; I120-R124 VanDerWaalsContact O-CB 3.26Å; I120-R124 WeakPolarHBondContact O-CB 3.41Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.76Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R124-Q127 PolarHBondContact O-N 3.15Å; R124-I128 WeakPolarHBondContact O-CB 3.41Å; R124-I128 WeakPolarHBondContact O-CD1 3.43Å; R124-I128 WeakPolarHBondContact O-CG1 3.25Å; R124-I128 PolarHBondContact O-N 3.1Å
125K82.1Confident80.8Confident121 Ų121109.9 Ų109.953%0.52652%0.523SS..Hα-helixtrans-62.1-40.2172.3-74.2163.6-165.5165.50111.5S121 E122 M129S121-K125 WeakPolarHBondContact O-CB 3.19Å; S121-K125 WeakPolarHBondContact O-CD 3.11Å; S121-K125 WeakPolarHBondContact O-CG 3.28Å; S121-K125 PolarHBondContact O-N 2.58Å; S121-K125 WeakPolarHBondContact OG-CE 3.21Å; S121-K125 PolarHBondContact OG-NZ 3.45Å; E122-K125 CarbonylContact O-C 3.51Å; E122-K125 WeakPolarHBondContact O-CA 3.44Å; E122-K125 WeakPolarHBondContact O-CB 3.27Å; E122-K125 PolarHBondContact O-N 3.24Å; E122-K125 VanDerWaalsContact O-N 3.1Å; K125-M129 VanDerWaalsContact O-CB 3.26Å; K125-M129 WeakPolarHBondContact O-CB 3.47Å; K125-M129 PolarHBondContact O-N 2.89Å
126R82.3Confident80.6Confident130 Ų130107 Ų10749%0.49152%0.518SS..Hα-helixtrans-64.6-44.6174.9-65169-157162.83111.7E122 E123 R124 M129 K130E122-R126 WeakPolarHBondContact O-CG 3.39Å; E122-R126 PolarHBondContact O-N 3.33Å; E122-R126 IonicContact OE2-NH2 3.83Å; E122-R126 PolarHBondContact OE2-NH2 3.31Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.91Å; E123-R126 WeakPolarHBondContact OE2-CD 3.46Å; E123-R126 IonicContact OE2-CZ 3.65Å; E123-R126 IonicContact OE2-NE 2.68Å; E123-R126 IonicContact OE2-NH1 3.58Å; E123-R126 PolarHBondContact OE2-NH1 3.34Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R126-M129 PolarHBondContact O-N 3.34Å; R126-K130 PolarHBondContact O-N 3.46Å
127Q79.7Confident80.6Confident116 Ų116106.1 Ų106.154%0.54251%0.513SS..Hα-helixtrans-62.6-46.5174.1-86.1-175.1-2300112.4E123 R124 M129 K130 M131E123-Q127 PolarHBondContact O-N 2.82Å; R124-Q127 PolarHBondContact O-N 3.15Å; Q127-M129 VanDerWaalsContact C-N 3.3Å; Q127-M129 PolarHBondContact O-N 3.17Å; Q127-K130 WeakPolarHBondContact O-CB 3.43Å; Q127-K130 PolarHBondContact O-N 2.98Å; Q127-M131 WeakPolarHBondContact O-CG 3.27Å; Q127-M131 PolarHBondContact O-N 3.23Å
128I79.8Confident80.5Confident90 Ų90105.2 Ų105.246%0.46251%0.512SS..Hα-helixtrans-60.4-41.1175.4-70.7164.4000110.3R124 K130 M131 L132R124-I128 WeakPolarHBondContact O-CB 3.41Å; R124-I128 WeakPolarHBondContact O-CD1 3.43Å; R124-I128 WeakPolarHBondContact O-CG1 3.25Å; R124-I128 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.32Å; I128-M131 PolarHBondContact O-N 3.28Å; I128-L132 HydrophobicContact CG2-CD1 3.8Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 2.88Å
129M80.9Confident80.1Confident139 Ų139108 Ų10869%0.68552%0.518SS*.Hα-helixtrans-67.6-34.3177.7-165176.2-68.200112.8K125 R126 Q127 K133K125-M129 VanDerWaalsContact O-CB 3.26Å; K125-M129 WeakPolarHBondContact O-CB 3.47Å; K125-M129 PolarHBondContact O-N 2.89Å; R126-M129 PolarHBondContact O-N 3.34Å; Q127-M129 VanDerWaalsContact C-N 3.3Å; Q127-M129 PolarHBondContact O-N 3.17Å; M129-K133 PolarHBondContact O-N 3.39Å
130K81.7Confident80.1Confident145 Ų145109.7 Ų109.763%0.6352%0.524SS*.Hα-helixtrans-62.8-54.2167.1-85.7-175173.2179.50111.5R126 Q127 I128 L132 K133 E134R126-K130 PolarHBondContact O-N 3.46Å; Q127-K130 WeakPolarHBondContact O-CB 3.43Å; Q127-K130 PolarHBondContact O-N 2.98Å; I128-K130 PolarHBondContact O-N 3.32Å; K130-L132 VanDerWaalsContact C-N 3.28Å; K130-L132 PolarHBondContact O-N 2.89Å; K130-K133 WeakPolarHBondContact O-CA 3.44Å; K130-K133 WeakPolarHBondContact O-CB 3.25Å; K130-K133 PolarHBondContact O-N 3.08Å; K130-E134 PolarHBondContact O-N 2.87Å
131M79.5Confident80Confident112 Ų112112.4 Ų112.455%0.55253%0.532SS*.Hα-helixtrans-61.6-34.5-178.7-69.2-158.1-54.900112.6Q127 I128 E134 T135Q127-M131 WeakPolarHBondContact O-CG 3.27Å; Q127-M131 PolarHBondContact O-N 3.23Å; I128-M131 PolarHBondContact O-N 3.28Å; M131-E134 PolarHBondContact O-N 3.32Å; M131-T135 WeakPolarHBondContact O-CB 3.5Å; M131-T135 PolarHBondContact O-N 3.32Å; M131-T135 PolarHBondContact O-OG1 3.48Å
132L80Confident79.9Confident110 Ų110114.4 Ų114.458%0.57654%0.538SS*.Hα-helixtrans-65.8-39.3173-75.5171.1000111.9I128 K130 T135 S136I128-L132 HydrophobicContact CG2-CD1 3.8Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 2.88Å; K130-L132 VanDerWaalsContact C-N 3.28Å; K130-L132 PolarHBondContact O-N 2.89Å; L132-T135 PolarHBondContact O-N 3.2Å; L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.13Å
133K80.8Confident79.7Confident149 Ų149114.2 Ų114.265%0.64854%0.541SS*.Hα-helixtrans-68-40.6175.2-168.2173.7-175.6176.60111.8M129 K130 S136 N137M129-K133 PolarHBondContact O-N 3.39Å; K130-K133 WeakPolarHBondContact O-CA 3.44Å; K130-K133 WeakPolarHBondContact O-CB 3.25Å; K130-K133 PolarHBondContact O-N 3.08Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.24Å; K133-N137 VanDerWaalsContact O-CG 3.24Å; K133-N137 PolarHBondContact O-N 2.87Å; K133-N137 PolarHBondContact O-OD1 2.8Å
134E79.8Confident79.6Confident109 Ų109116 Ų11651%0.50955%0.552SS.*Hα-helixtrans-66-42173.8-71.9161.3-164.900111.5K130 M131 S136 N137 V138K130-E134 PolarHBondContact O-N 2.87Å; M131-E134 PolarHBondContact O-N 3.32Å; E134-S136 VanDerWaalsContact C-N 3.3Å; E134-S136 PolarHBondContact O-N 3.33Å; E134-N137 PolarHBondContact O-N 3.42Å; E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.94Å
135T74.8Confident79.4Confident68 Ų68114.8 Ų114.842%0.41755%0.554SS.*Hα-helixtrans-61.9-37.4173.2-59.20000111.6M131 L132 V138 R139M131-T135 WeakPolarHBondContact O-CB 3.5Å; M131-T135 PolarHBondContact O-N 3.32Å; M131-T135 PolarHBondContact O-OG1 3.48Å; L132-T135 PolarHBondContact O-N 3.2Å; T135-V138 PolarHBondContact O-N 3.35Å; T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.34Å; T135-R139 PolarHBondContact O-N 3.04Å
136S79.9Confident79.2Confident72 Ų72112.9 Ų112.950%0.50355%0.548SS..Hα-helixtrans-63-48.7173.2-166.30000111.3L132 K133 E134 V138 R139 E140L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.13Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.24Å; E134-S136 VanDerWaalsContact C-N 3.3Å; E134-S136 PolarHBondContact O-N 3.33Å; S136-V138 VanDerWaalsContact C-N 3.28Å; S136-V138 PolarHBondContact O-N 3.42Å; S136-R139 PolarHBondContact O-N 3.08Å; S136-R139 VanDerWaalsContact O-N 3.17Å; S136-E140 PolarHBondContact O-N 3.23Å
137N80Confident79.1Confident78 Ų78108.1 Ų108.142%0.41754%0.54SS..Hα-helixtrans-64.1-31.6178.2-64.2-7.2000112.7K133 E134 K141K133-N137 VanDerWaalsContact O-CG 3.24Å; K133-N137 PolarHBondContact O-N 2.87Å; K133-N137 PolarHBondContact O-OD1 2.8Å; E134-N137 PolarHBondContact O-N 3.42Å; N137-K141 WeakPolarHBondContact O-CG 3.41Å; N137-K141 PolarHBondContact O-N 2.93Å
138V77Confident79.1Confident96 Ų96111.1 Ų111.158%0.58255%0.546SS*.Hα-helixtrans-74.8-38.5173.8170.60000111E134 T135 S136 K141 L142E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.94Å; T135-V138 PolarHBondContact O-N 3.35Å; S136-V138 VanDerWaalsContact C-N 3.28Å; S136-V138 PolarHBondContact O-N 3.42Å; V138-K141 PolarHBondContact O-N 2.74Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 PolarHBondContact O-N 3.17Å
139R75.2Confident78.7Confident157 Ų157109.8 Ų109.859%0.59255%0.545SS*.Hα-helixtrans-66-45.4177.4-166.6174.4-61.5-163.20.3111.6T135 S136 K141 L142 D143T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.34Å; T135-R139 PolarHBondContact O-N 3.04Å; S136-R139 PolarHBondContact O-N 3.08Å; S136-R139 VanDerWaalsContact O-N 3.17Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.13Å; R139-L142 CarbonylContact O-C 3.52Å; R139-L142 WeakPolarHBondContact O-CA 3.44Å; R139-L142 WeakPolarHBondContact O-CB 3.47Å; R139-L142 PolarHBondContact O-N 3.44Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å
140E80.7Confident78.6Confident124 Ų124109 Ų10958%0.57954%0.541SS*.Hα-helixtrans-57.3-42174.1-177178.7-148.400112.2S136 L144S136-E140 PolarHBondContact O-N 3.23Å; E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.34Å; E140-L144 VanDerWaalsContact O-N 3.08Å
141K80.3Confident78.4Confident146 Ų146108.4 Ų108.464%0.63554%0.541SS*.Hα-helixtrans-65.6-39.5173.2-74.6175.6-179.5-178.30112.7N137 V138 R139 Q145N137-K141 WeakPolarHBondContact O-CG 3.41Å; N137-K141 PolarHBondContact O-N 2.93Å; V138-K141 PolarHBondContact O-N 2.74Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.13Å; K141-Q145 WeakPolarHBondContact O-CB 3.32Å; K141-Q145 PolarHBondContact O-N 2.77Å
142L76.8Confident78.3Confident91 Ų91108.1 Ų108.148%0.47654%0.541SS..Hα-helixtrans-66.1-42.7177.2-176.963.6000111.2V138 R139 Q145 I146V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 PolarHBondContact O-N 3.17Å; R139-L142 CarbonylContact O-C 3.52Å; R139-L142 WeakPolarHBondContact O-CA 3.44Å; R139-L142 WeakPolarHBondContact O-CB 3.47Å; R139-L142 PolarHBondContact O-N 3.44Å; L142-Q145 CarbonylContact O-C 3.53Å; L142-Q145 WeakPolarHBondContact O-CA 3.47Å; L142-Q145 PolarHBondContact O-N 3.5Å; L142-I146 HydrophobicContact CD1-CD1 4.36Å; L142-I146 HydrophobicContact CD1-CG1 4.45Å; L142-I146 HydrophobicContact CG-CD1 3.91Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 VanDerWaalsContact O-CG1 3.32Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.97Å
143D79.3Confident78.1Confident92 Ų92108.9 Ų108.949%0.49254%0.541SS..Hα-helixtrans-64.7-41.1178.4-65.3-31000111.2R139 Q145 I146 G147R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.33Å; D143-I146 PolarHBondContact O-N 2.7Å; D143-G147 PolarHBondContact O-N 3.36Å
144L81Confident77.9Confident127 Ų127104.8 Ų104.867%0.66554%0.535SS*.Hα-helixtrans-60-37.7169.8-75.2168.5000112.5E140 R148E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.34Å; E140-L144 VanDerWaalsContact O-N 3.08Å; L144-R148 PolarHBondContact O-N 3.39Å; L144-R148 VanDerWaalsContact O-N 3.14Å
145Q76.2Confident77.9Confident139 Ų139105.4 Ų105.465%0.6554%0.538SS*.Hα-helixtrans-77.8-34.3-178.8-162.8163.30.500112.4K141 L142 D143 R148 S149K141-Q145 WeakPolarHBondContact O-CB 3.32Å; K141-Q145 PolarHBondContact O-N 2.77Å; L142-Q145 CarbonylContact O-C 3.53Å; L142-Q145 WeakPolarHBondContact O-CA 3.47Å; L142-Q145 PolarHBondContact O-N 3.5Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.33Å; Q145-R148 PolarHBondContact O-N 3.36Å; Q145-S149 PolarHBondContact O-N 2.8Å
146I78.3Confident77.9Confident80 Ų80106.6 Ų106.641%0.4154%0.541SS..Hα-helixtrans-63.9-47.8169.4-71166.7000110.1L142 D143 R148 S149 M150L142-I146 HydrophobicContact CD1-CD1 4.36Å; L142-I146 HydrophobicContact CD1-CG1 4.45Å; L142-I146 HydrophobicContact CG-CD1 3.91Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 VanDerWaalsContact O-CG1 3.32Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.97Å; D143-I146 PolarHBondContact O-N 2.7Å; I146-R148 PolarHBondContact O-N 3.39Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 WeakPolarHBondContact O-CB 3.48Å; I146-S149 PolarHBondContact O-N 2.91Å; I146-M150 HydrophobicContact CG2-CG 4.46Å; I146-M150 HydrophobicContact CG2-SD 4.24Å; I146-M150 WeakPolarHBondContact O-CG 3.44Å; I146-M150 PolarHBondContact O-N 2.75Å
147G79Confident77.7Confident31 Ų31106 Ų10632%0.3254%0.541SS..Hα-helixtrans-56.9-37.6175.700000112.7D143 Q151D143-G147 PolarHBondContact O-N 3.36Å; G147-Q151 WeakPolarHBondContact O-CG 3.19Å; G147-Q151 PolarHBondContact O-N 3.17Å; G147-Q151 VanDerWaalsContact O-N 3.17Å
148R79.2Confident77.6Confident179 Ų179111.7 Ų111.768%0.67556%0.556SS**Hα-helixtrans-70.5-35174.2-148.8173.3-166.3172.53.3112.9L144 Q145 I146 Q151 L152L144-R148 PolarHBondContact O-N 3.39Å; L144-R148 VanDerWaalsContact O-N 3.14Å; Q145-R148 PolarHBondContact O-N 3.36Å; I146-R148 PolarHBondContact O-N 3.39Å; R148-Q151 PolarHBondContact O-N 3.44Å; R148-L152 WeakPolarHBondContact O-CG 3.28Å; R148-L152 PolarHBondContact O-N 3.37Å
149S73.2Confident77.5Confident61 Ų61112.8 Ų112.843%0.42756%0.558SS.*Hα-helixtrans-65.4-44.2173.1-161.60000111.6Q145 I146 Q151 L152 E153Q145-S149 PolarHBondContact O-N 2.8Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 WeakPolarHBondContact O-CB 3.48Å; I146-S149 PolarHBondContact O-N 2.91Å; S149-Q151 VanDerWaalsContact C-N 3.3Å; S149-Q151 PolarHBondContact O-N 2.95Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 3.42Å
150M78.6Confident77.5Confident122 Ų122112 Ų11260%0.60156%0.559SS**Hα-helixtrans-64-33.5177.6-66.4-179.675.200112.5I146 A154I146-M150 HydrophobicContact CG2-CG 4.46Å; I146-M150 HydrophobicContact CG2-SD 4.24Å; I146-M150 WeakPolarHBondContact O-CG 3.44Å; I146-M150 PolarHBondContact O-N 2.75Å; M150-A154 WeakPolarHBondContact O-CB 3.45Å; M150-A154 PolarHBondContact O-N 3.26Å
151Q77.5Confident77.3Confident134 Ų134109 Ų10963%0.62655%0.552SS**Hα-helixtrans-63.8-46.4171.4-74.3172.9-9.400111.7G147 R148 S149 A154 E155G147-Q151 WeakPolarHBondContact O-CG 3.19Å; G147-Q151 PolarHBondContact O-N 3.17Å; G147-Q151 VanDerWaalsContact O-N 3.17Å; R148-Q151 PolarHBondContact O-N 3.44Å; S149-Q151 VanDerWaalsContact C-N 3.3Å; S149-Q151 PolarHBondContact O-N 2.95Å; Q151-A154 PolarHBondContact O-N 3.35Å; Q151-E155 PolarHBondContact O-N 2.96Å
152L77.5Confident77.2Confident105 Ų105105.4 Ų105.455%0.5554%0.542SS..Hα-helixtrans-65.3-38.2177.5-69.9168.5000112.4R148 S149 A154 E155 L156R148-L152 WeakPolarHBondContact O-CG 3.28Å; R148-L152 PolarHBondContact O-N 3.37Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-E155 PolarHBondContact O-N 2.88Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.42Å
153E75Confident76.9Confident126 Ų126105.8 Ų105.859%0.58955%0.545SS*.Hα-helixtrans-64.4-37.8174-73.4-176.5151.500112.2S149 L156 A157S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 2.84Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.07Å
154A77.1Confident76.6Confident63 Ų63105.3 Ų105.352%0.52155%0.545SS..Hα-helixtrans-65.7-39.4174.300000112.4M150 Q151 L152 R158M150-A154 WeakPolarHBondContact O-CB 3.45Å; M150-A154 PolarHBondContact O-N 3.26Å; Q151-A154 PolarHBondContact O-N 3.35Å; L152-A154 VanDerWaalsContact C-N 3.34Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 PolarHBondContact O-N 3.48Å
155E78.3Confident76.1Confident122 Ų122105.5 Ų105.557%0.5754%0.543SS*.Hα-helixtrans-66.1-42.1172.3-70.6-169.4131.400112.1Q151 L152 A157 R158 L159Q151-E155 PolarHBondContact O-N 2.96Å; L152-E155 PolarHBondContact O-N 2.88Å; E155-A157 PolarHBondContact O-N 3.21Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 VanDerWaalsContact O-N 3.15Å; E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.42Å
156L75.7Confident75.8Confident93 Ų93103.9 Ų103.949%0.48754%0.538SS..Hα-helixtrans-66.8-38179.7-150.4167000111.4L152 E153 L159 K160L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.07Å; L156-K160 HydrophobicContact CD2-CD 3.97Å; L156-K160 VanDerWaalsContact CD2-CE 3.46Å; L156-K160 HydrophobicContact CD2-CG 4.28Å; L156-K160 WeakPolarHBondContact O-CG 3.18Å; L156-K160 PolarHBondContact O-N 3.21Å
157A75.9Confident75.4Confident59 Ų59105.5 Ų105.549%0.48854%0.544SS..Hα-helixtrans-62.9-42.317000000112E153 E155 K160 S161E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.07Å; E155-A157 PolarHBondContact O-N 3.21Å; A157-K160 PolarHBondContact O-N 2.8Å; A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 VanDerWaalsContact O-N 3.15Å
158R78.2Confident74.9Confident199 Ų199107.3 Ų107.375%0.75155%0.551SS**Hα-helixtrans-64.3-41.1177-168.5179.3-179.4105.81.9112.2A154 E155 S161 V162A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 PolarHBondContact O-N 3.48Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 VanDerWaalsContact O-N 3.15Å; R158-S161 WeakPolarHBondContact O-CB 3.39Å; R158-S161 PolarHBondContact O-N 2.87Å; R158-V162 PolarHBondContact O-N 3.22Å
159L74Confident74.4Confident119 Ų119100.5 Ų100.562%0.62354%0.537SS*.Hα-helixtrans-65.6-41.2175.8-73.1169.8000112.2E155 L156 S161 V162 N163E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 3.07Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.88Å; L159-V162 PolarHBondContact O-N 2.8Å; L159-N163 PolarHBondContact O-N 3.46Å; L159-N163 VanDerWaalsContact O-N 3.13Å
160K75.9Confident74Confident139 Ų139102.9 Ų102.960%0.60454%0.544SS*.Hα-helixtrans-58.4-38.3173.3-78174.3174.6174.20112.3L156 A157 V162 N163 T164L156-K160 HydrophobicContact CD2-CD 3.97Å; L156-K160 VanDerWaalsContact CD2-CE 3.46Å; L156-K160 HydrophobicContact CD2-CG 4.28Å; L156-K160 WeakPolarHBondContact O-CG 3.18Å; L156-K160 PolarHBondContact O-N 3.21Å; A157-K160 PolarHBondContact O-N 2.8Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 2.64Å; K160-N163 PolarHBondContact O-N 2.78Å; K160-T164 PolarHBondContact O-N 3.26Å; K160-T164 PolarHBondContact O-OG1 3.04Å
161S77Confident73.1Confident62 Ų62104 Ų10443%0.43455%0.548SS..Hα-helixtrans-67.5-19.6175.2-174.20000114.3A157 R158 L159 T164 Q165A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 VanDerWaalsContact O-N 3.15Å; R158-S161 WeakPolarHBondContact O-CB 3.39Å; R158-S161 PolarHBondContact O-N 2.87Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.88Å; S161-T164 PolarHBondContact O-OG1 3.48Å; S161-Q165 WeakPolarHBondContact O-CG 3.4Å
162V76.8Confident72.4Confident70 Ų70103.8 Ų103.842%0.42455%0.547SS..Hα-helixtrans-86.1-41.7175.7175.40000110.5R158 L159 K160 T164 Q165 L166R158-V162 PolarHBondContact O-N 3.22Å; L159-V162 PolarHBondContact O-N 2.8Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 2.64Å; V162-T164 VanDerWaalsContact C-N 3.33Å; V162-T164 PolarHBondContact O-N 2.78Å; V162-Q165 PolarHBondContact O-N 2.77Å; V162-Q165 VanDerWaalsContact O-N 3.09Å; V162-L166 HydrophobicContact CG1-CD1 4.29Å; V162-L166 PolarHBondContact O-N 3.25Å; V162-L166 VanDerWaalsContact O-N 3.15Å
163N71.1Confident71.6Confident99 Ų99105.1 Ų105.153%0.52955%0.552SS.*Hα-helixtrans-57.5-44.5176.2-98.327.8000112.3L159 K160 Q165 L166 E167L159-N163 PolarHBondContact O-N 3.46Å; L159-N163 VanDerWaalsContact O-N 3.13Å; K160-N163 PolarHBondContact O-N 2.78Å; N163-Q165 PolarHBondContact O-N 2.87Å; N163-L166 PolarHBondContact O-N 2.88Å; N163-E167 WeakPolarHBondContact O-CG 3.33Å; N163-E167 PolarHBondContact O-N 3.43Å
164T72.2Confident70.8Confident83 Ų83103.6 Ų103.651%0.50955%0.551SS.*Hα-helixtrans-63.8-23.8178.750.10000113.6K160 S161 V162 S168K160-T164 PolarHBondContact O-N 3.26Å; K160-T164 PolarHBondContact O-OG1 3.04Å; S161-T164 PolarHBondContact O-OG1 3.48Å; V162-T164 VanDerWaalsContact C-N 3.33Å; V162-T164 PolarHBondContact O-N 2.78Å; T164-S168 PolarHBondContact O-OG 2.96Å
165Q71.4Confident69.7Low130 Ų130108.5 Ų108.561%0.60756%0.561SS**Hα-helixtrans-79.7-33173.8-68.6177.6-5.200112S161 V162 N163 S168 G169S161-Q165 WeakPolarHBondContact O-CG 3.4Å; V162-Q165 PolarHBondContact O-N 2.77Å; V162-Q165 VanDerWaalsContact O-N 3.09Å; N163-Q165 PolarHBondContact O-N 2.87Å; Q165-S168 PolarHBondContact O-OG 3.45Å; Q165-G169 PolarHBondContact O-N 3.06Å
166L71Confident68.4Low105 Ų105109.7 Ų109.755%0.5557%0.566SS.*Hα-helixtrans-71-40.5174.3-66.3171.3000111.8V162 N163 S168 G169 I170V162-L166 HydrophobicContact CG1-CD1 4.29Å; V162-L166 PolarHBondContact O-N 3.25Å; V162-L166 VanDerWaalsContact O-N 3.15Å; N163-L166 PolarHBondContact O-N 2.88Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.78Å; L166-G169 PolarHBondContact O-N 3.14Å; L166-G169 VanDerWaalsContact O-N 3.13Å; L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.12Å
167E68.9Low67.2Low115 Ų115109.9 Ų109.954%0.53758%0.576SS.*Hα-helixtrans-61.8-39.1177.7-72.1173.3152.500112.2N163 I170 Q171N163-E167 WeakPolarHBondContact O-CG 3.33Å; N163-E167 PolarHBondContact O-N 3.43Å; E167-I170 PolarHBondContact O-N 3.33Å; E167-Q171 PolarHBondContact O-N 2.89Å
168S67.8Low65.9Low68 Ų68114.3 Ų114.348%0.47659%0.59SS.*Hα-helixtrans-63.4-40.3171.945.30000113.2T164 Q165 L166 I170 Q171 E172T164-S168 PolarHBondContact O-OG 2.96Å; Q165-S168 PolarHBondContact O-OG 3.45Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.78Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact O-N 2.69Å; S168-Q171 PolarHBondContact O-N 3.44Å; S168-E172 PolarHBondContact O-N 3.39Å
169G69.9Low64.5Low37 Ų37109.3 Ų109.338%0.38159%0.586SS.*Hα-helixtrans-64.8-32.2179.500000113.6Q165 L166 M173Q165-G169 PolarHBondContact O-N 3.06Å; L166-G169 PolarHBondContact O-N 3.14Å; L166-G169 VanDerWaalsContact O-N 3.13Å; G169-M173 PolarHBondContact O-N 3.21Å
170I64.4Low62.9Low111 Ų111110.4 Ų110.457%0.56959%0.592SS**Hα-helixtrans-73-35.4178.5-67.6169.5000111.6L166 E167 S168 T174L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.12Å; E167-I170 PolarHBondContact O-N 3.33Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact O-N 2.69Å; I170-T174 PolarHBondContact O-N 3.26Å; I170-T174 PolarHBondContact O-OG1 2.9Å
171Q59.7Low61.2Low144 Ų144108 Ų10867%0.67360%0.599SS**Hα-helixtrans-70.6-30.9175.9-69-170.51.500113E167 S168 T174E167-Q171 PolarHBondContact O-N 2.89Å; S168-Q171 PolarHBondContact O-N 3.44Å; Q171-T174 PolarHBondContact O-OG1 3.38Å
172E62.9Low59.3Low131 Ų131113.9 Ų113.961%0.61262%0.619SS**Hα-helixtrans-66.2-46.9176.3-152.172.2-118.800111.2S168 T174 K175S168-E172 PolarHBondContact O-N 3.39Å; E172-T174 PolarHBondContact O-N 3Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.79Å
173M60.3Low57.3Low133 Ų133117.2 Ų117.266%0.65564%0.64SS**Hα-helixtrans-66.7-36.9-178.3-67.8-158.5-60.400113.6G169 K175 Q176 S177G169-M173 PolarHBondContact O-N 3.21Å; M173-K175 PolarHBondContact O-N 3.26Å; M173-Q176 PolarHBondContact O-N 2.78Å; M173-S177 PolarHBondContact O-N 3.36Å
174T57.4Low56Low94 Ų94118.1 Ų118.158%0.57765%0.654SS**Hα-helixtrans-65-25.8177.624.90000112.5I170 Q171 E172I170-T174 PolarHBondContact O-N 3.26Å; I170-T174 PolarHBondContact O-OG1 2.9Å; Q171-T174 PolarHBondContact O-OG1 3.38Å; E172-T174 PolarHBondContact O-N 3Å
175K55.1Low54.3Low165 Ų165119.1 Ų119.172%0.71767%0.671SS**Hα-helixtrans-73.6-33.5176.1-124.8171.4-176.9173.60113.5E172 M173E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.79Å; M173-K175 PolarHBondContact O-N 3.26Å
176Q50.1Low52.7Low147 Ų147117.5 Ų117.569%0.68768%0.679SS**Hα-helixtrans-75.4-32.3177.7-79-175.2-20.400113.1M173 L178 S179M173-Q176 PolarHBondContact O-N 2.78Å; Q176-L178 PolarHBondContact O-N 3.23Å; Q176-L178 VanDerWaalsContact O-N 3.15Å; Q176-S179 PolarHBondContact O-N 2.9Å
177S52Low50.9Low98 Ų98121 Ų12169%0.68569%0.693SS**THydrogen-bonded Turntrans-63.6-21.2-176.5-171.10000114.7M173M173-S177 PolarHBondContact O-N 3.36Å
178L48.6Very low49.9Very low151 Ų151123.9 Ų123.979%0.79171%0.71SS**THydrogen-bonded Turntrans-93.3-8.8-173.2-101.2156.9000114.5Q176Q176-L178 PolarHBondContact O-N 3.23Å; Q176-L178 VanDerWaalsContact O-N 3.15Å
179S47.1Very low48.5Very low94 Ų94130.9 Ų130.966%0.65773%0.726SS**SBendtrans-89.6-11.4-174.2-166.60000115.2Q176Q176-S179 PolarHBondContact O-N 2.9Å
180N42.3Very low46.8Very low142 Ų142134.5 Ų134.576%0.75974%0.741SS**SBendtrans-107.19.4-163.9-68.9-11.4000114.9
181A40.1Very low45.3Very low90 Ų90135.2 Ų135.274%0.74475%0.746SS**SBendtrans-110.89.9-166.100000116
182Q35.3Very low44.4Very low185 Ų185136.6 Ų136.686%0.86475%0.752SS**SBendtrans-129.14.7-165.8-79.8-169.7-27.700117.9
183T35.3Very low43.5Very low140 Ų140139.7 Ų139.786%0.85977%0.766SS**SBendtrans-137.857.5-172.142.60000115.6
184S43.2Very low42.9Very low118 Ų118140.3 Ų140.383%0.82577%0.768SS**SBendtrans-152.9146.1162.763.90000114.2
185A37.8Very low42.3Very low104 Ų104144.9 Ų144.986%0.8678%0.779SS**  trans7154.7163.500000118.7
186A37.9Very low42Very low95 Ų95145.2 Ų145.279%0.78579%0.788SS**  trans-108.991.715100000109.7
187E32.5Very low42.3Very low178 Ų178141.6 Ų141.683%0.83278%0.776SS**  trans-156.3-26.1174-136.6162.1-149.700117.9R189E187-R189 PolarHBondContact O-N 2.82Å
188I49Very low42.5Very low177 Ų177140 Ų14091%0.90877%0.769SS**  trans-76.978176.9-55.9179.5000109.7
189R37.8Very low42.7Very low214 Ų214142.2 Ų142.281%0.80877%0.768SS**  trans-122.324.8-166.6-157.6-146.7-149.7113.53.8112.6E187E187-R189 PolarHBondContact O-N 2.82Å
190T34.8Very low43.3Very low113 Ų113142.9 Ų142.969%0.69377%0.765SS**  trans-120.8104.3-175.7510000108.3
191L33.1Very low44.1Very low127 Ų127138.3 Ų138.367%0.66574%0.744SS**  71.4141.877.4-70166.4000112.2
192Q39.8Very low44.7Very low173 Ų173141.4 Ų141.481%0.80874%0.737SS**  trans78.152.2164.6-58.1163.30.300119
193E43.8Very low45.9Very low196 Ų196138.7 Ų138.792%0.91672%0.724SS**  trans-13229.1133.4-127.7168.1-133.600112.6K195E193-K195 PolarHBondContact O-N 3.41Å
194E48.1Very low47.2Very low146 Ų146137.1 Ų137.168%0.68271%0.71SS**THydrogen-bonded Turntrans-73.538-173.1-162.2170.2-141.700113.8T197E194-T197 VanDerWaalsContact C-CG2 3.44Å; E194-T197 HydrophobicContact CG-CG2 4.38Å; E194-T197 WeakPolarHBondContact O-CG2 3.44Å; E194-T197 PolarHBondContact O-OG1 3.3Å
195K44.5Very low48.3Very low189 Ų189136.1 Ų136.182%0.82269%0.693SS**THydrogen-bonded Turntrans-138.6-7.6-174.4-145.5177.4177-178.20118.6E193 T197E193-K195 PolarHBondContact O-N 3.41Å; K195-T197 WeakPolarHBondContact CA-OG1 3.41Å; K195-T197 PolarHBondContact O-N 2.83Å
196L48.4Very low49.6Very low172 Ų172135.7 Ų135.790%0.90168%0.675SS**SBendtrans-92.226.8156.9-139.570.3000112.2
197T57.3Low51.2Low72 Ų72135.5 Ų135.544%0.44266%0.661SS.*  trans-62.1-168.516446.50000112.6E194 K195 Y199E194-T197 VanDerWaalsContact C-CG2 3.44Å; E194-T197 HydrophobicContact CG-CG2 4.38Å; E194-T197 WeakPolarHBondContact O-CG2 3.44Å; E194-T197 PolarHBondContact O-OG1 3.3Å; K195-T197 WeakPolarHBondContact CA-OG1 3.41Å; K195-T197 PolarHBondContact O-N 2.83Å; T197-Y199 VanDerWaalsContact C-N 3.27Å; T197-Y199 PolarHBondContact O-N 3.5Å
198A56.8Low53.1Low65 Ų65131 Ų13154%0.53764%0.639SS.*SBendtrans71.5-30.8161.400000118.5S201 Y202A198-S201 WeakPolarHBondContact CA-OG 3.39Å; A198-S201 PolarHBondContact N-OG 2.87Å; A198-S201 PolarHBondContact O-OG 3.36Å; A198-Y202 WeakPolarHBondContact O-CD2 3.44Å
199Y52.4Low54Low196 Ų196127.2 Ų127.277%0.76962%0.62SS**SBendtrans-97.1-54.9172.2-166.2-105.2000112.1T197 S201T197-Y199 VanDerWaalsContact C-N 3.27Å; T197-Y199 PolarHBondContact O-N 3.5Å; Y199-S201 PolarHBondContact O-N 3.19Å
200N59Low55.6Low109 Ų109123 Ų12358%0.58361%0.608SS**Hα-helixtrans-65-21174.4-76.4-18.3000112.6Q203 L204N200-Q203 PolarHBondContact O-N 3.49Å; N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.14Å; N200-L204 PolarHBondContact O-N 3.28Å
201S58.7Low57.5Low45 Ų45124 Ų12432%0.31560%0.603SS.*Hα-helixtrans-64.7-43.9-178.255.30000112.8A198 Y199 L204 E205A198-S201 WeakPolarHBondContact CA-OG 3.39Å; A198-S201 PolarHBondContact N-OG 2.87Å; A198-S201 PolarHBondContact O-OG 3.36Å; Y199-S201 PolarHBondContact O-N 3.19Å; S201-L204 CarbonylContact O-C 3.6Å; S201-L204 PolarHBondContact O-N 3.28Å; S201-E205 WeakPolarHBondContact O-CB 3.45Å; S201-E205 WeakPolarHBondContact O-CG 3.42Å; S201-E205 PolarHBondContact O-N 3.36Å
202Y53.2Low59.5Low156 Ų156122 Ų12261%0.61259%0.59SS**Hα-helixtrans-71.6-34.6179.3-67.8-59.5000112.8A198 L204 E205 I206A198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.32Å; Y202-E205 PolarHBondContact O-N 3.38Å; Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 2.81Å
203Q59.9Low61.2Low127 Ų127119.2 Ų119.259%0.59358%0.58SS**Hα-helixtrans-72.7-29.7175.7-144.974.11.100111.9N200 N207N200-Q203 PolarHBondContact O-N 3.49Å; Q203-N207 PolarHBondContact O-ND2 3.46Å
204L62.8Low62.8Low108 Ų108114.3 Ų114.357%0.56556%0.56SS**Hα-helixtrans-71.9-50166.5-92.3158.7000111N200 S201 Y202 I206 N207 Q208N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.14Å; N200-L204 PolarHBondContact O-N 3.28Å; S201-L204 CarbonylContact O-C 3.6Å; S201-L204 PolarHBondContact O-N 3.28Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.12Å; L204-N207 CarbonylContact O-C 3.59Å; L204-N207 WeakPolarHBondContact O-CA 3.49Å; L204-N207 PolarHBondContact O-N 3.44Å; L204-Q208 WeakPolarHBondContact O-CA 3.22Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 PolarHBondContact O-N 3.36Å
205E65.7Low64.2Low97 Ų97112 Ų11245%0.45355%0.549SS..Hα-helixtrans-53.7-43179.1-81.5179.7137.600112.4S201 Y202 N207 Q208 I209S201-E205 WeakPolarHBondContact O-CB 3.45Å; S201-E205 WeakPolarHBondContact O-CG 3.42Å; S201-E205 PolarHBondContact O-N 3.36Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.32Å; Y202-E205 PolarHBondContact O-N 3.38Å; E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.94Å; E205-Q208 PolarHBondContact O-N 3.33Å; E205-I209 HydrophobicContact CB-CD1 4.46Å; E205-I209 WeakPolarHBondContact O-CB 3.13Å; E205-I209 WeakPolarHBondContact O-CG1 3.35Å; E205-I209 PolarHBondContact O-N 3.43Å
206I66.7Low65.7Low95 Ų95108.5 Ų108.549%0.48754%0.539SS..Hα-helixtrans-64.5-32.6176.6-70.4172.1000112.3Y202 L204 K210Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 2.81Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.12Å; I206-K210 WeakPolarHBondContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CD 3.33Å; I206-K210 WeakPolarHBondContact O-CG 3.47Å; I206-K210 PolarHBondContact O-N 3.49Å
207N70.9Confident67.2Low91 Ų91104.3 Ų104.349%0.48752%0.517SS..Hα-helixtrans-86.9-28.8177.4-72.1-51.3000113Q203 L204 E205 K210 K211Q203-N207 PolarHBondContact O-ND2 3.46Å; L204-N207 CarbonylContact O-C 3.59Å; L204-N207 WeakPolarHBondContact O-CA 3.49Å; L204-N207 PolarHBondContact O-N 3.44Å; E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.94Å; N207-K210 PolarHBondContact O-N 3.22Å; N207-K211 VanDerWaalsContact O-CB 3.28Å; N207-K211 WeakPolarHBondContact O-CB 3.35Å; N207-K211 PolarHBondContact O-N 2.97Å
208Q72.5Confident68.2Low82 Ų82105.5 Ų105.538%0.38352%0.521SS..Hα-helixtrans-74.1-48177-1757017.200108.9L204 E205 K210 K211 E212L204-Q208 WeakPolarHBondContact O-CA 3.22Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 PolarHBondContact O-N 3.36Å; E205-Q208 PolarHBondContact O-N 3.33Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.97Å; Q208-K211 CarbonylContact O-C 3.45Å; Q208-K211 WeakPolarHBondContact O-CA 3.46Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 3.11Å; Q208-E212 VanDerWaalsContact CG-OE1 3.32Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 3.1Å; Q208-E212 VanDerWaalsContact O-CB 3.28Å; Q208-E212 WeakPolarHBondContact O-CB 3.3Å; Q208-E212 WeakPolarHBondContact O-CG 3.15Å; Q208-E212 PolarHBondContact O-N 2.81Å
209I67.8Low69.4Low99 Ų99106 Ų10651%0.50851%0.512SS..Hα-helixtrans-61.5-35.3169.9-66.4166.9000110.8E205 L213E205-I209 HydrophobicContact CB-CD1 4.46Å; E205-I209 WeakPolarHBondContact O-CB 3.13Å; E205-I209 WeakPolarHBondContact O-CG1 3.35Å; E205-I209 PolarHBondContact O-N 3.43Å; I209-L213 WeakPolarHBondContact O-CA 3.27Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 PolarHBondContact O-N 3.15Å
210K72.1Confident70.6Confident124 Ų124100.3 Ų100.354%0.53950%0.495SS..Hα-helixtrans-68.2-35.6170.7-80.4172.8-177175.70113I206 N207 Q208 N214I206-K210 WeakPolarHBondContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CD 3.33Å; I206-K210 WeakPolarHBondContact O-CG 3.47Å; I206-K210 PolarHBondContact O-N 3.49Å; N207-K210 PolarHBondContact O-N 3.22Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.97Å; K210-N214 VanDerWaalsContact O-CB 3.3Å; K210-N214 WeakPolarHBondContact O-CB 3.08Å; K210-N214 VanDerWaalsContact O-CG 3.3Å; K210-N214 PolarHBondContact O-N 2.61Å; K210-N214 PolarHBondContact O-ND2 3Å
211K74.1Confident71.6Confident135 Ų13597.6 Ų97.659%0.58748%0.482SS*.Hα-helixtrans-72.3-44.5177.5-166.3178.4-177.6-173.50111N207 Q208 N214 Q215N207-K211 VanDerWaalsContact O-CB 3.28Å; N207-K211 WeakPolarHBondContact O-CB 3.35Å; N207-K211 PolarHBondContact O-N 2.97Å; Q208-K211 CarbonylContact O-C 3.45Å; Q208-K211 WeakPolarHBondContact O-CA 3.46Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 3.11Å; K211-N214 CarbonylContact O-C 3.51Å; K211-N214 PolarHBondContact O-N 3.13Å; K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 3.35Å
212E75.4Confident72.7Confident85 Ų85100.2 Ų100.240%0.39749%0.49SS..Hα-helixtrans-68.8-34.9174.8-72.2168.5-175.600111.9Q208 Q215 L216Q208-E212 VanDerWaalsContact CG-OE1 3.32Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 3.1Å; Q208-E212 VanDerWaalsContact O-CB 3.28Å; Q208-E212 WeakPolarHBondContact O-CB 3.3Å; Q208-E212 WeakPolarHBondContact O-CG 3.15Å; Q208-E212 PolarHBondContact O-N 2.81Å; E212-Q215 PolarHBondContact O-N 2.92Å; E212-L216 VanDerWaalsContact O-CB 3.29Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.1Å; E212-L216 PolarHBondContact O-N 2.77Å
213L75.3Confident74Confident114 Ų114100.2 Ų100.260%0.59749%0.49SS*.Hα-helixtrans-72.1-37.2172-174.2150.1000111.3I209 Q215 N217I209-L213 WeakPolarHBondContact O-CA 3.27Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 PolarHBondContact O-N 3.15Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-N217 WeakPolarHBondContact O-CB 3.46Å; L213-N217 PolarHBondContact O-N 2.73Å
214N76.2Confident75Confident93 Ų9399.8 Ų99.850%0.49749%0.486SS..Hα-helixtrans-67.8-33.8169.2-79.1-27000112.1K210 K211 N217 N218K210-N214 VanDerWaalsContact O-CB 3.3Å; K210-N214 WeakPolarHBondContact O-CB 3.08Å; K210-N214 VanDerWaalsContact O-CG 3.3Å; K210-N214 PolarHBondContact O-N 2.61Å; K210-N214 PolarHBondContact O-ND2 3Å; K211-N214 CarbonylContact O-C 3.51Å; K211-N214 PolarHBondContact O-N 3.13Å; N214-N217 PolarHBondContact O-N 2.78Å; N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.44Å; N214-N218 PolarHBondContact O-N 3.23Å; N214-N218 PolarHBondContact O-ND2 2.79Å; N214-N218 PolarHBondContact O-OD1 2.9Å
215Q78.5Confident75.9Confident99 Ų99100.3 Ų100.346%0.46348%0.484SS..Hα-helixtrans-76.6-44.7-179.5-172.6167.2-22.100111.1K211 E212 L213 N217 N218 E219K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 3.35Å; E212-Q215 PolarHBondContact O-N 2.92Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 2.85Å; Q215-N218 PolarHBondContact O-N 2.76Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.35Å; Q215-E219 VanDerWaalsContact O-CB 3.32Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 VanDerWaalsContact O-CG 3.26Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.28Å
216L75.7Confident76.8Confident114 Ų11499 Ų9960%0.59748%0.477SS*.Hα-helixtrans-61.9-35.1166.1-95.487.2000111.8E212 N220E212-L216 VanDerWaalsContact O-CB 3.29Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.1Å; E212-L216 PolarHBondContact O-N 2.77Å; L216-N220 WeakPolarHBondContact O-CA 3.21Å; L216-N220 WeakPolarHBondContact O-CB 3.29Å; L216-N220 PolarHBondContact O-N 3.17Å
217N79.7Confident77.4Confident84 Ų8499 Ų9945%0.44948%0.477SS..Hα-helixtrans-69.7-41175.9-171.846.9000110.9L213 N214 Q215 N220 T221L213-N217 WeakPolarHBondContact O-CB 3.46Å; L213-N217 PolarHBondContact O-N 2.73Å; N214-N217 PolarHBondContact O-N 2.78Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 2.85Å; N217-N220 CarbonylContact O-C 3.56Å; N217-N220 PolarHBondContact O-N 3.4Å; N217-T221 WeakPolarHBondContact O-CG2 3.4Å; N217-T221 PolarHBondContact O-N 2.75Å; N217-T221 PolarHBondContact O-OG1 3.31Å
218N79.4Confident78Confident97 Ų9797.9 Ų97.952%0.51948%0.477SS..Hα-helixtrans-62.1-50.4172.5-72.4-10.4000110.8N214 Q215 N220 T221 E222N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.44Å; N214-N218 PolarHBondContact O-N 3.23Å; N214-N218 PolarHBondContact O-ND2 2.79Å; N214-N218 PolarHBondContact O-OD1 2.9Å; Q215-N218 PolarHBondContact O-N 2.76Å; N218-N220 VanDerWaalsContact C-N 3.3Å; N218-N220 PolarHBondContact O-N 2.91Å; N218-T221 WeakPolarHBondContact CA-OG1 3.39Å; N218-T221 CarbonylContact O-C 3.59Å; N218-T221 WeakPolarHBondContact O-CA 3.49Å; N218-T221 PolarHBondContact O-N 2.86Å; N218-T221 PolarHBondContact O-OG1 3.29Å; N218-E222 PolarHBondContact O-N 3.29Å
219E81.2Confident78.6Confident75 Ų75101.5 Ų101.535%0.3549%0.487SS..Hα-helixtrans-58.3-39.5174-73.1168.9-158.300111.5Q215 T221 E222 Y223Q215-E219 WeakPolarHBondContact CG-OE1 3.35Å; Q215-E219 VanDerWaalsContact O-CB 3.32Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 VanDerWaalsContact O-CG 3.26Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.28Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.32Å; E219-E222 CarbonylContact O-C 3.59Å; E219-E222 PolarHBondContact O-N 2.79Å; E219-Y223 HydrophobicContact CB-CD2 4.28Å; E219-Y223 HydrophobicContact CB-CE2 4.05Å; E219-Y223 WeakPolarHBondContact O-CB 3.37Å; E219-Y223 WeakPolarHBondContact O-CD2 3.46Å; E219-Y223 VanDerWaalsContact O-CG 3.3Å; E219-Y223 PolarHBondContact O-N 3.08Å
220N77.6Confident79.1Confident77 Ų77101.2 Ų101.241%0.41249%0.486SS..Hα-helixtrans-69.4-30.9175-165.6-54.5000111.5L216 N217 N218 K224L216-N220 WeakPolarHBondContact O-CA 3.21Å; L216-N220 WeakPolarHBondContact O-CB 3.29Å; L216-N220 PolarHBondContact O-N 3.17Å; N217-N220 CarbonylContact O-C 3.56Å; N217-N220 PolarHBondContact O-N 3.4Å; N218-N220 VanDerWaalsContact C-N 3.3Å; N218-N220 PolarHBondContact O-N 2.91Å; N220-K224 VanDerWaalsContact O-CB 3.25Å; N220-K224 WeakPolarHBondContact O-CB 3.27Å; N220-K224 WeakPolarHBondContact O-CD 3.49Å; N220-K224 WeakPolarHBondContact O-CG 3.45Å; N220-K224 PolarHBondContact O-N 2.89Å; N220-K224 WeakPolarHBondContact OD1-CE 3.49Å; N220-K224 PolarHBondContact OD1-NZ 3.36Å
221T80.1Confident79.6Confident52 Ų52100.9 Ų100.932%0.31949%0.486SS..Hα-helixtrans-72.5-36.4168.259.60000113.1N217 N218 E219 K224 K225N217-T221 WeakPolarHBondContact O-CG2 3.4Å; N217-T221 PolarHBondContact O-N 2.75Å; N217-T221 PolarHBondContact O-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.39Å; N218-T221 CarbonylContact O-C 3.59Å; N218-T221 WeakPolarHBondContact O-CA 3.49Å; N218-T221 PolarHBondContact O-N 2.86Å; N218-T221 PolarHBondContact O-OG1 3.29Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.32Å; T221-K224 PolarHBondContact O-N 2.81Å; T221-K225 WeakPolarHBondContact O-CB 3.41Å; T221-K225 VanDerWaalsContact O-CG 3.27Å; T221-K225 WeakPolarHBondContact O-CG 3.28Å; T221-K225 PolarHBondContact O-N 3.49Å
222E82.5Confident79.9Confident100 Ų10097.2 Ų97.247%0.46748%0.481SS..Hα-helixtrans-70.4-41.7173.7-65.4-4813300111.6N218 E219 K224 K225 E226N218-E222 PolarHBondContact O-N 3.29Å; E219-E222 CarbonylContact O-C 3.59Å; E219-E222 PolarHBondContact O-N 2.79Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.48Å; E222-K225 CarbonylContact O-C 3.5Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 IonicContact OE1-NZ 2.96Å; E222-K225 PolarHBondContact OE1-NZ 2.85Å; E222-K225 VanDerWaalsContact OE2-CD 3.29Å; E222-K225 WeakPolarHBondContact OE2-CD 3.36Å; E222-K225 IonicContact OE2-NZ 3.9Å; E222-E226 WeakPolarHBondContact O-CB 3.28Å; E222-E226 PolarHBondContact O-N 3.13Å
223Y80.2Confident80.3Confident157 Ų15796.9 Ų96.962%0.61648%0.478SS*.Hα-helixtrans-63.8-34.5170.3-68.9-52.2000111.5E219 I227E219-Y223 HydrophobicContact CB-CD2 4.28Å; E219-Y223 HydrophobicContact CB-CE2 4.05Å; E219-Y223 WeakPolarHBondContact O-CB 3.37Å; E219-Y223 WeakPolarHBondContact O-CD2 3.46Å; E219-Y223 VanDerWaalsContact O-CG 3.3Å; E219-Y223 PolarHBondContact O-N 3.08Å; Y223-I227 WeakPolarHBondContact O-CB 3.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.47Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 2.92Å
224K80.8Confident80.5Confident118 Ų11894.7 Ų94.751%0.51347%0.47SS..Hα-helixtrans-69.1-38.9171.1-81.3165.3177.2150.90112.6N220 T221 E222 S228N220-K224 VanDerWaalsContact O-CB 3.25Å; N220-K224 WeakPolarHBondContact O-CB 3.27Å; N220-K224 WeakPolarHBondContact O-CD 3.49Å; N220-K224 WeakPolarHBondContact O-CG 3.45Å; N220-K224 PolarHBondContact O-N 2.89Å; N220-K224 WeakPolarHBondContact OD1-CE 3.49Å; N220-K224 PolarHBondContact OD1-NZ 3.36Å; T221-K224 PolarHBondContact O-N 2.81Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.48Å; K224-S228 VanDerWaalsContact O-CB 3.3Å; K224-S228 WeakPolarHBondContact O-CB 3.48Å; K224-S228 PolarHBondContact O-N 3.14Å; K224-S228 PolarHBondContact O-OG 3.37Å
225K81.7Confident80.9Confident119 Ų11994.1 Ų94.152%0.51747%0.467SS..Hα-helixtrans-63.3-45.6172.7-75.4165.4-179.4176.40110.8T221 E222 S228 R229T221-K225 WeakPolarHBondContact O-CB 3.41Å; T221-K225 VanDerWaalsContact O-CG 3.27Å; T221-K225 WeakPolarHBondContact O-CG 3.28Å; T221-K225 PolarHBondContact O-N 3.49Å; E222-K225 CarbonylContact O-C 3.5Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 IonicContact OE1-NZ 2.96Å; E222-K225 PolarHBondContact OE1-NZ 2.85Å; E222-K225 VanDerWaalsContact OE2-CD 3.29Å; E222-K225 WeakPolarHBondContact OE2-CD 3.36Å; E222-K225 IonicContact OE2-NZ 3.9Å; K225-S228 CarbonylContact O-C 3.56Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.36Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 2.87Å
226E84.1Confident81.2Confident69 Ų6994.6 Ų94.632%0.32247%0.469SS..Hα-helixtrans-72.8-36.5-179.5-170.360.1-167.900111.9E222 S228 R229 L230E222-E226 WeakPolarHBondContact O-CB 3.28Å; E222-E226 PolarHBondContact O-N 3.13Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.36Å; E226-R229 PolarHBondContact O-N 3.48Å; E226-R229 IonicContact OE1-CZ 3.3Å; E226-R229 IonicContact OE1-NE 2.63Å; E226-R229 PolarHBondContact OE1-NE 2.85Å; E226-R229 IonicContact OE1-NH2 2.93Å; E226-R229 PolarHBondContact OE1-NH2 3.27Å; E226-R229 IonicContact OE2-CZ 2.77Å; E226-R229 IonicContact OE2-NE 3.64Å; E226-R229 PolarHBondContact OE2-NE 3.45Å; E226-R229 IonicContact OE2-NH2 3.93Å; E226-R229 PolarHBondContact OE2-NH2 3.37Å; E226-L230 HydrophobicContact CG-CD1 4Å; E226-L230 HydrophobicContact CG-CG 4.28Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 2.75Å
227I79.4Confident81.4Confident94 Ų9493.1 Ų93.148%0.48246%0.461SS..Hα-helixtrans-60.6-41.8167.2-73.6164.7000110.1Y223 Q231Y223-I227 WeakPolarHBondContact O-CB 3.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.47Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 2.92Å; I227-Q231 HydrophobicContact CG2-CG 4.35Å; I227-Q231 WeakPolarHBondContact O-CB 3.28Å; I227-Q231 WeakPolarHBondContact O-CG 3.34Å; I227-Q231 PolarHBondContact O-N 3.39Å
228S83.1Confident81.5Confident68 Ų6894.4 Ų94.448%0.47646%0.463SS..Hα-helixtrans-66.6-37.4175.9-56.20000112.1K224 K225 E226 Q231 A232K224-S228 VanDerWaalsContact O-CB 3.3Å; K224-S228 WeakPolarHBondContact O-CB 3.48Å; K224-S228 PolarHBondContact O-N 3.14Å; K224-S228 PolarHBondContact O-OG 3.37Å; K225-S228 CarbonylContact O-C 3.56Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.36Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.36Å; S228-Q231 PolarHBondContact O-N 3.26Å; S228-A232 VanDerWaalsContact O-CB 3.26Å; S228-A232 WeakPolarHBondContact O-CB 3.36Å; S228-A232 PolarHBondContact O-N 3.04Å
229R85.1Confident81.6Confident159 Ų15994.6 Ų94.660%0.646%0.464SS*.Hα-helixtrans-71.5-39.2177.7-162.4-179.975.298.24.7111.7K225 E226 K233K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 2.87Å; E226-R229 PolarHBondContact O-N 3.48Å; E226-R229 IonicContact OE1-CZ 3.3Å; E226-R229 IonicContact OE1-NE 2.63Å; E226-R229 PolarHBondContact OE1-NE 2.85Å; E226-R229 IonicContact OE1-NH2 2.93Å; E226-R229 PolarHBondContact OE1-NH2 3.27Å; E226-R229 IonicContact OE2-CZ 2.77Å; E226-R229 IonicContact OE2-NE 3.64Å; E226-R229 PolarHBondContact OE2-NE 3.45Å; E226-R229 IonicContact OE2-NH2 3.93Å; E226-R229 PolarHBondContact OE2-NH2 3.37Å; R229-K233 WeakPolarHBondContact O-CB 3.37Å; R229-K233 PolarHBondContact O-N 3.31Å
230L79.8Confident81.8Confident93 Ų9394.7 Ų94.749%0.48746%0.464SS..Hα-helixtrans-72.3-34.5173.5-69.9171.4000111.6E226 T234E226-L230 HydrophobicContact CG-CD1 4Å; E226-L230 HydrophobicContact CG-CG 4.28Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 2.75Å; L230-T234 WeakPolarHBondContact O-CA 3.45Å; L230-T234 WeakPolarHBondContact O-CB 3.27Å; L230-T234 PolarHBondContact O-N 2.94Å; L230-T234 PolarHBondContact O-OG1 3.43Å
231Q81.5Confident81.9Confident116 Ų11694.6 Ų94.654%0.54247%0.466SS..Hα-helixtrans-67.5-43.9170.6-79.8177.7-22.900111.3I227 S228 T234 N235I227-Q231 HydrophobicContact CG2-CG 4.35Å; I227-Q231 WeakPolarHBondContact O-CB 3.28Å; I227-Q231 WeakPolarHBondContact O-CG 3.34Å; I227-Q231 PolarHBondContact O-N 3.39Å; S228-Q231 PolarHBondContact O-N 3.26Å; Q231-T234 PolarHBondContact O-N 2.94Å; Q231-N235 VanDerWaalsContact O-CG 3.3Å; Q231-N235 PolarHBondContact O-N 3.46Å
232A80.9Confident82.1Confident58 Ų5896.1 Ų96.148%0.47947%0.472SS..Hα-helixtrans-57.6-53172.200000110.7S228 T234 N235 E236S228-A232 VanDerWaalsContact O-CB 3.26Å; S228-A232 WeakPolarHBondContact O-CB 3.36Å; S228-A232 PolarHBondContact O-N 3.04Å; A232-T234 VanDerWaalsContact C-N 3.32Å; A232-T234 PolarHBondContact O-N 3.25Å; A232-N235 PolarHBondContact O-N 2.98Å; A232-N235 VanDerWaalsContact O-N 3.08Å; A232-E236 WeakPolarHBondContact O-CB 3.47Å; A232-E236 PolarHBondContact O-N 3.16Å
233K84.3Confident82.1Confident79 Ų7997.1 Ų97.134%0.34348%0.476SS..Hα-helixtrans-67.7-28.6178.5-169.751.9178.7167.50113.2R229 N235 E236 L237 E240R229-K233 WeakPolarHBondContact O-CB 3.37Å; R229-K233 PolarHBondContact O-N 3.31Å; K233-N235 VanDerWaalsContact C-N 3.33Å; K233-E236 HydrophobicContact CD-CB 4.05Å; K233-E236 WeakPolarHBondContact CD-OE2 3.5Å; K233-E236 WeakPolarHBondContact CE-OE2 3.43Å; K233-E236 IonicContact NZ-OE2 3.41Å; K233-E236 PolarHBondContact NZ-OE2 3.39Å; K233-L237 HydrophobicContact CD-CD1 4.43Å; K233-L237 HydrophobicContact CD-CG 4.15Å; K233-L237 HydrophobicContact CG-CD1 4.03Å; K233-L237 HydrophobicContact CG-CG 4.28Å; K233-L237 VanDerWaalsContact O-CB 3.23Å; K233-L237 WeakPolarHBondContact O-CB 3.24Å; K233-L237 WeakPolarHBondContact O-CD1 3.45Å; K233-L237 WeakPolarHBondContact O-CG 3.13Å; K233-L237 PolarHBondContact O-N 2.96Å; K233-E240 IonicContact NZ-OE1 2.68Å; K233-E240 PolarHBondContact NZ-OE1 3.06Å
234T79.4Confident82Confident68 Ų6893.2 Ų93.242%0.41747%0.471SS..Hα-helixtrans-68.4-33171.9-65.10000111.6L230 Q231 A232 K238L230-T234 WeakPolarHBondContact O-CA 3.45Å; L230-T234 WeakPolarHBondContact O-CB 3.27Å; L230-T234 PolarHBondContact O-N 2.94Å; L230-T234 PolarHBondContact O-OG1 3.43Å; Q231-T234 PolarHBondContact O-N 2.94Å; A232-T234 VanDerWaalsContact C-N 3.32Å; A232-T234 PolarHBondContact O-N 3.25Å; T234-K238 WeakPolarHBondContact O-CD 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.36Å; T234-K238 PolarHBondContact O-N 3.38Å; T234-K238 VanDerWaalsContact O-N 3.11Å
235N83.2Confident82.2Confident80 Ų8095.9 Ų95.943%0.42848%0.478SS..Hα-helixtrans-77.3-44.4174.3-67.6-15.1000110.8Q231 A232 K233 L237 K238 D239Q231-N235 VanDerWaalsContact O-CG 3.3Å; Q231-N235 PolarHBondContact O-N 3.46Å; A232-N235 PolarHBondContact O-N 2.98Å; A232-N235 VanDerWaalsContact O-N 3.08Å; K233-N235 VanDerWaalsContact C-N 3.33Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 2.95Å; N235-K238 CarbonylContact O-C 3.6Å; N235-K238 WeakPolarHBondContact O-CA 3.44Å; N235-K238 WeakPolarHBondContact O-CB 3.44Å; N235-K238 PolarHBondContact O-N 2.82Å; N235-K238 PolarHBondContact OD1-NZ 3.28Å; N235-D239 PolarHBondContact O-N 3.23Å
236E84.5Confident82.2Confident110 Ų11094.7 Ų94.751%0.51448%0.477SS..Hα-helixtrans-53.6-47.3171.8-144.3177.1-119.900110.9A232 K233 K238 D239 E240A232-E236 WeakPolarHBondContact O-CB 3.47Å; A232-E236 PolarHBondContact O-N 3.16Å; K233-E236 HydrophobicContact CD-CB 4.05Å; K233-E236 WeakPolarHBondContact CD-OE2 3.5Å; K233-E236 WeakPolarHBondContact CE-OE2 3.43Å; K233-E236 IonicContact NZ-OE2 3.41Å; K233-E236 PolarHBondContact NZ-OE2 3.39Å; E236-K238 PolarHBondContact O-N 2.69Å; E236-D239 PolarHBondContact O-N 3.11Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 VanDerWaalsContact O-CG 3.26Å; E236-E240 WeakPolarHBondContact O-CG 3.47Å; E236-E240 PolarHBondContact O-N 3.32Å
237L80.6Confident82.1Confident83 Ų8395.4 Ų95.444%0.43548%0.483SS..Hα-helixtrans-67.3-28.4175.3-72.9168.2000113.7K233 N235 V241K233-L237 HydrophobicContact CD-CD1 4.43Å; K233-L237 HydrophobicContact CD-CG 4.15Å; K233-L237 HydrophobicContact CG-CD1 4.03Å; K233-L237 HydrophobicContact CG-CG 4.28Å; K233-L237 VanDerWaalsContact O-CB 3.23Å; K233-L237 WeakPolarHBondContact O-CB 3.24Å; K233-L237 WeakPolarHBondContact O-CD1 3.45Å; K233-L237 WeakPolarHBondContact O-CG 3.13Å; K233-L237 PolarHBondContact O-N 2.96Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 2.95Å; L237-V241 WeakPolarHBondContact O-CB 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 2.66Å
238K82.8Confident82Confident110 Ų11096.4 Ų96.448%0.47849%0.489SS..Hα-helixtrans-71.2-41.4171.3-77.5164.9-169.3162.30110.9T234 N235 E236 V241 I242T234-K238 WeakPolarHBondContact O-CD 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.36Å; T234-K238 PolarHBondContact O-N 3.38Å; T234-K238 VanDerWaalsContact O-N 3.11Å; N235-K238 CarbonylContact O-C 3.6Å; N235-K238 WeakPolarHBondContact O-CA 3.44Å; N235-K238 WeakPolarHBondContact O-CB 3.44Å; N235-K238 PolarHBondContact O-N 2.82Å; N235-K238 PolarHBondContact OD1-NZ 3.28Å; E236-K238 PolarHBondContact O-N 2.69Å; K238-V241 CarbonylContact O-C 3.52Å; K238-V241 PolarHBondContact O-N 2.85Å; K238-I242 WeakPolarHBondContact O-CB 3.49Å; K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.47Å; K238-I242 PolarHBondContact O-N 3.49Å
239D81.3Confident82.1Confident101 Ų10198.3 Ų98.354%0.5449%0.49SS..Hα-helixtrans-70-39.8179.6-64.1-26.5000110.3N235 E236 V241 I242 Q243N235-D239 PolarHBondContact O-N 3.23Å; E236-D239 PolarHBondContact O-N 3.11Å; D239-V241 VanDerWaalsContact C-N 3.35Å; D239-V241 PolarHBondContact O-N 3.27Å; D239-I242 PolarHBondContact O-N 3Å; D239-Q243 VanDerWaalsContact O-CB 3.28Å; D239-Q243 WeakPolarHBondContact O-CB 3.47Å; D239-Q243 PolarHBondContact O-N 3.17Å
240E83.9Confident82Confident78 Ų7895.4 Ų95.436%0.36449%0.486SS..Hα-helixtrans-56.1-44.8166.3-73.2171.2-128.800111.4K233 E236 Q243 C244K233-E240 IonicContact NZ-OE1 2.68Å; K233-E240 PolarHBondContact NZ-OE1 3.06Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 VanDerWaalsContact O-CG 3.26Å; E236-E240 WeakPolarHBondContact O-CG 3.47Å; E236-E240 PolarHBondContact O-N 3.32Å; E240-Q243 PolarHBondContact O-N 2.9Å; E240-C244 VanDerWaalsContact O-CB 3.3Å; E240-C244 WeakPolarHBondContact O-CB 3.29Å; E240-C244 PolarHBondContact O-N 2.74Å; E240-C244 PolarHBondContact O-SG 2.84Å
241V79.8Confident82Confident75 Ų7597.8 Ų97.846%0.45549%0.492SS..Hα-helixtrans-69.2-35.9177.5163.20000112.7L237 K238 D239 R245L237-V241 WeakPolarHBondContact O-CB 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 2.66Å; K238-V241 CarbonylContact O-C 3.52Å; K238-V241 PolarHBondContact O-N 2.85Å; D239-V241 VanDerWaalsContact C-N 3.35Å; D239-V241 PolarHBondContact O-N 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.36Å; V241-R245 WeakPolarHBondContact O-CG 3.35Å; V241-R245 PolarHBondContact O-N 2.79Å
242I84.4Confident82.1Confident84 Ų8495 Ų9543%0.43148%0.483SS..Hα-helixtrans-67.8-44.7174-71.4163000109.7K238 D239 C244 R245 N246K238-I242 WeakPolarHBondContact O-CB 3.49Å; K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.47Å; K238-I242 PolarHBondContact O-N 3.49Å; D239-I242 PolarHBondContact O-N 3Å; I242-C244 PolarHBondContact O-N 3.45Å; I242-R245 PolarHBondContact O-N 2.86Å; I242-N246 WeakPolarHBondContact O-CB 3.36Å; I242-N246 VanDerWaalsContact O-CG 3.22Å; I242-N246 PolarHBondContact O-N 2.82Å
243Q83.1Confident82.3Confident121 Ų12196.2 Ų96.257%0.56548%0.482SS*.Hα-helixtrans-62.5-42.1175.1-167.3-179.522.500111.3D239 E240 N246 N247D239-Q243 VanDerWaalsContact O-CB 3.28Å; D239-Q243 WeakPolarHBondContact O-CB 3.47Å; D239-Q243 PolarHBondContact O-N 3.17Å; E240-Q243 PolarHBondContact O-N 2.9Å; Q243-N246 PolarHBondContact O-N 2.72Å; Q243-N247 VanDerWaalsContact O-CB 3.29Å; Q243-N247 WeakPolarHBondContact O-CB 3.18Å; Q243-N247 PolarHBondContact O-N 3.3Å; Q243-N247 PolarHBondContact O-ND2 3.4Å
244C79.3Confident82.2Confident74 Ų7495 Ų9550%0.548%0.481SS..Hα-helixtrans-64.7-38.1174.1-71.10000112.5E240 I242 L248E240-C244 VanDerWaalsContact O-CB 3.3Å; E240-C244 WeakPolarHBondContact O-CB 3.29Å; E240-C244 PolarHBondContact O-N 2.74Å; E240-C244 PolarHBondContact O-SG 2.84Å; I242-C244 PolarHBondContact O-N 3.45Å; C244-L248 WeakPolarHBondContact O-CB 3.45Å; C244-L248 PolarHBondContact O-N 3.1Å
245R84.1Confident82.3Confident175 Ų17596.7 Ų96.766%0.6649%0.487SS*.Hα-helixtrans-65.9-43.1173-82.1177.5172.1163.4-1.1112.4V241 I242 L248 Q249V241-R245 WeakPolarHBondContact O-CB 3.36Å; V241-R245 WeakPolarHBondContact O-CG 3.35Å; V241-R245 PolarHBondContact O-N 2.79Å; I242-R245 PolarHBondContact O-N 2.86Å; R245-L248 PolarHBondContact O-N 3.04Å; R245-Q249 PolarHBondContact O-N 3.48Å
246N81.6Confident82.3Confident93 Ų9396.6 Ų96.650%0.49748%0.484SS..Hα-helixtrans-65.7-42.4177.1-68.3-11.6000110.8I242 Q243 Q249 I250I242-N246 WeakPolarHBondContact O-CB 3.36Å; I242-N246 VanDerWaalsContact O-CG 3.22Å; I242-N246 PolarHBondContact O-N 2.82Å; Q243-N246 PolarHBondContact O-N 2.72Å; N246-Q249 PolarHBondContact O-N 2.77Å; N246-I250 WeakPolarHBondContact O-CB 3.23Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.19Å; N246-I250 PolarHBondContact O-N 2.85Å
247N82.1Confident82.3Confident84 Ų8497.1 Ų97.145%0.44949%0.486SS..Hα-helixtrans-62.6-40.8173-73.8-19.6000111.9Q243 K251Q243-N247 VanDerWaalsContact O-CB 3.29Å; Q243-N247 WeakPolarHBondContact O-CB 3.18Å; Q243-N247 PolarHBondContact O-N 3.3Å; Q243-N247 PolarHBondContact O-ND2 3.4Å; N247-K251 WeakPolarHBondContact O-CB 3.26Å; N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.31Å; N247-K251 PolarHBondContact O-N 3.19Å
248L78.1Confident82.3Confident116 Ų11698.3 Ų98.361%0.60749%0.488SS*.Hα-helixtrans-62-47.1172.5-95.4165.1000111.6C244 R245 I250 K251 T252C244-L248 WeakPolarHBondContact O-CB 3.45Å; C244-L248 PolarHBondContact O-N 3.1Å; R245-L248 PolarHBondContact O-N 3.04Å; L248-I250 PolarHBondContact O-N 3.3Å; L248-K251 CarbonylContact O-C 3.51Å; L248-K251 WeakPolarHBondContact O-CA 3.43Å; L248-K251 PolarHBondContact O-N 2.88Å; L248-K251 VanDerWaalsContact O-N 3.09Å; L248-T252 PolarHBondContact O-N 3.42Å; L248-T252 PolarHBondContact O-OG1 3.31Å; L248-T252 VanDerWaalsContact O-OG1 3.09Å
249Q83.5Confident82.4Confident108 Ų10898.3 Ų98.351%0.50549%0.489SS..Hα-helixtrans-62.4-43.3178.9-170.463.754.200111.7R245 N246 K251 T252 N253R245-Q249 PolarHBondContact O-N 3.48Å; N246-Q249 PolarHBondContact O-N 2.77Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.74Å; Q249-T252 PolarHBondContact O-N 2.82Å; Q249-N253 PolarHBondContact NE2-OD1 3.49Å; Q249-N253 WeakPolarHBondContact O-CB 3.28Å; Q249-N253 PolarHBondContact O-N 2.83Å; Q249-N253 PolarHBondContact O-OD1 3.42Å
250I83.9Confident82.5Confident98 Ų98101.4 Ų101.450%0.50349%0.493SS..Hα-helixtrans-59.8-43173-68.8164000110N246 L248 N253 T254N246-I250 WeakPolarHBondContact O-CB 3.23Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.19Å; N246-I250 PolarHBondContact O-N 2.85Å; L248-I250 PolarHBondContact O-N 3.3Å; I250-N253 PolarHBondContact O-N 3.19Å; I250-T254 WeakPolarHBondContact O-CG2 3.28Å; I250-T254 PolarHBondContact O-N 3.49Å; I250-T254 PolarHBondContact O-OG1 3.33Å
251K80.8Confident82.6Confident143 Ų143102.1 Ų102.162%0.62250%0.497SS*.Hα-helixtrans-66.5-41.2178.1-73.2-67.5174.3-166.90113N247 L248 Q249 T254 L255N247-K251 WeakPolarHBondContact O-CB 3.26Å; N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.31Å; N247-K251 PolarHBondContact O-N 3.19Å; L248-K251 CarbonylContact O-C 3.51Å; L248-K251 WeakPolarHBondContact O-CA 3.43Å; L248-K251 PolarHBondContact O-N 2.88Å; L248-K251 VanDerWaalsContact O-N 3.09Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.74Å; K251-T254 WeakPolarHBondContact CA-OG1 3.45Å; K251-T254 CarbonylContact O-C 3.56Å; K251-T254 PolarHBondContact O-N 3.31Å; K251-T254 PolarHBondContact O-OG1 2.81Å; K251-L255 WeakPolarHBondContact O-CB 3.34Å; K251-L255 PolarHBondContact O-N 3.08Å
252T83.5Confident82.7Confident58 Ų58103.5 Ų103.536%0.35650%0.501SS..Hα-helixtrans-60-47.9172.2-57.30000111L248 Q249 T254 L255 E256L248-T252 PolarHBondContact O-N 3.42Å; L248-T252 PolarHBondContact O-OG1 3.31Å; L248-T252 VanDerWaalsContact O-OG1 3.09Å; Q249-T252 PolarHBondContact O-N 2.82Å; T252-T254 VanDerWaalsContact C-N 3.32Å; T252-T254 PolarHBondContact O-N 3.45Å; T252-L255 WeakPolarHBondContact O-CA 3.47Å; T252-L255 WeakPolarHBondContact O-CB 3.42Å; T252-L255 PolarHBondContact O-N 3.31Å; T252-E256 PolarHBondContact O-N 3.47Å
253N83.3Confident82.7Confident83 Ų83106.4 Ų106.444%0.44451%0.512SS..Hα-helixtrans-59.2-42.7177-67.114000111.5Q249 I250 L255 E257Q249-N253 PolarHBondContact NE2-OD1 3.49Å; Q249-N253 WeakPolarHBondContact O-CB 3.28Å; Q249-N253 PolarHBondContact O-N 2.83Å; Q249-N253 PolarHBondContact O-OD1 3.42Å; I250-N253 PolarHBondContact O-N 3.19Å; N253-L255 VanDerWaalsContact C-N 3.3Å; N253-L255 PolarHBondContact O-N 3.41Å; N253-E257 WeakPolarHBondContact O-CB 3.26Å; N253-E257 PolarHBondContact O-N 3.06Å
254T83.6Confident82.8Confident53 Ų53103.2 Ų103.233%0.32550%0.503SS..Hα-helixtrans-70.7-23.8174.259.20000113.5I250 K251 T252 K258I250-T254 WeakPolarHBondContact O-CG2 3.28Å; I250-T254 PolarHBondContact O-N 3.49Å; I250-T254 PolarHBondContact O-OG1 3.33Å; K251-T254 WeakPolarHBondContact CA-OG1 3.45Å; K251-T254 CarbonylContact O-C 3.56Å; K251-T254 PolarHBondContact O-N 3.31Å; K251-T254 PolarHBondContact O-OG1 2.81Å; T252-T254 VanDerWaalsContact C-N 3.32Å; T252-T254 PolarHBondContact O-N 3.45Å; T254-K258 WeakPolarHBondContact O-CB 3.18Å; T254-K258 WeakPolarHBondContact O-CG 3.22Å; T254-K258 PolarHBondContact O-N 3.44Å; T254-K258 VanDerWaalsContact O-N 3.09Å
255L81.1Confident82.9Confident104 Ų104103.8 Ų103.855%0.54550%0.501SS..Hα-helixtrans-71.4-50.8173.6-165.284.9000109.4K251 T252 N253 E257 K258 E259K251-L255 WeakPolarHBondContact O-CB 3.34Å; K251-L255 PolarHBondContact O-N 3.08Å; T252-L255 WeakPolarHBondContact O-CA 3.47Å; T252-L255 WeakPolarHBondContact O-CB 3.42Å; T252-L255 PolarHBondContact O-N 3.31Å; N253-L255 VanDerWaalsContact C-N 3.3Å; N253-L255 PolarHBondContact O-N 3.41Å; L255-E257 VanDerWaalsContact C-N 3.27Å; L255-E257 PolarHBondContact O-N 3.5Å; L255-K258 CarbonylContact O-C 3.58Å; L255-K258 WeakPolarHBondContact O-CA 3.35Å; L255-K258 PolarHBondContact O-N 3.43Å; L255-E259 WeakPolarHBondContact O-CG 3.3Å; L255-E259 PolarHBondContact O-N 2.86Å
256E83.7Confident82.9Confident78 Ų7898.3 Ų98.336%0.36449%0.487SS..Hα-helixtrans-56.7-40.6175-70.9-176.7-15000112.1T252 E259 R260T252-E256 PolarHBondContact O-N 3.47Å; E256-E259 PolarHBondContact O-N 2.72Å; E256-R260 WeakPolarHBondContact O-CB 3.19Å; E256-R260 VanDerWaalsContact O-CG 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.49Å; E256-R260 PolarHBondContact O-N 3.39Å; E256-R260 IonicContact OE2-CZ 2.69Å; E256-R260 IonicContact OE2-NH2 3.88Å; E256-R260 PolarHBondContact OE2-NH2 3.36Å
257E83.2Confident83.1Confident120 Ų12099.4 Ų99.456%0.56149%0.489SS*.Hα-helixtrans-65.1-38.8176.3-173.8174.6-142.100111.8N253 L255 Q261N253-E257 WeakPolarHBondContact O-CB 3.26Å; N253-E257 PolarHBondContact O-N 3.06Å; L255-E257 VanDerWaalsContact C-N 3.27Å; L255-E257 PolarHBondContact O-N 3.5Å; E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 PolarHBondContact O-N 2.97Å
258K82.2Confident83.2Confident109 Ų109100 Ų10047%0.47449%0.489SS..Hα-helixtrans-73.4-32.5174.4-68.1-69.1152.4-164.20112.8T254 L255 Q261 I262T254-K258 WeakPolarHBondContact O-CB 3.18Å; T254-K258 WeakPolarHBondContact O-CG 3.22Å; T254-K258 PolarHBondContact O-N 3.44Å; T254-K258 VanDerWaalsContact O-N 3.09Å; L255-K258 CarbonylContact O-C 3.58Å; L255-K258 WeakPolarHBondContact O-CA 3.35Å; L255-K258 PolarHBondContact O-N 3.43Å; K258-Q261 PolarHBondContact O-N 3.03Å; K258-I262 WeakPolarHBondContact O-CB 3.41Å; K258-I262 WeakPolarHBondContact O-CD1 3.1Å; K258-I262 WeakPolarHBondContact O-CG1 3.43Å; K258-I262 PolarHBondContact O-N 3.37Å
259E83.4Confident83.2Confident109 Ų10999.9 Ų99.951%0.50949%0.488SS..Hα-helixtrans-65.4-43.3171.8-74.2174.3168.600110.8L255 E256 Q261 I262 H263L255-E259 WeakPolarHBondContact O-CG 3.3Å; L255-E259 PolarHBondContact O-N 2.86Å; E256-E259 PolarHBondContact O-N 2.72Å; E259-Q261 PolarHBondContact O-N 3.2Å; E259-I262 PolarHBondContact O-N 3.06Å; E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 3.47Å
260R85.1Confident83.3Confident166 Ų16699.5 Ų99.563%0.62649%0.486SS*.Hα-helixtrans-61.4-42171.8-68.8171.2-143.4176.15.5112E256 H263 S264E256-R260 WeakPolarHBondContact O-CB 3.19Å; E256-R260 VanDerWaalsContact O-CG 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.49Å; E256-R260 PolarHBondContact O-N 3.39Å; E256-R260 IonicContact OE2-CZ 2.69Å; E256-R260 IonicContact OE2-NH2 3.88Å; E256-R260 PolarHBondContact OE2-NH2 3.36Å; R260-H263 WeakPolarHBondContact O-CB 3.25Å; R260-H263 PolarHBondContact O-N 3.44Å; R260-S264 PolarHBondContact O-N 3.04Å
261Q85.1Confident83.3Confident93 Ų9397 Ų9744%0.43548%0.478SS..Hα-helixtrans-67.5-37.7176.4-170.1170.927.900112.4E257 K258 E259 H263 S264 L265E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 PolarHBondContact O-N 2.97Å; K258-Q261 PolarHBondContact O-N 3.03Å; E259-Q261 PolarHBondContact O-N 3.2Å; Q261-H263 VanDerWaalsContact C-N 3.28Å; Q261-S264 PolarHBondContact O-N 3.5Å; Q261-S264 PolarHBondContact O-OG 3.45Å; Q261-L265 HydrophobicContact CG-CD1 4.23Å; Q261-L265 WeakPolarHBondContact O-CB 3.29Å; Q261-L265 VanDerWaalsContact O-CG 3.28Å; Q261-L265 WeakPolarHBondContact O-CG 3.38Å; Q261-L265 PolarHBondContact O-N 3.46Å
262I82.5Confident83.3Confident105 Ų10593.2 Ų93.254%0.53847%0.469SS..Hα-helixtrans-63.3-38.2170.5-72.5163000110K258 E259 L265 T266K258-I262 WeakPolarHBondContact O-CB 3.41Å; K258-I262 WeakPolarHBondContact O-CD1 3.1Å; K258-I262 WeakPolarHBondContact O-CG1 3.43Å; K258-I262 PolarHBondContact O-N 3.37Å; E259-I262 PolarHBondContact O-N 3.06Å; I262-L265 PolarHBondContact O-N 3.46Å; I262-T266 VanDerWaalsContact O-CB 3.29Å; I262-T266 WeakPolarHBondContact O-CB 3.49Å; I262-T266 PolarHBondContact O-N 3.04Å; I262-T266 PolarHBondContact O-OG1 2.98Å
263H83.4Confident83.3Confident145 Ų14596.8 Ų96.867%0.67148%0.481SS*.Hα-helixtrans-67.6-40.1178.7-138.966.8000112.6E259 R260 Q261 T266 H267E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 3.47Å; R260-H263 WeakPolarHBondContact O-CB 3.25Å; R260-H263 PolarHBondContact O-N 3.44Å; Q261-H263 VanDerWaalsContact C-N 3.28Å; H263-T266 PolarHBondContact O-N 2.94Å; H263-H267 PolarHBondContact O-N 3.29Å
264S84.8Confident83.3Confident53 Ų5399 Ų9937%0.37148%0.483SS..Hα-helixtrans-65-49.7172.695.50000110.9R260 Q261 T266 H267 E268R260-S264 PolarHBondContact O-N 3.04Å; Q261-S264 PolarHBondContact O-N 3.5Å; Q261-S264 PolarHBondContact O-OG 3.45Å; S264-T266 PolarHBondContact O-N 2.97Å; S264-H267 CarbonylContact O-C 3.59Å; S264-H267 WeakPolarHBondContact O-CA 3.26Å; S264-H267 WeakPolarHBondContact O-CB 3Å; S264-H267 PolarHBondContact O-N 3.13Å; S264-E268 WeakPolarHBondContact CB-OE1 3.39Å; S264-E268 WeakPolarHBondContact O-CB 3.48Å; S264-E268 VanDerWaalsContact O-CG 3.26Å; S264-E268 WeakPolarHBondContact O-CG 3.44Å; S264-E268 PolarHBondContact O-N 2.58Å; S264-E268 PolarHBondContact OG-OE1 3.47Å
265L82.2Confident83.2Confident86 Ų86101 Ų10145%0.4549%0.489SS..Hα-helixtrans-59.8-31.6177.7-70.9171.4000112.8Q261 I262 L269Q261-L265 HydrophobicContact CG-CD1 4.23Å; Q261-L265 WeakPolarHBondContact O-CB 3.29Å; Q261-L265 VanDerWaalsContact O-CG 3.28Å; Q261-L265 WeakPolarHBondContact O-CG 3.38Å; Q261-L265 PolarHBondContact O-N 3.46Å; I262-L265 PolarHBondContact O-N 3.46Å; L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.2Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 2.68Å
266T84.3Confident83.2Confident60 Ų60100.5 Ų100.537%0.36849%0.486SS..Hα-helixtrans-70-43.2173.2-56.50000110.8I262 H263 S264 L269 E270I262-T266 VanDerWaalsContact O-CB 3.29Å; I262-T266 WeakPolarHBondContact O-CB 3.49Å; I262-T266 PolarHBondContact O-N 3.04Å; I262-T266 PolarHBondContact O-OG1 2.98Å; H263-T266 PolarHBondContact O-N 2.94Å; S264-T266 PolarHBondContact O-N 2.97Å; T266-L269 WeakPolarHBondContact O-CB 2.99Å; T266-L269 PolarHBondContact O-N 3.11Å; T266-E270 WeakPolarHBondContact O-CG 3.47Å; T266-E270 PolarHBondContact O-N 2.81Å
267H84.4Confident83.1Confident116 Ų116102.6 Ų102.654%0.53750%0.496SS..Hα-helixtrans-68.4-37177.4-165.158.3000112.9H263 S264 E270 S271H263-H267 PolarHBondContact O-N 3.29Å; S264-H267 CarbonylContact O-C 3.59Å; S264-H267 WeakPolarHBondContact O-CA 3.26Å; S264-H267 WeakPolarHBondContact O-CB 3Å; S264-H267 PolarHBondContact O-N 3.13Å; H267-E270 IonicContact ND1-OE2 2.68Å; H267-E270 PolarHBondContact O-N 2.62Å; H267-S271 PolarHBondContact O-N 3.27Å
268E84.2Confident83Confident97 Ų97101.2 Ų101.245%0.45350%0.495SS..Hα-helixtrans-63.2-43.4171.8-68.4158.3-129.300110.5S264 S271 C272S264-E268 WeakPolarHBondContact CB-OE1 3.39Å; S264-E268 WeakPolarHBondContact O-CB 3.48Å; S264-E268 VanDerWaalsContact O-CG 3.26Å; S264-E268 WeakPolarHBondContact O-CG 3.44Å; S264-E268 PolarHBondContact O-N 2.58Å; S264-E268 PolarHBondContact OG-OE1 3.47Å; E268-S271 PolarHBondContact O-N 2.73Å; E268-C272 WeakPolarHBondContact O-CB 3.43Å; E268-C272 PolarHBondContact O-N 2.68Å; E268-C272 PolarHBondContact O-SG 3.07Å
269L79.3Confident83Confident113 Ų113101.8 Ų101.859%0.59250%0.5SS*.Hα-helixtrans-63.3-37.9171.4-85.4166.5000113L265 T266 H273L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.2Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 2.68Å; T266-L269 WeakPolarHBondContact O-CB 2.99Å; T266-L269 PolarHBondContact O-N 3.11Å; L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 3.42Å
270E85.2Confident82.9Confident101 Ų101101.5 Ų101.547%0.47250%0.501SS..Hα-helixtrans-70.3-27.9174.6-76.8178.9167.900113T266 H267 R274T266-E270 WeakPolarHBondContact O-CG 3.47Å; T266-E270 PolarHBondContact O-N 2.81Å; H267-E270 IonicContact ND1-OE2 2.68Å; H267-E270 PolarHBondContact O-N 2.62Å; E270-R274 PolarHBondContact O-N 3.14Å; E270-R274 PolarHBondContact O-NE 3.14Å; E270-R274 PolarHBondContact O-NH2 2.74Å
271S83.8Confident82.7Confident45 Ų4598 Ų9832%0.31550%0.495SS..Hα-helixtrans-71.9-52.2170.2-156.50000109.7H267 E268 H273 R274 E275H267-S271 PolarHBondContact O-N 3.27Å; E268-S271 PolarHBondContact O-N 2.73Å; S271-H273 PolarHBondContact O-N 2.83Å; S271-R274 PolarHBondContact O-N 2.86Å; S271-E275 WeakPolarHBondContact CB-OE1 3.48Å; S271-E275 WeakPolarHBondContact O-CG 3.4Å; S271-E275 PolarHBondContact O-N 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.49Å
272C81.6Confident82.5Confident64 Ų6495.8 Ų95.843%0.43249%0.489SS..Hα-helixtrans-56.2-37175.8-66.30000112.4E268 L276E268-C272 WeakPolarHBondContact O-CB 3.43Å; E268-C272 PolarHBondContact O-N 2.68Å; E268-C272 PolarHBondContact O-SG 3.07Å; C272-L276 VanDerWaalsContact O-CB 3.31Å; C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 VanDerWaalsContact O-CG 3.25Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 2.89Å
273H82.3Confident82.3Confident132 Ų13294.1 Ų94.161%0.61148%0.484SS*.Hα-helixtrans-66.5-41.7174.4-110.374.2000112.5L269 S271 L276 E277L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 3.42Å; S271-H273 PolarHBondContact O-N 2.83Å; H273-L276 PolarHBondContact O-N 2.83Å; H273-E277 VanDerWaalsContact O-CB 3.26Å; H273-E277 WeakPolarHBondContact O-CB 3.26Å; H273-E277 PolarHBondContact O-N 3.47Å
274R84.1Confident82Confident130 Ų13093 Ų9349%0.49148%0.479SS..Hα-helixtrans-69-35.2176.5-80.7175-77.3163-5.4112.3E270 S271 E277 T278E270-R274 PolarHBondContact O-N 3.14Å; E270-R274 PolarHBondContact O-NE 3.14Å; E270-R274 PolarHBondContact O-NH2 2.74Å; S271-R274 PolarHBondContact O-N 2.86Å; R274-E277 PolarHBondContact O-N 2.73Å; R274-T278 WeakPolarHBondContact O-CG2 3.44Å; R274-T278 PolarHBondContact O-N 2.78Å; R274-T278 PolarHBondContact O-OG1 3.42Å
275E82.3Confident81.9Confident96 Ų9695.3 Ų95.345%0.44949%0.486SS..Hα-helixtrans-69.3-39.6174-70.1158-131.800111.8S271 T278 Q279S271-E275 WeakPolarHBondContact CB-OE1 3.48Å; S271-E275 WeakPolarHBondContact O-CG 3.4Å; S271-E275 PolarHBondContact O-N 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.49Å; E275-T278 PolarHBondContact O-OG1 2.8Å; E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 2.83Å
276L79.2Confident81.8Confident93 Ų9396.1 Ų96.149%0.48749%0.487SS..Hα-helixtrans-66.2-37.7170-75.9168000111.6C272 H273 Q279 I280C272-L276 VanDerWaalsContact O-CB 3.31Å; C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 VanDerWaalsContact O-CG 3.25Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 2.89Å; H273-L276 PolarHBondContact O-N 2.83Å; L276-Q279 PolarHBondContact O-N 3.01Å; L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 WeakPolarHBondContact O-CD1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.15Å
277E83Confident81.7Confident121 Ų12199 Ų9957%0.56549%0.494SS*.Hα-helixtrans-68.9-39.1177.7-169.5167-143.500111.6H273 R274 I280 N281H273-E277 VanDerWaalsContact O-CB 3.26Å; H273-E277 WeakPolarHBondContact O-CB 3.26Å; H273-E277 PolarHBondContact O-N 3.47Å; R274-E277 PolarHBondContact O-N 2.73Å; E277-I280 PolarHBondContact O-N 2.94Å; E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 3.14Å
278T80.7Confident81.4Confident91 Ų9196.2 Ų96.256%0.55849%0.487SS*.Hα-helixtrans-69-36171.754.80000112.5R274 E275 N281 S282R274-T278 WeakPolarHBondContact O-CG2 3.44Å; R274-T278 PolarHBondContact O-N 2.78Å; R274-T278 PolarHBondContact O-OG1 3.42Å; E275-T278 PolarHBondContact O-OG1 2.8Å; T278-N281 PolarHBondContact O-N 3.24Å; T278-S282 PolarHBondContact O-N 3.31Å; T278-S282 PolarHBondContact O-OG 3.19Å; T278-S282 VanDerWaalsContact O-OG 3.07Å
279Q81.5Confident81.2Confident122 Ų12295.5 Ų95.557%0.5748%0.484SS*.Hα-helixtrans-67-37.6171.9-75.3-174.314.700112.8E275 L276 S282 V283E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 2.83Å; L276-Q279 PolarHBondContact O-N 3.01Å; Q279-S282 WeakPolarHBondContact CA-OG 3.3Å; Q279-S282 PolarHBondContact O-N 2.92Å; Q279-S282 PolarHBondContact O-OG 3.26Å; Q279-V283 WeakPolarHBondContact O-CB 3.41Å; Q279-V283 VanDerWaalsContact O-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CG2 3.48Å; Q279-V283 PolarHBondContact O-N 3.32Å
280I81Confident81.3Confident103 Ų10396 Ų9653%0.52848%0.483SS..Hα-helixtrans-64.6-45.5173.9-72.6165.2000110.3L276 E277 S282 V283 E284L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 WeakPolarHBondContact O-CD1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.15Å; E277-I280 PolarHBondContact O-N 2.94Å; I280-S282 PolarHBondContact O-N 3.25Å; I280-V283 PolarHBondContact O-N 3.44Å; I280-E284 PolarHBondContact O-N 3.21Å
281N81.2Confident81.3Confident93 Ų9397.5 Ų97.550%0.49749%0.488SS..Hα-helixtrans-63.3-40.5177.7-77.5-62.8000112.7E277 T278 E284 L285E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 3.14Å; T278-N281 PolarHBondContact O-N 3.24Å; N281-E284 PolarHBondContact O-N 3.26Å; N281-L285 PolarHBondContact O-N 3.41Å
282S80.8Confident81.2Confident45 Ų45102 Ų10232%0.31551%0.506SS..Hα-helixtrans-68.2-37.1173.754.30000112.3T278 Q279 I280 E284 L285 F286T278-S282 PolarHBondContact O-N 3.31Å; T278-S282 PolarHBondContact O-OG 3.19Å; T278-S282 VanDerWaalsContact O-OG 3.07Å; Q279-S282 WeakPolarHBondContact CA-OG 3.3Å; Q279-S282 PolarHBondContact O-N 2.92Å; Q279-S282 PolarHBondContact O-OG 3.26Å; I280-S282 PolarHBondContact O-N 3.25Å; S282-E284 VanDerWaalsContact C-N 3.31Å; S282-E284 PolarHBondContact O-N 3.21Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.42Å; S282-L285 VanDerWaalsContact O-N 3.14Å; S282-F286 WeakPolarHBondContact O-CD2 3.45Å; S282-F286 WeakPolarHBondContact O-CG 3.24Å; S282-F286 PolarHBondContact O-N 3.26Å
283V79.1Confident81.1Confident70 Ų70103.3 Ų103.342%0.42451%0.508SS..Hα-helixtrans-65.2-30.6172166.80000112.5Q279 I280 K287Q279-V283 WeakPolarHBondContact O-CB 3.41Å; Q279-V283 VanDerWaalsContact O-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CG2 3.48Å; Q279-V283 PolarHBondContact O-N 3.32Å; I280-V283 PolarHBondContact O-N 3.44Å; V283-K287 HydrophobicContact CG1-CD 4.33Å; V283-K287 WeakPolarHBondContact O-CB 3.29Å; V283-K287 WeakPolarHBondContact O-CD 3.45Å; V283-K287 WeakPolarHBondContact O-CG 3.07Å; V283-K287 PolarHBondContact O-N 3.3Å
284E77.7Confident81.1Confident123 Ų123102.4 Ų102.458%0.57550%0.504SS*.Hα-helixtrans-71.7-37.5169.2-67.3-151.2148.700112.4I280 N281 S282 K287 S288I280-E284 PolarHBondContact O-N 3.21Å; N281-E284 PolarHBondContact O-N 3.26Å; S282-E284 VanDerWaalsContact C-N 3.31Å; S282-E284 PolarHBondContact O-N 3.21Å; E284-K287 PolarHBondContact O-N 3.44Å; E284-S288 PolarHBondContact O-N 3.14Å
285L81.8Confident81.1Confident100 Ų100100.5 Ų100.552%0.52450%0.504SS..Hα-helixtrans-61.1-52.5173-149.586.1000111N281 S282 K287 S288 E289N281-L285 PolarHBondContact O-N 3.41Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.42Å; S282-L285 VanDerWaalsContact O-N 3.14Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.91Å; L285-S288 WeakPolarHBondContact O-CA 3.46Å; L285-S288 WeakPolarHBondContact O-CB 3.14Å; L285-S288 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-OG 3.33Å; L285-E289 PolarHBondContact O-N 3.41Å
286F80.9Confident81.1Confident104 Ų10499 Ų9946%0.45650%0.504SS..Hα-helixtrans-60.3-32.6176.5-68.5-48.9000112.7S282 E289 Q290S282-F286 WeakPolarHBondContact O-CD2 3.45Å; S282-F286 WeakPolarHBondContact O-CG 3.24Å; S282-F286 PolarHBondContact O-N 3.26Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.36Å; F286-Q290 WeakPolarHBondContact O-CB 3.28Å; F286-Q290 PolarHBondContact O-N 3.16Å
287K81.2Confident81.1Confident120 Ų120100.9 Ų100.952%0.52251%0.508SS..Hα-helixtrans-68.2-33.6170.6-78.9166.6-173.71640112.7V283 E284 L285 K291V283-K287 HydrophobicContact CG1-CD 4.33Å; V283-K287 WeakPolarHBondContact O-CB 3.29Å; V283-K287 WeakPolarHBondContact O-CD 3.45Å; V283-K287 WeakPolarHBondContact O-CG 3.07Å; V283-K287 PolarHBondContact O-N 3.3Å; E284-K287 PolarHBondContact O-N 3.44Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.91Å; K287-K291 VanDerWaalsContact O-CB 3.3Å; K287-K291 WeakPolarHBondContact O-CB 3.29Å; K287-K291 PolarHBondContact O-N 3.09Å
288S78.7Confident81.2Confident57 Ų5799.5 Ų99.540%0.39950%0.502SS..Hα-helixtrans-70.5-40.4175.5830000111.5E284 L285 K291 M292E284-S288 PolarHBondContact O-N 3.14Å; L285-S288 WeakPolarHBondContact O-CA 3.46Å; L285-S288 WeakPolarHBondContact O-CB 3.14Å; L285-S288 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-OG 3.33Å; S288-K291 PolarHBondContact O-N 3.4Å; S288-M292 PolarHBondContact O-N 3.07Å
289E80.8Confident81.3Confident82 Ų82101.1 Ų101.138%0.38350%0.503SS..Hα-helixtrans-68.2-48.1174.9-68.7170.5175.400111.4L285 F286 K291 M292 I293L285-E289 PolarHBondContact O-N 3.41Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.36Å; E289-K291 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact O-N 3.16Å; E289-M292 PolarHBondContact O-N 3.47Å; E289-I293 WeakPolarHBondContact O-CB 3.5Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.21Å; E289-I293 PolarHBondContact O-N 3Å
290Q80.7Confident81.4Confident123 Ų12399.8 Ų99.858%0.57550%0.495SS*.Hα-helixtrans-51.5-39.3171-177.5-176.12400110.8F286 Q294F286-Q290 WeakPolarHBondContact O-CB 3.28Å; F286-Q290 PolarHBondContact O-N 3.16Å; Q290-Q294 WeakPolarHBondContact O-CB 3.26Å; Q290-Q294 PolarHBondContact O-N 2.98Å
291K84Confident81.6Confident134 Ų13499.1 Ų99.158%0.58349%0.492SS*.Hα-helixtrans-74.2-35.1177.6-167.6170.3-175175.70113.3K287 S288 E289 N295K287-K291 VanDerWaalsContact O-CB 3.3Å; K287-K291 WeakPolarHBondContact O-CB 3.29Å; K287-K291 PolarHBondContact O-N 3.09Å; S288-K291 PolarHBondContact O-N 3.4Å; E289-K291 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact O-N 3.16Å; K291-N295 WeakPolarHBondContact O-CB 3.49Å; K291-N295 PolarHBondContact O-N 2.93Å; K291-N295 PolarHBondContact O-OD1 3.01Å
292M82.6Confident81.8Confident140 Ų14099.4 Ų99.469%0.6949%0.488SS*.Hα-helixtrans-66.8-42.3171.4-68.8-159-169.200111.7S288 E289 N295 S296S288-M292 PolarHBondContact O-N 3.07Å; E289-M292 PolarHBondContact O-N 3.47Å; M292-N295 PolarHBondContact O-N 3.28Å; M292-S296 PolarHBondContact O-N 3.44Å; M292-S296 PolarHBondContact O-OG 2.96Å
293I80.4Confident82Confident90 Ų90102.1 Ų102.146%0.46250%0.496SS..Hα-helixtrans-66.9-40.7176.7-67.7166.3000110.7E289 S296 F297E289-I293 WeakPolarHBondContact O-CB 3.5Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.21Å; E289-I293 PolarHBondContact O-N 3Å; I293-S296 PolarHBondContact O-N 2.73Å; I293-S296 PolarHBondContact O-OG 3Å; I293-S296 VanDerWaalsContact O-OG 3.09Å; I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.37Å; I293-F297 HydrophobicContact CG2-CZ 4.45Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å; I293-F297 PolarHBondContact O-N 3.27Å
294Q82.3Confident82.2Confident113 Ų113103.1 Ų103.153%0.52850%0.499SS..Hα-helixtrans-64.1-43.9173.5-176.2175.32.500111Q290 F297 E298Q290-Q294 WeakPolarHBondContact O-CB 3.26Å; Q290-Q294 PolarHBondContact O-N 2.98Å; Q294-F297 PolarHBondContact O-N 3.45Å; Q294-E298 VanDerWaalsContact O-CB 3.25Å; Q294-E298 WeakPolarHBondContact O-CB 3.25Å; Q294-E298 PolarHBondContact O-N 2.7Å
295N83.4Confident82.5Confident91 Ų91102.7 Ų102.749%0.48750%0.497SS..Hα-helixtrans-61.7-43174.9-72.3-4.3000111.8K291 M292 E298 E299K291-N295 WeakPolarHBondContact O-CB 3.49Å; K291-N295 PolarHBondContact O-N 2.93Å; K291-N295 PolarHBondContact O-OD1 3.01Å; M292-N295 PolarHBondContact O-N 3.28Å; N295-E298 PolarHBondContact O-N 2.78Å; N295-E299 WeakPolarHBondContact O-CB 3.38Å; N295-E299 PolarHBondContact O-N 2.83Å
296S82.3Confident82.7Confident65 Ų65102.7 Ų102.746%0.45550%0.496SS..Hα-helixtrans-71.8-34.8-179.471.60000112.3M292 I293 K300M292-S296 PolarHBondContact O-N 3.44Å; M292-S296 PolarHBondContact O-OG 2.96Å; I293-S296 PolarHBondContact O-N 2.73Å; I293-S296 PolarHBondContact O-OG 3Å; I293-S296 VanDerWaalsContact O-OG 3.09Å; S296-K300 VanDerWaalsContact O-CB 3.23Å; S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 PolarHBondContact O-N 3.42Å
297F80Confident83Confident131 Ų131101.5 Ų101.558%0.57549%0.494SS*.Hα-helixtrans-67.6-38.2168.4-77.5-50.6000112.2I293 Q294 E299 K300 I301I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.37Å; I293-F297 HydrophobicContact CG2-CZ 4.45Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å; I293-F297 PolarHBondContact O-N 3.27Å; Q294-F297 PolarHBondContact O-N 3.45Å; F297-E299 VanDerWaalsContact C-N 3.33Å; F297-E299 PolarHBondContact O-N 2.77Å; F297-K300 CarbonylContact O-C 3.59Å; F297-K300 PolarHBondContact O-N 3.34Å; F297-I301 WeakPolarHBondContact O-CB 3.32Å; F297-I301 WeakPolarHBondContact O-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å; F297-I301 PolarHBondContact O-N 3.42Å
298E84.1Confident83.2Confident92 Ų92100.9 Ų100.943%0.4350%0.496SS..Hα-helixtrans-69-32.4177.1-159.5-174.5-9900111.8Q294 N295 K302Q294-E298 VanDerWaalsContact O-CB 3.25Å; Q294-E298 WeakPolarHBondContact O-CB 3.25Å; Q294-E298 PolarHBondContact O-N 2.7Å; N295-E298 PolarHBondContact O-N 2.78Å; E298-K302 WeakPolarHBondContact O-CD 3.44Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 3.42Å; E298-K302 IonicContact OE2-NZ 2.58Å; E298-K302 PolarHBondContact OE2-NZ 3.07Å
299E83.5Confident83.6Confident125 Ų125101.8 Ų101.858%0.58450%0.499SS*.Hα-helixtrans-74.2-39.2171.2-170.3164.7-132.900112.2N295 F297 I301 K302 Q303N295-E299 WeakPolarHBondContact O-CB 3.38Å; N295-E299 PolarHBondContact O-N 2.83Å; F297-E299 VanDerWaalsContact C-N 3.33Å; F297-E299 PolarHBondContact O-N 2.77Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-K302 PolarHBondContact O-N 2.79Å; E299-Q303 WeakPolarHBondContact O-CG 3.09Å; E299-Q303 PolarHBondContact O-N 2.85Å
300K83.8Confident83.8Confident95 Ų95102.8 Ų102.841%0.41350%0.504SS..Hα-helixtrans-64.8-36.7171.4-175.380174.6-168.90111.3S296 F297 Q303 L304 E818S296-K300 VanDerWaalsContact O-CB 3.23Å; S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 PolarHBondContact O-N 3.42Å; F297-K300 CarbonylContact O-C 3.59Å; F297-K300 PolarHBondContact O-N 3.34Å; K300-Q303 PolarHBondContact O-N 3.44Å; K300-L304 HydrophobicContact CG-CD1 4.2Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.24Å; K300-L304 WeakPolarHBondContact O-CG 3.39Å; K300-L304 PolarHBondContact O-N 2.74Å; K300-E818 IonicContact NZ-OE1 2.85Å
301I83.8Confident84Confident88 Ų88101.6 Ų101.645%0.45150%0.497SS..Hα-helixtrans-63.2-49.6172.1-75.1163.5000109.6F297 E299 Q303 L304 E305F297-I301 WeakPolarHBondContact O-CB 3.32Å; F297-I301 WeakPolarHBondContact O-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å; F297-I301 PolarHBondContact O-N 3.42Å; E299-I301 VanDerWaalsContact C-N 3.34Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 2.93Å; I301-L304 CarbonylContact O-C 3.59Å; I301-L304 WeakPolarHBondContact O-CA 3.37Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.4Å; I301-E305 HydrophobicContact CG2-CG 4.24Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 2.81Å
302K86.3Confident84Confident99 Ų99100 Ų10043%0.4349%0.491SS..Hα-helixtrans-59.5-37.1175.6-71.4159.8-168.4156.20112.7E298 E299 I306E298-K302 WeakPolarHBondContact O-CD 3.44Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 3.42Å; E298-K302 IonicContact OE2-NZ 2.58Å; E298-K302 PolarHBondContact OE2-NZ 3.07Å; E299-K302 PolarHBondContact O-N 2.79Å; K302-I306 WeakPolarHBondContact O-CB 3.23Å; K302-I306 WeakPolarHBondContact O-CD1 3.27Å; K302-I306 VanDerWaalsContact O-CG1 3.24Å; K302-I306 WeakPolarHBondContact O-CG1 3.36Å; K302-I306 PolarHBondContact O-N 3.48Å
303Q84.8Confident84.1Confident102 Ų102100.7 Ų100.748%0.47749%0.486SS..Hα-helixtrans-65.5-42171.7-72174.821.200112.1E299 K300 I301 I306 I307E299-Q303 WeakPolarHBondContact O-CG 3.09Å; E299-Q303 PolarHBondContact O-N 2.85Å; K300-Q303 PolarHBondContact O-N 3.44Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 2.93Å; Q303-I306 PolarHBondContact O-N 3.47Å; Q303-I307 WeakPolarHBondContact O-CB 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.18Å; Q303-I307 VanDerWaalsContact O-CG1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.04Å; Q303-I307 PolarHBondContact O-N 2.82Å
304L82.9Confident84.3Confident92 Ų92100.5 Ų100.548%0.48248%0.483SS..Hα-helixtrans-67.9-36.1176.3-73.5167.6000112.3K300 I301 I307 D308K300-L304 HydrophobicContact CG-CD1 4.2Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.24Å; K300-L304 WeakPolarHBondContact O-CG 3.39Å; K300-L304 PolarHBondContact O-N 2.74Å; I301-L304 CarbonylContact O-C 3.59Å; I301-L304 WeakPolarHBondContact O-CA 3.37Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.4Å; L304-I307 CarbonylContact O-C 3.53Å; L304-I307 PolarHBondContact O-N 3.32Å; L304-D308 VanDerWaalsContact O-CB 3.22Å; L304-D308 WeakPolarHBondContact O-CB 3.47Å; L304-D308 PolarHBondContact O-N 3.2Å
305E85Confident84.4Confident113 Ų11399.1 Ų99.153%0.52848%0.482SS..Hα-helixtrans-65-41.9172.2-71.6173.4149.300111.3I301 D308 V309I301-E305 HydrophobicContact CG2-CG 4.24Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 2.81Å; E305-D308 PolarHBondContact O-N 3.03Å; E305-V309 WeakPolarHBondContact O-CB 3.46Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.45Å; E305-V309 PolarHBondContact O-N 3.45Å
306I86.1Confident84.5Confident100 Ų100100 Ų10051%0.51348%0.484SS..Hα-helixtrans-64.1-42.2174-70.6165000110.7K302 Q303 Q310K302-I306 WeakPolarHBondContact O-CB 3.23Å; K302-I306 WeakPolarHBondContact O-CD1 3.27Å; K302-I306 VanDerWaalsContact O-CG1 3.24Å; K302-I306 WeakPolarHBondContact O-CG1 3.36Å; K302-I306 PolarHBondContact O-N 3.48Å; Q303-I306 PolarHBondContact O-N 3.47Å; I306-Q310 WeakPolarHBondContact O-CB 3.49Å; I306-Q310 VanDerWaalsContact O-CG 3.23Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.35Å
307I86.3Confident84.7Confident80 Ų80101.2 Ų101.241%0.4149%0.485SS..Hα-helixtrans-67.6-39.8176.3-70.2164.7000110.8Q303 L304 Q310 K311Q303-I307 WeakPolarHBondContact O-CB 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.18Å; Q303-I307 VanDerWaalsContact O-CG1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.04Å; Q303-I307 PolarHBondContact O-N 2.82Å; L304-I307 CarbonylContact O-C 3.53Å; L304-I307 PolarHBondContact O-N 3.32Å; I307-Q310 CarbonylContact O-C 3.58Å; I307-Q310 WeakPolarHBondContact O-CB 3.41Å; I307-Q310 PolarHBondContact O-N 3.13Å; I307-K311 HydrophobicContact CG2-CG 4.15Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.1Å; I307-K311 PolarHBondContact O-N 3.03Å
308D85.6Confident84.9Confident106 Ų106100.1 Ų100.157%0.56749%0.485SS*.Hα-helixtrans-66.5-44.8178-170.164.6000110.9L304 E305 Q310 K311 Q312L304-D308 VanDerWaalsContact O-CB 3.22Å; L304-D308 WeakPolarHBondContact O-CB 3.47Å; L304-D308 PolarHBondContact O-N 3.2Å; E305-D308 PolarHBondContact O-N 3.03Å; D308-Q310 VanDerWaalsContact C-N 3.29Å; D308-Q310 PolarHBondContact O-N 2.72Å; D308-K311 CarbonylContact O-C 3.53Å; D308-K311 PolarHBondContact O-N 3.11Å; D308-K311 VanDerWaalsContact O-N 3.15Å; D308-Q312 VanDerWaalsContact O-CB 3.22Å; D308-Q312 WeakPolarHBondContact O-CB 3.36Å; D308-Q312 PolarHBondContact O-N 3.06Å
309V87Confident85Confident76 Ų7698.4 Ų98.446%0.46148%0.483SS..Hα-helixtrans-62-35172170.70000112E305 R313E305-V309 WeakPolarHBondContact O-CB 3.46Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.45Å; E305-V309 PolarHBondContact O-N 3.45Å; V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.24Å; V309-R313 PolarHBondContact O-N 2.92Å; V309-R313 VanDerWaalsContact O-N 3.14Å
310Q85.3Confident85.1Confident103 Ų10397.2 Ų97.248%0.48148%0.479SS..Hα-helixtrans-69-42.8172.5-75.61739.700112.1I306 I307 D308 R313 E314I306-Q310 WeakPolarHBondContact O-CB 3.49Å; I306-Q310 VanDerWaalsContact O-CG 3.23Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.35Å; I307-Q310 CarbonylContact O-C 3.58Å; I307-Q310 WeakPolarHBondContact O-CB 3.41Å; I307-Q310 PolarHBondContact O-N 3.13Å; D308-Q310 VanDerWaalsContact C-N 3.29Å; D308-Q310 PolarHBondContact O-N 2.72Å; Q310-R313 PolarHBondContact O-N 2.96Å; Q310-E314 PolarHBondContact O-N 2.81Å
311K83.9Confident85.2Confident99 Ų9996.6 Ų96.643%0.4348%0.48SS..Hα-helixtrans-72.6-32.4179.3-68.8-63.6168.8-151.70112.7I307 D308 E314 V315I307-K311 HydrophobicContact CG2-CG 4.15Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.1Å; I307-K311 PolarHBondContact O-N 3.03Å; D308-K311 CarbonylContact O-C 3.53Å; D308-K311 PolarHBondContact O-N 3.11Å; D308-K311 VanDerWaalsContact O-N 3.15Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.64Å; K311-E314 PolarHBondContact NZ-OE1 3.33Å; K311-E314 IonicContact NZ-OE2 2.71Å; K311-E314 PolarHBondContact NZ-OE2 3.18Å; K311-E314 PolarHBondContact O-N 3.22Å; K311-V315 WeakPolarHBondContact O-CB 3.46Å; K311-V315 VanDerWaalsContact O-CG2 3.26Å; K311-V315 WeakPolarHBondContact O-CG2 3.28Å; K311-V315 PolarHBondContact O-N 2.94Å
312Q84Confident85.2Confident100 Ų10097 Ų9747%0.46748%0.482SS..Hα-helixtrans-64.4-42.2170.1-170.766.1700110.5D308 V315 E316D308-Q312 VanDerWaalsContact O-CB 3.22Å; D308-Q312 WeakPolarHBondContact O-CB 3.36Å; D308-Q312 PolarHBondContact O-N 3.06Å; Q312-V315 CarbonylContact O-C 3.58Å; Q312-V315 PolarHBondContact O-N 3.43Å; Q312-E316 WeakPolarHBondContact O-CB 3.38Å; Q312-E316 WeakPolarHBondContact O-CG 3.28Å; Q312-E316 PolarHBondContact O-N 3.4Å
313R86.3Confident85.1Confident155 Ų15595.7 Ų95.759%0.58548%0.48SS*.Hα-helixtrans-66.1-38.4171.6-73.4173.9-175.8175.34.4113V309 Q310 V315 E316 N317V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.24Å; V309-R313 PolarHBondContact O-N 2.92Å; V309-R313 VanDerWaalsContact O-N 3.14Å; Q310-R313 PolarHBondContact O-N 2.96Å; R313-V315 VanDerWaalsContact C-N 3.34Å; R313-E316 PolarHBondContact O-N 3.3Å; R313-N317 WeakPolarHBondContact O-CB 3.33Å; R313-N317 PolarHBondContact O-N 3.47Å; R313-N317 PolarHBondContact O-ND2 3.39Å
314E83.8Confident85.3Confident85 Ų8595.3 Ų95.340%0.39748%0.478SS..Hα-helixtrans-62.3-41170.9-77.2177-14900111.3Q310 K311 N317 L318Q310-E314 PolarHBondContact O-N 2.81Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.64Å; K311-E314 PolarHBondContact NZ-OE1 3.33Å; K311-E314 IonicContact NZ-OE2 2.71Å; K311-E314 PolarHBondContact NZ-OE2 3.18Å; K311-E314 PolarHBondContact O-N 3.22Å; E314-N317 PolarHBondContact O-N 2.92Å; E314-L318 WeakPolarHBondContact O-CB 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 2.86Å
315V84.2Confident85.2Confident84 Ų8493 Ų9351%0.50947%0.472SS..Hα-helixtrans-68.7-37.2176.7166.60000111.6K311 Q312 R313 S319K311-V315 WeakPolarHBondContact O-CB 3.46Å; K311-V315 VanDerWaalsContact O-CG2 3.26Å; K311-V315 WeakPolarHBondContact O-CG2 3.28Å; K311-V315 PolarHBondContact O-N 2.94Å; Q312-V315 CarbonylContact O-C 3.58Å; Q312-V315 PolarHBondContact O-N 3.43Å; R313-V315 VanDerWaalsContact C-N 3.34Å; V315-S319 WeakPolarHBondContact O-CA 3.42Å; V315-S319 WeakPolarHBondContact O-CB 3.49Å; V315-S319 PolarHBondContact O-N 2.97Å
316E85.5Confident85.1Confident111 Ų11192.3 Ų92.352%0.51947%0.467SS..Hα-helixtrans-65.7-45.4172.8-76.2174.817100111.6Q312 R313 S319 M320Q312-E316 WeakPolarHBondContact O-CB 3.38Å; Q312-E316 WeakPolarHBondContact O-CG 3.28Å; Q312-E316 PolarHBondContact O-N 3.4Å; R313-E316 PolarHBondContact O-N 3.3Å; E316-S319 PolarHBondContact O-N 3.26Å; E316-M320 WeakPolarHBondContact O-CB 3.47Å; E316-M320 PolarHBondContact O-N 3.16Å
317N85.8Confident85.1Confident90 Ų9094.4 Ų94.448%0.48148%0.475SS..Hα-helixtrans-62.7-50.8174.4-72-25.9000111.2R313 E314 S319 M320 D321R313-N317 WeakPolarHBondContact O-CB 3.33Å; R313-N317 PolarHBondContact O-N 3.47Å; R313-N317 PolarHBondContact O-ND2 3.39Å; E314-N317 PolarHBondContact O-N 2.92Å; N317-S319 PolarHBondContact O-N 3.24Å; N317-M320 CarbonylContact O-C 3.52Å; N317-M320 WeakPolarHBondContact O-CA 3.39Å; N317-M320 WeakPolarHBondContact O-CB 3.37Å; N317-M320 PolarHBondContact O-N 2.99Å; N317-D321 WeakPolarHBondContact O-CB 3.38Å; N317-D321 VanDerWaalsContact O-CG 3.3Å; N317-D321 PolarHBondContact O-N 3.42Å
318L85.2Confident85.1Confident108 Ų10896.4 Ų96.457%0.56548%0.483SS*.Hα-helixtrans-63.2-29.3176.8-72.4169.4000112.3E314 L322E314-L318 WeakPolarHBondContact O-CB 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 2.86Å; L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 PolarHBondContact O-N 2.95Å
319S85.1Confident85Confident55 Ų5594.9 Ų94.939%0.38548%0.477SS..Hα-helixtrans-70.9-41.6171.7-177.70000111.2V315 E316 N317 N323V315-S319 WeakPolarHBondContact O-CA 3.42Å; V315-S319 WeakPolarHBondContact O-CB 3.49Å; V315-S319 PolarHBondContact O-N 2.97Å; E316-S319 PolarHBondContact O-N 3.26Å; N317-S319 PolarHBondContact O-N 3.24Å; S319-N323 VanDerWaalsContact O-CB 3.3Å; S319-N323 WeakPolarHBondContact O-CB 3.41Å; S319-N323 PolarHBondContact O-N 3.43Å; S319-N323 PolarHBondContact O-ND2 2.92Å
320M86.1Confident85Confident101 Ų10195.5 Ų95.550%0.49848%0.476SS..Hα-helixtrans-63.8-46.9173.6-172176.764.600111.2E316 N317 N323 Q324E316-M320 WeakPolarHBondContact O-CB 3.47Å; E316-M320 PolarHBondContact O-N 3.16Å; N317-M320 CarbonylContact O-C 3.52Å; N317-M320 WeakPolarHBondContact O-CA 3.39Å; N317-M320 WeakPolarHBondContact O-CB 3.37Å; N317-M320 PolarHBondContact O-N 2.99Å; M320-N323 CarbonylContact O-C 3.6Å; M320-N323 PolarHBondContact O-N 3.45Å; M320-N323 VanDerWaalsContact O-N 3.15Å; M320-Q324 WeakPolarHBondContact O-CG 3.22Å; M320-Q324 PolarHBondContact O-N 2.78Å
321D86.3Confident85.1Confident82 Ų8297 Ų9744%0.43948%0.484SS..Hα-helixtrans-64.3-42.1176.7-66.9-20.6000111.3N317 N323 Q324 A325N317-D321 WeakPolarHBondContact O-CB 3.38Å; N317-D321 VanDerWaalsContact O-CG 3.3Å; N317-D321 PolarHBondContact O-N 3.42Å; D321-N323 VanDerWaalsContact C-N 3.27Å; D321-N323 PolarHBondContact O-N 2.81Å; D321-Q324 PolarHBondContact O-N 3.25Å; D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.1Å; D321-A325 PolarHBondContact O-N 3.42Å
322L84.5Confident85Confident95 Ų9595.3 Ų95.350%0.49748%0.484SS..Hα-helixtrans-63.1-34173.1176.163.2000111.7L318 K326L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 PolarHBondContact O-N 2.95Å; L322-K326 WeakPolarHBondContact O-CB 3.42Å; L322-K326 WeakPolarHBondContact O-CG 3.5Å; L322-K326 PolarHBondContact O-N 2.72Å
323N84.5Confident85.1Confident72 Ų7298.8 Ų98.839%0.38549%0.493SS..Hα-helixtrans-76.6-39.1176.4-68.6-27.5000111.8S319 M320 D321 A325 K326 E327S319-N323 VanDerWaalsContact O-CB 3.3Å; S319-N323 WeakPolarHBondContact O-CB 3.41Å; S319-N323 PolarHBondContact O-N 3.43Å; S319-N323 PolarHBondContact O-ND2 2.92Å; M320-N323 CarbonylContact O-C 3.6Å; M320-N323 PolarHBondContact O-N 3.45Å; M320-N323 VanDerWaalsContact O-N 3.15Å; D321-N323 VanDerWaalsContact C-N 3.27Å; D321-N323 PolarHBondContact O-N 2.81Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 2.87Å; N323-K326 WeakPolarHBondContact O-CB 3.39Å; N323-K326 PolarHBondContact O-N 2.7Å; N323-K326 PolarHBondContact OD1-NZ 3.44Å; N323-E327 PolarHBondContact O-N 2.86Å
324Q87Confident85.2Confident95 Ų9597.4 Ų97.444%0.44449%0.491SS..Hα-helixtrans-60.9-42.6168.4-70.8-170.823.100111.3M320 D321 E327 Q328M320-Q324 WeakPolarHBondContact O-CG 3.22Å; M320-Q324 PolarHBondContact O-N 2.78Å; D321-Q324 PolarHBondContact O-N 3.25Å; Q324-E327 PolarHBondContact O-N 3.29Å; Q324-Q328 WeakPolarHBondContact O-CB 3.32Å; Q324-Q328 VanDerWaalsContact O-CG 3.3Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.75Å
325A81.4Confident85.3Confident42 Ų4295.9 Ų95.935%0.34749%0.49SS..Hα-helixtrans-64.1-39.6175.200000111.9D321 N323 Q328 V329D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.1Å; D321-A325 PolarHBondContact O-N 3.42Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 2.87Å; A325-Q328 PolarHBondContact O-N 3.45Å; A325-V329 WeakPolarHBondContact O-CB 3.5Å; A325-V329 VanDerWaalsContact O-CG2 3.24Å; A325-V329 WeakPolarHBondContact O-CG2 3.21Å; A325-V329 PolarHBondContact O-N 3.17Å
326K84Confident85Confident100 Ų10097.2 Ų97.244%0.43549%0.493SS..Hα-helixtrans-61.2-44.7170.8-75.6164.8-165.8155.10111.5L322 N323 V329 I330L322-K326 WeakPolarHBondContact O-CB 3.42Å; L322-K326 WeakPolarHBondContact O-CG 3.5Å; L322-K326 PolarHBondContact O-N 2.72Å; N323-K326 WeakPolarHBondContact O-CB 3.39Å; N323-K326 PolarHBondContact O-N 2.7Å; N323-K326 PolarHBondContact OD1-NZ 3.44Å; K326-V329 PolarHBondContact O-N 3.03Å; K326-I330 WeakPolarHBondContact O-CB 3.25Å; K326-I330 WeakPolarHBondContact O-CD1 3.45Å; K326-I330 WeakPolarHBondContact O-CG1 3.19Å; K326-I330 PolarHBondContact O-N 3.27Å
327E85.2Confident85Confident143 Ų14398.6 Ų98.667%0.66850%0.5SS*.Hα-helixtrans-64.7-42.6177-73.1-166.4154.400112N323 Q324 V329 I330 H331N323-E327 PolarHBondContact O-N 2.86Å; Q324-E327 PolarHBondContact O-N 3.29Å; E327-V329 PolarHBondContact O-N 2.89Å; E327-I330 PolarHBondContact O-N 2.92Å; E327-H331 WeakPolarHBondContact O-CB 3.48Å; E327-H331 PolarHBondContact O-N 2.92Å
328Q86.5Confident85.1Confident123 Ų12398.8 Ų98.858%0.57550%0.5SS*.Hα-helixtrans-62.8-39173.3-71.9177.221.600112Q324 A325 H331 S332Q324-Q328 WeakPolarHBondContact O-CB 3.32Å; Q324-Q328 VanDerWaalsContact O-CG 3.3Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.75Å; A325-Q328 PolarHBondContact O-N 3.45Å; Q328-H331 PolarHBondContact O-N 3.36Å; Q328-S332 WeakPolarHBondContact O-CB 3.44Å; Q328-S332 PolarHBondContact O-N 2.85Å; Q328-S332 PolarHBondContact O-OG 2.95Å
329V84.5Confident85Confident73 Ų7398 Ų9844%0.44250%0.496SS..Hα-helixtrans-69.4-37.5174.2166.80000111.5A325 K326 E327 R333A325-V329 WeakPolarHBondContact O-CB 3.5Å; A325-V329 VanDerWaalsContact O-CG2 3.24Å; A325-V329 WeakPolarHBondContact O-CG2 3.21Å; A325-V329 PolarHBondContact O-N 3.17Å; K326-V329 PolarHBondContact O-N 3.03Å; E327-V329 PolarHBondContact O-N 2.89Å; V329-R333 HydrophobicContact CG1-CG 4.47Å; V329-R333 VanDerWaalsContact O-CB 3.26Å; V329-R333 WeakPolarHBondContact O-CB 3.3Å; V329-R333 VanDerWaalsContact O-CG 3.25Å; V329-R333 WeakPolarHBondContact O-CG 3.26Å; V329-R333 PolarHBondContact O-N 3.3Å
330I86.2Confident85Confident89 Ų89102.1 Ų102.146%0.45651%0.509SS..Hα-helixtrans-66.7-42.3173.8-71.9163.1000110.6K326 E327 R333 K334K326-I330 WeakPolarHBondContact O-CB 3.25Å; K326-I330 WeakPolarHBondContact O-CD1 3.45Å; K326-I330 WeakPolarHBondContact O-CG1 3.19Å; K326-I330 PolarHBondContact O-N 3.27Å; E327-I330 PolarHBondContact O-N 2.92Å; I330-R333 PolarHBondContact O-N 3.3Å; I330-K334 HydrophobicContact CG2-CD 4.36Å; I330-K334 WeakPolarHBondContact O-CG 3.33Å; I330-K334 PolarHBondContact O-N 3.42Å
331H87.1Confident84.9Confident136 Ų136100.3 Ų100.363%0.6351%0.506SS*.Hα-helixtrans-65.3-44.5175.6-170.487000111.2E327 Q328 R333 K334 S335E327-H331 WeakPolarHBondContact O-CB 3.48Å; E327-H331 PolarHBondContact O-N 2.92Å; Q328-H331 PolarHBondContact O-N 3.36Å; H331-R333 PolarHBondContact O-N 3.08Å; H331-K334 PolarHBondContact O-N 2.84Å; H331-S335 WeakPolarHBondContact O-CB 3.5Å; H331-S335 PolarHBondContact O-N 3.28Å
332S82.7Confident84.9Confident62 Ų62101.3 Ų101.343%0.43451%0.508SS..Hα-helixtrans-65.2-37176-59.20000112.2Q328 S335 L336Q328-S332 WeakPolarHBondContact O-CB 3.44Å; Q328-S332 PolarHBondContact O-N 2.85Å; Q328-S332 PolarHBondContact O-OG 2.95Å; S332-S335 PolarHBondContact O-N 3.31Å; S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 3.39Å
333R86.1Confident85Confident174 Ų174101 Ų10166%0.65751%0.506SS*.Hα-helixtrans-65.2-44.9172.3-80.8177.1176.1-178.3-0.6111.9V329 I330 H331 S335 L336 E337V329-R333 HydrophobicContact CG1-CG 4.47Å; V329-R333 VanDerWaalsContact O-CB 3.26Å; V329-R333 WeakPolarHBondContact O-CB 3.3Å; V329-R333 VanDerWaalsContact O-CG 3.25Å; V329-R333 WeakPolarHBondContact O-CG 3.26Å; V329-R333 PolarHBondContact O-N 3.3Å; I330-R333 PolarHBondContact O-N 3.3Å; H331-R333 PolarHBondContact O-N 3.08Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; R333-L336 PolarHBondContact O-N 2.81Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.36Å; R333-E337 PolarHBondContact O-N 3.43Å
334K86.8Confident85Confident126 Ų126100.7 Ų100.755%0.54851%0.51SS..Hα-helixtrans-61.7-40.8173.9-73.1173.9179.9179.70111.7I330 H331 E337 I338I330-K334 HydrophobicContact CG2-CD 4.36Å; I330-K334 WeakPolarHBondContact O-CG 3.33Å; I330-K334 PolarHBondContact O-N 3.42Å; H331-K334 PolarHBondContact O-N 2.84Å; K334-E337 PolarHBondContact O-N 3.49Å; K334-I338 WeakPolarHBondContact O-CB 3.24Å; K334-I338 WeakPolarHBondContact O-CD1 3.48Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.44Å; K334-I338 PolarHBondContact O-N 3.11Å
335S85.9Confident85Confident53 Ų5398.7 Ų98.737%0.37151%0.507SS..Hα-helixtrans-63.7-45174.8-172.90000111.8H331 S332 R333 E337 I338 L339H331-S335 WeakPolarHBondContact O-CB 3.5Å; H331-S335 PolarHBondContact O-N 3.28Å; S332-S335 PolarHBondContact O-N 3.31Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; S335-E337 PolarHBondContact O-N 2.99Å; S335-I338 PolarHBondContact O-N 3.33Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.47Å; S335-L339 PolarHBondContact O-N 3.27Å
336L79.6Confident85Confident111 Ų11199.5 Ų99.558%0.58151%0.51SS*.Hα-helixtrans-63.2-37.7173.6-77.6168.3000112.7S332 R333 L339 Q340S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 3.39Å; R333-L336 PolarHBondContact O-N 2.81Å; L336-L339 PolarHBondContact O-N 3.12Å; L336-Q340 WeakPolarHBondContact O-CB 3.39Å; L336-Q340 PolarHBondContact O-N 3.24Å
337E84.8Confident85.2Confident140 Ų140102.1 Ų102.165%0.65452%0.517SS*.Hα-helixtrans-68.9-40.8177.7-171.6167.6-135.400111.4R333 K334 S335 Q340 S341R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.36Å; R333-E337 PolarHBondContact O-N 3.43Å; K334-E337 PolarHBondContact O-N 3.49Å; S335-E337 PolarHBondContact O-N 2.99Å; E337-Q340 PolarHBondContact O-N 3.14Å; E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 3.21Å
338I87.1Confident85.1Confident95 Ų9598.5 Ų98.549%0.48751%0.505SS..Hα-helixtrans-61-54.3169.4-69163.9000110K334 S335 Q340 S341 E342K334-I338 WeakPolarHBondContact O-CB 3.24Å; K334-I338 WeakPolarHBondContact O-CD1 3.48Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.44Å; K334-I338 PolarHBondContact O-N 3.11Å; S335-I338 PolarHBondContact O-N 3.33Å; I338-Q340 VanDerWaalsContact C-N 3.26Å; I338-Q340 PolarHBondContact O-N 3.01Å; I338-S341 CarbonylContact O-C 3.56Å; I338-S341 WeakPolarHBondContact O-CA 3.28Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.23Å; I338-S341 PolarHBondContact O-OG 2.93Å; I338-E342 HydrophobicContact CG2-CG 4.41Å; I338-E342 WeakPolarHBondContact O-CG 3.46Å; I338-E342 PolarHBondContact O-N 3.45Å
339L83.5Confident85.1Confident92 Ų9298.4 Ų98.448%0.48251%0.506SS..Hα-helixtrans-60.2-32.5178.7-75.2166.8000112.7S335 L336 L343S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.47Å; S335-L339 PolarHBondContact O-N 3.27Å; L336-L339 PolarHBondContact O-N 3.12Å; L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 3.42Å
340Q86.2Confident84.9Confident141 Ų141100.4 Ų100.466%0.65951%0.513SS*.Hα-helixtrans-73.1-36174.9-176.3169.3-10.900111.2L336 E337 I338 S344L336-Q340 WeakPolarHBondContact O-CB 3.39Å; L336-Q340 PolarHBondContact O-N 3.24Å; E337-Q340 PolarHBondContact O-N 3.14Å; I338-Q340 VanDerWaalsContact C-N 3.26Å; I338-Q340 PolarHBondContact O-N 3.01Å; Q340-S344 WeakPolarHBondContact O-CB 3.21Å; Q340-S344 PolarHBondContact O-N 3.02Å
341S83.5Confident84.9Confident63 Ų63100.9 Ų100.944%0.44152%0.516SS..Hα-helixtrans-65.2-44.5170.185.40000111.4E337 I338 S344 S345E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 3.21Å; I338-S341 CarbonylContact O-C 3.56Å; I338-S341 WeakPolarHBondContact O-CA 3.28Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.23Å; I338-S341 PolarHBondContact O-OG 2.93Å; S341-S344 PolarHBondContact O-N 3.11Å; S341-S344 PolarHBondContact O-OG 3.1Å; S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.34Å
342E86.9Confident84.9Confident103 Ų103101 Ų10148%0.48151%0.514SS..Hα-helixtrans-65.7-38.7176.2-70.7-177.4162.300112I338 S345 S346I338-E342 HydrophobicContact CG2-CG 4.41Å; I338-E342 WeakPolarHBondContact O-CG 3.46Å; I338-E342 PolarHBondContact O-N 3.45Å; E342-S345 PolarHBondContact O-N 3.36Å; E342-S346 WeakPolarHBondContact O-CB 3.4Å; E342-S346 PolarHBondContact O-N 2.96Å; E342-S346 PolarHBondContact O-OG 3.21Å
343L85.6Confident84.8Confident87 Ų87100.3 Ų100.346%0.45551%0.51SS..Hα-helixtrans-67-37.3172.9-177.765.3000111.3L339 R347L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 3.42Å; L343-R347 HydrophobicContact CD1-CG 4.46Å; L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 WeakPolarHBondContact O-CG 3.24Å; L343-R347 PolarHBondContact O-N 2.89Å
344S84.3Confident84.9Confident66 Ų66101 Ų10146%0.46251%0.512SS..Hα-helixtrans-68.6-39.7174.881.40000111.9Q340 S341 T348Q340-S344 WeakPolarHBondContact O-CB 3.21Å; Q340-S344 PolarHBondContact O-N 3.02Å; S341-S344 PolarHBondContact O-N 3.11Å; S341-S344 PolarHBondContact O-OG 3.1Å; S344-T348 WeakPolarHBondContact O-CB 3.3Å; S344-T348 PolarHBondContact O-N 3.28Å; S344-T348 PolarHBondContact O-OG1 3.42Å
345S86.4Confident84.8Confident54 Ų5499.3 Ų99.338%0.37851%0.506SS..Hα-helixtrans-64.4-48.4173.8-175.20000110.6S341 E342 R347 T348 M349S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.34Å; E342-S345 PolarHBondContact O-N 3.36Å; S345-R347 PolarHBondContact O-N 2.91Å; S345-T348 CarbonylContact O-C 3.59Å; S345-T348 WeakPolarHBondContact O-CA 3.32Å; S345-T348 WeakPolarHBondContact O-CB 3.45Å; S345-T348 PolarHBondContact O-N 3.49Å; S345-T348 VanDerWaalsContact O-N 3.08Å; S345-M349 WeakPolarHBondContact O-CG 3.45Å; S345-M349 PolarHBondContact O-N 3.42Å
346S83Confident84.8Confident58 Ų58101.2 Ų101.241%0.40651%0.509SS..Hα-helixtrans-63.7-41.5177.2-60.20000112.1E342 T348 M349 L350E342-S346 WeakPolarHBondContact O-CB 3.4Å; E342-S346 PolarHBondContact O-N 2.96Å; E342-S346 PolarHBondContact O-OG 3.21Å; S346-T348 VanDerWaalsContact C-N 3.32Å; S346-T348 PolarHBondContact O-N 2.93Å; S346-M349 PolarHBondContact O-N 2.86Å; S346-L350 WeakPolarHBondContact O-CB 3.21Å; S346-L350 VanDerWaalsContact O-CG 3.27Å; S346-L350 WeakPolarHBondContact O-CG 3.4Å; S346-L350 PolarHBondContact O-N 2.85Å
347R86.8Confident85Confident155 Ų155101 Ų10159%0.58551%0.508SS*.Hα-helixtrans-61.3-40.6170.7-78172.3177.3-176.90.3111.3L343 S345 L350 I351L343-R347 HydrophobicContact CD1-CG 4.46Å; L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 WeakPolarHBondContact O-CG 3.24Å; L343-R347 PolarHBondContact O-N 2.89Å; S345-R347 PolarHBondContact O-N 2.91Å; R347-L350 PolarHBondContact O-N 3.38Å; R347-I351 WeakPolarHBondContact O-CB 3.35Å; R347-I351 WeakPolarHBondContact O-CD1 3.49Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.3Å; R347-I351 PolarHBondContact O-N 3.49Å
348T84.5Confident85Confident68 Ų6898.7 Ų98.742%0.41750%0.503SS..Hα-helixtrans-66.1-39175.9-57.60000111.8S344 S345 S346 I351 K352S344-T348 WeakPolarHBondContact O-CB 3.3Å; S344-T348 PolarHBondContact O-N 3.28Å; S344-T348 PolarHBondContact O-OG1 3.42Å; S345-T348 CarbonylContact O-C 3.59Å; S345-T348 WeakPolarHBondContact O-CA 3.32Å; S345-T348 WeakPolarHBondContact O-CB 3.45Å; S345-T348 PolarHBondContact O-N 3.49Å; S345-T348 VanDerWaalsContact O-N 3.08Å; S346-T348 VanDerWaalsContact C-N 3.32Å; S346-T348 PolarHBondContact O-N 2.93Å; T348-I351 PolarHBondContact O-N 3.25Å; T348-K352 HydrophobicContact CG2-CD 4.44Å; T348-K352 WeakPolarHBondContact O-CB 3.24Å; T348-K352 WeakPolarHBondContact O-CG 3.5Å; T348-K352 PolarHBondContact O-N 3.32Å
349M85.1Confident84.9Confident121 Ų12199.8 Ų99.860%0.59650%0.504SS*.Hα-helixtrans-67.3-38.5172.5-67.1-166.5-145.700112.2S345 S346 K352 S353S345-M349 WeakPolarHBondContact O-CG 3.45Å; S345-M349 PolarHBondContact O-N 3.42Å; S346-M349 PolarHBondContact O-N 2.86Å; M349-K352 PolarHBondContact O-N 2.98Å; M349-S353 WeakPolarHBondContact O-CB 3.37Å; M349-S353 PolarHBondContact O-N 3.43Å; M349-S353 PolarHBondContact O-OG 3.37Å
350L81.9Confident84.9Confident115 Ų115102.9 Ų102.960%0.60251%0.509SS*.Hα-helixtrans-69.7-32.6175.4-74169.7000112.6S346 R347 S353 R354S346-L350 WeakPolarHBondContact O-CB 3.21Å; S346-L350 VanDerWaalsContact O-CG 3.27Å; S346-L350 WeakPolarHBondContact O-CG 3.4Å; S346-L350 PolarHBondContact O-N 2.85Å; R347-L350 PolarHBondContact O-N 3.38Å; L350-S353 WeakPolarHBondContact CA-OG 3.44Å; L350-S353 PolarHBondContact O-OG 2.84Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.09Å
351I85.7Confident84.7Confident99 Ų9999.3 Ų99.351%0.50850%0.5SS..Hα-helixtrans-67-49.6170.4-71.2162.5000109.3R347 T348 S353 R354 E355R347-I351 WeakPolarHBondContact O-CB 3.35Å; R347-I351 WeakPolarHBondContact O-CD1 3.49Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.3Å; R347-I351 PolarHBondContact O-N 3.49Å; T348-I351 PolarHBondContact O-N 3.25Å; I351-S353 PolarHBondContact O-N 2.84Å; I351-R354 PolarHBondContact O-N 3.38Å; I351-E355 WeakPolarHBondContact O-CG 3.47Å; I351-E355 PolarHBondContact O-N 3.09Å
352K86.4Confident84.6Confident137 Ų137100.4 Ų100.460%0.59650%0.498SS*.Hα-helixtrans-61.2-41.6177.1-74175.2179.9-179.70112.9T348 M349 E355 E356T348-K352 HydrophobicContact CG2-CD 4.44Å; T348-K352 WeakPolarHBondContact O-CB 3.24Å; T348-K352 WeakPolarHBondContact O-CG 3.5Å; T348-K352 PolarHBondContact O-N 3.32Å; M349-K352 PolarHBondContact O-N 2.98Å; K352-E355 WeakPolarHBondContact O-CB 3.48Å; K352-E355 PolarHBondContact O-N 3.32Å; K352-E356 WeakPolarHBondContact O-CB 3.21Å; K352-E356 PolarHBondContact O-N 3.39Å
353S81.5Confident84.5Confident48 Ų4899.9 Ų99.934%0.33650%0.498SS..Hα-helixtrans-72.8-32.417772.10000111.9M349 L350 I351 E356 I357M349-S353 WeakPolarHBondContact O-CB 3.37Å; M349-S353 PolarHBondContact O-N 3.43Å; M349-S353 PolarHBondContact O-OG 3.37Å; L350-S353 WeakPolarHBondContact CA-OG 3.44Å; L350-S353 PolarHBondContact O-OG 2.84Å; I351-S353 PolarHBondContact O-N 2.84Å; S353-E356 PolarHBondContact O-N 3.03Å; S353-I357 WeakPolarHBondContact O-CB 3.37Å; S353-I357 WeakPolarHBondContact O-CD1 3.49Å; S353-I357 WeakPolarHBondContact O-CG1 3.42Å; S353-I357 PolarHBondContact O-N 2.85Å
354R86.6Confident84.2Confident188 Ų188102 Ų10271%0.70951%0.506SS*.Hα-helixtrans-66.6-41.8169.6-175.3178.6-179.2-169.70.1111.9L350 I351 E356 I357 V358L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.09Å; I351-R354 PolarHBondContact O-N 3.38Å; R354-E356 VanDerWaalsContact C-N 3.3Å; R354-E356 PolarHBondContact O-N 3.23Å; R354-I357 PolarHBondContact O-N 3.27Å; R354-V358 WeakPolarHBondContact O-CB 3.19Å; R354-V358 VanDerWaalsContact O-CG2 3.3Å; R354-V358 WeakPolarHBondContact O-CG2 3.26Å; R354-V358 PolarHBondContact O-N 3.46Å
355E86.5Confident84.1Confident92 Ų92102.9 Ų102.943%0.4350%0.503SS..Hα-helixtrans-60.5-41170.9-76.8178.5-148.400111.5I351 K352 V358 K359I351-E355 WeakPolarHBondContact O-CG 3.47Å; I351-E355 PolarHBondContact O-N 3.09Å; K352-E355 WeakPolarHBondContact O-CB 3.48Å; K352-E355 PolarHBondContact O-N 3.32Å; E355-V358 PolarHBondContact O-N 3.49Å; E355-K359 WeakPolarHBondContact O-CB 3.49Å; E355-K359 WeakPolarHBondContact O-CD 3.23Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 3.26Å; E355-K359 IonicContact OE2-NZ 2.67Å; E355-K359 PolarHBondContact OE2-NZ 3.1Å
356E84.4Confident83.9Confident92 Ų92105.2 Ų105.243%0.4351%0.508SS..Hα-helixtrans-70.2-36.3177.1-154.6-168.3135.700111.9K352 S353 R354 V358 K359 R360K352-E356 WeakPolarHBondContact O-CB 3.21Å; K352-E356 PolarHBondContact O-N 3.39Å; S353-E356 PolarHBondContact O-N 3.03Å; R354-E356 VanDerWaalsContact C-N 3.3Å; R354-E356 PolarHBondContact O-N 3.23Å; E356-V358 VanDerWaalsContact C-N 3.35Å; E356-K359 PolarHBondContact O-N 2.67Å; E356-R360 VanDerWaalsContact O-CB 3.27Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.26Å; E356-R360 IonicContact OE1-CZ 3.6Å; E356-R360 IonicContact OE1-NE 2.91Å; E356-R360 PolarHBondContact OE1-NE 2.88Å; E356-R360 IonicContact OE1-NH2 2.6Å; E356-R360 PolarHBondContact OE1-NH2 3.37Å
357I83.6Confident83.7Confident108 Ų108107.8 Ų107.855%0.55452%0.517SS*.Hα-helixtrans-64.9-38.3170.8-72.7162.6000110.6S353 R354 R360 S361S353-I357 WeakPolarHBondContact O-CB 3.37Å; S353-I357 WeakPolarHBondContact O-CD1 3.49Å; S353-I357 WeakPolarHBondContact O-CG1 3.42Å; S353-I357 PolarHBondContact O-N 2.85Å; R354-I357 PolarHBondContact O-N 3.27Å; I357-R360 PolarHBondContact O-N 2.98Å; I357-S361 WeakPolarHBondContact O-CB 3.28Å; I357-S361 PolarHBondContact O-N 3.34Å
358V85.9Confident83.5Confident90 Ų90106 Ų10655%0.54552%0.515SS..Hα-helixtrans-68.2-41173.8168.40000111.1R354 E355 E356 S361 H362R354-V358 WeakPolarHBondContact O-CB 3.19Å; R354-V358 VanDerWaalsContact O-CG2 3.3Å; R354-V358 WeakPolarHBondContact O-CG2 3.26Å; R354-V358 PolarHBondContact O-N 3.46Å; E355-V358 PolarHBondContact O-N 3.49Å; E356-V358 VanDerWaalsContact C-N 3.35Å; V358-S361 PolarHBondContact O-N 3.41Å; V358-H362 WeakPolarHBondContact O-CB 3.42Å; V358-H362 PolarHBondContact O-N 2.82Å
359K85.5Confident83.3Confident119 Ų119108 Ų10852%0.51752%0.518SS..Hα-helixtrans-63.8-43.2173.3-72.9158.2-176.9155.90111.4E355 E356 H362 N363E355-K359 WeakPolarHBondContact O-CB 3.49Å; E355-K359 WeakPolarHBondContact O-CD 3.23Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 3.26Å; E355-K359 IonicContact OE2-NZ 2.67Å; E355-K359 PolarHBondContact OE2-NZ 3.1Å; E356-K359 PolarHBondContact O-N 2.67Å; K359-H362 PolarHBondContact O-N 3.35Å; K359-N363 WeakPolarHBondContact O-CB 3.34Å; K359-N363 PolarHBondContact O-N 3.44Å; K359-N363 PolarHBondContact O-OD1 2.81Å
360R82.4Confident83.2Confident156 Ų156104.5 Ų104.559%0.58951%0.505SS*.Hα-helixtrans-65-44.6174.8-74.3170.3-177.3-1337.7111.2E356 I357 N363 E364E356-R360 VanDerWaalsContact O-CB 3.27Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.26Å; E356-R360 IonicContact OE1-CZ 3.6Å; E356-R360 IonicContact OE1-NE 2.91Å; E356-R360 PolarHBondContact OE1-NE 2.88Å; E356-R360 IonicContact OE1-NH2 2.6Å; E356-R360 PolarHBondContact OE1-NH2 3.37Å; I357-R360 PolarHBondContact O-N 2.98Å; R360-N363 CarbonylContact O-C 3.59Å; R360-N363 PolarHBondContact O-N 2.81Å; R360-E364 WeakPolarHBondContact O-CB 3.36Å; R360-E364 PolarHBondContact O-N 3.26Å
361S81.7Confident83Confident66 Ų66103.6 Ų103.646%0.46250%0.5SS..Hα-helixtrans-66-35.7177.2177.70000112.1I357 V358 E364 E365I357-S361 WeakPolarHBondContact O-CB 3.28Å; I357-S361 PolarHBondContact O-N 3.34Å; V358-S361 PolarHBondContact O-N 3.41Å; S361-E364 CarbonylContact O-C 3.53Å; S361-E364 PolarHBondContact O-N 2.71Å; S361-E365 VanDerWaalsContact O-CB 3.27Å; S361-E365 WeakPolarHBondContact O-CB 3.49Å; S361-E365 PolarHBondContact O-N 2.79Å
362H82.8Confident82.7Confident87 Ų87104.5 Ų104.540%0.40350%0.502SS..Hα-helixtrans-72.8-36.6172.3-173.657.6000112.2V358 K359 E364 E365 Q366V358-H362 WeakPolarHBondContact O-CB 3.42Å; V358-H362 PolarHBondContact O-N 2.82Å; K359-H362 PolarHBondContact O-N 3.35Å; H362-E364 VanDerWaalsContact C-N 3.3Å; H362-E365 IonicContact CE1-OE2 2.77Å; H362-E365 IonicContact ND1-OE2 3.88Å; H362-E365 PolarHBondContact ND1-OE2 2.64Å; H362-E365 PolarHBondContact O-N 2.85Å; H362-Q366 PolarHBondContact CD2-NE2 3.02Å; H362-Q366 PolarHBondContact NE2-NE2 3.46Å; H362-Q366 WeakPolarHBondContact O-CB 3.44Å; H362-Q366 WeakPolarHBondContact O-CG 3.45Å; H362-Q366 PolarHBondContact O-N 3.47Å
363N83.5Confident82.5Confident91 Ų91104 Ų10449%0.48750%0.5SS..Hα-helixtrans-65.9-33.9170.1-71.1-4.3000111.7K359 R360 Q366 L367K359-N363 WeakPolarHBondContact O-CB 3.34Å; K359-N363 PolarHBondContact O-N 3.44Å; K359-N363 PolarHBondContact O-OD1 2.81Å; R360-N363 CarbonylContact O-C 3.59Å; R360-N363 PolarHBondContact O-N 2.81Å; N363-Q366 PolarHBondContact O-N 2.79Å; N363-L367 VanDerWaalsContact O-CB 3.23Å; N363-L367 WeakPolarHBondContact O-CB 3.4Å; N363-L367 WeakPolarHBondContact O-CG 3.41Å; N363-L367 PolarHBondContact O-N 3.14Å
364E80.3Confident82.3Confident131 Ų131106.6 Ų106.661%0.61251%0.51SS*.Hα-helixtrans-74.2-33.2175.7-170.7167.9-139.400111.2R360 S361 H362 L367 E368R360-E364 WeakPolarHBondContact O-CB 3.36Å; R360-E364 PolarHBondContact O-N 3.26Å; S361-E364 CarbonylContact O-C 3.53Å; S361-E364 PolarHBondContact O-N 2.71Å; H362-E364 VanDerWaalsContact C-N 3.3Å; E364-L367 CarbonylContact O-C 3.53Å; E364-L367 PolarHBondContact O-N 2.96Å; E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 PolarHBondContact O-N 3.03Å
365E81.8Confident81.9Confident85 Ų85103.6 Ų103.640%0.39750%0.502SS..Hα-helixtrans-69.7-39.9169.2-171.8-155.6178.800111.4S361 H362 E368 K369S361-E365 VanDerWaalsContact O-CB 3.27Å; S361-E365 WeakPolarHBondContact O-CB 3.49Å; S361-E365 PolarHBondContact O-N 2.79Å; H362-E365 IonicContact CE1-OE2 2.77Å; H362-E365 IonicContact ND1-OE2 3.88Å; H362-E365 PolarHBondContact ND1-OE2 2.64Å; H362-E365 PolarHBondContact O-N 2.85Å; E365-E368 PolarHBondContact O-N 3.39Å; E365-K369 VanDerWaalsContact CD-NZ 3.26Å; E365-K369 HydrophobicContact CG-CD 4.43Å; E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.37Å; E365-K369 WeakPolarHBondContact O-CD 3.49Å; E365-K369 WeakPolarHBondContact O-CG 3.35Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 VanDerWaalsContact OE1-CE 3.31Å; E365-K369 WeakPolarHBondContact OE1-CE 3.29Å; E365-K369 IonicContact OE1-NZ 3.18Å; E365-K369 PolarHBondContact OE1-NZ 2.68Å; E365-K369 IonicContact OE2-NZ 3.44Å
366Q82Confident81.5Confident104 Ų104104.2 Ų104.249%0.48651%0.508SS..Hα-helixtrans-66.7-40.8171.3-74.7-172.726.900111.2H362 N363 K369 S370H362-Q366 PolarHBondContact CD2-NE2 3.02Å; H362-Q366 PolarHBondContact NE2-NE2 3.46Å; H362-Q366 WeakPolarHBondContact O-CB 3.44Å; H362-Q366 WeakPolarHBondContact O-CG 3.45Å; H362-Q366 PolarHBondContact O-N 3.47Å; N363-Q366 PolarHBondContact O-N 2.79Å; Q366-K369 PolarHBondContact O-N 3.37Å; Q366-S370 WeakPolarHBondContact O-CB 3.11Å; Q366-S370 PolarHBondContact O-N 2.96Å
367L79.4Confident81.3Confident112 Ų112103.1 Ų103.159%0.58650%0.503SS*.Hα-helixtrans-66.5-41.3174.3-79.5167.3000110.9N363 E364 S370 L371N363-L367 VanDerWaalsContact O-CB 3.23Å; N363-L367 WeakPolarHBondContact O-CB 3.4Å; N363-L367 WeakPolarHBondContact O-CG 3.41Å; N363-L367 PolarHBondContact O-N 3.14Å; E364-L367 CarbonylContact O-C 3.53Å; E364-L367 PolarHBondContact O-N 2.96Å; L367-S370 WeakPolarHBondContact CA-OG 3.36Å; L367-S370 CarbonylContact O-C 3.58Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 2.85Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.13Å; L367-L371 WeakPolarHBondContact O-CB 3.36Å; L367-L371 PolarHBondContact O-N 3.43Å
368E81.9Confident81.1Confident117 Ų117102.9 Ų102.955%0.54750%0.502SS..Hα-helixtrans-70.8-32.4175.9-175.3161.9-141.600111.6E364 E365 S370 L371 Q372E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 PolarHBondContact O-N 3.03Å; E365-E368 PolarHBondContact O-N 3.39Å; E368-S370 VanDerWaalsContact C-N 3.34Å; E368-L371 CarbonylContact O-C 3.6Å; E368-L371 PolarHBondContact O-N 2.98Å; E368-Q372 HydrophobicContact CG-CG 4.49Å; E368-Q372 VanDerWaalsContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CB 3.21Å; E368-Q372 VanDerWaalsContact O-CG 3.31Å; E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.77Å
369K81.5Confident80.7Confident111 Ų111104.5 Ų104.548%0.48350%0.503SS..Hα-helixtrans-64.9-37.7165.4-76166.1-175.41700111.5E365 Q366 K373E365-K369 VanDerWaalsContact CD-NZ 3.26Å; E365-K369 HydrophobicContact CG-CD 4.43Å; E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.37Å; E365-K369 WeakPolarHBondContact O-CD 3.49Å; E365-K369 WeakPolarHBondContact O-CG 3.35Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 VanDerWaalsContact OE1-CE 3.31Å; E365-K369 WeakPolarHBondContact OE1-CE 3.29Å; E365-K369 IonicContact OE1-NZ 3.18Å; E365-K369 PolarHBondContact OE1-NZ 2.68Å; E365-K369 IonicContact OE2-NZ 3.44Å; Q366-K369 PolarHBondContact O-N 3.37Å; K369-K373 VanDerWaalsContact O-CB 3.26Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 2.65Å
370S81.9Confident80.4Confident47 Ų47103.3 Ų103.333%0.32950%0.5SS..Hα-helixtrans-71.3-30.1173.587.30000112.5Q366 L367 E368 K373 L374Q366-S370 WeakPolarHBondContact O-CB 3.11Å; Q366-S370 PolarHBondContact O-N 2.96Å; L367-S370 WeakPolarHBondContact CA-OG 3.36Å; L367-S370 CarbonylContact O-C 3.58Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 2.85Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.13Å; E368-S370 VanDerWaalsContact C-N 3.34Å; S370-K373 PolarHBondContact O-N 3.12Å; S370-L374 VanDerWaalsContact O-CB 3.24Å; S370-L374 WeakPolarHBondContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CG 3.47Å; S370-L374 PolarHBondContact O-N 3.35Å
371L78.6Confident80.2Confident95 Ų9599.6 Ų99.650%0.49749%0.494SS..Hα-helixtrans-82.8-28.8177.4-117.8170.2000111.4L367 E368 K375L367-L371 WeakPolarHBondContact O-CB 3.36Å; L367-L371 PolarHBondContact O-N 3.43Å; E368-L371 CarbonylContact O-C 3.6Å; E368-L371 PolarHBondContact O-N 2.98Å; L371-K375 HydrophobicContact CD2-CG 4.48Å; L371-K375 WeakPolarHBondContact O-CA 3.5Å; L371-K375 WeakPolarHBondContact O-CB 3.48Å; L371-K375 WeakPolarHBondContact O-CG 2.97Å; L371-K375 PolarHBondContact O-N 3.19Å
372Q79.3Confident80Confident119 Ų119100.1 Ų100.156%0.55649%0.492SS*.Hα-helixtrans-70.3-42.5164.5-79-174.81.100109.6E368 K375 L376E368-Q372 HydrophobicContact CG-CG 4.49Å; E368-Q372 VanDerWaalsContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CB 3.21Å; E368-Q372 VanDerWaalsContact O-CG 3.31Å; E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.77Å; Q372-K375 CarbonylContact O-C 3.56Å; Q372-K375 PolarHBondContact O-N 2.95Å; Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 3.01Å
373K82.2Confident79.7Confident126 Ų12699.9 Ų99.955%0.54850%0.497SS..Hα-helixtrans-61.2-48.1172.7-173.7172.7-178.4-70.70111.3K369 S370 L376 E377K369-K373 VanDerWaalsContact O-CB 3.26Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 2.65Å; S370-K373 PolarHBondContact O-N 3.12Å; K373-L376 PolarHBondContact O-N 3.45Å; K373-E377 IonicContact NZ-OE1 3.57Å; K373-E377 PolarHBondContact NZ-OE1 3.33Å; K373-E377 IonicContact NZ-OE2 3.25Å; K373-E377 VanDerWaalsContact O-CB 3.27Å; K373-E377 WeakPolarHBondContact O-CB 3.41Å; K373-E377 VanDerWaalsContact O-CG 3.23Å; K373-E377 WeakPolarHBondContact O-CG 3.43Å; K373-E377 PolarHBondContact O-N 2.85Å
374L77.8Confident79.5Confident103 Ų103101.6 Ų101.654%0.53950%0.501SS..Hα-helixtrans-68.1-30.4174.9-86.6159.9000113.1S370 L378S370-L374 VanDerWaalsContact O-CB 3.24Å; S370-L374 WeakPolarHBondContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CG 3.47Å; S370-L374 PolarHBondContact O-N 3.35Å; L374-L378 WeakPolarHBondContact O-CA 3.48Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.07Å
375K77.5Confident79.3Confident124 Ų124100.6 Ų100.654%0.53950%0.495SS..Hα-helixtrans-72.7-37.1170.7-84.2172.4178.4176.50111.6L371 Q372 L378 E379L371-K375 HydrophobicContact CD2-CG 4.48Å; L371-K375 WeakPolarHBondContact O-CA 3.5Å; L371-K375 WeakPolarHBondContact O-CB 3.48Å; L371-K375 WeakPolarHBondContact O-CG 2.97Å; L371-K375 PolarHBondContact O-N 3.19Å; Q372-K375 CarbonylContact O-C 3.56Å; Q372-K375 PolarHBondContact O-N 2.95Å; K375-L378 CarbonylContact O-C 3.57Å; K375-L378 PolarHBondContact O-N 2.86Å; K375-E379 VanDerWaalsContact O-CB 3.24Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.45Å
376L78.7Confident78.9Confident106 Ų10699.6 Ų99.656%0.55550%0.495SS*.Hα-helixtrans-76.8-32.4179.1-155.1163.2000109.8Q372 K373 Q380Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 3.01Å; K373-L376 PolarHBondContact O-N 3.45Å; L376-Q380 HydrophobicContact CD2-CG 4.15Å; L376-Q380 VanDerWaalsContact CD2-NE2 3.32Å; L376-Q380 WeakPolarHBondContact O-CB 3.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.37Å; L376-Q380 PolarHBondContact O-N 2.71Å
377E80.3Confident78.4Confident69 Ų6996.6 Ų96.632%0.32249%0.488SS..Hα-helixtrans-67.2-38.2163.9-74.1167.3175.200111.4K373 Q380 T381K373-E377 IonicContact NZ-OE1 3.57Å; K373-E377 PolarHBondContact NZ-OE1 3.33Å; K373-E377 IonicContact NZ-OE2 3.25Å; K373-E377 VanDerWaalsContact O-CB 3.27Å; K373-E377 WeakPolarHBondContact O-CB 3.41Å; K373-E377 VanDerWaalsContact O-CG 3.23Å; K373-E377 WeakPolarHBondContact O-CG 3.43Å; K373-E377 PolarHBondContact O-N 2.85Å; E377-Q380 CarbonylContact O-C 3.59Å; E377-Q380 PolarHBondContact O-N 3.3Å; E377-T381 WeakPolarHBondContact O-CG2 3.47Å; E377-T381 PolarHBondContact O-N 2.89Å; E377-T381 PolarHBondContact O-OG1 3.13Å
378L77.4Confident77.9Confident102 Ų10294 Ų9453%0.53448%0.482SS..Hα-helixtrans-69.5-41.6174.4-176.565.7000111.4L374 K375 Q380 T381 N382L374-L378 WeakPolarHBondContact O-CA 3.48Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.07Å; K375-L378 CarbonylContact O-C 3.57Å; K375-L378 PolarHBondContact O-N 2.86Å; L378-Q380 VanDerWaalsContact C-N 3.34Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 CarbonylContact O-C 3.48Å; L378-T381 PolarHBondContact O-N 3.44Å; L378-T381 PolarHBondContact O-OG1 3.19Å; L378-N382 WeakPolarHBondContact O-CB 3.26Å; L378-N382 PolarHBondContact O-N 3.14Å
379E78.8Confident77.4Confident124 Ų12493.1 Ų93.158%0.57948%0.478SS*.Hα-helixtrans-62.9-43.2172.7-150.682.1-112.800109K375 N382 V383K375-E379 VanDerWaalsContact O-CB 3.24Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.45Å; E379-N382 CarbonylContact O-C 3.57Å; E379-N382 PolarHBondContact O-N 3.21Å; E379-V383 VanDerWaalsContact O-CB 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.15Å; E379-V383 VanDerWaalsContact O-CG2 3.23Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.99Å
380Q78.8Confident76.8Confident95 Ų9593 Ų9344%0.44448%0.481SS..Hα-helixtrans-63.3-38.8171.3-79.8169.3-3.700111.8L376 E377 L378 V383 H384L376-Q380 HydrophobicContact CD2-CG 4.15Å; L376-Q380 VanDerWaalsContact CD2-NE2 3.32Å; L376-Q380 WeakPolarHBondContact O-CB 3.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.37Å; L376-Q380 PolarHBondContact O-N 2.71Å; E377-Q380 CarbonylContact O-C 3.59Å; E377-Q380 PolarHBondContact O-N 3.3Å; L378-Q380 VanDerWaalsContact C-N 3.34Å; Q380-V383 CarbonylContact O-C 3.59Å; Q380-V383 PolarHBondContact O-N 3.23Å; Q380-H384 VanDerWaalsContact O-CB 3.27Å; Q380-H384 WeakPolarHBondContact O-CB 3.49Å; Q380-H384 PolarHBondContact O-CD2 3.48Å; Q380-H384 PolarHBondContact O-N 2.99Å
381T77.9Confident75.9Confident77 Ų7793.3 Ų93.347%0.47249%0.486SS..Hα-helixtrans-75.8-25.1174.960.20000113.2E377 L378 K385E377-T381 WeakPolarHBondContact O-CG2 3.47Å; E377-T381 PolarHBondContact O-N 2.89Å; E377-T381 PolarHBondContact O-OG1 3.13Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 CarbonylContact O-C 3.48Å; L378-T381 PolarHBondContact O-N 3.44Å; L378-T381 PolarHBondContact O-OG1 3.19Å; T381-K385 WeakPolarHBondContact O-CA 3.47Å; T381-K385 WeakPolarHBondContact O-CB 3.37Å; T381-K385 PolarHBondContact O-N 2.85Å
382N77.1Confident75.4Confident77 Ų7792.2 Ų92.241%0.41249%0.486SS..Hα-helixtrans-75.9-34.6168.6-98.7-18.3000111.3L378 E379 K385 T386L378-N382 WeakPolarHBondContact O-CB 3.26Å; L378-N382 PolarHBondContact O-N 3.14Å; E379-N382 CarbonylContact O-C 3.57Å; E379-N382 PolarHBondContact O-N 3.21Å; N382-K385 PolarHBondContact O-N 3.41Å; N382-T386 WeakPolarHBondContact O-CB 3.42Å; N382-T386 WeakPolarHBondContact O-CG2 3.41Å; N382-T386 PolarHBondContact O-N 3.22Å; N382-T386 PolarHBondContact O-OG1 3Å
383V77.5Confident74.7Confident83 Ų8394 Ų9450%0.50349%0.492SS..Hα-helixtrans-69.9-37.1168.9167.70000110E379 Q380 T386 A387E379-V383 VanDerWaalsContact O-CB 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.15Å; E379-V383 VanDerWaalsContact O-CG2 3.23Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.99Å; Q380-V383 CarbonylContact O-C 3.59Å; Q380-V383 PolarHBondContact O-N 3.23Å; V383-T386 WeakPolarHBondContact CA-OG1 3.19Å; V383-T386 PolarHBondContact O-OG1 3.12Å; V383-A387 VanDerWaalsContact O-CA 3.31Å; V383-A387 WeakPolarHBondContact O-CA 3.41Å; V383-A387 WeakPolarHBondContact O-CB 3.48Å; V383-A387 PolarHBondContact O-N 3.48Å
384H77.9Confident73.8Confident126 Ų12690.6 Ų90.658%0.58348%0.482SS*.Hα-helixtrans-74.8-29.4173.1-68.9-49.4000111.9Q380 A387 A388Q380-H384 VanDerWaalsContact O-CB 3.27Å; Q380-H384 WeakPolarHBondContact O-CB 3.49Å; Q380-H384 PolarHBondContact O-CD2 3.48Å; Q380-H384 PolarHBondContact O-N 2.99Å; H384-A387 CarbonylContact O-C 3.57Å; H384-A388 WeakPolarHBondContact O-CA 3.26Å; H384-A388 WeakPolarHBondContact O-CB 3.49Å; H384-A388 PolarHBondContact O-N 2.81Å
385K77.1Confident72.9Confident111 Ų11188.2 Ų88.248%0.48348%0.477SS..Hα-helixtrans-71.2-53.5172.2-179.7-165162.5-168.40109.9T381 N382 A387 A388 E389T381-K385 WeakPolarHBondContact O-CA 3.47Å; T381-K385 WeakPolarHBondContact O-CB 3.37Å; T381-K385 PolarHBondContact O-N 2.85Å; N382-K385 PolarHBondContact O-N 3.41Å; K385-A387 VanDerWaalsContact C-N 3.26Å; K385-A387 PolarHBondContact O-N 2.85Å; K385-A388 CarbonylContact O-C 3.59Å; K385-A388 WeakPolarHBondContact O-CA 3.43Å; K385-A388 PolarHBondContact O-N 3.32Å; K385-E389 WeakPolarHBondContact CE-OE1 3.45Å; K385-E389 IonicContact NZ-OE1 3.67Å; K385-E389 WeakPolarHBondContact O-CG 3.05Å; K385-E389 PolarHBondContact O-N 3.49Å
386T74.4Confident72.1Confident64 Ų6488.3 Ų88.339%0.39348%0.482SS..Hα-helixtrans-66.2-30.2175.954.80000111.4N382 V383 A388 M390N382-T386 WeakPolarHBondContact O-CB 3.42Å; N382-T386 WeakPolarHBondContact O-CG2 3.41Å; N382-T386 PolarHBondContact O-N 3.22Å; N382-T386 PolarHBondContact O-OG1 3Å; V383-T386 WeakPolarHBondContact CA-OG1 3.19Å; V383-T386 PolarHBondContact O-OG1 3.12Å; T386-A388 VanDerWaalsContact C-N 3.34Å; T386-M390 WeakPolarHBondContact O-CA 3.34Å; T386-M390 WeakPolarHBondContact O-CB 3.19Å; T386-M390 WeakPolarHBondContact O-CG 3.17Å; T386-M390 PolarHBondContact O-N 2.82Å
387A70Confident71.3Confident41 Ų4186 Ų8634%0.33947%0.473SS..Hα-helixtrans-80.8-4.1168.200000114.2V383 H384 K385 A391V383-A387 VanDerWaalsContact O-CA 3.31Å; V383-A387 WeakPolarHBondContact O-CA 3.41Å; V383-A387 WeakPolarHBondContact O-CB 3.48Å; V383-A387 PolarHBondContact O-N 3.48Å; H384-A387 CarbonylContact O-C 3.57Å; K385-A387 VanDerWaalsContact C-N 3.26Å; K385-A387 PolarHBondContact O-N 2.85Å; A387-A391 WeakPolarHBondContact O-CA 3.46Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.44Å
388A70Confident69.8Low57 Ų5784.9 Ų84.947%0.47147%0.469SS..Hα-helixtrans-101.9-23.4166.800000111.9H384 K385 T386 A391 S392H384-A388 WeakPolarHBondContact O-CA 3.26Å; H384-A388 WeakPolarHBondContact O-CB 3.49Å; H384-A388 PolarHBondContact O-N 2.81Å; K385-A388 CarbonylContact O-C 3.59Å; K385-A388 WeakPolarHBondContact O-CA 3.43Å; K385-A388 PolarHBondContact O-N 3.32Å; T386-A388 VanDerWaalsContact C-N 3.34Å; A388-A391 CarbonylContact O-C 3.6Å; A388-S392 WeakPolarHBondContact O-CA 3.34Å; A388-S392 WeakPolarHBondContact O-CB 3.38Å; A388-S392 PolarHBondContact O-N 3.22Å
389E70.5Confident68.7Low98 Ų9889.3 Ų89.346%0.45848%0.48SS..Hα-helixtrans-75.6-40.8165.3-70.1169.2161.800109.5K385 K393K385-E389 WeakPolarHBondContact CE-OE1 3.45Å; K385-E389 IonicContact NZ-OE1 3.67Å; K385-E389 WeakPolarHBondContact O-CG 3.05Å; K385-E389 PolarHBondContact O-N 3.49Å; E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.45Å
390M69.2Low67.3Low110 Ų11090.1 Ų90.154%0.54248%0.484SS..Hα-helixtrans-66.8-58.1163-68.5-173.3-65.500110.1T386 S392 K393 T394T386-M390 WeakPolarHBondContact O-CA 3.34Å; T386-M390 WeakPolarHBondContact O-CB 3.19Å; T386-M390 WeakPolarHBondContact O-CG 3.17Å; T386-M390 PolarHBondContact O-N 2.82Å; M390-S392 CarbonylContact O-C 3.58Å; M390-S392 PolarHBondContact O-N 2.89Å; M390-K393 CarbonylContact O-C 3.59Å; M390-K393 WeakPolarHBondContact O-CA 3.4Å; M390-K393 WeakPolarHBondContact O-CB 3.42Å; M390-K393 PolarHBondContact O-N 3.45Å; M390-T394 WeakPolarHBondContact O-CA 3.34Å; M390-T394 WeakPolarHBondContact O-CB 3.3Å; M390-T394 PolarHBondContact O-N 2.88Å; M390-T394 PolarHBondContact O-OG1 3.43Å; M390-T394 VanDerWaalsContact O-OG1 3.09Å
391A63.9Low66.1Low53 Ų5390.3 Ų90.344%0.43849%0.485SS..Hα-helixtrans-66.22.9176.100000115.6A387 A388 A395A387-A391 WeakPolarHBondContact O-CA 3.46Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.44Å; A388-A391 CarbonylContact O-C 3.6Å; A391-A395 WeakPolarHBondContact O-CA 3.42Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 2.81Å
392S67.9Low64.8Low71 Ų7192.9 Ų92.950%0.49750%0.495SS..Hα-helixtrans-82.8-57.5158.4177.20000109.6A388 M390 T394 A395 I396A388-S392 WeakPolarHBondContact O-CA 3.34Å; A388-S392 WeakPolarHBondContact O-CB 3.38Å; A388-S392 PolarHBondContact O-N 3.22Å; M390-S392 CarbonylContact O-C 3.58Å; M390-S392 PolarHBondContact O-N 2.89Å; S392-T394 PolarHBondContact O-N 3Å; S392-T394 VanDerWaalsContact O-N 3.1Å; S392-A395 PolarHBondContact O-N 3.49Å; S392-I396 WeakPolarHBondContact O-CD1 3.37Å; S392-I396 VanDerWaalsContact O-CG1 3.27Å; S392-I396 WeakPolarHBondContact O-CG1 3.42Å; S392-I396 PolarHBondContact O-N 3.17Å; S392-I396 VanDerWaalsContact O-N 3.08Å
393K65Low63.6Low157 Ų15797.8 Ų97.868%0.68352%0.515SS*.Hα-helixtrans-56.4-24.6170.2-67.8176.4178.1177.90114E389 M390 I396E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.45Å; M390-K393 CarbonylContact O-C 3.59Å; M390-K393 WeakPolarHBondContact O-CA 3.4Å; M390-K393 WeakPolarHBondContact O-CB 3.42Å; M390-K393 PolarHBondContact O-N 3.45Å; K393-I396 WeakPolarHBondContact O-CB 3.45Å
394T63Low62.4Low54 Ų5498.6 Ų98.633%0.33152%0.521SS..THydrogen-bonded Turntrans-113.5-11.5-171.5-54.90000111.3M390 S392 I396 T397 N398M390-T394 WeakPolarHBondContact O-CA 3.34Å; M390-T394 WeakPolarHBondContact O-CB 3.3Å; M390-T394 PolarHBondContact O-N 2.88Å; M390-T394 PolarHBondContact O-OG1 3.43Å; M390-T394 VanDerWaalsContact O-OG1 3.09Å; S392-T394 PolarHBondContact O-N 3Å; S392-T394 VanDerWaalsContact O-N 3.1Å; T394-I396 VanDerWaalsContact C-N 3.31Å; T394-T397 WeakPolarHBondContact CA-OG1 3.33Å; T394-T397 PolarHBondContact O-OG1 3.23Å; T394-N398 HydrophobicContact CG2-CB 4.38Å; T394-N398 VanDerWaalsContact CG2-OD1 3.28Å; T394-N398 WeakPolarHBondContact CG2-OD1 3.38Å; T394-N398 VanDerWaalsContact O-CA 3.3Å; T394-N398 WeakPolarHBondContact O-CA 3.49Å; T394-N398 WeakPolarHBondContact O-CB 3.43Å; T394-N398 VanDerWaalsContact O-CG 3.27Å; T394-N398 PolarHBondContact O-N 3.06Å; T394-N398 PolarHBondContact O-OD1 2.99Å
395A58.8Low60.5Low54 Ų5499 Ų9945%0.44652%0.522SS..Hα-helixtrans-73-32.215300000110A391 S392 T397 N398 Y399A391-A395 WeakPolarHBondContact O-CA 3.42Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 2.81Å; S392-A395 PolarHBondContact O-N 3.49Å; A395-T397 PolarHBondContact O-N 3.19Å; A395-N398 PolarHBondContact O-N 2.67Å; A395-Y399 VanDerWaalsContact O-CB 3.22Å; A395-Y399 WeakPolarHBondContact O-CB 3.4Å; A395-Y399 PolarHBondContact O-N 2.93Å
396I59.7Low59.5Low126 Ų126100.3 Ų100.365%0.64653%0.534SS*.Hα-helixtrans-60.1-31.6170.5-70.7165.1000111.7S392 K393 T394S392-I396 WeakPolarHBondContact O-CD1 3.37Å; S392-I396 VanDerWaalsContact O-CG1 3.27Å; S392-I396 WeakPolarHBondContact O-CG1 3.42Å; S392-I396 PolarHBondContact O-N 3.17Å; S392-I396 VanDerWaalsContact O-N 3.08Å; K393-I396 WeakPolarHBondContact O-CB 3.45Å; T394-I396 VanDerWaalsContact C-N 3.31Å
397T61.5Low58.6Low58 Ų58103.4 Ų103.436%0.35654%0.544SS..Hα-helixtrans-97.2-28.2172.260.80000114.8T394 A395 Q400T394-T397 WeakPolarHBondContact CA-OG1 3.33Å; T394-T397 PolarHBondContact O-OG1 3.23Å; A395-T397 PolarHBondContact O-N 3.19Å; T397-Q400 CarbonylContact O-C 3.59Å; T397-Q400 VanDerWaalsContact O-CA 3.31Å; T397-Q400 WeakPolarHBondContact O-CA 3.19Å; T397-Q400 WeakPolarHBondContact O-CB 3.45Å; T397-Q400 WeakPolarHBondContact O-CG 3.22Å; T397-Q400 PolarHBondContact O-N 3.46Å
398N48.9Very low58Low44 Ų44105.5 Ų105.524%0.23556%0.556CS.*Hα-helixtrans-105-1.7-170.2-61.532.8000113.8T394 A395 Q400 E401 L402T394-N398 HydrophobicContact CG2-CB 4.38Å; T394-N398 VanDerWaalsContact CG2-OD1 3.28Å; T394-N398 WeakPolarHBondContact CG2-OD1 3.38Å; T394-N398 VanDerWaalsContact O-CA 3.3Å; T394-N398 WeakPolarHBondContact O-CA 3.49Å; T394-N398 WeakPolarHBondContact O-CB 3.43Å; T394-N398 VanDerWaalsContact O-CG 3.27Å; T394-N398 PolarHBondContact O-N 3.06Å; T394-N398 PolarHBondContact O-OD1 2.99Å; A395-N398 PolarHBondContact O-N 2.67Å; N398-Q400 PolarHBondContact O-N 3.27Å; N398-E401 HydrophobicContact CB-CB 3.92Å; N398-E401 HydrophobicContact CB-CG 4.38Å; N398-E401 VanDerWaalsContact CG-OE2 3.26Å; N398-E401 PolarHBondContact ND2-OE2 2.83Å; N398-E401 CarbonylContact O-C 3.59Å; N398-E401 PolarHBondContact O-N 3.35Å; N398-E401 PolarHBondContact OD1-OE2 2.82Å; N398-L402 PolarHBondContact O-N 3.35Å
399Y54.8Low57Low195 Ų195111.5 Ų111.577%0.76557%0.568SS**THydrogen-bonded Turntrans-58.6-17.9145.1-167.1-92.4000111.1A395 L402A395-Y399 VanDerWaalsContact O-CB 3.22Å; A395-Y399 WeakPolarHBondContact O-CB 3.4Å; A395-Y399 PolarHBondContact O-N 2.93Å; Y399-L402 HydrophobicContact CD2-CD1 4.3Å
400Q50.4Low56.6Low141 Ų141113.2 Ų113.266%0.65957%0.574SS**THydrogen-bonded Turntrans-97.12.3170-27.2175.5-86.700113.5T397 N398T397-Q400 CarbonylContact O-C 3.59Å; T397-Q400 VanDerWaalsContact O-CA 3.31Å; T397-Q400 WeakPolarHBondContact O-CA 3.19Å; T397-Q400 WeakPolarHBondContact O-CB 3.45Å; T397-Q400 WeakPolarHBondContact O-CG 3.22Å; T397-Q400 PolarHBondContact O-N 3.46Å; N398-Q400 PolarHBondContact O-N 3.27Å
401E53.2Low56.3Low100 Ų100113.4 Ų113.447%0.46758%0.582SS.*THydrogen-bonded Turntrans-125.40.1177.7-61.4-165.3156.600113.8N398 E403 T404N398-E401 HydrophobicContact CB-CB 3.92Å; N398-E401 HydrophobicContact CB-CG 4.38Å; N398-E401 VanDerWaalsContact CG-OE2 3.26Å; N398-E401 PolarHBondContact ND2-OE2 2.83Å; N398-E401 CarbonylContact O-C 3.59Å; N398-E401 PolarHBondContact O-N 3.35Å; N398-E401 PolarHBondContact OD1-OE2 2.82Å; E401-E403 PolarHBondContact O-N 3.23Å; E401-T404 PolarHBondContact O-N 3.42Å; E401-T404 PolarHBondContact O-OG1 3.42Å
402L51Low56.4Low131 Ų131115 Ų11569%0.68659%0.59SS**THydrogen-bonded Turntrans-53.3-20.5176.2-98.5169.6000113.8N398 Y399 T404N398-L402 PolarHBondContact O-N 3.35Å; Y399-L402 HydrophobicContact CD2-CD1 4.3Å; L402-T404 VanDerWaalsContact C-N 3.27Å; L402-T404 PolarHBondContact O-N 3.01Å
403E50.7Low56.3Low180 Ų180117.6 Ų117.684%0.84160%0.598SS**THydrogen-bonded Turntrans-68.9-17.3175.5-63.7-177.1110.200113.9E401E401-E403 PolarHBondContact O-N 3.23Å
404T53.1Low56.6Low100 Ų100116.3 Ų116.361%0.61360%0.597SS**SBendtrans-100.9-20.9-164.763.30000116.3E401 L402E401-T404 PolarHBondContact O-N 3.42Å; E401-T404 PolarHBondContact O-OG1 3.42Å; L402-T404 VanDerWaalsContact C-N 3.27Å; L402-T404 PolarHBondContact O-N 3.01Å
405Q37.7Very low56.9Low133 Ų133119 Ų11962%0.62161%0.613SS**SBendtrans-95.40.1-171.9-65.9-165.92.900115.6E407Q405-E407 PolarHBondContact O-N 3.09Å
406L55.4Low57.4Low139 Ų139122 Ų12273%0.72862%0.621SS**SBendtrans-71.9-25.6-171.1-161.572.9000114.5
407E55.2Low57.8Low130 Ų130123.4 Ų123.461%0.60762%0.624SS**SBendtrans-105-23.9-158.3-16155.1-161.200115.8Q405 K410Q405-E407 PolarHBondContact O-N 3.09Å; E407-K410 IonicContact OE1-NZ 3.71Å; E407-K410 IonicContact OE2-NZ 2.74Å; E407-K410 PolarHBondContact OE2-NZ 2.9Å
408S58.5Low58.2Low84 Ų84125.7 Ų125.759%0.58764%0.639SS**G310 helixtrans-81.4-23.5-173.658.20000115.2K410S408-K410 PolarHBondContact O-N 3.41Å
409Y49.7Very low59.5Low184 Ų184133.1 Ų133.172%0.72266%0.664SS**G310 helixtrans-80.1-9.1-169.8-82.4-74.6000115.7
410K61.5Low60.1Low133 Ų133130.6 Ų130.658%0.57866%0.663SS**G310 helixtrans-74.3-26.8-173.8-68.1168.5-171.8155.30114.5E407 S408E407-K410 IonicContact OE1-NZ 3.71Å; E407-K410 IonicContact OE2-NZ 2.74Å; E407-K410 PolarHBondContact OE2-NZ 2.9Å; S408-K410 PolarHBondContact O-N 3.41Å
411T62Low61.4Low115 Ų115131.8 Ų131.871%0.70667%0.668SS**SBendtrans-92.9-15.4-165.929.80000116
412S66.5Low62.4Low87 Ų87133.4 Ų133.461%0.60868%0.675SS**SBendtrans-83.1-29.9-173.4-167.90000114.3I414S412-I414 VanDerWaalsContact C-N 3.27Å; S412-I414 PolarHBondContact O-N 2.92Å; S412-I414 VanDerWaalsContact O-N 3.16Å
413N65.9Low63.3Low124 Ų124132 Ų13266%0.66367%0.672SS**THydrogen-bonded Turntrans-70.5-16.1-164.9-157.414.4000114.9
414I71.9Confident64.5Low131 Ų131125.7 Ų125.767%0.67266%0.655SS**THydrogen-bonded Turntrans-76.9-33.3-175.1-65.5172.5000111.9S412 I416S412-I414 VanDerWaalsContact C-N 3.27Å; S412-I414 PolarHBondContact O-N 2.92Å; S412-I414 VanDerWaalsContact O-N 3.16Å; I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.35Å
415T69.5Low65.5Low109 Ų109128.3 Ų128.367%0.66966%0.658SS**THydrogen-bonded Turntrans-74.8-17.6-166.3-43.30000114.4
416I69.2Low67.2Low119 Ų119128.7 Ų128.761%0.6166%0.66SS**THydrogen-bonded Turntrans-83.8-31.3-172.8-64.2177.3000112.3I414 T418 R419I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.35Å; I416-T418 PolarHBondContact O-N 3.17Å; I416-R419 PolarHBondContact O-N 3.01Å
417Q67.8Low68.4Low154 Ų154127.1 Ų127.172%0.7265%0.652SS**G310 helixtrans-67.1-33.7-171.1-68.7-173.7-19.600113.7R419Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 3.33Å
418T69.5Low69.4Low107 Ų107125.9 Ų125.966%0.65665%0.649SS**G310 helixtrans-62.7-35.1-177.1-36.20000113I416 L420 H421I416-T418 PolarHBondContact O-N 3.17Å; T418-L420 VanDerWaalsContact C-N 3.31Å; T418-L420 PolarHBondContact O-N 2.82Å; T418-H421 PolarHBondContact O-N 3.44Å
419R76Confident70.4Confident200 Ų200127.9 Ų127.976%0.75565%0.649SS**G310 helixtrans-79.3-10-168.4-158171-177.5175.1-0.2114.2I416 Q417I416-R419 PolarHBondContact O-N 3.01Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 3.33Å
420L68.3Low71.6Confident142 Ų142123.4 Ų123.474%0.74364%0.641SS**G310 helixtrans-80.9-15.7175.9-91.5163.9000113.6T418T418-L420 VanDerWaalsContact C-N 3.31Å; T418-L420 PolarHBondContact O-N 2.82Å
421H76.1Confident72.4Confident166 Ų166122.4 Ų122.477%0.76964%0.637SS**THydrogen-bonded Turntrans-81.7-33-175.2-168.447.7000113.4T418T418-H421 PolarHBondContact O-N 3.44Å
422E74.6Confident73.4Confident134 Ų134122.4 Ų122.463%0.62663%0.632SS**THydrogen-bonded Turntrans-72.1-44.1-171.7-63.3172.7131.900112.4G424 K425E422-G424 PolarHBondContact O-N 3.42Å; E422-G424 VanDerWaalsContact O-N 3.14Å; E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 VanDerWaalsContact O-N 3.11Å
423V71.2Confident74Confident101 Ų101123.1 Ų123.161%0.61263%0.628SS**Hα-helixtrans-60.1-26.7-179.1-178.30000112.7K425V423-K425 PolarHBondContact O-N 2.94Å
424G76Confident74.6Confident48 Ų48123 Ų12350%0.49562%0.621SS.*Hα-helixtrans-63.6-22.5178.400000114.1E422E422-G424 PolarHBondContact O-N 3.42Å; E422-G424 VanDerWaalsContact O-N 3.14Å
425K73.7Confident74.9Confident154 Ų154120.3 Ų120.367%0.6761%0.614SS**Hα-helixtrans-85.2-34.4-173.2-162-178.2177.9-1670113.6E422 V423 L427E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 VanDerWaalsContact O-N 3.11Å; V423-K425 PolarHBondContact O-N 2.94Å; K425-L427 PolarHBondContact O-N 2.87Å
426E73.8Confident75.3Confident142 Ų142120.8 Ų120.866%0.66461%0.609SS**Hα-helixtrans-68.7-23.9-176.7-58.6-178.7151.600112.9T430E426-T430 PolarHBondContact O-OG1 3.06Å
427L79.3Confident75.6Confident106 Ų106119.8 Ų119.856%0.55560%0.604SS**Hα-helixtrans-74.3-23.1-175.6-177.560000114.3K425 T430 K431K425-L427 PolarHBondContact O-N 2.87Å; L427-T430 PolarHBondContact O-OG1 2.87Å; L427-K431 VanDerWaalsContact O-CE 3.27Å; L427-K431 WeakPolarHBondContact O-CE 3.44Å
428D76.9Confident76.1Confident103 Ų103117.2 Ų117.255%0.55159%0.592SS**Hα-helixtrans-89.7-31.6-179.4-75.9-28.6000112.6T430 K431D428-T430 VanDerWaalsContact C-N 3.3Å; D428-T430 PolarHBondContact O-N 3.47Å; D428-K431 PolarHBondContact O-N 2.99Å; D428-K431 IonicContact OD1-NZ 2.6Å; D428-K431 PolarHBondContact OD1-NZ 3.18Å
429E79Confident76.6Confident127 Ų127118.5 Ų118.559%0.59359%0.591SS**Hα-helixtrans-63.7-35.8174.4-64.7-176.3178.200111.8K431 L432E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; E429-L432 PolarHBondContact O-N 2.77Å
430T75.3Confident76.8Confident89 Ų89117.3 Ų117.355%0.54659%0.586SS.*Hα-helixtrans-66.5-27.617815.90000113.8E426 L427 D428E426-T430 PolarHBondContact O-OG1 3.06Å; L427-T430 PolarHBondContact O-OG1 2.87Å; D428-T430 VanDerWaalsContact C-N 3.3Å; D428-T430 PolarHBondContact O-N 3.47Å
431K79.1Confident77.1Confident112 Ų112116.3 Ų116.349%0.48758%0.581SS.*Hα-helixtrans-72.1-38.5179.5-65167.1-168.1160.80111.7L427 D428 E429 I433 K434L427-K431 VanDerWaalsContact O-CE 3.27Å; L427-K431 WeakPolarHBondContact O-CE 3.44Å; D428-K431 PolarHBondContact O-N 2.99Å; D428-K431 IonicContact OD1-NZ 2.6Å; D428-K431 PolarHBondContact OD1-NZ 3.18Å; E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; K431-I433 VanDerWaalsContact C-N 3.34Å; K431-I433 PolarHBondContact O-N 3.41Å; K431-K434 PolarHBondContact O-N 2.71Å
432L81.1Confident77.4Confident116 Ų116112.3 Ų112.361%0.60757%0.571SS**Hα-helixtrans-63.4-39.1-177.4-175.162.2000112.4E429 K434E429-L432 PolarHBondContact O-N 2.77Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 2.82Å
433I79.3Confident77.8Confident102 Ų102109.9 Ų109.952%0.52356%0.562SS.*Hα-helixtrans-64.7-34.6179-62172.8000111.5K431 Q436K431-I433 VanDerWaalsContact C-N 3.34Å; K431-I433 PolarHBondContact O-N 3.41Å; I433-Q436 PolarHBondContact O-N 2.77Å
434K80.2Confident78Confident121 Ų121110.4 Ų110.453%0.52656%0.561SS.*Hα-helixtrans-62.8-48.3-178.1-175.4175.7178-75.50112.1K431 L432 Q436 L437 E438K431-K434 PolarHBondContact O-N 2.71Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 2.82Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 2.81Å; K434-L437 VanDerWaalsContact O-N 3.1Å; K434-E438 IonicContact NZ-OE1 3.01Å; K434-E438 PolarHBondContact NZ-OE1 3.4Å; K434-E438 IonicContact NZ-OE2 2.73Å; K434-E438 PolarHBondContact NZ-OE2 3.15Å; K434-E438 PolarHBondContact O-N 2.82Å
435S76.4Confident78.2Confident74 Ų74112.7 Ų112.752%0.51757%0.565SS.*Hα-helixtrans-63.1-33.4-178-60.80000112.9L437 E438 E439S435-L437 PolarHBondContact O-N 3.27Å; S435-E438 PolarHBondContact O-N 2.88Å; S435-E439 PolarHBondContact O-N 3.49Å
436Q78.6Confident78.6Confident119 Ų119111.3 Ų111.356%0.55656%0.561SS**Hα-helixtrans-67.8-21.2176.6-66.5-179.8-9.800113.7I433 K434I433-Q436 PolarHBondContact O-N 2.77Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.36Å
437L75.1Confident78.9Confident99 Ų99110.2 Ų110.252%0.51856%0.556SS.*Hα-helixtrans-85.5-33.8175-65.9173.2000111.9K434 S435 R440 L441K434-L437 PolarHBondContact O-N 2.81Å; K434-L437 VanDerWaalsContact O-N 3.1Å; S435-L437 PolarHBondContact O-N 3.27Å; L437-R440 PolarHBondContact O-N 3.31Å; L437-L441 PolarHBondContact O-N 3.42Å
438E78.8Confident78.7Confident100 Ų100110.8 Ų110.847%0.46756%0.559SS.*Hα-helixtrans-68.1-42.6179.4-67.8174.6148.700111.5K434 S435 R440 L441K434-E438 IonicContact NZ-OE1 3.01Å; K434-E438 PolarHBondContact NZ-OE1 3.4Å; K434-E438 IonicContact NZ-OE2 2.73Å; K434-E438 PolarHBondContact NZ-OE2 3.15Å; K434-E438 PolarHBondContact O-N 2.82Å; S435-E438 PolarHBondContact O-N 2.88Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.44Å; E438-L441 PolarHBondContact O-N 3.39Å
439E79.6Confident78.9Confident133 Ų133112.9 Ų112.962%0.62157%0.566SS**Hα-helixtrans-58.8-40.8173-176.1174.9-163.300112.2S435 L441 S442 I443S435-E439 PolarHBondContact O-N 3.49Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.9Å; E439-S442 WeakPolarHBondContact O-CB 3.46Å; E439-S442 PolarHBondContact O-N 2.89Å; E439-S442 VanDerWaalsContact O-N 3.17Å; E439-I443 PolarHBondContact O-N 3.32Å
440R81.7Confident79.1Confident176 Ų176111.2 Ų111.266%0.66456%0.56SS**Hα-helixtrans-66.5-31.1-176.5-137.2170.9-175.1169.31113.3L437 E438 L444L437-R440 PolarHBondContact O-N 3.31Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.44Å; R440-L444 WeakPolarHBondContact O-CD1 3.35Å; R440-L444 PolarHBondContact O-N 3.26Å
441L74.1Confident79.1Confident120 Ų120109.3 Ų109.363%0.62855%0.553SS**Hα-helixtrans-71.7-33.8175-72.6168.7000112.2L437 E438 E439 T445L437-L441 PolarHBondContact O-N 3.42Å; E438-L441 PolarHBondContact O-N 3.39Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.9Å; L441-T445 PolarHBondContact O-N 3.11Å; L441-T445 PolarHBondContact O-OG1 3.33Å
442S80.8Confident79.1Confident82 Ų82109.6 Ų109.657%0.57356%0.556SS**Hα-helixtrans-61.6-46176.5-164.10000111.3E439 L444 T445 E446E439-S442 WeakPolarHBondContact O-CB 3.46Å; E439-S442 PolarHBondContact O-N 2.89Å; E439-S442 VanDerWaalsContact O-N 3.17Å; S442-L444 PolarHBondContact O-N 3.15Å; S442-T445 WeakPolarHBondContact O-CB 3.37Å; S442-T445 PolarHBondContact O-N 3.04Å; S442-E446 PolarHBondContact O-N 3.04Å
443I83.2Confident79.1Confident83 Ų83110.6 Ų110.643%0.42656%0.556SS.*Hα-helixtrans-65.6-40.9-176.9-61.3171000111.9E439 T445 Q447E439-I443 PolarHBondContact O-N 3.32Å; I443-T445 VanDerWaalsContact C-N 3.28Å; I443-T445 PolarHBondContact O-N 2.92Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 3.21Å
444L75.6Confident79.2Confident112 Ų112111.2 Ų111.259%0.58656%0.556SS**Hα-helixtrans-64-33.9175.2-95.486.5000112.7R440 S442 L448R440-L444 WeakPolarHBondContact O-CD1 3.35Å; R440-L444 PolarHBondContact O-N 3.26Å; S442-L444 PolarHBondContact O-N 3.15Å; L444-L448 PolarHBondContact O-N 3.5Å
445T80.6Confident79.1Confident96 Ų96110.1 Ų110.159%0.58956%0.56SS**Hα-helixtrans-67.8-41.4-178.2-540000111.3L441 S442 I443 L448 Q449L441-T445 PolarHBondContact O-N 3.11Å; L441-T445 PolarHBondContact O-OG1 3.33Å; S442-T445 WeakPolarHBondContact O-CB 3.37Å; S442-T445 PolarHBondContact O-N 3.04Å; I443-T445 VanDerWaalsContact C-N 3.28Å; I443-T445 PolarHBondContact O-N 2.92Å; T445-L448 PolarHBondContact O-N 3.23Å; T445-Q449 PolarHBondContact O-N 3.35Å
446E81.9Confident79.4Confident125 Ų125112.8 Ų112.858%0.58456%0.564SS**Hα-helixtrans-65.2-41.9176.8-173.9172.8-160.900112.3S442 L448 Q449 I450S442-E446 PolarHBondContact O-N 3.04Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 2.95Å; E446-Q449 PolarHBondContact O-N 2.85Å; E446-I450 HydrophobicContact CG-CD1 4.29Å; E446-I450 WeakPolarHBondContact O-CG1 3.42Å; E446-I450 PolarHBondContact O-N 3.11Å; E446-I450 VanDerWaalsContact O-N 3.14Å
447Q80.8Confident79.5Confident120 Ų120113.3 Ų113.356%0.56157%0.566SS**Hα-helixtrans-61.2-38.1177.7-71.5179.11.500113I443 I450 A451I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 3.21Å; Q447-I450 PolarHBondContact O-N 2.86Å; Q447-A451 PolarHBondContact O-N 2.93Å; Q447-A451 VanDerWaalsContact O-N 3.08Å
448L75.7Confident79.6Confident117 Ų117114.8 Ų114.861%0.61357%0.569SS**Hα-helixtrans-65.7-41.1178.6-158160.1000111.1L444 T445 E446 I450 A451 Q452L444-L448 PolarHBondContact O-N 3.5Å; T445-L448 PolarHBondContact O-N 3.23Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 2.95Å; L448-I450 PolarHBondContact O-N 2.93Å; L448-A451 PolarHBondContact O-N 3.18Å; L448-Q452 PolarHBondContact O-N 2.84Å
449Q79.7Confident79.7Confident148 Ų148114.8 Ų114.869%0.69257%0.569SS**Hα-helixtrans-67-34.7178.4-157.7172.730.600112.7T445 E446 K453T445-Q449 PolarHBondContact O-N 3.35Å; E446-Q449 PolarHBondContact O-N 2.85Å; Q449-K453 PolarHBondContact O-N 3.31Å
450I82.9Confident79.7Confident91 Ų91110.4 Ų110.447%0.46756%0.555SS.*Hα-helixtrans-66.6-45.5173.1-66.9167000111E446 Q447 L448 Q452 K453 Q454E446-I450 HydrophobicContact CG-CD1 4.29Å; E446-I450 WeakPolarHBondContact O-CG1 3.42Å; E446-I450 PolarHBondContact O-N 3.11Å; E446-I450 VanDerWaalsContact O-N 3.14Å; Q447-I450 PolarHBondContact O-N 2.86Å; L448-I450 PolarHBondContact O-N 2.93Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 3.47Å; I450-K453 PolarHBondContact O-N 3.05Å; I450-Q454 PolarHBondContact O-N 2.62Å
451A75.3Confident79.7Confident50 Ų50107 Ų10741%0.41355%0.547SS..Hα-helixtrans-61.3-41.8179.500000112.2Q447 L448 K453 Q454 V455Q447-A451 PolarHBondContact O-N 2.93Å; Q447-A451 VanDerWaalsContact O-N 3.08Å; L448-A451 PolarHBondContact O-N 3.18Å; A451-K453 VanDerWaalsContact C-N 3.34Å; A451-K453 PolarHBondContact O-N 2.97Å; A451-Q454 PolarHBondContact O-N 2.92Å; A451-V455 PolarHBondContact O-N 3.38Å
452Q79.1Confident80Confident117 Ų117105.4 Ų105.455%0.54754%0.538SS..Hα-helixtrans-61.9-40.3179.2-168.6164.5-4.700112.2L448 I450 Q454 V455 E456L448-Q452 PolarHBondContact O-N 2.84Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 3.47Å; Q452-Q454 VanDerWaalsContact C-N 3.35Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q452-V455 PolarHBondContact O-N 3.44Å; Q452-E456 PolarHBondContact O-N 3.05Å
453K81Confident79.9Confident137 Ų137106 Ų10660%0.59654%0.535SS*.Hα-helixtrans-65.6-33.9176.3-166.7176.3-177.5-1790113.3Q449 I450 A451 V455 E456 E457Q449-K453 PolarHBondContact O-N 3.31Å; I450-K453 PolarHBondContact O-N 3.05Å; A451-K453 VanDerWaalsContact C-N 3.34Å; A451-K453 PolarHBondContact O-N 2.97Å; K453-V455 VanDerWaalsContact C-N 3.33Å; K453-E456 PolarHBondContact O-N 3.07Å; K453-E457 PolarHBondContact O-N 3.06Å
454Q81.5Confident79.9Confident115 Ų115110.4 Ų110.454%0.53755%0.546SS..Hα-helixtrans-67.8-32.1176.1-69.1179.50.900112.5I450 A451 Q452 K458I450-Q454 PolarHBondContact O-N 2.62Å; A451-Q454 PolarHBondContact O-N 2.92Å; Q452-Q454 VanDerWaalsContact C-N 3.35Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q454-K458 WeakPolarHBondContact O-CB 3.39Å; Q454-K458 VanDerWaalsContact O-CG 3.27Å; Q454-K458 WeakPolarHBondContact O-CG 3.47Å; Q454-K458 PolarHBondContact O-N 2.8Å
455V79.1Confident79.9Confident99 Ų99107.6 Ų107.660%0.654%0.536SS*.Hα-helixtrans-65.3-43.4175175.70000110.9A451 Q452 K453 K458 Q459A451-V455 PolarHBondContact O-N 3.38Å; Q452-V455 PolarHBondContact O-N 3.44Å; K453-V455 VanDerWaalsContact C-N 3.33Å; V455-K458 PolarHBondContact O-N 2.91Å; V455-Q459 PolarHBondContact O-N 3.03Å
456E82.4Confident79.9Confident129 Ų129106.8 Ų106.860%0.60353%0.528SS*.Hα-helixtrans-62.5-44.4177.8-65.9177.4171.300112.2Q452 K453 K458 Q459 A460Q452-E456 PolarHBondContact O-N 3.05Å; K453-E456 PolarHBondContact O-N 3.07Å; E456-K458 VanDerWaalsContact C-N 3.32Å; E456-K458 PolarHBondContact O-N 3.09Å; E456-Q459 PolarHBondContact O-N 2.83Å; E456-A460 PolarHBondContact O-N 3.29Å
457E81.3Confident79.8Confident130 Ų130104.4 Ų104.461%0.60753%0.526SS*.Hα-helixtrans-62.4-38174.3-73.9-168140.400112.5K453 A460 Q461K453-E457 PolarHBondContact O-N 3.06Å; E457-A460 PolarHBondContact O-N 3.33Å; E457-Q461 WeakPolarHBondContact O-CB 3.37Å; E457-Q461 PolarHBondContact O-N 3.01Å
458K77.5Confident79.9Confident131 Ų131103 Ų10357%0.5752%0.521SS*.Hα-helixtrans-69.4-38.6177.5-72-71.5159.4-163.40112.5Q454 V455 E456 Q461 L462Q454-K458 WeakPolarHBondContact O-CB 3.39Å; Q454-K458 VanDerWaalsContact O-CG 3.27Å; Q454-K458 WeakPolarHBondContact O-CG 3.47Å; Q454-K458 PolarHBondContact O-N 2.8Å; V455-K458 PolarHBondContact O-N 2.91Å; E456-K458 VanDerWaalsContact C-N 3.32Å; E456-K458 PolarHBondContact O-N 3.09Å; K458-Q461 PolarHBondContact O-N 3.44Å; K458-L462 PolarHBondContact O-N 3.02Å
459Q80.7Confident80Confident100 Ų100101.2 Ų101.247%0.46752%0.515SS..Hα-helixtrans-64.3-40.7173.6-168.362.256.500111.5V455 E456 Q461 L462 N463V455-Q459 PolarHBondContact O-N 3.03Å; E456-Q459 PolarHBondContact O-N 2.83Å; Q459-Q461 VanDerWaalsContact C-N 3.31Å; Q459-Q461 PolarHBondContact O-N 3.31Å; Q459-L462 PolarHBondContact O-N 2.78Å; Q459-N463 PolarHBondContact NE2-OD1 3.25Å; Q459-N463 VanDerWaalsContact O-CG 3.24Å; Q459-N463 PolarHBondContact O-N 2.88Å; Q459-N463 VanDerWaalsContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 3.06Å; Q459-N463 VanDerWaalsContact O-OD1 3.11Å
460A78.9Confident79.9Confident41 Ų4199 Ų9934%0.33951%0.508SS..Hα-helixtrans-65.8-32.117400000113E456 E457 R464E456-A460 PolarHBondContact O-N 3.29Å; E457-A460 PolarHBondContact O-N 3.33Å; A460-R464 WeakPolarHBondContact O-CG 3.46Å; A460-R464 PolarHBondContact O-N 3.17Å
461Q81.9Confident80Confident103 Ų103103.1 Ų103.148%0.48152%0.517SS..Hα-helixtrans-72.3-37.6174.7-168.9170.625.600112.1E457 K458 Q459 S465E457-Q461 WeakPolarHBondContact O-CB 3.37Å; E457-Q461 PolarHBondContact O-N 3.01Å; K458-Q461 PolarHBondContact O-N 3.44Å; Q459-Q461 VanDerWaalsContact C-N 3.31Å; Q459-Q461 PolarHBondContact O-N 3.31Å; Q461-S465 PolarHBondContact O-N 3.01Å; Q461-S465 VanDerWaalsContact O-N 3.12Å; Q461-S465 PolarHBondContact O-OG 3.1Å
462L79.8Confident80Confident87 Ų87106.5 Ų106.546%0.45553%0.526SS..Hα-helixtrans-63.2-54.3175.6-177.261.2000111.2K458 Q459 R464 S465 D466K458-L462 PolarHBondContact O-N 3.02Å; Q459-L462 PolarHBondContact O-N 2.78Å; L462-R464 PolarHBondContact O-N 3Å; L462-R464 VanDerWaalsContact O-N 3.13Å; L462-S465 WeakPolarHBondContact O-CA 3.46Å; L462-S465 VanDerWaalsContact O-CB 3.3Å; L462-S465 WeakPolarHBondContact O-CB 3.35Å; L462-S465 PolarHBondContact O-N 3.37Å; L462-D466 PolarHBondContact O-N 2.83Å
463N79.9Confident80Confident95 Ų95104 Ų10451%0.50852%0.522SS..Hα-helixtrans-57.2-34.3-178.8-62.76.7000112.7Q459 S467Q459-N463 PolarHBondContact NE2-OD1 3.25Å; Q459-N463 VanDerWaalsContact O-CG 3.24Å; Q459-N463 PolarHBondContact O-N 2.88Å; Q459-N463 VanDerWaalsContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 3.06Å; Q459-N463 VanDerWaalsContact O-OD1 3.11Å; N463-S467 PolarHBondContact O-N 3.07Å
464R81.3Confident80Confident175 Ų175104.4 Ų104.466%0.6652%0.523SS*.Hα-helixtrans-69.1-41.3172.6-74.5174.5-179.5146.51.5112A460 L462 S467 I468A460-R464 WeakPolarHBondContact O-CG 3.46Å; A460-R464 PolarHBondContact O-N 3.17Å; L462-R464 PolarHBondContact O-N 3Å; L462-R464 VanDerWaalsContact O-N 3.13Å; R464-S467 PolarHBondContact O-N 3.47Å; R464-S467 PolarHBondContact O-OG 3.18Å; R464-I468 WeakPolarHBondContact O-CG1 3.26Å; R464-I468 PolarHBondContact O-N 3.31Å
465S76.3Confident79.8Confident54 Ų54103.2 Ų103.238%0.37852%0.518SS..Hα-helixtrans-62.4-44.6178.8-55.40000111.2Q461 L462 S467 I468 V469Q461-S465 PolarHBondContact O-N 3.01Å; Q461-S465 VanDerWaalsContact O-N 3.12Å; Q461-S465 PolarHBondContact O-OG 3.1Å; L462-S465 WeakPolarHBondContact O-CA 3.46Å; L462-S465 VanDerWaalsContact O-CB 3.3Å; L462-S465 WeakPolarHBondContact O-CB 3.35Å; L462-S465 PolarHBondContact O-N 3.37Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.35Å; S465-I468 PolarHBondContact O-N 3.11Å; S465-V469 WeakPolarHBondContact O-CG2 3.38Å; S465-V469 PolarHBondContact O-N 2.68Å
466D81.5Confident79.9Confident78 Ų78105.1 Ų105.142%0.41752%0.518SS..Hα-helixtrans-61.3-36.9176-65.9-36.6000112.4L462 I468 V469 N470L462-D466 PolarHBondContact O-N 2.83Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.18Å; D466-V469 PolarHBondContact O-N 2.84Å; D466-N470 WeakPolarHBondContact O-CB 3.29Å; D466-N470 PolarHBondContact O-N 2.8Å; D466-N470 PolarHBondContact O-ND2 3.29Å
467S79.3Confident79.8Confident76 Ų76105.9 Ų105.953%0.53152%0.52SS..Hα-helixtrans-64.6-34.2174.981.30000112.7N463 R464 S465 R471N463-S467 PolarHBondContact O-N 3.07Å; R464-S467 PolarHBondContact O-N 3.47Å; R464-S467 PolarHBondContact O-OG 3.18Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.35Å; S467-R471 PolarHBondContact O-N 3.14Å
468I82Confident79.8Confident91 Ų91107.5 Ų107.547%0.46752%0.52SS..Hα-helixtrans-75.4-44.1177.7-66.4166.8000110.3R464 S465 D466 N470 R471 M472R464-I468 WeakPolarHBondContact O-CG1 3.26Å; R464-I468 PolarHBondContact O-N 3.31Å; S465-I468 PolarHBondContact O-N 3.11Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.18Å; I468-N470 PolarHBondContact O-N 2.92Å; I468-R471 WeakPolarHBondContact O-CB 3.36Å; I468-R471 PolarHBondContact O-N 3.39Å; I468-R471 VanDerWaalsContact O-N 3.15Å; I468-M472 HydrophobicContact CG2-CG 4.43Å; I468-M472 HydrophobicContact CG2-SD 4.04Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 2.92Å
469V78.2Confident79.6Confident79 Ų79104.6 Ų104.648%0.47951%0.513SS..Hα-helixtrans-58.6-48.1175171.90000110.5S465 D466 R471 M472 S473S465-V469 WeakPolarHBondContact O-CG2 3.38Å; S465-V469 PolarHBondContact O-N 2.68Å; D466-V469 PolarHBondContact O-N 2.84Å; V469-R471 VanDerWaalsContact C-N 3.25Å; V469-R471 PolarHBondContact O-N 3.11Å; V469-M472 PolarHBondContact O-N 3.29Å; V469-M472 VanDerWaalsContact O-N 3.11Å; V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 3.16Å
470N77.6Confident79.7Confident102 Ų102104 Ų10455%0.54551%0.51SS..Hα-helixtrans-61.5-30.6176.8-83.3-75.2000113.5D466 I468 K474D466-N470 WeakPolarHBondContact O-CB 3.29Å; D466-N470 PolarHBondContact O-N 2.8Å; D466-N470 PolarHBondContact O-ND2 3.29Å; I468-N470 PolarHBondContact O-N 2.92Å; N470-K474 WeakPolarHBondContact O-CG 3.49Å
471R85.9Confident79.8Confident176 Ų176106.5 Ų106.566%0.66452%0.517SS*.Hα-helixtrans-72.5-46.4171.7-165177.375.3125.91.8111.1S467 I468 V469 S473 K474 E475S467-R471 PolarHBondContact O-N 3.14Å; I468-R471 WeakPolarHBondContact O-CB 3.36Å; I468-R471 PolarHBondContact O-N 3.39Å; I468-R471 VanDerWaalsContact O-N 3.15Å; V469-R471 VanDerWaalsContact C-N 3.25Å; V469-R471 PolarHBondContact O-N 3.11Å; R471-S473 PolarHBondContact O-N 2.88Å; R471-K474 PolarHBondContact O-N 3Å; R471-E475 PolarHBondContact O-N 2.95Å; R471-E475 VanDerWaalsContact O-N 3.07Å
472M75.7Confident79.7Confident122 Ų122105.4 Ų105.460%0.60152%0.518SS*.Hα-helixtrans-62-41179-74.3179.763.600112.4I468 V469 K474 E475 F476I468-M472 HydrophobicContact CG2-CG 4.43Å; I468-M472 HydrophobicContact CG2-SD 4.04Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 2.92Å; V469-M472 PolarHBondContact O-N 3.29Å; V469-M472 VanDerWaalsContact O-N 3.11Å; M472-K474 VanDerWaalsContact C-N 3.27Å; M472-K474 PolarHBondContact O-N 3.42Å; M472-E475 PolarHBondContact O-N 2.98Å; M472-F476 VanDerWaalsContact O-CB 3.29Å; M472-F476 WeakPolarHBondContact O-CB 3.38Å; M472-F476 PolarHBondContact O-N 2.78Å
473S77.7Confident79.6Confident64 Ų64106.4 Ų106.445%0.44852%0.522SS..Hα-helixtrans-65.5-27.8176.1-60.60000113.4V469 R471 K477V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 3.16Å; R471-S473 PolarHBondContact O-N 2.88Å; S473-K477 WeakPolarHBondContact O-CG 3.28Å; S473-K477 PolarHBondContact O-N 2.93Å
474K81.7Confident79.7Confident146 Ų146106.4 Ų106.464%0.63552%0.519SS*.Hα-helixtrans-75.3-41.6173.4-73.5178.2179.9-178.30111.9N470 R471 M472 R478N470-K474 WeakPolarHBondContact O-CG 3.49Å; R471-K474 PolarHBondContact O-N 3Å; M472-K474 VanDerWaalsContact C-N 3.27Å; M472-K474 PolarHBondContact O-N 3.42Å; K474-R478 WeakPolarHBondContact O-CG 3.28Å; K474-R478 PolarHBondContact O-N 2.87Å
475E77.7Confident79.8Confident89 Ų89103.6 Ų103.642%0.41651%0.514SS..Hα-helixtrans-66.4-42.1173.7-65.6-55.3106.600111.9R471 M472 K477 R478 T479R471-E475 PolarHBondContact O-N 2.95Å; R471-E475 VanDerWaalsContact O-N 3.07Å; M472-E475 PolarHBondContact O-N 2.98Å; E475-K477 VanDerWaalsContact C-N 3.34Å; E475-K477 PolarHBondContact O-N 3.08Å; E475-R478 WeakPolarHBondContact O-CA 3.26Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.05Å; E475-R478 IonicContact OE1-CZ 2.67Å; E475-R478 IonicContact OE1-NE 2.76Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.36Å; E475-T479 PolarHBondContact O-N 3.26Å; E475-T479 PolarHBondContact O-OG1 3.21Å
476F79.7Confident79.8Confident139 Ų139104 Ų10461%0.6152%0.517SS*.Hα-helixtrans-59.3-43.7178.8-168.1-88000111.9M472 R478 T479 Q480M472-F476 VanDerWaalsContact O-CB 3.29Å; M472-F476 WeakPolarHBondContact O-CB 3.38Å; M472-F476 PolarHBondContact O-N 2.78Å; F476-R478 VanDerWaalsContact C-N 3.35Å; F476-R478 PolarHBondContact O-N 3.33Å; F476-T479 WeakPolarHBondContact CA-OG1 3.37Å; F476-T479 PolarHBondContact O-N 3.07Å; F476-T479 PolarHBondContact O-OG1 2.8Å; F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 3.44Å
477K80.9Confident79.7Confident146 Ų146102.4 Ų102.464%0.63552%0.515SS*.Hα-helixtrans-63.1-37.2173.9-76.1-172175.9-166.20112.8S473 E475 I481S473-K477 WeakPolarHBondContact O-CG 3.28Å; S473-K477 PolarHBondContact O-N 2.93Å; E475-K477 VanDerWaalsContact C-N 3.34Å; E475-K477 PolarHBondContact O-N 3.08Å; K477-I481 WeakPolarHBondContact O-CG1 3.49Å; K477-I481 PolarHBondContact O-N 3.07Å
478R80.7Confident79.7Confident163 Ų163105.7 Ų105.762%0.61552%0.521SS*.Hα-helixtrans-63.8-48.8174.1-72166.6166.7174.9-9.3111.3K474 E475 F476 Q480 I481 T482K474-R478 WeakPolarHBondContact O-CG 3.28Å; K474-R478 PolarHBondContact O-N 2.87Å; E475-R478 WeakPolarHBondContact O-CA 3.26Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.05Å; E475-R478 IonicContact OE1-CZ 2.67Å; E475-R478 IonicContact OE1-NE 2.76Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.36Å; F476-R478 VanDerWaalsContact C-N 3.35Å; F476-R478 PolarHBondContact O-N 3.33Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.27Å; R478-I481 PolarHBondContact O-N 2.82Å; R478-T482 PolarHBondContact O-N 2.83Å; R478-T482 VanDerWaalsContact O-N 3.16Å; R478-T482 PolarHBondContact O-OG1 3.49Å
479T73.8Confident79.7Confident70 Ų70108.4 Ų108.443%0.42953%0.53SS..Hα-helixtrans-65.8-33.1178.549.90000112.9E475 F476 T482 I483E475-T479 PolarHBondContact O-N 3.26Å; E475-T479 PolarHBondContact O-OG1 3.21Å; F476-T479 WeakPolarHBondContact CA-OG1 3.37Å; F476-T479 PolarHBondContact O-N 3.07Å; F476-T479 PolarHBondContact O-OG1 2.8Å; T479-T482 WeakPolarHBondContact CA-OG1 3.28Å; T479-T482 PolarHBondContact O-N 3.33Å; T479-I483 WeakPolarHBondContact O-CB 3.46Å; T479-I483 WeakPolarHBondContact O-CD1 3.48Å; T479-I483 VanDerWaalsContact O-CG1 3.22Å; T479-I483 WeakPolarHBondContact O-CG1 3.18Å; T479-I483 PolarHBondContact O-N 2.8Å
480Q82.5Confident79.8Confident87 Ų87109 Ų10941%0.40753%0.534SS..Hα-helixtrans-62.2-48.7175.6178.5172.6-6.600111.1F476 R478 T482 I483 E484F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 3.44Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.27Å; Q480-T482 VanDerWaalsContact C-N 3.33Å; Q480-T482 PolarHBondContact O-N 2.77Å; Q480-I483 PolarHBondContact O-N 3.05Å; Q480-I483 VanDerWaalsContact O-N 3.15Å; Q480-E484 HydrophobicContact CG-CG 4.5Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.37Å; Q480-E484 PolarHBondContact NE2-OE1 3.5Å; Q480-E484 WeakPolarHBondContact O-CG 3.44Å; Q480-E484 PolarHBondContact O-N 3.23Å
481I81Confident79.9Confident94 Ų94109.6 Ų109.648%0.48254%0.537SS..Hα-helixtrans-59.2-44.4176.6-65.8164.8000110.7K477 R478 I483 E484 E485K477-I481 WeakPolarHBondContact O-CG1 3.49Å; K477-I481 PolarHBondContact O-N 3.07Å; R478-I481 PolarHBondContact O-N 2.82Å; I481-I483 VanDerWaalsContact C-N 3.31Å; I481-I483 PolarHBondContact O-N 3.22Å; I481-E484 PolarHBondContact O-N 2.89Å; I481-E485 HydrophobicContact CG2-CG 4.42Å; I481-E485 WeakPolarHBondContact O-CB 3.48Å; I481-E485 WeakPolarHBondContact O-CG 3.17Å; I481-E485 PolarHBondContact O-N 3.46Å
482T79.7Confident79.5Confident80 Ų80104.3 Ų104.349%0.49153%0.527SS..Hα-helixtrans-66.3-32.2178.51.20000112.9R478 T479 Q480 S486R478-T482 PolarHBondContact O-N 2.83Å; R478-T482 VanDerWaalsContact O-N 3.16Å; R478-T482 PolarHBondContact O-OG1 3.49Å; T479-T482 WeakPolarHBondContact CA-OG1 3.28Å; T479-T482 PolarHBondContact O-N 3.33Å; Q480-T482 VanDerWaalsContact C-N 3.33Å; Q480-T482 PolarHBondContact O-N 2.77Å; T482-S486 VanDerWaalsContact O-CB 3.28Å; T482-S486 WeakPolarHBondContact O-CB 3.5Å; T482-S486 PolarHBondContact O-N 3.39Å; T482-S486 PolarHBondContact O-OG 2.89Å
483I78.2Confident79.6Confident108 Ų108103.1 Ų103.155%0.55452%0.522SS*.Hα-helixtrans-68.8-45.1174.1-72.6165.1000110.3T479 Q480 I481 S486 A487T479-I483 WeakPolarHBondContact O-CB 3.46Å; T479-I483 WeakPolarHBondContact O-CD1 3.48Å; T479-I483 VanDerWaalsContact O-CG1 3.22Å; T479-I483 WeakPolarHBondContact O-CG1 3.18Å; T479-I483 PolarHBondContact O-N 2.8Å; Q480-I483 PolarHBondContact O-N 3.05Å; Q480-I483 VanDerWaalsContact O-N 3.15Å; I481-I483 VanDerWaalsContact C-N 3.31Å; I481-I483 PolarHBondContact O-N 3.22Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-N 2.85Å; I483-S486 PolarHBondContact O-OG 2.93Å; I483-A487 WeakPolarHBondContact O-CB 3.49Å; I483-A487 PolarHBondContact O-N 3.04Å
484E83Confident79.8Confident95 Ų95107 Ų10744%0.44453%0.531SS..Hα-helixtrans-63-44.7178.8-72.2164.8-17700111.7Q480 I481 S486 A487 Q488Q480-E484 HydrophobicContact CG-CG 4.5Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.37Å; Q480-E484 PolarHBondContact NE2-OE1 3.5Å; Q480-E484 WeakPolarHBondContact O-CG 3.44Å; Q480-E484 PolarHBondContact O-N 3.23Å; I481-E484 PolarHBondContact O-N 2.89Å; E484-S486 PolarHBondContact O-N 2.78Å; E484-A487 PolarHBondContact O-N 3.45Å; E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 3.48Å; E484-Q488 VanDerWaalsContact O-N 3.08Å
485E81.7Confident79.6Confident116 Ų116101.8 Ų101.854%0.54252%0.519SS..Hα-helixtrans-59-44.2170.7-72174.2169.400112.1I481 A487 Q488 K489I481-E485 HydrophobicContact CG2-CG 4.42Å; I481-E485 WeakPolarHBondContact O-CB 3.48Å; I481-E485 WeakPolarHBondContact O-CG 3.17Å; I481-E485 PolarHBondContact O-N 3.46Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 2.98Å; E485-Q488 PolarHBondContact O-N 3.33Å; E485-K489 PolarHBondContact O-N 3.24Å
486S78.1Confident79.7Confident63 Ų63103.2 Ų103.244%0.44153%0.526SS..Hα-helixtrans-65.3-36.9178.679.20000112.4T482 I483 E484 K489 V490T482-S486 VanDerWaalsContact O-CB 3.28Å; T482-S486 WeakPolarHBondContact O-CB 3.5Å; T482-S486 PolarHBondContact O-N 3.39Å; T482-S486 PolarHBondContact O-OG 2.89Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-N 2.85Å; I483-S486 PolarHBondContact O-OG 2.93Å; E484-S486 PolarHBondContact O-N 2.78Å; S486-K489 PolarHBondContact O-N 2.74Å; S486-V490 WeakPolarHBondContact O-CG2 3.19Å; S486-V490 PolarHBondContact O-N 2.98Å
487A78.8Confident79.6Confident45 Ų45102 Ų10237%0.37252%0.524SS..Hα-helixtrans-68-41.317800000111.7I483 E484 E485 K489 V490 N491I483-A487 WeakPolarHBondContact O-CB 3.49Å; I483-A487 PolarHBondContact O-N 3.04Å; E484-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 2.98Å; A487-K489 VanDerWaalsContact C-N 3.29Å; A487-K489 PolarHBondContact O-N 3.35Å; A487-V490 PolarHBondContact O-N 2.83Å; A487-N491 WeakPolarHBondContact O-CB 3.31Å; A487-N491 PolarHBondContact O-N 2.9Å; A487-N491 PolarHBondContact O-ND2 3.42Å
488Q79.5Confident79.7Confident144 Ų144101 Ų10167%0.67352%0.52SS*.Hα-helixtrans-61.5-38.3171.5-68.6-177.59.800111.8E484 E485 N491 S492E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 3.48Å; E484-Q488 VanDerWaalsContact O-N 3.08Å; E485-Q488 PolarHBondContact O-N 3.33Å; Q488-N491 PolarHBondContact O-N 3.14Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.05Å
489K82.5Confident79.6Confident148 Ų14896.5 Ų96.564%0.64351%0.511SS*.Hα-helixtrans-71.2-36.7177.7-160.7148.8-172.1168.40113.2E485 S486 A487 S492 L493E485-K489 PolarHBondContact O-N 3.24Å; S486-K489 PolarHBondContact O-N 2.74Å; A487-K489 VanDerWaalsContact C-N 3.29Å; A487-K489 PolarHBondContact O-N 3.35Å; K489-S492 WeakPolarHBondContact CA-OG 3.31Å; K489-S492 PolarHBondContact O-OG 3.24Å; K489-S492 VanDerWaalsContact O-OG 3.08Å; K489-L493 HydrophobicContact CG-CD1 4.44Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 VanDerWaalsContact O-CG 3.28Å; K489-L493 WeakPolarHBondContact O-CG 3.46Å; K489-L493 PolarHBondContact O-N 3.47Å; K489-L493 VanDerWaalsContact O-N 3.1Å
490V80.4Confident79.6Confident93 Ų9397 Ų9756%0.56452%0.515SS*.Hα-helixtrans-63.9-45171.1168.90000110.9S486 A487 S492 L493 F494S486-V490 WeakPolarHBondContact O-CG2 3.19Å; S486-V490 PolarHBondContact O-N 2.98Å; A487-V490 PolarHBondContact O-N 2.83Å; V490-S492 PolarHBondContact O-N 2.91Å; V490-L493 PolarHBondContact O-N 3.38Å; V490-F494 WeakPolarHBondContact O-CB 3.36Å; V490-F494 PolarHBondContact O-N 3.2Å
491N78.8Confident79.5Confident114 Ų11497.6 Ų97.661%0.6152%0.517SS*.Hα-helixtrans-63.7-41.3179.8-75.3-21.9000112.9A487 Q488 F494 G495A487-N491 WeakPolarHBondContact O-CB 3.31Å; A487-N491 PolarHBondContact O-N 2.9Å; A487-N491 PolarHBondContact O-ND2 3.42Å; Q488-N491 PolarHBondContact O-N 3.14Å; N491-F494 PolarHBondContact O-N 2.96Å; N491-G495 PolarHBondContact O-N 3.33Å
492S78.5Confident79.5Confident64 Ų6498 Ų9845%0.44852%0.517SS..Hα-helixtrans-67.5-39.8176.147.50000112.6Q488 K489 V490 F494 G495 Q496Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.05Å; K489-S492 WeakPolarHBondContact CA-OG 3.31Å; K489-S492 PolarHBondContact O-OG 3.24Å; K489-S492 VanDerWaalsContact O-OG 3.08Å; V490-S492 PolarHBondContact O-N 2.91Å; S492-F494 VanDerWaalsContact C-N 3.34Å; S492-F494 PolarHBondContact O-N 3.39Å; S492-G495 PolarHBondContact O-N 2.96Å; S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 2.92Å
493L77.2Confident79.6Confident97 Ų97101.9 Ų101.951%0.50853%0.527SS..Hα-helixtrans-64.7-35.9172.1-71.8170.6000112.4K489 V490 Q496 L497K489-L493 HydrophobicContact CG-CD1 4.44Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 VanDerWaalsContact O-CG 3.28Å; K489-L493 WeakPolarHBondContact O-CG 3.46Å; K489-L493 PolarHBondContact O-N 3.47Å; K489-L493 VanDerWaalsContact O-N 3.1Å; V490-L493 PolarHBondContact O-N 3.38Å; L493-Q496 PolarHBondContact O-N 3.1Å; L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 PolarHBondContact O-N 3.4Å
494F81.6Confident79.7Confident147 Ų147101.1 Ų101.165%0.64552%0.523SS*.Hα-helixtrans-66.9-37.1175.8-159.2-91.5000112.1V490 N491 S492 L497 K498V490-F494 WeakPolarHBondContact O-CB 3.36Å; V490-F494 PolarHBondContact O-N 3.2Å; N491-F494 PolarHBondContact O-N 2.96Å; S492-F494 VanDerWaalsContact C-N 3.34Å; S492-F494 PolarHBondContact O-N 3.39Å; F494-L497 PolarHBondContact O-N 2.86Å; F494-K498 PolarHBondContact O-N 2.93Å
495G77Confident79.6Confident36 Ų36100.4 Ų100.437%0.37152%0.523SS..Hα-helixtrans-64.8-38.6171.100000113.4N491 S492 K498 T499N491-G495 PolarHBondContact O-N 3.33Å; S492-G495 PolarHBondContact O-N 2.96Å; G495-K498 PolarHBondContact O-N 2.83Å; G495-T499 PolarHBondContact O-N 3.21Å; G495-T499 VanDerWaalsContact O-N 3.07Å; G495-T499 PolarHBondContact O-OG1 3.33Å
496Q80.2Confident79.6Confident119 Ų11996.1 Ų96.156%0.55651%0.51SS*.Hα-helixtrans-67.6-39.5173.4-70.2176.32.900112S492 L493 T499 T500S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 2.92Å; L493-Q496 PolarHBondContact O-N 3.1Å; Q496-T499 PolarHBondContact O-OG1 2.87Å; Q496-T500 WeakPolarHBondContact O-CB 3.4Å; Q496-T500 WeakPolarHBondContact O-CG2 3.4Å; Q496-T500 PolarHBondContact O-N 2.94Å; Q496-T500 PolarHBondContact O-OG1 3.24Å
497L78.5Confident79.5Confident112 Ų11295.5 Ų95.559%0.58651%0.509SS*.Hα-helixtrans-62.8-43.7174.8-170.171.9000111.6L493 F494 T500 Q501L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 PolarHBondContact O-N 3.4Å; F494-L497 PolarHBondContact O-N 2.86Å; L497-T500 WeakPolarHBondContact CA-OG1 3.43Å; L497-T500 PolarHBondContact O-N 2.9Å; L497-T500 PolarHBondContact O-OG1 2.97Å; L497-Q501 WeakPolarHBondContact O-CB 3.23Å; L497-Q501 PolarHBondContact O-N 3.24Å
498K82.6Confident79.6Confident125 Ų12597.7 Ų97.754%0.54351%0.514SS..Hα-helixtrans-61.2-51.1176.5-178.8177.6168-178.80111.8F494 G495 T500 Q501 E502F494-K498 PolarHBondContact O-N 2.93Å; G495-K498 PolarHBondContact O-N 2.83Å; K498-T500 VanDerWaalsContact C-N 3.28Å; K498-T500 PolarHBondContact O-N 2.75Å; K498-Q501 PolarHBondContact O-N 2.66Å; K498-E502 WeakPolarHBondContact CE-OE1 3.27Å; K498-E502 IonicContact NZ-OE1 2.72Å; K498-E502 WeakPolarHBondContact O-CG 3.38Å; K498-E502 PolarHBondContact O-N 2.9Å
499T78.1Confident79.6Confident69 Ų6997.7 Ų97.742%0.42351%0.514SS..Hα-helixtrans-69.3-22.4-178.151.50000113.7G495 Q496 K503G495-T499 PolarHBondContact O-N 3.21Å; G495-T499 VanDerWaalsContact O-N 3.07Å; G495-T499 PolarHBondContact O-OG1 3.33Å; Q496-T499 PolarHBondContact O-OG1 2.87Å; T499-K503 VanDerWaalsContact O-CG 3.29Å; T499-K503 WeakPolarHBondContact O-CG 3.22Å; T499-K503 PolarHBondContact O-N 2.86Å
500T73.8Confident79.5Confident82 Ų8297 Ų9750%0.50351%0.513SS..Hα-helixtrans-79.7-36.5170.146.10000112.3Q496 L497 K498 K503 L504Q496-T500 WeakPolarHBondContact O-CB 3.4Å; Q496-T500 WeakPolarHBondContact O-CG2 3.4Å; Q496-T500 PolarHBondContact O-N 2.94Å; Q496-T500 PolarHBondContact O-OG1 3.24Å; L497-T500 WeakPolarHBondContact CA-OG1 3.43Å; L497-T500 PolarHBondContact O-N 2.9Å; L497-T500 PolarHBondContact O-OG1 2.97Å; K498-T500 VanDerWaalsContact C-N 3.28Å; K498-T500 PolarHBondContact O-N 2.75Å; T500-K503 PolarHBondContact O-N 2.87Å; T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 PolarHBondContact O-N 3.31Å
501Q81.5Confident79.4Confident98 Ų9897.9 Ų97.946%0.45851%0.514SS..Hα-helixtrans-64-41.3172.2-173.464.16000112.2L497 K498 K503 L504 N505L497-Q501 WeakPolarHBondContact O-CB 3.23Å; L497-Q501 PolarHBondContact O-N 3.24Å; K498-Q501 PolarHBondContact O-N 2.66Å; Q501-K503 VanDerWaalsContact C-N 3.34Å; Q501-K503 PolarHBondContact O-N 3.14Å; Q501-L504 PolarHBondContact O-N 3.26Å; Q501-N505 PolarHBondContact NE2-OD1 3.28Å; Q501-N505 VanDerWaalsContact O-CG 3.26Å; Q501-N505 PolarHBondContact O-N 2.98Å; Q501-N505 PolarHBondContact O-OD1 3.26Å
502E80Confident79.4Confident102 Ų10296.5 Ų96.548%0.47751%0.513SS..Hα-helixtrans-62.5-40.8176.4-72.4167.3158.400111.5K498 N505 G506K498-E502 WeakPolarHBondContact CE-OE1 3.27Å; K498-E502 IonicContact NZ-OE1 2.72Å; K498-E502 WeakPolarHBondContact O-CG 3.38Å; K498-E502 PolarHBondContact O-N 2.9Å; E502-N505 PolarHBondContact O-N 3.46Å; E502-G506 PolarHBondContact O-N 3.37Å
503K80.7Confident79.5Confident162 Ų16299.4 Ų99.470%0.70452%0.52SS*.Hα-helixtrans-66.9-38.6173.6-73.9174.1-179.5-1770113.2T499 T500 Q501 N505 A507T499-K503 VanDerWaalsContact O-CG 3.29Å; T499-K503 WeakPolarHBondContact O-CG 3.22Å; T499-K503 PolarHBondContact O-N 2.86Å; T500-K503 PolarHBondContact O-N 2.87Å; Q501-K503 VanDerWaalsContact C-N 3.34Å; Q501-K503 PolarHBondContact O-N 3.14Å; K503-N505 VanDerWaalsContact C-N 3.34Å; K503-A507 WeakPolarHBondContact O-CB 3.28Å; K503-A507 PolarHBondContact O-N 2.86Å
504L81.9Confident79.6Confident92 Ų9299.2 Ų99.248%0.48252%0.523SS..Hα-helixtrans-64.4-39.1176.5-179.161.8000111.7T500 Q501 N508T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 PolarHBondContact O-N 3.31Å; Q501-L504 PolarHBondContact O-N 3.26Å; L504-N508 PolarHBondContact O-N 2.79Å; L504-N508 PolarHBondContact O-ND2 2.72Å
505N81.1Confident79.4Confident80 Ų8096.4 Ų96.443%0.42851%0.512SS..Hα-helixtrans-64-51.2176.4-67.62.4000111.1Q501 E502 K503 A507 N508 E509Q501-N505 PolarHBondContact NE2-OD1 3.28Å; Q501-N505 VanDerWaalsContact O-CG 3.26Å; Q501-N505 PolarHBondContact O-N 2.98Å; Q501-N505 PolarHBondContact O-OD1 3.26Å; E502-N505 PolarHBondContact O-N 3.46Å; K503-N505 VanDerWaalsContact C-N 3.34Å; N505-A507 VanDerWaalsContact C-N 3.3Å; N505-A507 PolarHBondContact O-N 3.01Å; N505-N508 WeakPolarHBondContact O-CB 3.39Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.09Å; N505-E509 PolarHBondContact O-N 2.69Å; N505-E509 VanDerWaalsContact O-N 3.1Å
506G80.8Confident79.5Confident26 Ų2698.2 Ų98.227%0.26852%0.519SS..Hα-helixtrans-62.6-33.6179.100000113.9E502 E509 Q510E502-G506 PolarHBondContact O-N 3.37Å; G506-E509 PolarHBondContact O-N 2.91Å; G506-Q510 WeakPolarHBondContact O-CG 3.42Å; G506-Q510 PolarHBondContact O-N 3.31Å; G506-Q510 VanDerWaalsContact O-N 3.08Å
507A76.9Confident79.4Confident51 Ų5196.3 Ų96.342%0.42151%0.512SS..Hα-helixtrans-66.1-36.1173.600000112.8K503 N505 L511K503-A507 WeakPolarHBondContact O-CB 3.28Å; K503-A507 PolarHBondContact O-N 2.86Å; N505-A507 VanDerWaalsContact C-N 3.3Å; N505-A507 PolarHBondContact O-N 3.01Å; A507-L511 WeakPolarHBondContact O-CB 3.4Å; A507-L511 PolarHBondContact O-N 3.41Å
508N79.8Confident79.5Confident91 Ų9197 Ų9749%0.48751%0.507SS..Hα-helixtrans-70.7-35.6175.6-74.6-32.3000112.4L504 N505 L511 S512L504-N508 PolarHBondContact O-N 2.79Å; L504-N508 PolarHBondContact O-ND2 2.72Å; N505-N508 WeakPolarHBondContact O-CB 3.39Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.09Å; N508-L511 PolarHBondContact O-N 3.48Å; N508-S512 PolarHBondContact O-N 2.67Å; N508-S512 VanDerWaalsContact O-N 3.08Å
509E80.4Confident79.2Confident143 Ų14397.5 Ų97.567%0.66851%0.509SS*.Hα-helixtrans-64.3-47.5174.2-69.9176.3145.300110.9N505 G506 L511 S512 E513N505-E509 PolarHBondContact O-N 2.69Å; N505-E509 VanDerWaalsContact O-N 3.1Å; G506-E509 PolarHBondContact O-N 2.91Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; E509-S512 PolarHBondContact O-N 3.5Å; E509-E513 PolarHBondContact O-N 3.28Å
510Q78.7Confident79.2Confident134 Ų13497.1 Ų97.163%0.62651%0.509SS*.Hα-helixtrans-60.6-38.6174.7-71.9178.5-1000112.9G506 S512 E513 V514G506-Q510 WeakPolarHBondContact O-CG 3.42Å; G506-Q510 PolarHBondContact O-N 3.31Å; G506-Q510 VanDerWaalsContact O-N 3.08Å; Q510-S512 VanDerWaalsContact C-N 3.35Å; Q510-S512 PolarHBondContact O-N 2.97Å; Q510-E513 PolarHBondContact O-N 3.48Å; Q510-V514 WeakPolarHBondContact O-CG2 3.33Å; Q510-V514 PolarHBondContact O-N 3.29Å
511L79.3Confident79Confident112 Ų11298.5 Ų98.559%0.58651%0.513SS*.Hα-helixtrans-62.4-42.5175.5-16973.7000111.6A507 N508 E509 E513 V514 E515A507-L511 WeakPolarHBondContact O-CB 3.4Å; A507-L511 PolarHBondContact O-N 3.41Å; N508-L511 PolarHBondContact O-N 3.48Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; L511-E513 VanDerWaalsContact C-N 3.34Å; L511-E513 PolarHBondContact O-N 3.33Å; L511-V514 PolarHBondContact O-N 3.19Å; L511-E515 WeakPolarHBondContact O-CB 3.37Å; L511-E515 WeakPolarHBondContact O-CG 3.31Å; L511-E515 PolarHBondContact O-N 3.01Å
512S77.9Confident78.6Confident85 Ų8598.2 Ų98.259%0.59451%0.514SS*.Hα-helixtrans-66.6-33.8178.1-170.40000112.8N508 E509 Q510 S516N508-S512 PolarHBondContact O-N 2.67Å; N508-S512 VanDerWaalsContact O-N 3.08Å; E509-S512 PolarHBondContact O-N 3.5Å; Q510-S512 VanDerWaalsContact C-N 3.35Å; Q510-S512 PolarHBondContact O-N 2.97Å; S512-S516 PolarHBondContact O-N 3.46Å
513E81.5Confident78.2Confident124 Ų12499.2 Ų99.258%0.57952%0.517SS*.Hα-helixtrans-68.2-46174.9-172.8173.6-161.400111.3E509 Q510 L511 E515 S516 N517E509-E513 PolarHBondContact O-N 3.28Å; Q510-E513 PolarHBondContact O-N 3.48Å; L511-E513 VanDerWaalsContact C-N 3.34Å; L511-E513 PolarHBondContact O-N 3.33Å; E513-E515 PolarHBondContact O-N 2.95Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.95Å; E513-S516 VanDerWaalsContact O-N 3.15Å; E513-N517 PolarHBondContact O-N 3.02Å; E513-N517 PolarHBondContact O-ND2 3.4Å
514V78.5Confident77.8Confident94 Ų9497 Ų9757%0.5751%0.509SS*.Hα-helixtrans-63.5-39.4176.5172.50000112Q510 L511 S516 N517 R518Q510-V514 WeakPolarHBondContact O-CG2 3.33Å; Q510-V514 PolarHBondContact O-N 3.29Å; L511-V514 PolarHBondContact O-N 3.19Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 3.25Å; V514-N517 PolarHBondContact O-N 2.98Å; V514-R518 WeakPolarHBondContact O-CB 3.36Å; V514-R518 PolarHBondContact O-N 3.42Å
515E78.5Confident76.9Confident88 Ų8897.3 Ų97.341%0.41151%0.511SS..Hα-helixtrans-64.8-30.9174-80.7-121.4108.300113.5L511 E513 R518L511-E515 WeakPolarHBondContact O-CB 3.37Å; L511-E515 WeakPolarHBondContact O-CG 3.31Å; L511-E515 PolarHBondContact O-N 3.01Å; E513-E515 PolarHBondContact O-N 2.95Å; E515-R518 IonicContact OE1-NH2 2.71Å; E515-R518 PolarHBondContact OE1-NH2 3.37Å
516S78.6Confident76.3Confident74 Ų74100.3 Ų100.352%0.51752%0.522SS..Hα-helixtrans-68.9-51.2172.7-173.30000110.8S512 E513 V514 R518 K519 S520S512-S516 PolarHBondContact O-N 3.46Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.95Å; E513-S516 VanDerWaalsContact O-N 3.15Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 3.25Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.81Å; S516-K519 WeakPolarHBondContact O-CB 3.35Å; S516-K519 PolarHBondContact O-N 3.45Å; S516-S520 PolarHBondContact O-N 2.74Å
517N78.9Confident75.5Confident79 Ų79104.6 Ų104.642%0.42254%0.535SS..Hα-helixtrans-64.5-31.6-178.3-64.4-18.9000112.4E513 V514 K519 S520 L521E513-N517 PolarHBondContact O-N 3.02Å; E513-N517 PolarHBondContact O-ND2 3.4Å; V514-N517 PolarHBondContact O-N 2.98Å; N517-K519 VanDerWaalsContact C-N 3.26Å; N517-K519 PolarHBondContact O-N 2.86Å; N517-S520 PolarHBondContact O-N 2.88Å; N517-S520 PolarHBondContact O-OG 3.04Å; N517-L521 WeakPolarHBondContact O-CG 3.23Å; N517-L521 PolarHBondContact O-N 3.24Å
518R79.1Confident74.7Confident127 Ų127109.6 Ų109.648%0.47954%0.544SS..Hα-helixtrans-64.1-28.3171.9-169.5177.165.581.1-5.1113V514 E515 S516 L522V514-R518 WeakPolarHBondContact O-CB 3.36Å; V514-R518 PolarHBondContact O-N 3.42Å; E515-R518 IonicContact OE1-NH2 2.71Å; E515-R518 PolarHBondContact OE1-NH2 3.37Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.81Å; R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.16Å
519K77.7Confident73.7Confident135 Ų135112.5 Ų112.559%0.58756%0.555SS**Hα-helixtrans-82.2-29.1179-74.3171.2-178.9161.70113.3S516 N517S516-K519 WeakPolarHBondContact O-CB 3.35Å; S516-K519 PolarHBondContact O-N 3.45Å; N517-K519 VanDerWaalsContact C-N 3.26Å; N517-K519 PolarHBondContact O-N 2.86Å
520S76.7Confident72.6Confident61 Ų61110.9 Ų110.943%0.42756%0.559SS.*Hα-helixtrans-71.6-48171.755.30000111.3S516 N517 L522 K523 E524S516-S520 PolarHBondContact O-N 2.74Å; N517-S520 PolarHBondContact O-N 2.88Å; N517-S520 PolarHBondContact O-OG 3.04Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.22Å; S520-K523 WeakPolarHBondContact O-CA 3.45Å; S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.38Å; S520-E524 PolarHBondContact O-N 3.21Å; S520-E524 VanDerWaalsContact O-N 3.07Å
521L71.2Confident71.7Confident111 Ų111108 Ų10858%0.58155%0.554SS**Hα-helixtrans-59.8-35.7-179.1-75.6165.7000113.4N517 K523 L525N517-L521 WeakPolarHBondContact O-CG 3.23Å; N517-L521 PolarHBondContact O-N 3.24Å; L521-K523 VanDerWaalsContact C-N 3.27Å; L521-K523 PolarHBondContact O-N 3.15Å; L521-L525 PolarHBondContact O-N 2.95Å; L521-L525 VanDerWaalsContact O-N 3.1Å
522L71.7Confident70Confident92 Ų92106.6 Ų106.648%0.48254%0.544SS..Hα-helixtrans-66.2-28.1174.5-81.5169.4000113.2R518 S520R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.16Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.22Å
523K73.3Confident68.6Low122 Ų122111.1 Ų111.153%0.5356%0.556SS.*Hα-helixtrans-80.4-39.5177.9-168.7175.5179.9-70.30111.8S520 L521 L525 E526 E527S520-K523 WeakPolarHBondContact O-CA 3.45Å; S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.38Å; L521-K523 VanDerWaalsContact C-N 3.27Å; L521-K523 PolarHBondContact O-N 3.15Å; K523-L525 PolarHBondContact O-N 2.92Å; K523-E526 PolarHBondContact O-N 2.77Å; K523-E527 IonicContact NZ-OE1 2.68Å; K523-E527 PolarHBondContact NZ-OE1 3Å; K523-E527 PolarHBondContact O-N 3.1Å
524E70.9Confident67.2Low117 Ų117110.4 Ų110.455%0.54756%0.56SS.*Hα-helixtrans-60.9-33.8171.3-68.5176.2127.200111.4S520 E527 Y528S520-E524 PolarHBondContact O-N 3.21Å; S520-E524 VanDerWaalsContact O-N 3.07Å; E524-E527 PolarHBondContact O-N 3.43Å; E524-Y528 WeakPolarHBondContact O-CB 3.15Å; E524-Y528 PolarHBondContact O-N 3.41Å
525L63.8Low66Low98 Ų98109.1 Ų109.151%0.51355%0.547SS..Hα-helixtrans-65.7-39.9177.4-160.776.8000113.5L521 K523 Y528 Q529L521-L525 PolarHBondContact O-N 2.95Å; L521-L525 VanDerWaalsContact O-N 3.1Å; K523-L525 PolarHBondContact O-N 2.92Å; L525-Y528 PolarHBondContact O-N 3.25Å; L525-Q529 WeakPolarHBondContact O-CG 3.17Å; L525-Q529 PolarHBondContact O-N 2.92Å
526E67.4Low64.7Low143 Ų143110.6 Ų110.667%0.66856%0.558SS**Hα-helixtrans-67.5-38.2174.8-73.4-173.5136.200111.7K523 S530K523-E526 PolarHBondContact O-N 2.77Å; E526-S530 PolarHBondContact O-OG 3.37Å
527E65.6Low63.8Low116 Ų116111.9 Ų111.954%0.54257%0.567SS.*Hα-helixtrans-68.6-36.6176.4-68.5175.3-161.100111.3K523 E524 S530K523-E527 IonicContact NZ-OE1 2.68Å; K523-E527 PolarHBondContact NZ-OE1 3Å; K523-E527 PolarHBondContact O-N 3.1Å; E524-E527 PolarHBondContact O-N 3.43Å; E527-S530 PolarHBondContact O-N 2.99Å
528Y59.7Low62.8Low156 Ų156113.5 Ų113.561%0.61257%0.572SS**Hα-helixtrans-70.4-33.3178.9-157.8-91.4000114.1E524 L525 S530 S531 H532E524-Y528 WeakPolarHBondContact O-CB 3.15Å; E524-Y528 PolarHBondContact O-N 3.41Å; L525-Y528 PolarHBondContact O-N 3.25Å; Y528-S530 PolarHBondContact O-N 3.06Å; Y528-S531 PolarHBondContact O-OG 3.42Å; Y528-H532 AromaticContact CE1-CD2 3.98Å; Y528-H532 AromaticContact CZ-NE2 3.9Å
529Q57.5Low62Low152 Ų152110.1 Ų110.171%0.7157%0.565SS**THydrogen-bonded Turntrans-68.5-14.7178.1-75.1-176.1-1.100113.8L525L525-Q529 WeakPolarHBondContact O-CG 3.17Å; L525-Q529 PolarHBondContact O-N 2.92Å
530S58.4Low61.3Low109 Ų109110.2 Ų110.276%0.76257%0.568SS**THydrogen-bonded Turntrans-89.9-7.2-170.9-61.90000115E526 E527 Y528E526-S530 PolarHBondContact O-OG 3.37Å; E527-S530 PolarHBondContact O-N 2.99Å; Y528-S530 PolarHBondContact O-N 3.06Å
531S59.5Low60.9Low73 Ų73111.3 Ų111.351%0.5158%0.576SS.*SBendtrans-111.8-15.6-167.359.20000116.4Y528Y528-S531 PolarHBondContact O-OG 3.42Å
532H44.1Very low60.5Low82 Ų82110.2 Ų110.238%0.3857%0.569SS.*  trans-99.63.2-152.8-109.1-79.2000118.3Y528 T534 H535Y528-H532 AromaticContact CE1-CD2 3.98Å; Y528-H532 AromaticContact CZ-NE2 3.9Å; H532-T534 PolarHBondContact O-N 3.15Å; H532-H535 AromaticContact CE1-CD2 3.51Å; H532-H535 AromaticContact ND1-CD2 3.69Å
533H47.2Very low60.4Low181 Ų181110.5 Ų110.584%0.83857%0.568SS**THydrogen-bonded Turntrans-7620.8-174-15855.4000115.2
534T53.3Low60.5Low108 Ų108110 Ų11066%0.66357%0.574SS**THydrogen-bonded Turntrans-135.416.4-175.852.50000113.7H532H532-T534 PolarHBondContact O-N 3.15Å
535H53.7Low60.7Low67 Ų67110 Ų11031%0.3157%0.574SS.*  trans-115.2-10.5-175.7-71.5-2.2000115.4H532 S537 E538 V539H532-H535 AromaticContact CE1-CD2 3.51Å; H532-H535 AromaticContact ND1-CD2 3.69Å; H535-S537 VanDerWaalsContact C-N 3.25Å; H535-S537 PolarHBondContact O-N 2.79Å; H535-E538 CarbonylContact O-C 3.58Å; H535-E538 WeakPolarHBondContact O-CA 3.43Å; H535-E538 PolarHBondContact O-N 3.16Å; H535-V539 HydrophobicContact CB-CG2 4.43Å; H535-V539 WeakPolarHBondContact O-CG2 3.46Å; H535-V539 PolarHBondContact O-N 3.23Å
536D51.1Low61.2Low119 Ų119108.5 Ų108.564%0.63657%0.569SS**Hα-helixtrans-53.5-33.6-174-75.4-7.8000115.2V539 Q540D536-V539 WeakPolarHBondContact O-CB 3.19Å; D536-V539 PolarHBondContact O-N 2.74Å; D536-Q540 PolarHBondContact O-N 2.87Å
537S58.4Low61.7Low102 Ų102106.8 Ų106.871%0.71357%0.565SS**Hα-helixtrans-79.6-23176.650.80000114.1H535H535-S537 VanDerWaalsContact C-N 3.25Å; H535-S537 PolarHBondContact O-N 2.79Å
538E58.6Low62.4Low113 Ų113108.7 Ų108.753%0.52857%0.568SS.*Hα-helixtrans-82.1-31.3167.2-64.8-171.7143.900110.6H535 Q540 S541 M542H535-E538 CarbonylContact O-C 3.58Å; H535-E538 WeakPolarHBondContact O-CA 3.43Å; H535-E538 PolarHBondContact O-N 3.16Å; E538-Q540 VanDerWaalsContact C-N 3.35Å; E538-Q540 PolarHBondContact O-N 2.82Å; E538-S541 PolarHBondContact O-N 2.82Å; E538-M542 HydrophobicContact CB-CE 4.02Å; E538-M542 WeakPolarHBondContact O-CB 3.4Å; E538-M542 WeakPolarHBondContact O-CG 3.38Å; E538-M542 PolarHBondContact O-N 3.41Å
539V62.7Low63.2Low55 Ų55105 Ų10533%0.33356%0.558SS.*Hα-helixtrans-56.3-44.1173.5167.90000111H535 D536 S541 M542 E543H535-V539 HydrophobicContact CB-CG2 4.43Å; H535-V539 WeakPolarHBondContact O-CG2 3.46Å; H535-V539 PolarHBondContact O-N 3.23Å; D536-V539 WeakPolarHBondContact O-CB 3.19Å; D536-V539 PolarHBondContact O-N 2.74Å; V539-S541 PolarHBondContact O-N 3.43Å; V539-M542 CarbonylContact O-C 3.56Å; V539-M542 PolarHBondContact O-N 3.09Å; V539-E543 HydrophobicContact CG1-CG 4.14Å; V539-E543 WeakPolarHBondContact O-CB 3.46Å; V539-E543 VanDerWaalsContact O-CG 3.31Å; V539-E543 WeakPolarHBondContact O-CG 3.5Å; V539-E543 PolarHBondContact O-N 3.42Å
540Q62Low64.2Low137 Ų137102.3 Ų102.364%0.6455%0.549SS*.Hα-helixtrans-67.1-34177.6-71.5-170.3-16.800114.2D536 E538 E543 V544D536-Q540 PolarHBondContact O-N 2.87Å; E538-Q540 VanDerWaalsContact C-N 3.35Å; E538-Q540 PolarHBondContact O-N 2.82Å; Q540-E543 PolarHBondContact O-N 3.37Å; Q540-V544 PolarHBondContact O-N 3.15Å
541S68.8Low65.2Low84 Ų84100.4 Ų100.459%0.58754%0.535SS*.Hα-helixtrans-70-40.2172.4-171.60000111E538 V539 E543 Q545E538-S541 PolarHBondContact O-N 2.82Å; V539-S541 PolarHBondContact O-N 3.43Å; S541-E543 VanDerWaalsContact C-N 3.34Å; S541-Q545 PolarHBondContact O-N 3.39Å
542M64Low66.2Low88 Ų88100.8 Ų100.843%0.43353%0.529SS..Hα-helixtrans-68-30.5173.3-73.7-169-75.400111.7E538 V539 V544 Q545 V546E538-M542 HydrophobicContact CB-CE 4.02Å; E538-M542 WeakPolarHBondContact O-CB 3.4Å; E538-M542 WeakPolarHBondContact O-CG 3.38Å; E538-M542 PolarHBondContact O-N 3.41Å; V539-M542 CarbonylContact O-C 3.56Å; V539-M542 PolarHBondContact O-N 3.09Å; M542-V544 PolarHBondContact O-N 3.34Å; M542-Q545 CarbonylContact O-C 3.49Å; M542-Q545 PolarHBondContact O-N 2.93Å; M542-V546 WeakPolarHBondContact O-CA 3.43Å; M542-V546 WeakPolarHBondContact O-CB 3.47Å; M542-V546 WeakPolarHBondContact O-CG2 3.47Å; M542-V546 PolarHBondContact O-N 2.76Å
543E69Low67.7Low99 Ų99102 Ų10246%0.46354%0.537SS..Hα-helixtrans-64.9-39.6177.4-84.6175.8151.100111.1V539 Q540 S541 N547V539-E543 HydrophobicContact CG1-CG 4.14Å; V539-E543 WeakPolarHBondContact O-CB 3.46Å; V539-E543 VanDerWaalsContact O-CG 3.31Å; V539-E543 WeakPolarHBondContact O-CG 3.5Å; V539-E543 PolarHBondContact O-N 3.42Å; Q540-E543 PolarHBondContact O-N 3.37Å; S541-E543 VanDerWaalsContact C-N 3.34Å; E543-N547 VanDerWaalsContact O-CB 3.31Å; E543-N547 WeakPolarHBondContact O-CB 3.32Å; E543-N547 PolarHBondContact O-N 2.88Å; E543-N547 PolarHBondContact O-ND2 2.85Å
544V75Confident69.3Low111 Ų11194.7 Ų94.767%0.67351%0.511SS*.Hα-helixtrans-67.2-43.4173.8178.90000110.5Q540 M542 N547 Y548Q540-V544 PolarHBondContact O-N 3.15Å; M542-V544 PolarHBondContact O-N 3.34Å; V544-N547 PolarHBondContact O-N 3.24Å; V544-Y548 PolarHBondContact O-N 2.73Å
545Q75.8Confident70.6Confident116 Ų11694.7 Ų94.754%0.54250%0.504SS..Hα-helixtrans-69.5-33.1178.4-166.6170.45.700112.7S541 M542 L549S541-Q545 PolarHBondContact O-N 3.39Å; M542-Q545 CarbonylContact O-C 3.49Å; M542-Q545 PolarHBondContact O-N 2.93Å; Q545-L549 HydrophobicContact CG-CD1 4.09Å; Q545-L549 VanDerWaalsContact O-CB 3.26Å; Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 3.15Å
546V73.7Confident71.7Confident68 Ų6895.9 Ų95.941%0.41251%0.511SS..Hα-helixtrans-74.9-37.8175.71640000109.9M542 Y548 L549 L550M542-V546 WeakPolarHBondContact O-CA 3.43Å; M542-V546 WeakPolarHBondContact O-CB 3.47Å; M542-V546 WeakPolarHBondContact O-CG2 3.47Å; M542-V546 PolarHBondContact O-N 2.76Å; V546-Y548 VanDerWaalsContact C-N 3.34Å; V546-L549 CarbonylContact O-C 3.6Å; V546-L549 PolarHBondContact O-N 3Å; V546-L550 HydrophobicContact CG1-CD1 3.59Å; V546-L550 HydrophobicContact CG1-CG 3.91Å; V546-L550 WeakPolarHBondContact O-CA 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.5Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.3Å
547N78.6Confident73.1Confident107 Ų10794.4 Ų94.457%0.57250%0.503SS*.Hα-helixtrans-66.1-37.2172.2-81-65.1000111.8E543 V544 S551E543-N547 VanDerWaalsContact O-CB 3.31Å; E543-N547 WeakPolarHBondContact O-CB 3.32Å; E543-N547 PolarHBondContact O-N 2.88Å; E543-N547 PolarHBondContact O-ND2 2.85Å; V544-N547 PolarHBondContact O-N 3.24Å; N547-S551 PolarHBondContact O-N 2.98Å
548Y80.1Confident74.1Confident156 Ų15694.1 Ų94.161%0.61249%0.493SS*.Hα-helixtrans-63.2-52.6169.3-179.1-91000111.4V544 V546 L550 S551 E552V544-Y548 PolarHBondContact O-N 2.73Å; V546-Y548 VanDerWaalsContact C-N 3.34Å; Y548-L550 VanDerWaalsContact C-N 3.26Å; Y548-L550 PolarHBondContact O-N 3.25Å; Y548-S551 WeakPolarHBondContact O-CB 3.24Å; Y548-S551 PolarHBondContact O-N 2.93Å; Y548-S551 VanDerWaalsContact O-N 3.12Å; Y548-E552 PolarHBondContact O-N 3.46Å
549L76.7Confident75.3Confident77 Ų7795.6 Ų95.640%0.40349%0.494SS..Hα-helixtrans-66.7-21.8179.4-73.2170.2000113.5Q545 V546 L553Q545-L549 HydrophobicContact CG-CD1 4.09Å; Q545-L549 VanDerWaalsContact O-CB 3.26Å; Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 3.15Å; V546-L549 CarbonylContact O-C 3.6Å; V546-L549 PolarHBondContact O-N 3Å; L549-L553 WeakPolarHBondContact O-CA 3.49Å; L549-L553 WeakPolarHBondContact O-CB 3.42Å; L549-L553 PolarHBondContact O-N 2.79Å
550L78.1Confident76Confident97 Ų9798 Ų9851%0.50851%0.505SS..Hα-helixtrans-81.5-32.3172.3-78.9172.6000111.5V546 Y548 E552 G554V546-L550 HydrophobicContact CG1-CD1 3.59Å; V546-L550 HydrophobicContact CG1-CG 3.91Å; V546-L550 WeakPolarHBondContact O-CA 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.5Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.3Å; Y548-L550 VanDerWaalsContact C-N 3.26Å; Y548-L550 PolarHBondContact O-N 3.25Å; L550-E552 VanDerWaalsContact C-N 3.33Å; L550-G554 WeakPolarHBondContact O-CA 3.31Å; L550-G554 PolarHBondContact O-N 3.03Å
551S79.4Confident76.7Confident68 Ų6894.7 Ų94.748%0.47649%0.494SS..Hα-helixtrans-68.3-36.7166.8-178.30000111N547 Y548 G554 Q555N547-S551 PolarHBondContact O-N 2.98Å; Y548-S551 WeakPolarHBondContact O-CB 3.24Å; Y548-S551 PolarHBondContact O-N 2.93Å; Y548-S551 VanDerWaalsContact O-N 3.12Å; S551-G554 PolarHBondContact O-N 3.48Å; S551-Q555 WeakPolarHBondContact O-CG 3.5Å; S551-Q555 PolarHBondContact O-N 3.06Å
552E80.1Confident77.3Confident81 Ų8194.1 Ų94.138%0.37949%0.487SS..Hα-helixtrans-74.6-40.4176-164.1166.8-148.700111.5Y548 L550 G554 Q555 M556Y548-E552 PolarHBondContact O-N 3.46Å; L550-E552 VanDerWaalsContact C-N 3.33Å; E552-G554 VanDerWaalsContact C-N 3.32Å; E552-G554 PolarHBondContact O-N 2.92Å; E552-Q555 PolarHBondContact O-N 3.39Å; E552-M556 VanDerWaalsContact O-CB 3.28Å; E552-M556 WeakPolarHBondContact O-CB 3.49Å; E552-M556 VanDerWaalsContact O-CG 3.22Å; E552-M556 WeakPolarHBondContact O-CG 3.44Å; E552-M556 PolarHBondContact O-N 3.07Å
553L76.3Confident78.1Confident108 Ų10894.4 Ų94.457%0.56549%0.49SS*.Hα-helixtrans-62.8-36.1167.9-101157.2000111.8L549 M556 N557L549-L553 WeakPolarHBondContact O-CA 3.49Å; L549-L553 WeakPolarHBondContact O-CB 3.42Å; L549-L553 PolarHBondContact O-N 2.79Å; L553-M556 CarbonylContact O-C 3.55Å; L553-M556 PolarHBondContact O-N 3.32Å; L553-N557 WeakPolarHBondContact O-CA 3.49Å; L553-N557 WeakPolarHBondContact O-CB 3.24Å; L553-N557 PolarHBondContact O-N 2.89Å
554G80.4Confident78.6Confident28 Ų2895.3 Ų95.329%0.28949%0.494SS..Hα-helixtrans-60.1-54.6173.700000110.3L550 S551 E552 M556 N557 D558L550-G554 WeakPolarHBondContact O-CA 3.31Å; L550-G554 PolarHBondContact O-N 3.03Å; S551-G554 PolarHBondContact O-N 3.48Å; E552-G554 VanDerWaalsContact C-N 3.32Å; E552-G554 PolarHBondContact O-N 2.92Å; G554-M556 VanDerWaalsContact C-N 3.32Å; G554-M556 PolarHBondContact O-N 3.16Å; G554-N557 CarbonylContact O-C 3.51Å; G554-N557 PolarHBondContact O-N 3.21Å; G554-N557 VanDerWaalsContact O-N 3.11Å; G554-D558 WeakPolarHBondContact O-CB 3.48Å; G554-D558 VanDerWaalsContact O-CG 3.25Å; G554-D558 PolarHBondContact O-N 3.04Å
555Q80.5Confident78.8Confident108 Ų10896.1 Ų96.151%0.50549%0.489SS..Hα-helixtrans-64-33.5176.5-68.5176.736.300113.2S551 E552 R559S551-Q555 WeakPolarHBondContact O-CG 3.5Å; S551-Q555 PolarHBondContact O-N 3.06Å; E552-Q555 PolarHBondContact O-N 3.39Å; Q555-R559 VanDerWaalsContact O-CB 3.3Å; Q555-R559 WeakPolarHBondContact O-CB 3.43Å; Q555-R559 WeakPolarHBondContact O-CD 3.24Å; Q555-R559 WeakPolarHBondContact O-CG 3.34Å; Q555-R559 PolarHBondContact O-N 3.38Å
556M77.5Confident79.2Confident92 Ų9296 Ų9645%0.45349%0.488SS..Hα-helixtrans-76.2-24.7174.2-71.6-64.2-166.400112.9E552 L553 G554 L560E552-M556 VanDerWaalsContact O-CB 3.28Å; E552-M556 WeakPolarHBondContact O-CB 3.49Å; E552-M556 VanDerWaalsContact O-CG 3.22Å; E552-M556 WeakPolarHBondContact O-CG 3.44Å; E552-M556 PolarHBondContact O-N 3.07Å; L553-M556 CarbonylContact O-C 3.55Å; L553-M556 PolarHBondContact O-N 3.32Å; G554-M556 VanDerWaalsContact C-N 3.32Å; G554-M556 PolarHBondContact O-N 3.16Å; M556-L560 VanDerWaalsContact O-CB 3.22Å; M556-L560 WeakPolarHBondContact O-CB 3.37Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.2Å
557N80Confident79.6Confident88 Ų8898.2 Ų98.247%0.47150%0.497SS..Hα-helixtrans-81.6-36.4173.9-17781.8000111.2L553 G554 R559 L560 T561L553-N557 WeakPolarHBondContact O-CA 3.49Å; L553-N557 WeakPolarHBondContact O-CB 3.24Å; L553-N557 PolarHBondContact O-N 2.89Å; G554-N557 CarbonylContact O-C 3.51Å; G554-N557 PolarHBondContact O-N 3.21Å; G554-N557 VanDerWaalsContact O-N 3.11Å; N557-R559 VanDerWaalsContact C-N 3.34Å; N557-L560 PolarHBondContact O-N 2.84Å; N557-T561 WeakPolarHBondContact O-CB 3.49Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 2.74Å; N557-T561 PolarHBondContact O-OG1 3.37Å
558D79Confident79.7Confident96 Ų9696.9 Ų96.951%0.51349%0.493SS..Hα-helixtrans-64.9-41.4168.7-66.9-17.1000110G554 T561 T562G554-D558 WeakPolarHBondContact O-CB 3.48Å; G554-D558 VanDerWaalsContact O-CG 3.25Å; G554-D558 PolarHBondContact O-N 3.04Å; D558-T561 WeakPolarHBondContact CA-OG1 3.45Å; D558-T561 PolarHBondContact O-OG1 3.19Å; D558-T562 VanDerWaalsContact O-CB 3.22Å; D558-T562 WeakPolarHBondContact O-CB 3.37Å; D558-T562 PolarHBondContact O-N 2.81Å; D558-T562 PolarHBondContact O-OG1 3.47Å
559R83.3Confident79.8Confident143 Ų14393.2 Ų93.254%0.5448%0.484SS..Hα-helixtrans-66.6-39.5169.5-74.8170.7-178.5179.53.1112.5Q555 N557 T562 N563Q555-R559 VanDerWaalsContact O-CB 3.3Å; Q555-R559 WeakPolarHBondContact O-CB 3.43Å; Q555-R559 WeakPolarHBondContact O-CD 3.24Å; Q555-R559 WeakPolarHBondContact O-CG 3.34Å; Q555-R559 PolarHBondContact O-N 3.38Å; N557-R559 VanDerWaalsContact C-N 3.34Å; R559-T562 PolarHBondContact O-N 2.87Å; R559-N563 WeakPolarHBondContact O-CB 3.41Å; R559-N563 PolarHBondContact O-N 2.97Å; R559-N563 PolarHBondContact O-ND2 3.06Å; R559-N563 PolarHBondContact O-OD1 3.49Å
560L77.1Confident79.9Confident107 Ų10792.5 Ų92.556%0.5649%0.485SS*.Hα-helixtrans-66.4-45176.8-93.7165.4000111M556 N557 N563 Q564M556-L560 VanDerWaalsContact O-CB 3.22Å; M556-L560 WeakPolarHBondContact O-CB 3.37Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.2Å; N557-L560 PolarHBondContact O-N 2.84Å; L560-N563 CarbonylContact O-C 3.6Å; L560-N563 PolarHBondContact O-N 3.42Å; L560-Q564 WeakPolarHBondContact O-CA 3.36Å; L560-Q564 WeakPolarHBondContact O-CB 3.24Å; L560-Q564 PolarHBondContact O-N 3.04Å
561T78.3Confident80.2Confident67 Ų6792 Ų9241%0.41148%0.48SS..Hα-helixtrans-68.9-34.1177.151.90000112.1N557 D558 K565N557-T561 WeakPolarHBondContact O-CB 3.49Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 2.74Å; N557-T561 PolarHBondContact O-OG1 3.37Å; D558-T561 WeakPolarHBondContact CA-OG1 3.45Å; D558-T561 PolarHBondContact O-OG1 3.19Å; T561-K565 VanDerWaalsContact O-CB 3.26Å; T561-K565 WeakPolarHBondContact O-CB 3.42Å; T561-K565 PolarHBondContact O-N 3.46Å
562T81.1Confident80.2Confident72 Ų7292.2 Ų92.244%0.44248%0.482SS..Hα-helixtrans-66.2-51.4170.4-55.80000110.8D558 R559 Q564 K565 E566D558-T562 VanDerWaalsContact O-CB 3.22Å; D558-T562 WeakPolarHBondContact O-CB 3.37Å; D558-T562 PolarHBondContact O-N 2.81Å; D558-T562 PolarHBondContact O-OG1 3.47Å; R559-T562 PolarHBondContact O-N 2.87Å; T562-Q564 VanDerWaalsContact C-N 3.28Å; T562-Q564 PolarHBondContact O-N 3.16Å; T562-K565 CarbonylContact O-C 3.6Å; T562-K565 WeakPolarHBondContact O-CB 3.45Å; T562-K565 PolarHBondContact O-N 2.77Å; T562-E566 WeakPolarHBondContact O-CB 3.15Å; T562-E566 WeakPolarHBondContact O-CG 3.27Å; T562-E566 PolarHBondContact O-N 3.04Å
563N79.4Confident80.5Confident93 Ų9394 Ų9450%0.49749%0.49SS..Hα-helixtrans-62.9-32.5176.4-69.1-4.5000112.5R559 L560 L567R559-N563 WeakPolarHBondContact O-CB 3.41Å; R559-N563 PolarHBondContact O-N 2.97Å; R559-N563 PolarHBondContact O-ND2 3.06Å; R559-N563 PolarHBondContact O-OD1 3.49Å; L560-N563 CarbonylContact O-C 3.6Å; L560-N563 PolarHBondContact O-N 3.42Å; N563-L567 WeakPolarHBondContact O-CB 3.44Å; N563-L567 PolarHBondContact O-N 3.49Å
564Q81.5Confident80.8Confident118 Ų11891.5 Ų91.555%0.55148%0.479SS*.Hα-helixtrans-77.1-33.4178.5-175.1172.611.800110.5L560 T562 L567 T568L560-Q564 WeakPolarHBondContact O-CA 3.36Å; L560-Q564 WeakPolarHBondContact O-CB 3.24Å; L560-Q564 PolarHBondContact O-N 3.04Å; T562-Q564 VanDerWaalsContact C-N 3.28Å; T562-Q564 PolarHBondContact O-N 3.16Å; Q564-L567 PolarHBondContact O-N 3.18Å; Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 3.33Å; Q564-T568 PolarHBondContact O-OG1 3.41Å
565K79.2Confident81Confident129 Ų12993.8 Ų93.856%0.56149%0.485SS*.Hα-helixtrans-67-48.6166.9-171.8-167.3170.4-164.60110.9T561 T562 L567 T568 D569T561-K565 VanDerWaalsContact O-CB 3.26Å; T561-K565 WeakPolarHBondContact O-CB 3.42Å; T561-K565 PolarHBondContact O-N 3.46Å; T562-K565 CarbonylContact O-C 3.6Å; T562-K565 WeakPolarHBondContact O-CB 3.45Å; T562-K565 PolarHBondContact O-N 2.77Å; K565-L567 PolarHBondContact O-N 3.15Å; K565-T568 WeakPolarHBondContact CA-OG1 3.48Å; K565-T568 PolarHBondContact O-N 3.31Å; K565-T568 VanDerWaalsContact O-N 3.09Å; K565-T568 PolarHBondContact O-OG1 3.32Å; K565-D569 WeakPolarHBondContact CE-OD2 3.2Å; K565-D569 VanDerWaalsContact O-CB 3.31Å; K565-D569 WeakPolarHBondContact O-CB 3.29Å; K565-D569 PolarHBondContact O-N 2.86Å
566E82.8Confident81.1Confident112 Ų11291 Ų9152%0.52348%0.477SS..Hα-helixtrans-59.6-33.1174.2-73.1179.7-171.800111.3T562 S570T562-E566 WeakPolarHBondContact O-CB 3.15Å; T562-E566 WeakPolarHBondContact O-CG 3.27Å; T562-E566 PolarHBondContact O-N 3.04Å; E566-S570 WeakPolarHBondContact O-CB 3.4Å; E566-S570 PolarHBondContact O-N 3.08Å; E566-S570 PolarHBondContact O-OG 3.39Å
567L82.5Confident81.3Confident115 Ų11589.8 Ų89.860%0.60247%0.472SS*.Hα-helixtrans-72.4-38.8172.9-176.865000112.3N563 Q564 K565 Q571N563-L567 WeakPolarHBondContact O-CB 3.44Å; N563-L567 PolarHBondContact O-N 3.49Å; Q564-L567 PolarHBondContact O-N 3.18Å; K565-L567 PolarHBondContact O-N 3.15Å; L567-Q571 WeakPolarHBondContact O-CA 3.46Å; L567-Q571 WeakPolarHBondContact O-CB 3.37Å; L567-Q571 PolarHBondContact O-N 3.18Å
568T80Confident81.6Confident80 Ų8092.9 Ų92.949%0.49148%0.477SS..Hα-helixtrans-70.9-37.1173.250.40000112.2Q564 K565 Q571 S572Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 3.33Å; Q564-T568 PolarHBondContact O-OG1 3.41Å; K565-T568 WeakPolarHBondContact CA-OG1 3.48Å; K565-T568 PolarHBondContact O-N 3.31Å; K565-T568 VanDerWaalsContact O-N 3.09Å; K565-T568 PolarHBondContact O-OG1 3.32Å; T568-Q571 PolarHBondContact O-N 3.44Å; T568-S572 VanDerWaalsContact O-CB 3.32Å; T568-S572 WeakPolarHBondContact O-CB 3.43Å; T568-S572 PolarHBondContact O-N 2.96Å
569D81.8Confident81.9Confident78 Ų7894.3 Ų94.342%0.41748%0.479SS..Hα-helixtrans-66.4-48176.1-68-8.2000108.6K565 Q571 S572 E573K565-D569 WeakPolarHBondContact CE-OD2 3.2Å; K565-D569 VanDerWaalsContact O-CB 3.31Å; K565-D569 WeakPolarHBondContact O-CB 3.29Å; K565-D569 PolarHBondContact O-N 2.86Å; D569-Q571 PolarHBondContact O-N 3.23Å; D569-S572 PolarHBondContact O-N 2.94Å; D569-S572 PolarHBondContact O-OG 2.86Å; D569-E573 PolarHBondContact O-N 3.31Å
570S79.1Confident81.9Confident62 Ų6293.9 Ų93.943%0.43448%0.477SS..Hα-helixtrans-63.2-38173-60.70000113.1E566 E573 V574E566-S570 WeakPolarHBondContact O-CB 3.4Å; E566-S570 PolarHBondContact O-N 3.08Å; E566-S570 PolarHBondContact O-OG 3.39Å; S570-E573 PolarHBondContact O-N 3.5Å; S570-V574 VanDerWaalsContact O-CB 3.29Å; S570-V574 WeakPolarHBondContact O-CB 3.33Å; S570-V574 VanDerWaalsContact O-CG2 3.25Å; S570-V574 WeakPolarHBondContact O-CG2 3.31Å; S570-V574 PolarHBondContact O-N 2.66Å
571Q85Confident82.3Confident87 Ų8793.7 Ų93.741%0.40748%0.476SS..Hα-helixtrans-67.5-38.6175.3179.859.940.500110.4L567 T568 D569 V574 D575L567-Q571 WeakPolarHBondContact O-CA 3.46Å; L567-Q571 WeakPolarHBondContact O-CB 3.37Å; L567-Q571 PolarHBondContact O-N 3.18Å; T568-Q571 PolarHBondContact O-N 3.44Å; D569-Q571 PolarHBondContact O-N 3.23Å; Q571-V574 CarbonylContact O-C 3.56Å; Q571-V574 PolarHBondContact O-N 3.05Å; Q571-D575 PolarHBondContact NE2-OD1 2.91Å; Q571-D575 VanDerWaalsContact NE2-OD1 3.1Å; Q571-D575 PolarHBondContact NE2-OD2 3.36Å; Q571-D575 WeakPolarHBondContact O-CB 3.35Å; Q571-D575 PolarHBondContact O-N 2.85Å
572S80.5Confident82.6Confident73 Ų7395.5 Ų95.551%0.5148%0.483SS..Hα-helixtrans-67.3-36.6173.983.40000112T568 D569 D575 S576T568-S572 VanDerWaalsContact O-CB 3.32Å; T568-S572 WeakPolarHBondContact O-CB 3.43Å; T568-S572 PolarHBondContact O-N 2.96Å; D569-S572 PolarHBondContact O-N 2.94Å; D569-S572 PolarHBondContact O-OG 2.86Å; S572-D575 PolarHBondContact O-N 3.38Å; S572-S576 WeakPolarHBondContact O-CB 3.45Å; S572-S576 PolarHBondContact O-N 3.32Å
573E86.2Confident82.8Confident118 Ų11896.5 Ų96.555%0.55148%0.483SS*.Hα-helixtrans-65.7-48.2171.9-175.7172.1-164.600110.3D569 S570 D575 S576 L577D569-E573 PolarHBondContact O-N 3.31Å; S570-E573 PolarHBondContact O-N 3.5Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.94Å; E573-S576 CarbonylContact O-C 3.51Å; E573-S576 WeakPolarHBondContact O-CA 3.45Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 3.02Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.29Å; E573-L577 HydrophobicContact CG-CD1 3.92Å; E573-L577 HydrophobicContact CG-CG 4.31Å; E573-L577 WeakPolarHBondContact O-CB 3.43Å; E573-L577 VanDerWaalsContact O-CG 3.28Å; E573-L577 WeakPolarHBondContact O-CG 3.48Å; E573-L577 PolarHBondContact O-N 2.88Å
574V82.3Confident82.9Confident56 Ų5694.6 Ų94.634%0.33948%0.477SS..Hα-helixtrans-57.9-40.4175.3162.60000111.7S570 Q571 L577 R578S570-V574 VanDerWaalsContact O-CB 3.29Å; S570-V574 WeakPolarHBondContact O-CB 3.33Å; S570-V574 VanDerWaalsContact O-CG2 3.25Å; S570-V574 WeakPolarHBondContact O-CG2 3.31Å; S570-V574 PolarHBondContact O-N 2.66Å; Q571-V574 CarbonylContact O-C 3.56Å; Q571-V574 PolarHBondContact O-N 3.05Å; V574-L577 PolarHBondContact O-N 3.48Å; V574-R578 HydrophobicContact CG1-CG 4.37Å; V574-R578 VanDerWaalsContact CG1-NE 3.28Å; V574-R578 WeakPolarHBondContact O-CB 3.45Å; V574-R578 WeakPolarHBondContact O-CG 3.37Å; V574-R578 PolarHBondContact O-N 2.92Å
575D83.4Confident83.1Confident76 Ų7691.7 Ų91.741%0.40647%0.467SS..Hα-helixtrans-74.3-33.1176.4-73-30.3000111.9Q571 S572 E573 L577 R578 K579Q571-D575 PolarHBondContact NE2-OD1 2.91Å; Q571-D575 VanDerWaalsContact NE2-OD1 3.1Å; Q571-D575 PolarHBondContact NE2-OD2 3.36Å; Q571-D575 WeakPolarHBondContact O-CB 3.35Å; Q571-D575 PolarHBondContact O-N 2.85Å; S572-D575 PolarHBondContact O-N 3.38Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.94Å; D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.44Å; D575-R578 PolarHBondContact O-N 2.75Å; D575-R578 WeakPolarHBondContact OD1-CD 3.28Å; D575-K579 VanDerWaalsContact O-CB 3.27Å; D575-K579 WeakPolarHBondContact O-CB 3.41Å; D575-K579 PolarHBondContact O-N 3.34Å
576S82.9Confident83.4Confident49 Ų4990.9 Ų90.934%0.34347%0.468SS..Hα-helixtrans-65.3-35169.2910000112.1S572 E573 R580S572-S576 WeakPolarHBondContact O-CB 3.45Å; S572-S576 PolarHBondContact O-N 3.32Å; E573-S576 CarbonylContact O-C 3.51Å; E573-S576 WeakPolarHBondContact O-CA 3.45Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 3.02Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.29Å; S576-R580 VanDerWaalsContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CB 3.48Å; S576-R580 PolarHBondContact O-N 3.39Å; S576-R580 PolarHBondContact OG-NH2 3.45Å
577L82.2Confident83.6Confident66 Ų6691.3 Ų91.335%0.34647%0.47SS..Hα-helixtrans-76.4-40.7177.2-72.6171000110.7E573 V574 D575 K579 R580 I581E573-L577 HydrophobicContact CG-CD1 3.92Å; E573-L577 HydrophobicContact CG-CG 4.31Å; E573-L577 WeakPolarHBondContact O-CB 3.43Å; E573-L577 VanDerWaalsContact O-CG 3.28Å; E573-L577 WeakPolarHBondContact O-CG 3.48Å; E573-L577 PolarHBondContact O-N 2.88Å; V574-L577 PolarHBondContact O-N 3.48Å; D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.44Å; L577-K579 VanDerWaalsContact C-N 3.34Å; L577-R580 PolarHBondContact O-N 2.88Å; L577-I581 VanDerWaalsContact O-CB 3.3Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.45Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.29Å
578R86.8Confident83.7Confident153 Ų15390.3 Ų90.358%0.57747%0.465SS*.Hα-helixtrans-60.7-42.5170.7-75.3164.1-179.6-111.93.7111.2V574 D575 I581 N582V574-R578 HydrophobicContact CG1-CG 4.37Å; V574-R578 VanDerWaalsContact CG1-NE 3.28Å; V574-R578 WeakPolarHBondContact O-CB 3.45Å; V574-R578 WeakPolarHBondContact O-CG 3.37Å; V574-R578 PolarHBondContact O-N 2.92Å; D575-R578 PolarHBondContact O-N 2.75Å; D575-R578 WeakPolarHBondContact OD1-CD 3.28Å; R578-I581 PolarHBondContact O-N 3.39Å; R578-N582 WeakPolarHBondContact O-CB 3.46Å; R578-N582 PolarHBondContact O-N 3.4Å
579K83.8Confident83.9Confident127 Ų12792 Ų9255%0.55247%0.467SS*.Hα-helixtrans-61-48173.7-174.5173.3-174.7-81.60111.1D575 L577 I581 N582 E583D575-K579 VanDerWaalsContact O-CB 3.27Å; D575-K579 WeakPolarHBondContact O-CB 3.41Å; D575-K579 PolarHBondContact O-N 3.34Å; L577-K579 VanDerWaalsContact C-N 3.34Å; K579-I581 PolarHBondContact O-N 2.84Å; K579-N582 PolarHBondContact O-N 2.81Å; K579-E583 WeakPolarHBondContact CE-OE1 3.3Å; K579-E583 IonicContact NZ-OE1 3.68Å; K579-E583 PolarHBondContact NZ-OE1 2.93Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.3Å; K579-E583 WeakPolarHBondContact O-CG 3.37Å; K579-E583 PolarHBondContact O-N 3.34Å
580R84.9Confident84Confident133 Ų13394 Ų9450%0.50247%0.473SS..Hα-helixtrans-64.3-37.4177.5-157-179.9-47.3155.316.1112.9S576 L577 E583 S584S576-R580 VanDerWaalsContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CB 3.48Å; S576-R580 PolarHBondContact O-N 3.39Å; S576-R580 PolarHBondContact OG-NH2 3.45Å; L577-R580 PolarHBondContact O-N 2.88Å; R580-E583 PolarHBondContact O-N 3.01Å; R580-S584 WeakPolarHBondContact O-CB 3.39Å; R580-S584 PolarHBondContact O-N 2.84Å; R580-S584 PolarHBondContact O-OG 3Å
581I84.3Confident84.3Confident103 Ų10395.3 Ų95.353%0.52848%0.475SS..Hα-helixtrans-66.4-42173.1-73.1163.7000110.1L577 R578 K579 T585L577-I581 VanDerWaalsContact O-CB 3.3Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.45Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.29Å; R578-I581 PolarHBondContact O-N 3.39Å; K579-I581 PolarHBondContact O-N 2.84Å; I581-T585 WeakPolarHBondContact O-CA 3.16Å; I581-T585 WeakPolarHBondContact O-CB 3.24Å; I581-T585 PolarHBondContact O-N 2.96Å; I581-T585 PolarHBondContact O-OG1 3.47Å
582N84.2Confident84.3Confident105 Ų10595.1 Ų95.156%0.56148%0.477SS*.Hα-helixtrans-65.3-42.9173.8-87.81.1000111.7R578 K579 T585 L586R578-N582 WeakPolarHBondContact O-CB 3.46Å; R578-N582 PolarHBondContact O-N 3.4Å; K579-N582 PolarHBondContact O-N 2.81Å; N582-T585 PolarHBondContact O-N 3.04Å; N582-L586 WeakPolarHBondContact O-CB 3.18Å; N582-L586 VanDerWaalsContact O-CG 3.3Å; N582-L586 WeakPolarHBondContact O-CG 3.32Å; N582-L586 PolarHBondContact O-N 3.33Å
583E86.1Confident84.5Confident93 Ų9395.3 Ų95.344%0.43548%0.478SS..Hα-helixtrans-59.5-50.6175.4-73.5164.1166.700110.8K579 R580 T585 L586 E587K579-E583 WeakPolarHBondContact CE-OE1 3.3Å; K579-E583 IonicContact NZ-OE1 3.68Å; K579-E583 PolarHBondContact NZ-OE1 2.93Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.3Å; K579-E583 WeakPolarHBondContact O-CG 3.37Å; K579-E583 PolarHBondContact O-N 3.34Å; R580-E583 PolarHBondContact O-N 3.01Å; E583-T585 VanDerWaalsContact C-N 3.33Å; E583-T585 PolarHBondContact O-N 3.48Å; E583-L586 PolarHBondContact O-N 3.41Å; E583-E587 WeakPolarHBondContact O-CB 3.19Å; E583-E587 PolarHBondContact O-N 3.14Å
584S81Confident84.5Confident54 Ų5493.3 Ų93.338%0.37847%0.47SS..Hα-helixtrans-67.6-27.5174.3-62.30000113.7R580 I588R580-S584 WeakPolarHBondContact O-CB 3.39Å; R580-S584 PolarHBondContact O-N 2.84Å; R580-S584 PolarHBondContact O-OG 3Å; S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.38Å; S584-I588 WeakPolarHBondContact O-CD1 3.5Å; S584-I588 WeakPolarHBondContact O-CG1 3.44Å; S584-I588 PolarHBondContact O-N 2.84Å
585T86.7Confident84.7Confident57 Ų5795.4 Ų95.435%0.3548%0.479SS..Hα-helixtrans-73.3-40.4175.6-620000110.9I581 N582 E583 E587 I588 Q589I581-T585 WeakPolarHBondContact O-CA 3.16Å; I581-T585 WeakPolarHBondContact O-CB 3.24Å; I581-T585 PolarHBondContact O-N 2.96Å; I581-T585 PolarHBondContact O-OG1 3.47Å; N582-T585 PolarHBondContact O-N 3.04Å; E583-T585 VanDerWaalsContact C-N 3.33Å; E583-T585 PolarHBondContact O-N 3.48Å; T585-E587 VanDerWaalsContact C-N 3.34Å; T585-I588 PolarHBondContact O-N 3.28Å; T585-Q589 WeakPolarHBondContact O-CB 3.29Å; T585-Q589 VanDerWaalsContact O-CG 3.29Å; T585-Q589 WeakPolarHBondContact O-CG 3.44Å; T585-Q589 PolarHBondContact O-N 3.4Å
586L85.7Confident84.7Confident111 Ų11197 Ų9758%0.58149%0.488SS*.Hα-helixtrans-65.7-38.2171.9-71.6168.6000111.1N582 E583 Q589 H590N582-L586 WeakPolarHBondContact O-CB 3.18Å; N582-L586 VanDerWaalsContact O-CG 3.3Å; N582-L586 WeakPolarHBondContact O-CG 3.32Å; N582-L586 PolarHBondContact O-N 3.33Å; E583-L586 PolarHBondContact O-N 3.41Å; L586-Q589 PolarHBondContact O-N 2.84Å; L586-H590 WeakPolarHBondContact O-CB 3.49Å; L586-H590 PolarHBondContact O-N 2.82Å
587E85.6Confident84.8Confident122 Ų12298.4 Ų98.457%0.5749%0.489SS*.Hα-helixtrans-67.4-40.9173.8-169.1166.8-154.600111.8E583 T585 H590 L591E583-E587 WeakPolarHBondContact O-CB 3.19Å; E583-E587 PolarHBondContact O-N 3.14Å; T585-E587 VanDerWaalsContact C-N 3.34Å; E587-H590 PolarHBondContact O-N 3.18Å; E587-L591 HydrophobicContact CG-CD1 4.17Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.35Å; E587-L591 VanDerWaalsContact O-CG 3.23Å; E587-L591 WeakPolarHBondContact O-CG 3.23Å; E587-L591 PolarHBondContact O-N 3.4Å
588I84.3Confident84.8Confident93 Ų93100.7 Ų100.748%0.47750%0.496SS..Hα-helixtrans-63.9-39.5171.4-73.4163.7000111.3S584 T585 L591 N592S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.38Å; S584-I588 WeakPolarHBondContact O-CD1 3.5Å; S584-I588 WeakPolarHBondContact O-CG1 3.44Å; S584-I588 PolarHBondContact O-N 2.84Å; T585-I588 PolarHBondContact O-N 3.28Å; I588-L591 PolarHBondContact O-N 3.07Å; I588-N592 VanDerWaalsContact O-CB 3.25Å; I588-N592 WeakPolarHBondContact O-CB 3.32Å; I588-N592 PolarHBondContact O-N 2.69Å; I588-N592 PolarHBondContact O-ND2 2.87Å
589Q85.1Confident84.9Confident116 Ų11697.5 Ų97.554%0.54249%0.487SS..Hα-helixtrans-65.9-40.4174.5-77.4175.4-800111.8T585 L586 N592 S593T585-Q589 WeakPolarHBondContact O-CB 3.29Å; T585-Q589 VanDerWaalsContact O-CG 3.29Å; T585-Q589 WeakPolarHBondContact O-CG 3.44Å; T585-Q589 PolarHBondContact O-N 3.4Å; L586-Q589 PolarHBondContact O-N 2.84Å; Q589-N592 PolarHBondContact O-N 2.88Å; Q589-S593 WeakPolarHBondContact O-CB 3.43Å; Q589-S593 PolarHBondContact O-N 3.08Å
590H84.5Confident85Confident119 Ų11997.1 Ų97.155%0.55149%0.489SS*.Hα-helixtrans-66.2-45174.8-177.655.4000111.6L586 E587 N592 S593 M594L586-H590 WeakPolarHBondContact O-CB 3.49Å; L586-H590 PolarHBondContact O-N 2.82Å; E587-H590 PolarHBondContact O-N 3.18Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 3.26Å; H590-S593 WeakPolarHBondContact O-CB 3.26Å; H590-S593 PolarHBondContact O-N 3.39Å; H590-M594 WeakPolarHBondContact O-CB 3.25Å; H590-M594 WeakPolarHBondContact O-CG 3.44Å; H590-M594 PolarHBondContact O-N 2.93Å
591L84.3Confident85Confident91 Ų9196 Ų9648%0.47649%0.487SS..Hα-helixtrans-63.5-37.1174.7-73169.8000112.1E587 I588 L595E587-L591 HydrophobicContact CG-CD1 4.17Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.35Å; E587-L591 VanDerWaalsContact O-CG 3.23Å; E587-L591 WeakPolarHBondContact O-CG 3.23Å; E587-L591 PolarHBondContact O-N 3.4Å; I588-L591 PolarHBondContact O-N 3.07Å; L591-L595 WeakPolarHBondContact O-CB 3.27Å; L591-L595 PolarHBondContact O-N 3.37Å
592N86.1Confident85.1Confident83 Ų8396.3 Ų96.344%0.44449%0.49SS..Hα-helixtrans-70.3-36.3173.3-75.6-21.1000112.1I588 Q589 H590 L595 N596I588-N592 VanDerWaalsContact O-CB 3.25Å; I588-N592 WeakPolarHBondContact O-CB 3.32Å; I588-N592 PolarHBondContact O-N 2.69Å; I588-N592 PolarHBondContact O-ND2 2.87Å; Q589-N592 PolarHBondContact O-N 2.88Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 3.26Å; N592-L595 PolarHBondContact O-N 2.89Å; N592-N596 WeakPolarHBondContact O-CB 3.24Å; N592-N596 PolarHBondContact O-N 3.34Å
593S83.7Confident85.1Confident77 Ų7794.4 Ų94.454%0.53848%0.48SS..Hα-helixtrans-65.5-44.9173.4-176.10000111.1Q589 H590 N596 E597Q589-S593 WeakPolarHBondContact O-CB 3.43Å; Q589-S593 PolarHBondContact O-N 3.08Å; H590-S593 WeakPolarHBondContact O-CB 3.26Å; H590-S593 PolarHBondContact O-N 3.39Å; S593-N596 PolarHBondContact O-N 2.98Å; S593-E597 WeakPolarHBondContact O-CB 3.41Å; S593-E597 PolarHBondContact O-N 3.1Å
594M86Confident85.1Confident75 Ų7593.5 Ų93.537%0.36948%0.475SS..Hα-helixtrans-61.5-42.1170.6-74.9178.959.800111.8H590 E597 K598H590-M594 WeakPolarHBondContact O-CB 3.25Å; H590-M594 WeakPolarHBondContact O-CG 3.44Å; H590-M594 PolarHBondContact O-N 2.93Å; M594-E597 PolarHBondContact O-N 3.33Å; M594-K598 WeakPolarHBondContact O-CB 3.43Å; M594-K598 VanDerWaalsContact O-CG 3.29Å; M594-K598 WeakPolarHBondContact O-CG 3.41Å; M594-K598 PolarHBondContact O-N 3.03Å
595L86.5Confident85.2Confident100 Ų10096.6 Ų96.652%0.52449%0.485SS..Hα-helixtrans-62.7-44.1178.7-177.562.6000110.9L591 N592 K598 Q599L591-L595 WeakPolarHBondContact O-CB 3.27Å; L591-L595 PolarHBondContact O-N 3.37Å; N592-L595 PolarHBondContact O-N 2.89Å; L595-K598 PolarHBondContact O-N 2.94Å; L595-Q599 VanDerWaalsContact O-CB 3.32Å; L595-Q599 WeakPolarHBondContact O-CB 3.42Å; L595-Q599 PolarHBondContact O-N 3.45Å
596N84.7Confident85.1Confident111 Ų11195.3 Ų95.359%0.59448%0.484SS*.Hα-helixtrans-63.8-40.3173.1-77-7.6000112.1N592 S593 Q599 M600N592-N596 WeakPolarHBondContact O-CB 3.24Å; N592-N596 PolarHBondContact O-N 3.34Å; S593-N596 PolarHBondContact O-N 2.98Å; N596-Q599 PolarHBondContact O-N 2.9Å; N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 WeakPolarHBondContact O-CG 3.42Å; N596-M600 PolarHBondContact O-N 2.89Å
597E84.6Confident85.1Confident78 Ų7896.1 Ų96.136%0.36448%0.479SS..Hα-helixtrans-65.1-38.9175.4-168.5-135.812500111.9S593 M594 K601S593-E597 WeakPolarHBondContact O-CB 3.41Å; S593-E597 PolarHBondContact O-N 3.1Å; M594-E597 PolarHBondContact O-N 3.33Å; E597-K601 HydrophobicContact CG-CD 4.49Å; E597-K601 WeakPolarHBondContact O-CB 3.44Å; E597-K601 VanDerWaalsContact O-CG 3.31Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CD 3.45Å; E597-K601 WeakPolarHBondContact OE1-CE 3.43Å; E597-K601 IonicContact OE1-NZ 3.71Å; E597-K601 PolarHBondContact OE1-NZ 3.08Å
598K83Confident85.1Confident114 Ų11494.5 Ų94.550%0.49647%0.471SS..Hα-helixtrans-71.7-35.8174.2-65.1-48.3174.8-157.10112.2M594 L595 K601 L602M594-K598 WeakPolarHBondContact O-CB 3.43Å; M594-K598 VanDerWaalsContact O-CG 3.29Å; M594-K598 WeakPolarHBondContact O-CG 3.41Å; M594-K598 PolarHBondContact O-N 3.03Å; L595-K598 PolarHBondContact O-N 2.94Å; K598-K601 CarbonylContact O-C 3.54Å; K598-K601 PolarHBondContact O-N 3.03Å; K598-L602 VanDerWaalsContact O-CB 3.31Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 PolarHBondContact O-N 3.48Å
599Q88Confident85.1Confident85 Ų8593.6 Ų93.640%0.39747%0.47SS..Hα-helixtrans-65.9-49.2173.8-171.762.150.700110.3L595 N596 K601 L602 D603L595-Q599 VanDerWaalsContact O-CB 3.32Å; L595-Q599 WeakPolarHBondContact O-CB 3.42Å; L595-Q599 PolarHBondContact O-N 3.45Å; N596-Q599 PolarHBondContact O-N 2.9Å; Q599-K601 PolarHBondContact O-N 3.05Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 WeakPolarHBondContact O-CA 3.26Å; Q599-L602 WeakPolarHBondContact O-CB 3.37Å; Q599-L602 PolarHBondContact O-N 3.5Å; Q599-D603 PolarHBondContact NE2-OD1 2.88Å; Q599-D603 PolarHBondContact O-N 3.33Å
600M86.1Confident85.1Confident120 Ų12093.5 Ų93.559%0.59147%0.472SS*.Hα-helixtrans-56.7-38.6174.3-68.8-97.271.300112.1N596 E604N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 WeakPolarHBondContact O-CG 3.42Å; N596-M600 PolarHBondContact O-N 2.89Å; M600-E604 VanDerWaalsContact O-CB 3.23Å; M600-E604 WeakPolarHBondContact O-CB 3.42Å; M600-E604 PolarHBondContact O-N 3.24Å
601K85.5Confident85.1Confident108 Ų10893.3 Ų93.347%0.4747%0.472SS..Hα-helixtrans-72.8-28.5174.2-75.4174.2177.3175.80113.4E597 K598 Q599 M605E597-K601 HydrophobicContact CG-CD 4.49Å; E597-K601 WeakPolarHBondContact O-CB 3.44Å; E597-K601 VanDerWaalsContact O-CG 3.31Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CD 3.45Å; E597-K601 WeakPolarHBondContact OE1-CE 3.43Å; E597-K601 IonicContact OE1-NZ 3.71Å; E597-K601 PolarHBondContact OE1-NZ 3.08Å; K598-K601 CarbonylContact O-C 3.54Å; K598-K601 PolarHBondContact O-N 3.03Å; Q599-K601 PolarHBondContact O-N 3.05Å; K601-M605 VanDerWaalsContact O-CB 3.31Å; K601-M605 WeakPolarHBondContact O-CB 3.14Å; K601-M605 WeakPolarHBondContact O-CG 3.44Å; K601-M605 PolarHBondContact O-N 3.3Å
602L84.6Confident85Confident111 Ų11195.2 Ų95.258%0.58148%0.479SS*.Hα-helixtrans-73.4-39.4172.3-174.963.5000111.3K598 Q599 M605 G606K598-L602 VanDerWaalsContact O-CB 3.31Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 PolarHBondContact O-N 3.48Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 WeakPolarHBondContact O-CA 3.26Å; Q599-L602 WeakPolarHBondContact O-CB 3.37Å; Q599-L602 PolarHBondContact O-N 3.5Å; L602-M605 PolarHBondContact O-N 3.47Å; L602-G606 PolarHBondContact O-N 3.32Å
603D85.7Confident84.9Confident65 Ų6596.8 Ų96.835%0.34848%0.484SS..Hα-helixtrans-70.6-32.3176-56-26.6000111.8Q599 R607Q599-D603 PolarHBondContact NE2-OD1 2.88Å; Q599-D603 PolarHBondContact O-N 3.33Å; D603-R607 PolarHBondContact O-N 2.95Å; D603-R607 VanDerWaalsContact O-N 3.1Å; D603-R607 PolarHBondContact O-NE 3.12Å
604E85Confident85Confident73 Ų7396.9 Ų96.934%0.34149%0.485SS..Hα-helixtrans-70.3-49.3170.8-177.860.8-141.400111.4M600 G606 R607 Q608M600-E604 VanDerWaalsContact O-CB 3.23Å; M600-E604 WeakPolarHBondContact O-CB 3.42Å; M600-E604 PolarHBondContact O-N 3.24Å; E604-G606 VanDerWaalsContact C-N 3.28Å; E604-G606 PolarHBondContact O-N 3.4Å; E604-R607 PolarHBondContact O-N 2.86Å; E604-R607 IonicContact OE1-NH1 2.67Å; E604-R607 IonicContact OE2-CZ 2.67Å; E604-R607 IonicContact OE2-NH1 3.93Å; E604-R607 PolarHBondContact OE2-NH1 3.43Å; E604-R607 IonicContact OE2-NH2 2.75Å; E604-R607 PolarHBondContact OE2-NH2 3.29Å; E604-Q608 WeakPolarHBondContact O-CG 3.46Å; E604-Q608 PolarHBondContact O-N 3.11Å; E604-Q608 PolarHBondContact OE1-NE2 3.4Å
605M83.4Confident84.8Confident119 Ų11998.3 Ų98.359%0.58649%0.491SS*.Hα-helixtrans-59.3-38.9172.4-77.1-72.1-168.200111.9K601 L602 Q608 V609K601-M605 VanDerWaalsContact O-CB 3.31Å; K601-M605 WeakPolarHBondContact O-CB 3.14Å; K601-M605 WeakPolarHBondContact O-CG 3.44Å; K601-M605 PolarHBondContact O-N 3.3Å; L602-M605 PolarHBondContact O-N 3.47Å; M605-Q608 CarbonylContact O-C 3.57Å; M605-Q608 PolarHBondContact O-N 3.36Å; M605-V609 WeakPolarHBondContact O-CG2 3.46Å; M605-V609 PolarHBondContact O-N 3.36Å
606G85.1Confident84.5Confident31 Ų3197.9 Ų97.932%0.3249%0.488SS..Hα-helixtrans-63.7-41176.300000112.6L602 E604 V609 I610L602-G606 PolarHBondContact O-N 3.32Å; E604-G606 VanDerWaalsContact C-N 3.28Å; E604-G606 PolarHBondContact O-N 3.4Å; G606-V609 PolarHBondContact O-N 3.29Å; G606-I610 WeakPolarHBondContact O-CG1 3.47Å; G606-I610 PolarHBondContact O-N 3.3Å
607R86.1Confident84.5Confident128 Ų12895.4 Ų95.448%0.48348%0.48SS..Hα-helixtrans-65-40.4171.5-80.6178.3-74114.61112.2D603 E604 V609 I610 E611D603-R607 PolarHBondContact O-N 2.95Å; D603-R607 VanDerWaalsContact O-N 3.1Å; D603-R607 PolarHBondContact O-NE 3.12Å; E604-R607 PolarHBondContact O-N 2.86Å; E604-R607 IonicContact OE1-NH1 2.67Å; E604-R607 IonicContact OE2-CZ 2.67Å; E604-R607 IonicContact OE2-NH1 3.93Å; E604-R607 PolarHBondContact OE2-NH1 3.43Å; E604-R607 IonicContact OE2-NH2 2.75Å; E604-R607 PolarHBondContact OE2-NH2 3.29Å; R607-V609 VanDerWaalsContact C-N 3.35Å; R607-I610 PolarHBondContact O-N 3.49Å; R607-E611 WeakPolarHBondContact O-CB 3.3Å; R607-E611 PolarHBondContact O-N 2.64Å
608Q85Confident84.5Confident87 Ų8795.1 Ų95.141%0.40749%0.486SS..Hα-helixtrans-66.6-34.1175.6-69.3173.920.200112.4E604 M605 M612E604-Q608 WeakPolarHBondContact O-CG 3.46Å; E604-Q608 PolarHBondContact O-N 3.11Å; E604-Q608 PolarHBondContact OE1-NE2 3.4Å; M605-Q608 CarbonylContact O-C 3.57Å; M605-Q608 PolarHBondContact O-N 3.36Å; Q608-M612 WeakPolarHBondContact O-CB 3.24Å; Q608-M612 VanDerWaalsContact O-CG 3.29Å; Q608-M612 WeakPolarHBondContact O-CG 3.35Å; Q608-M612 PolarHBondContact O-N 3.06Å
609V83.6Confident84.1Confident75 Ų7592.5 Ų92.546%0.45548%0.483SS..Hα-helixtrans-64.7-49.1170.9168.70000110.6M605 G606 R607 E611 M612 E613M605-V609 WeakPolarHBondContact O-CG2 3.46Å; M605-V609 PolarHBondContact O-N 3.36Å; G606-V609 PolarHBondContact O-N 3.29Å; R607-V609 VanDerWaalsContact C-N 3.35Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.24Å; V609-M612 CarbonylContact O-C 3.59Å; V609-M612 PolarHBondContact O-N 3.31Å; V609-E613 HydrophobicContact CG1-CG 4.26Å; V609-E613 WeakPolarHBondContact O-CB 2.79Å; V609-E613 VanDerWaalsContact O-CG 3.32Å; V609-E613 WeakPolarHBondContact O-CG 3.37Å; V609-E613 PolarHBondContact O-N 2.79Å
610I85.6Confident83.8Confident113 Ų11392.5 Ų92.558%0.57949%0.485SS*.Hα-helixtrans-60.9-38.5177.7-67.5164000111.5G606 R607 S614G606-I610 WeakPolarHBondContact O-CG1 3.47Å; G606-I610 PolarHBondContact O-N 3.3Å; R607-I610 PolarHBondContact O-N 3.49Å; I610-S614 WeakPolarHBondContact O-CB 3.49Å; I610-S614 PolarHBondContact O-N 3.05Å
611E85.2Confident83.7Confident116 Ų11692.9 Ų92.954%0.54249%0.486SS..Hα-helixtrans-67.4-44175.4-173.4170.7-174.800111.7R607 V609 S614 Q615R607-E611 WeakPolarHBondContact O-CB 3.3Å; R607-E611 PolarHBondContact O-N 2.64Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.24Å; E611-S614 WeakPolarHBondContact O-CB 3.45Å; E611-S614 PolarHBondContact O-N 3.19Å; E611-Q615 WeakPolarHBondContact O-CG 3.43Å; E611-Q615 PolarHBondContact O-N 3.39Å
612M80.9Confident83.5Confident130 Ų13094.7 Ų94.764%0.6449%0.491SS*.Hα-helixtrans-67.6-33.6174.8-70.5-136.8-60.800112.9Q608 V609 Q615 L616Q608-M612 WeakPolarHBondContact O-CB 3.24Å; Q608-M612 VanDerWaalsContact O-CG 3.29Å; Q608-M612 WeakPolarHBondContact O-CG 3.35Å; Q608-M612 PolarHBondContact O-N 3.06Å; V609-M612 CarbonylContact O-C 3.59Å; V609-M612 PolarHBondContact O-N 3.31Å; M612-Q615 PolarHBondContact O-N 3.24Å; M612-L616 WeakPolarHBondContact O-CB 3.33Å; M612-L616 PolarHBondContact O-N 3.26Å
613E85.5Confident83.1Confident117 Ų11792.8 Ų92.855%0.54748%0.484SS..Hα-helixtrans-64.7-39.5171.3-75.5174.9167.100111.3V609 S617V609-E613 HydrophobicContact CG1-CG 4.26Å; V609-E613 WeakPolarHBondContact O-CB 2.79Å; V609-E613 VanDerWaalsContact O-CG 3.32Å; V609-E613 WeakPolarHBondContact O-CG 3.37Å; V609-E613 PolarHBondContact O-N 2.79Å; E613-S617 WeakPolarHBondContact O-CB 3.43Å; E613-S617 PolarHBondContact O-N 3.42Å
614S83.8Confident83Confident79 Ų7996.4 Ų96.455%0.55250%0.499SS*.Hα-helixtrans-66.6-44.3174.1-171.80000111.9I610 E611 S617 S618I610-S614 WeakPolarHBondContact O-CB 3.49Å; I610-S614 PolarHBondContact O-N 3.05Å; E611-S614 WeakPolarHBondContact O-CB 3.45Å; E611-S614 PolarHBondContact O-N 3.19Å; S614-S617 PolarHBondContact O-N 3.14Å; S614-S618 PolarHBondContact O-N 3.04Å
615Q83.3Confident82.9Confident104 Ų10495.7 Ų95.749%0.48650%0.502SS..Hα-helixtrans-62.4-45.5174.6-71177.917.200111.2E611 M612 S617 S618 S619E611-Q615 WeakPolarHBondContact O-CG 3.43Å; E611-Q615 PolarHBondContact O-N 3.39Å; M612-Q615 PolarHBondContact O-N 3.24Å; Q615-S617 PolarHBondContact O-N 3.14Å; Q615-S618 PolarHBondContact O-N 3.18Å; Q615-S618 PolarHBondContact O-OG 2.93Å; Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.06Å
616L78.9Confident82.5Confident91 Ų9194 Ų9448%0.47649%0.494SS..Hα-helixtrans-58.9-46.9175.5-167.677.4000111.1M612 S618 S619 D620M612-L616 WeakPolarHBondContact O-CB 3.33Å; M612-L616 PolarHBondContact O-N 3.26Å; L616-S618 VanDerWaalsContact C-N 3.31Å; L616-S618 PolarHBondContact O-N 3.38Å; L616-S619 CarbonylContact O-C 3.54Å; L616-S619 WeakPolarHBondContact O-CB 3.42Å; L616-S619 PolarHBondContact O-N 3.14Å; L616-S619 VanDerWaalsContact O-N 3.09Å; L616-D620 PolarHBondContact O-N 3.36Å
617S84.9Confident82.4Confident59 Ų5995.6 Ų95.641%0.41350%0.501SS..Hα-helixtrans-62-36.6176.8-170.30000112.9E613 S614 Q615 Q621E613-S617 WeakPolarHBondContact O-CB 3.43Å; E613-S617 PolarHBondContact O-N 3.42Å; S614-S617 PolarHBondContact O-N 3.14Å; Q615-S617 PolarHBondContact O-N 3.14Å; S617-Q621 WeakPolarHBondContact O-CG 3.28Å; S617-Q621 PolarHBondContact O-N 2.91Å; S617-Q621 VanDerWaalsContact O-N 3.14Å
618S84.5Confident82.3Confident72 Ų7292.7 Ų92.750%0.50350%0.5SS..Hα-helixtrans-69.8-35.8173.578.80000112.3S614 Q615 L616 Q621 Y622S614-S618 PolarHBondContact O-N 3.04Å; Q615-S618 PolarHBondContact O-N 3.18Å; Q615-S618 PolarHBondContact O-OG 2.93Å; L616-S618 VanDerWaalsContact C-N 3.31Å; L616-S618 PolarHBondContact O-N 3.38Å; S618-Q621 PolarHBondContact O-N 3.37Å; S618-Y622 WeakPolarHBondContact O-CB 3.44Å; S618-Y622 PolarHBondContact O-N 2.92Å
619S76.1Confident82.4Confident60 Ų6092.2 Ų92.242%0.4250%0.503SS..Hα-helixtrans-70-37.7175.8-172.20000111.9Q615 L616 Y622 T623Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.06Å; L616-S619 CarbonylContact O-C 3.54Å; L616-S619 WeakPolarHBondContact O-CB 3.42Å; L616-S619 PolarHBondContact O-N 3.14Å; L616-S619 VanDerWaalsContact O-N 3.09Å; S619-Y622 CarbonylContact O-C 3.59Å; S619-Y622 PolarHBondContact O-N 3.31Å; S619-T623 WeakPolarHBondContact O-CG2 3.2Å; S619-T623 PolarHBondContact O-N 3.37Å; S619-T623 PolarHBondContact O-OG1 3.09Å
620D81.9Confident82.2Confident85 Ų8593.6 Ų93.646%0.45551%0.508SS..Hα-helixtrans-63.5-42.2172.8-86.1-14.2000111.9L616 Y622 T623 Q624L616-D620 PolarHBondContact O-N 3.36Å; D620-Y622 VanDerWaalsContact C-N 3.3Å; D620-Y622 PolarHBondContact O-N 3.38Å; D620-T623 WeakPolarHBondContact CA-OG1 3.48Å; D620-T623 PolarHBondContact O-N 3.48Å; D620-T623 PolarHBondContact O-OG1 3.21Å; D620-T623 VanDerWaalsContact O-OG1 3.07Å; D620-Q624 WeakPolarHBondContact O-CB 3.25Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.37Å; D620-Q624 PolarHBondContact O-N 3.37Å
621Q83Confident82.3Confident128 Ų12892.8 Ų92.860%0.59851%0.505SS*.Hα-helixtrans-64.6-38172.9-71.1174.747.500111.2S617 S618 S625S617-Q621 WeakPolarHBondContact O-CG 3.28Å; S617-Q621 PolarHBondContact O-N 2.91Å; S617-Q621 VanDerWaalsContact O-N 3.14Å; S618-Q621 PolarHBondContact O-N 3.37Å; Q621-S625 WeakPolarHBondContact O-CB 3.25Å; Q621-S625 PolarHBondContact O-N 2.82Å
622Y80.8Confident82.3Confident146 Ų14692.1 Ų92.157%0.57351%0.505SS*.Hα-helixtrans-67.8-43.8176.4-172.7-118000112.5S618 S619 D620 S625 L626S618-Y622 WeakPolarHBondContact O-CB 3.44Å; S618-Y622 PolarHBondContact O-N 2.92Å; S619-Y622 CarbonylContact O-C 3.59Å; S619-Y622 PolarHBondContact O-N 3.31Å; D620-Y622 VanDerWaalsContact C-N 3.3Å; D620-Y622 PolarHBondContact O-N 3.38Å; Y622-S625 PolarHBondContact O-N 3.44Å; Y622-S625 PolarHBondContact O-OG 2.89Å; Y622-L626 HydrophobicContact CD1-CD1 3.88Å; Y622-L626 HydrophobicContact CE1-CD1 3.45Å; Y622-L626 VanDerWaalsContact CE1-CD1 3.45Å; Y622-L626 HydrophobicContact CE1-CG 4.19Å; Y622-L626 HydrophobicContact CE2-CG 4.44Å; Y622-L626 PolarHBondContact O-N 2.99Å
623T78Confident82.4Confident71 Ų7190.2 Ų90.244%0.43650%0.497SS..Hα-helixtrans-67.5-34.2175.553.30000112.4S619 D620 L626 S627S619-T623 WeakPolarHBondContact O-CG2 3.2Å; S619-T623 PolarHBondContact O-N 3.37Å; S619-T623 PolarHBondContact O-OG1 3.09Å; D620-T623 WeakPolarHBondContact CA-OG1 3.48Å; D620-T623 PolarHBondContact O-N 3.48Å; D620-T623 PolarHBondContact O-OG1 3.21Å; D620-T623 VanDerWaalsContact O-OG1 3.07Å; T623-L626 PolarHBondContact O-N 3.04Å; T623-S627 WeakPolarHBondContact O-CB 3.47Å; T623-S627 PolarHBondContact O-N 2.85Å
624Q82.2Confident82.3Confident141 Ų14190.5 Ų90.566%0.65950%0.5SS*.Hα-helixtrans-62.9-43.1169.1-75-179.424.200111.8D620 S627 S628D620-Q624 WeakPolarHBondContact O-CB 3.25Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.37Å; D620-Q624 PolarHBondContact O-N 3.37Å; Q624-S627 PolarHBondContact O-N 3.03Å; Q624-S628 PolarHBondContact O-N 3.3Å
625S82.8Confident82.3Confident58 Ų5890.8 Ų90.841%0.40650%0.495SS..Hα-helixtrans-63.3-42.5175.882.20000112.2Q621 Y622 S628 V629Q621-S625 WeakPolarHBondContact O-CB 3.25Å; Q621-S625 PolarHBondContact O-N 2.82Å; Y622-S625 PolarHBondContact O-N 3.44Å; Y622-S625 PolarHBondContact O-OG 2.89Å; S625-S628 PolarHBondContact O-N 2.74Å; S625-V629 WeakPolarHBondContact O-CG2 3.41Å; S625-V629 PolarHBondContact O-N 2.82Å
626L75.6Confident82.4Confident82 Ų8290.3 Ų90.343%0.42949%0.493SS..Hα-helixtrans-64.3-40.2174.5-82.8171.3000111.5Y622 T623 S628 V629 N630Y622-L626 HydrophobicContact CD1-CD1 3.88Å; Y622-L626 HydrophobicContact CE1-CD1 3.45Å; Y622-L626 VanDerWaalsContact CE1-CD1 3.45Å; Y622-L626 HydrophobicContact CE1-CG 4.19Å; Y622-L626 HydrophobicContact CE2-CG 4.44Å; Y622-L626 PolarHBondContact O-N 2.99Å; T623-L626 PolarHBondContact O-N 3.04Å; L626-S628 PolarHBondContact O-N 2.81Å; L626-V629 PolarHBondContact O-N 3.37Å; L626-N630 VanDerWaalsContact O-CB 3.31Å; L626-N630 WeakPolarHBondContact O-CB 3.22Å; L626-N630 PolarHBondContact O-N 3.38Å
627S83.7Confident82.5Confident66 Ų6691.2 Ų91.246%0.46250%0.497SS..Hα-helixtrans-60.9-44.6175.8-1670000111.4T623 Q624 V629 N630 D631T623-S627 WeakPolarHBondContact O-CB 3.47Å; T623-S627 PolarHBondContact O-N 2.85Å; Q624-S627 PolarHBondContact O-N 3.03Å; S627-V629 PolarHBondContact O-N 3.3Å; S627-N630 PolarHBondContact O-N 2.89Å; S627-D631 PolarHBondContact O-N 3.23Å
628S84.2Confident82.6Confident67 Ų6794.4 Ų94.447%0.46950%0.504SS..Hα-helixtrans-59-47.4174.9-169.40000111.5Q624 S625 L626 N630 D631 D632Q624-S628 PolarHBondContact O-N 3.3Å; S625-S628 PolarHBondContact O-N 2.74Å; L626-S628 PolarHBondContact O-N 2.81Å; S628-N630 VanDerWaalsContact C-N 3.29Å; S628-N630 PolarHBondContact O-N 3.32Å; S628-D631 PolarHBondContact O-N 3.04Å; S628-D632 PolarHBondContact O-N 3.09Å
629V86Confident82.7Confident76 Ų7695.8 Ų95.846%0.46151%0.506SS..Hα-helixtrans-64.6-34.1178.1172.30000111.5S625 L626 S627 D632 L633S625-V629 WeakPolarHBondContact O-CG2 3.41Å; S625-V629 PolarHBondContact O-N 2.82Å; L626-V629 PolarHBondContact O-N 3.37Å; S627-V629 PolarHBondContact O-N 3.3Å; V629-D632 PolarHBondContact O-N 2.74Å; V629-L633 HydrophobicContact CG1-CD1 3.95Å; V629-L633 HydrophobicContact CG1-CG 4.37Å; V629-L633 WeakPolarHBondContact O-CB 3.42Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 3.02Å
630N79.9Confident83.1Confident105 Ų10598.5 Ų98.556%0.56151%0.507SS*.Hα-helixtrans-72.8-36.5178-141.715.7000111.8L626 S627 S628 M634L626-N630 VanDerWaalsContact O-CB 3.31Å; L626-N630 WeakPolarHBondContact O-CB 3.22Å; L626-N630 PolarHBondContact O-N 3.38Å; S627-N630 PolarHBondContact O-N 2.89Å; S628-N630 VanDerWaalsContact C-N 3.29Å; S628-N630 PolarHBondContact O-N 3.32Å; N630-M634 VanDerWaalsContact O-CB 3.26Å; N630-M634 WeakPolarHBondContact O-CB 3.17Å; N630-M634 WeakPolarHBondContact O-CG 3.43Å; N630-M634 PolarHBondContact O-N 2.92Å
631D86.3Confident83.3Confident96 Ų9698.6 Ų98.651%0.51351%0.51SS..Hα-helixtrans-65.8-41.7170.8-81.1-38.1000111.5S627 S628 M634 N635S627-D631 PolarHBondContact O-N 3.23Å; S628-D631 PolarHBondContact O-N 3.04Å; D631-M634 PolarHBondContact O-N 3.22Å; D631-N635 WeakPolarHBondContact O-CB 3.14Å; D631-N635 PolarHBondContact O-N 3.26Å; D631-N635 PolarHBondContact O-ND2 3.46Å
632D86Confident83.5Confident102 Ų10296 Ų9655%0.54550%0.501SS..Hα-helixtrans-63.2-44.7174-75.4-36000111.7S628 V629 N635 E636S628-D632 PolarHBondContact O-N 3.09Å; V629-D632 PolarHBondContact O-N 2.74Å; D632-N635 PolarHBondContact O-N 2.84Å; D632-E636 PolarHBondContact O-N 2.82Å
633L83.3Confident83.8Confident90 Ų9093.4 Ų93.447%0.47149%0.494SS..Hα-helixtrans-65.5-37.7175.3-75170.9000112.6V629 N635 E636 L637V629-L633 HydrophobicContact CG1-CD1 3.95Å; V629-L633 HydrophobicContact CG1-CG 4.37Å; V629-L633 WeakPolarHBondContact O-CB 3.42Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 3.02Å; L633-N635 VanDerWaalsContact C-N 3.32Å; L633-E636 PolarHBondContact O-N 3.46Å; L633-L637 VanDerWaalsContact O-CB 3.3Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 3.36Å
634M82.8Confident84.1Confident123 Ų12394.2 Ų94.261%0.60650%0.495SS*.Hα-helixtrans-64.4-37.7172.6-81.2-80.3-81.100111.6N630 D631 K638N630-M634 VanDerWaalsContact O-CB 3.26Å; N630-M634 WeakPolarHBondContact O-CB 3.17Å; N630-M634 WeakPolarHBondContact O-CG 3.43Å; N630-M634 PolarHBondContact O-N 2.92Å; D631-M634 PolarHBondContact O-N 3.22Å; M634-K638 VanDerWaalsContact O-CB 3.22Å; M634-K638 WeakPolarHBondContact O-CB 3.41Å; M634-K638 PolarHBondContact O-N 2.98Å
635N84.8Confident84.3Confident84 Ų8493 Ų9345%0.44949%0.489SS..Hα-helixtrans-69.3-41.1173.6-76.3-56.5000112.1D631 D632 L633 K638 N639D631-N635 WeakPolarHBondContact O-CB 3.14Å; D631-N635 PolarHBondContact O-N 3.26Å; D631-N635 PolarHBondContact O-ND2 3.46Å; D632-N635 PolarHBondContact O-N 2.84Å; L633-N635 VanDerWaalsContact C-N 3.32Å; N635-K638 PolarHBondContact O-N 2.88Å; N635-N639 WeakPolarHBondContact O-CB 3.4Å; N635-N639 PolarHBondContact O-N 3.21Å; N635-N639 PolarHBondContact O-ND2 2.9Å; N635-N639 VanDerWaalsContact O-ND2 3.15Å
636E84.8Confident84.6Confident94 Ų9497.2 Ų97.244%0.43950%0.5SS..Hα-helixtrans-65.9-47172.9-175.9164.3-170.600111.5D632 L633 K638 N639 R640D632-E636 PolarHBondContact O-N 2.82Å; L633-E636 PolarHBondContact O-N 3.46Å; E636-K638 VanDerWaalsContact C-N 3.26Å; E636-K638 PolarHBondContact O-N 2.81Å; E636-N639 CarbonylContact O-C 3.59Å; E636-N639 WeakPolarHBondContact O-CA 3.39Å; E636-N639 WeakPolarHBondContact O-CB 3.29Å; E636-N639 PolarHBondContact O-N 2.92Å; E636-R640 HydrophobicContact CG-CG 3.99Å; E636-R640 WeakPolarHBondContact O-CG 3.43Å; E636-R640 PolarHBondContact O-N 3.39Å; E636-R640 IonicContact OE1-CZ 2.66Å; E636-R640 VanDerWaalsContact OE1-CZ 3.3Å; E636-R640 IonicContact OE1-NE 2.89Å; E636-R640 PolarHBondContact OE1-NE 3.27Å; E636-R640 IonicContact OE1-NH2 2.78Å; E636-R640 PolarHBondContact OE1-NH2 3.38Å
637L80.8Confident85Confident110 Ų11097.5 Ų97.558%0.57650%0.501SS*.Hα-helixtrans-55.3-41.7176.1-79.2170.6000112L633 R640 T641L633-L637 VanDerWaalsContact O-CB 3.3Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 3.36Å; L637-R640 PolarHBondContact O-N 2.79Å; L637-T641 WeakPolarHBondContact O-CB 3.42Å; L637-T641 PolarHBondContact O-N 2.91Å; L637-T641 PolarHBondContact O-OG1 2.97Å
638K87.2Confident85.1Confident127 Ų12799.2 Ų99.255%0.55250%0.502SS*.Hα-helixtrans-63.5-43.2173.7-176.9179.2179.8-177.50112M634 N635 E636 T641 N642M634-K638 VanDerWaalsContact O-CB 3.22Å; M634-K638 WeakPolarHBondContact O-CB 3.41Å; M634-K638 PolarHBondContact O-N 2.98Å; N635-K638 PolarHBondContact O-N 2.88Å; E636-K638 VanDerWaalsContact C-N 3.26Å; E636-K638 PolarHBondContact O-N 2.81Å; K638-T641 PolarHBondContact O-N 2.89Å; K638-N642 PolarHBondContact O-N 3.18Å; K638-N642 PolarHBondContact O-ND2 3.17Å; K638-N642 VanDerWaalsContact O-ND2 3.16Å; K638-N642 PolarHBondContact O-OD1 3.38Å
639N86.7Confident85.2Confident101 Ų10199.6 Ų99.654%0.5450%0.499SS..Hα-helixtrans-64.8-41.6176-71-28.8000112.1N635 E636 N642 E643N635-N639 WeakPolarHBondContact O-CB 3.4Å; N635-N639 PolarHBondContact O-N 3.21Å; N635-N639 PolarHBondContact O-ND2 2.9Å; N635-N639 VanDerWaalsContact O-ND2 3.15Å; E636-N639 CarbonylContact O-C 3.59Å; E636-N639 WeakPolarHBondContact O-CA 3.39Å; E636-N639 WeakPolarHBondContact O-CB 3.29Å; E636-N639 PolarHBondContact O-N 2.92Å; N639-N642 PolarHBondContact O-N 2.94Å; N639-E643 WeakPolarHBondContact O-CB 3.46Å; N639-E643 PolarHBondContact O-N 3.38Å
640R84.2Confident85.2Confident117 Ų117101 Ų10144%0.44250%0.501SS..Hα-helixtrans-64.9-37.3173.5-63.5-54.9-179.6174.52.5112.4E636 L637 E643 I644E636-R640 HydrophobicContact CG-CG 3.99Å; E636-R640 WeakPolarHBondContact O-CG 3.43Å; E636-R640 PolarHBondContact O-N 3.39Å; E636-R640 IonicContact OE1-CZ 2.66Å; E636-R640 VanDerWaalsContact OE1-CZ 3.3Å; E636-R640 IonicContact OE1-NE 2.89Å; E636-R640 PolarHBondContact OE1-NE 3.27Å; E636-R640 IonicContact OE1-NH2 2.78Å; E636-R640 PolarHBondContact OE1-NH2 3.38Å; L637-R640 PolarHBondContact O-N 2.79Å; R640-E643 VanDerWaalsContact CD-OE2 3.26Å; R640-E643 WeakPolarHBondContact CD-OE2 3.41Å; R640-E643 IonicContact CZ-OE2 2.66Å; R640-E643 IonicContact NE-OE2 2.61Å; R640-E643 IonicContact NH1-OE1 3.78Å; R640-E643 IonicContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact NH1-OE2 2.96Å; R640-E643 PolarHBondContact O-N 3.47Å; R640-I644 WeakPolarHBondContact O-CB 3.49Å; R640-I644 VanDerWaalsContact O-CG1 3.25Å; R640-I644 WeakPolarHBondContact O-CG1 3.46Å; R640-I644 PolarHBondContact O-N 3.29Å
641T86.9Confident85.4Confident87 Ų87101.1 Ų101.153%0.53450%0.5SS..Hα-helixtrans-62.5-44.9174.2-56.60000110.8L637 K638 E643 I644 E645L637-T641 WeakPolarHBondContact O-CB 3.42Å; L637-T641 PolarHBondContact O-N 2.91Å; L637-T641 PolarHBondContact O-OG1 2.97Å; K638-T641 PolarHBondContact O-N 2.89Å; T641-E643 VanDerWaalsContact C-N 3.33Å; T641-E643 PolarHBondContact O-N 3.43Å; T641-I644 PolarHBondContact O-N 2.89Å; T641-E645 WeakPolarHBondContact O-CB 3.3Å; T641-E645 PolarHBondContact O-N 3.45Å
642N86.3Confident85.4Confident73 Ų73102.4 Ų102.439%0.3950%0.501SS..Hα-helixtrans-65.3-34.1175-60.1-28.3000112.7K638 N639 K646K638-N642 PolarHBondContact O-N 3.18Å; K638-N642 PolarHBondContact O-ND2 3.17Å; K638-N642 VanDerWaalsContact O-ND2 3.16Å; K638-N642 PolarHBondContact O-OD1 3.38Å; N639-N642 PolarHBondContact O-N 2.94Å; N642-K646 WeakPolarHBondContact O-CG 3.46Å; N642-K646 PolarHBondContact O-N 2.93Å; N642-K646 VanDerWaalsContact O-N 3.1Å
643E86.9Confident85.5Confident91 Ų91104.2 Ų104.243%0.42551%0.506SS..Hα-helixtrans-68.5-44.4175.5-174170.4-130.400111.2N639 R640 T641 K646 L647N639-E643 WeakPolarHBondContact O-CB 3.46Å; N639-E643 PolarHBondContact O-N 3.38Å; R640-E643 VanDerWaalsContact CD-OE2 3.26Å; R640-E643 WeakPolarHBondContact CD-OE2 3.41Å; R640-E643 IonicContact CZ-OE2 2.66Å; R640-E643 IonicContact NE-OE2 2.61Å; R640-E643 IonicContact NH1-OE1 3.78Å; R640-E643 IonicContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact NH1-OE2 2.96Å; R640-E643 PolarHBondContact O-N 3.47Å; T641-E643 VanDerWaalsContact C-N 3.33Å; T641-E643 PolarHBondContact O-N 3.43Å; E643-K646 PolarHBondContact O-N 2.78Å; E643-L647 HydrophobicContact CG-CD1 4.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 2.77Å
644I84Confident85.5Confident89 Ų89104.9 Ų104.946%0.45651%0.51SS..Hα-helixtrans-62.8-42.9173.5-69.8164.2000111R640 T641 K646 L647 Q648R640-I644 WeakPolarHBondContact O-CB 3.49Å; R640-I644 VanDerWaalsContact O-CG1 3.25Å; R640-I644 WeakPolarHBondContact O-CG1 3.46Å; R640-I644 PolarHBondContact O-N 3.29Å; T641-I644 PolarHBondContact O-N 2.89Å; I644-K646 VanDerWaalsContact C-N 3.34Å; I644-K646 PolarHBondContact O-N 3.03Å; I644-L647 PolarHBondContact O-N 3.39Å; I644-Q648 HydrophobicContact CG2-CG 4.3Å; I644-Q648 WeakPolarHBondContact O-CB 3.33Å; I644-Q648 WeakPolarHBondContact O-CG 3.3Å; I644-Q648 PolarHBondContact O-N 3.02Å
645E87Confident85.5Confident116 Ų116103.9 Ų103.954%0.54251%0.505SS..Hα-helixtrans-63.9-38.7177.8-173.3175.6-144.100111.9T641 N649T641-E645 WeakPolarHBondContact O-CB 3.3Å; T641-E645 PolarHBondContact O-N 3.45Å; E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 VanDerWaalsContact O-N 3.09Å; E645-N649 PolarHBondContact O-ND2 3Å
646K89Confident85.5Confident146 Ų146103.3 Ų103.364%0.63551%0.505SS*.Hα-helixtrans-60.5-51.9170.5-78.7179.5176.1-177.60111.8N642 E643 I644 Q648 N649 E650N642-K646 WeakPolarHBondContact O-CG 3.46Å; N642-K646 PolarHBondContact O-N 2.93Å; N642-K646 VanDerWaalsContact O-N 3.1Å; E643-K646 PolarHBondContact O-N 2.78Å; I644-K646 VanDerWaalsContact C-N 3.34Å; I644-K646 PolarHBondContact O-N 3.03Å; K646-Q648 VanDerWaalsContact C-N 3.3Å; K646-Q648 PolarHBondContact O-N 2.75Å; K646-N649 PolarHBondContact O-N 2.86Å; K646-E650 PolarHBondContact O-N 2.68Å
647L84.6Confident85.6Confident88 Ų88100.4 Ų100.446%0.46150%0.5SS..Hα-helixtrans-61.4-37.4-179.8-70.2169.2000112E643 I644 N649 E650 I651E643-L647 HydrophobicContact CG-CD1 4.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 2.77Å; I644-L647 PolarHBondContact O-N 3.39Å; L647-N649 VanDerWaalsContact C-N 3.32Å; L647-N649 PolarHBondContact O-N 3.24Å; L647-E650 PolarHBondContact O-N 2.93Å; L647-I651 WeakPolarHBondContact O-CB 3.46Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 WeakPolarHBondContact O-CG1 3.44Å; L647-I651 PolarHBondContact O-N 3Å
648Q86.4Confident85.7Confident101 Ų10199.8 Ų99.847%0.47250%0.496SS..Hα-helixtrans-64.3-35173.1-75.5-178.19.400112.8I644 K646 K652I644-Q648 HydrophobicContact CG2-CG 4.3Å; I644-Q648 WeakPolarHBondContact O-CB 3.33Å; I644-Q648 WeakPolarHBondContact O-CG 3.3Å; I644-Q648 PolarHBondContact O-N 3.02Å; K646-Q648 VanDerWaalsContact C-N 3.3Å; K646-Q648 PolarHBondContact O-N 2.75Å; Q648-K652 VanDerWaalsContact O-CG 3.29Å; Q648-K652 WeakPolarHBondContact O-CG 3.3Å; Q648-K652 PolarHBondContact O-N 2.95Å
649N85.3Confident85.6Confident76 Ų7698.8 Ų98.841%0.40649%0.494SS..Hα-helixtrans-75.9-36.8176.2-70.9-41.2000112.1E645 K646 L647 K652 Q653E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 VanDerWaalsContact O-N 3.09Å; E645-N649 PolarHBondContact O-ND2 3Å; K646-N649 PolarHBondContact O-N 2.86Å; L647-N649 VanDerWaalsContact C-N 3.32Å; L647-N649 PolarHBondContact O-N 3.24Å; N649-K652 PolarHBondContact O-N 3.07Å; N649-Q653 WeakPolarHBondContact O-CB 3.44Å; N649-Q653 PolarHBondContact O-N 3.34Å
650E86.9Confident85.6Confident106 Ų10699.1 Ų99.150%0.49550%0.495SS..Hα-helixtrans-63.4-41.6169.6-71.4178.9-176.300111.7K646 L647 Q653 N654K646-E650 PolarHBondContact O-N 2.68Å; L647-E650 PolarHBondContact O-N 2.93Å; E650-Q653 PolarHBondContact O-N 2.91Å; E650-N654 WeakPolarHBondContact O-CB 3.24Å; E650-N654 VanDerWaalsContact O-CG 3.27Å; E650-N654 PolarHBondContact O-N 2.87Å; E650-N654 PolarHBondContact O-ND2 3.44Å
651I82.9Confident85.7Confident106 Ų10696.5 Ų96.554%0.54450%0.495SS..Hα-helixtrans-61.7-43.5173.6-72.2164.4000111.1L647 Q653 N654 M655L647-I651 WeakPolarHBondContact O-CB 3.46Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 WeakPolarHBondContact O-CG1 3.44Å; L647-I651 PolarHBondContact O-N 3Å; I651-Q653 VanDerWaalsContact C-N 3.35Å; I651-Q653 PolarHBondContact O-N 3.29Å; I651-N654 PolarHBondContact O-N 3.07Å; I651-M655 HydrophobicContact CG2-CG 4.45Å; I651-M655 WeakPolarHBondContact O-CB 3.29Å; I651-M655 VanDerWaalsContact O-CG 3.24Å; I651-M655 WeakPolarHBondContact O-CG 3.38Å; I651-M655 PolarHBondContact O-N 3.4Å
652K87.2Confident85.7Confident124 Ų12497.3 Ų97.354%0.53949%0.493SS..Hα-helixtrans-61.5-41.5173.6-74.5167.1-171.2164.20112.1Q648 N649 M655 T656Q648-K652 VanDerWaalsContact O-CG 3.29Å; Q648-K652 WeakPolarHBondContact O-CG 3.3Å; Q648-K652 PolarHBondContact O-N 2.95Å; N649-K652 PolarHBondContact O-N 3.07Å; K652-M655 WeakPolarHBondContact O-CB 3.41Å; K652-M655 PolarHBondContact O-N 3.36Å; K652-T656 PolarHBondContact O-N 3.5Å; K652-T656 PolarHBondContact O-OG1 2.96Å
653Q87.8Confident85.7Confident139 Ų139100.3 Ų100.365%0.6550%0.503SS*.Hα-helixtrans-66.1-43.2178.7-169.1170.13.700111.3N649 E650 I651 T656 G657N649-Q653 WeakPolarHBondContact O-CB 3.44Å; N649-Q653 PolarHBondContact O-N 3.34Å; E650-Q653 PolarHBondContact O-N 2.91Å; I651-Q653 VanDerWaalsContact C-N 3.35Å; I651-Q653 PolarHBondContact O-N 3.29Å; Q653-T656 PolarHBondContact O-N 2.98Å; Q653-T656 PolarHBondContact O-OG1 2.98Å; Q653-G657 PolarHBondContact O-N 3.38Å
654N83.6Confident85.7Confident104 Ų104100.5 Ų100.556%0.55651%0.505SS*.Hα-helixtrans-64.9-40174.2-70.3-26.8000112.1E650 I651 T656 G657 I658E650-N654 WeakPolarHBondContact O-CB 3.24Å; E650-N654 VanDerWaalsContact O-CG 3.27Å; E650-N654 PolarHBondContact O-N 2.87Å; E650-N654 PolarHBondContact O-ND2 3.44Å; I651-N654 PolarHBondContact O-N 3.07Å; N654-T656 PolarHBondContact O-N 3.06Å; N654-G657 CarbonylContact O-C 3.57Å; N654-G657 WeakPolarHBondContact O-CA 3.46Å; N654-G657 PolarHBondContact O-N 2.88Å; N654-G657 VanDerWaalsContact O-N 3.14Å; N654-I658 WeakPolarHBondContact O-CG1 3.34Å; N654-I658 PolarHBondContact O-N 2.96Å
655M83.2Confident85.8Confident103 Ų103100.5 Ų100.551%0.50751%0.505SS..Hα-helixtrans-57.1-47172.4-79.9-77.4-69.100111.8I651 K652 G657 I658 Q659I651-M655 HydrophobicContact CG2-CG 4.45Å; I651-M655 WeakPolarHBondContact O-CB 3.29Å; I651-M655 VanDerWaalsContact O-CG 3.24Å; I651-M655 WeakPolarHBondContact O-CG 3.38Å; I651-M655 PolarHBondContact O-N 3.4Å; K652-M655 WeakPolarHBondContact O-CB 3.41Å; K652-M655 PolarHBondContact O-N 3.36Å; M655-G657 VanDerWaalsContact C-N 3.32Å; M655-G657 PolarHBondContact O-N 2.95Å; M655-I658 PolarHBondContact O-N 2.75Å; M655-Q659 WeakPolarHBondContact O-CG 3.46Å; M655-Q659 PolarHBondContact O-N 2.85Å
656T84.9Confident85.8Confident72 Ų72100.6 Ų100.644%0.44251%0.506SS..Hα-helixtrans-67.5-31.5175.856.70000112.8K652 Q653 N654 N660K652-T656 PolarHBondContact O-N 3.5Å; K652-T656 PolarHBondContact O-OG1 2.96Å; Q653-T656 PolarHBondContact O-N 2.98Å; Q653-T656 PolarHBondContact O-OG1 2.98Å; N654-T656 PolarHBondContact O-N 3.06Å; T656-N660 WeakPolarHBondContact O-CB 3.16Å; T656-N660 PolarHBondContact O-N 3.31Å; T656-N660 PolarHBondContact O-ND2 2.94Å
657G85.3Confident85.7Confident33 Ų3399.6 Ų99.634%0.3450%0.504SS..Hα-helixtrans-64.8-41.7171.700000113.1Q653 N654 M655 S661Q653-G657 PolarHBondContact O-N 3.38Å; N654-G657 CarbonylContact O-C 3.57Å; N654-G657 WeakPolarHBondContact O-CA 3.46Å; N654-G657 PolarHBondContact O-N 2.88Å; N654-G657 VanDerWaalsContact O-N 3.14Å; M655-G657 VanDerWaalsContact C-N 3.32Å; M655-G657 PolarHBondContact O-N 2.95Å; G657-S661 WeakPolarHBondContact O-CB 3.22Å; G657-S661 PolarHBondContact O-N 3.46Å; G657-S661 PolarHBondContact O-OG 3.19Å
658I84.4Confident85.7Confident96 Ų96100.4 Ų100.449%0.49251%0.508SS..Hα-helixtrans-65-49.7174.5-69165.3000110.1N654 M655 N660 S661 E662N654-I658 WeakPolarHBondContact O-CG1 3.34Å; N654-I658 PolarHBondContact O-N 2.96Å; M655-I658 PolarHBondContact O-N 2.75Å; I658-N660 VanDerWaalsContact C-N 3.32Å; I658-N660 PolarHBondContact O-N 3.45Å; I658-S661 CarbonylContact O-C 3.6Å; I658-S661 WeakPolarHBondContact O-CA 3.47Å; I658-S661 WeakPolarHBondContact O-CB 3.49Å; I658-S661 PolarHBondContact O-N 3.25Å; I658-E662 HydrophobicContact CG2-CG 4.27Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.37Å
659Q85.1Confident85.7Confident107 Ų107100.8 Ų100.850%0.551%0.509SS..Hα-helixtrans-58.6-40.4178.5-72.7176.8-32.300112.9M655 S661 E662 F663M655-Q659 WeakPolarHBondContact O-CG 3.46Å; M655-Q659 PolarHBondContact O-N 2.85Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.95Å; Q659-E662 PolarHBondContact O-N 2.91Å; Q659-F663 PolarHBondContact O-N 2.83Å
660N86.8Confident85.8Confident107 Ų107103.1 Ų103.157%0.57252%0.516SS*.Hα-helixtrans-65-35.4173-70.9-24.1000112T656 I658 I664T656-N660 WeakPolarHBondContact O-CB 3.16Å; T656-N660 PolarHBondContact O-N 3.31Å; T656-N660 PolarHBondContact O-ND2 2.94Å; I658-N660 VanDerWaalsContact C-N 3.32Å; I658-N660 PolarHBondContact O-N 3.45Å; N660-I664 WeakPolarHBondContact O-CD1 3.36Å; N660-I664 VanDerWaalsContact O-CG1 3.31Å; N660-I664 WeakPolarHBondContact O-CG1 3.13Å; N660-I664 PolarHBondContact O-N 3.3Å; N660-I664 VanDerWaalsContact O-N 3.16Å
661S86.2Confident85.8Confident63 Ų63100.9 Ų100.944%0.44151%0.513SS..Hα-helixtrans-71.7-40.3176.9-55.70000112G657 I658 Q659 F663 I664 I665G657-S661 WeakPolarHBondContact O-CB 3.22Å; G657-S661 PolarHBondContact O-N 3.46Å; G657-S661 PolarHBondContact O-OG 3.19Å; I658-S661 CarbonylContact O-C 3.6Å; I658-S661 WeakPolarHBondContact O-CA 3.47Å; I658-S661 WeakPolarHBondContact O-CB 3.49Å; I658-S661 PolarHBondContact O-N 3.25Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.95Å; S661-F663 VanDerWaalsContact C-N 3.33Å; S661-F663 PolarHBondContact O-N 2.88Å; S661-I664 PolarHBondContact O-N 3.47Å; S661-I665 WeakPolarHBondContact O-CB 3.35Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.46Å; S661-I665 PolarHBondContact O-N 2.77Å
662E85.4Confident85.8Confident103 Ų103100.1 Ų100.148%0.48151%0.513SS..Hα-helixtrans-60.6-41.2173-70.6178.5133.200111.3I658 Q659 I665 Q666I658-E662 HydrophobicContact CG2-CG 4.27Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.37Å; Q659-E662 PolarHBondContact O-N 2.91Å; E662-I665 PolarHBondContact O-N 2.73Å; E662-Q666 WeakPolarHBondContact O-CG 3.4Å; E662-Q666 PolarHBondContact O-N 3.06Å
663F87.6Confident85.7Confident137 Ų137100.4 Ų100.460%0.60152%0.516SS*.Hα-helixtrans-62.7-43.9175.5-167.2-86.7000112.1Q659 S661 I665 Q666 E667Q659-F663 PolarHBondContact O-N 2.83Å; S661-F663 VanDerWaalsContact C-N 3.33Å; S661-F663 PolarHBondContact O-N 2.88Å; F663-I665 VanDerWaalsContact C-N 3.34Å; F663-I665 PolarHBondContact O-N 3.5Å; F663-Q666 PolarHBondContact O-N 2.88Å; F663-E667 PolarHBondContact O-N 2.95Å
664I86.9Confident85.5Confident94 Ų9498.5 Ų98.548%0.48251%0.507SS..Hα-helixtrans-64.6-38.4175.2-68164.4000111.1N660 S661 E667 L668N660-I664 WeakPolarHBondContact O-CD1 3.36Å; N660-I664 VanDerWaalsContact O-CG1 3.31Å; N660-I664 WeakPolarHBondContact O-CG1 3.13Å; N660-I664 PolarHBondContact O-N 3.3Å; N660-I664 VanDerWaalsContact O-N 3.16Å; S661-I664 PolarHBondContact O-N 3.47Å; I664-E667 PolarHBondContact O-N 3.4Å; I664-L668 HydrophobicContact CG2-CD1 4Å; I664-L668 HydrophobicContact CG2-CG 4.47Å; I664-L668 WeakPolarHBondContact O-CB 3.15Å; I664-L668 VanDerWaalsContact O-CG 3.28Å; I664-L668 WeakPolarHBondContact O-CG 3.35Å; I664-L668 PolarHBondContact O-N 3.35Å
665I85Confident85.3Confident89 Ų8998.4 Ų98.446%0.45651%0.506SS..Hα-helixtrans-63.1-46175.2-71.9163.9000110.4S661 E662 F663 E667 L668 E669S661-I665 WeakPolarHBondContact O-CB 3.35Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.46Å; S661-I665 PolarHBondContact O-N 2.77Å; E662-I665 PolarHBondContact O-N 2.73Å; F663-I665 VanDerWaalsContact C-N 3.34Å; F663-I665 PolarHBondContact O-N 3.5Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 2.92Å; I665-L668 CarbonylContact O-C 3.59Å; I665-L668 PolarHBondContact O-N 2.83Å; I665-E669 HydrophobicContact CG2-CG 4.23Å; I665-E669 WeakPolarHBondContact O-CB 3.48Å; I665-E669 WeakPolarHBondContact O-CG 3.4Å; I665-E669 PolarHBondContact O-N 2.92Å
666Q88.1Confident85.4Confident118 Ų11896.7 Ų96.755%0.55150%0.501SS*.Hα-helixtrans-62.3-38.2177.1-71.7173.314.400112.6E662 F663 E669 F670E662-Q666 WeakPolarHBondContact O-CG 3.4Å; E662-Q666 PolarHBondContact O-N 3.06Å; F663-Q666 PolarHBondContact O-N 2.88Å; Q666-E669 PolarHBondContact O-N 2.87Å; Q666-F670 WeakPolarHBondContact O-CB 3.34Å; Q666-F670 PolarHBondContact O-N 3.14Å
667E87.3Confident85.3Confident126 Ų12699.5 Ų99.559%0.58951%0.507SS*.Hα-helixtrans-66.2-38.9175-170.4169.4-146.800111.9F663 I664 I665 S671F663-E667 PolarHBondContact O-N 2.95Å; I664-E667 PolarHBondContact O-N 3.4Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 2.92Å; E667-S671 WeakPolarHBondContact O-CB 3.37Å; E667-S671 PolarHBondContact O-N 2.72Å
668L83.5Confident85.1Confident104 Ų104103.2 Ų103.255%0.54552%0.516SS..Hα-helixtrans-69.7-41.2173.7-71.1171000112.7I664 I665 F670 S671 V672I664-L668 HydrophobicContact CG2-CD1 4Å; I664-L668 HydrophobicContact CG2-CG 4.47Å; I664-L668 WeakPolarHBondContact O-CB 3.15Å; I664-L668 VanDerWaalsContact O-CG 3.28Å; I664-L668 WeakPolarHBondContact O-CG 3.35Å; I664-L668 PolarHBondContact O-N 3.35Å; I665-L668 CarbonylContact O-C 3.59Å; I665-L668 PolarHBondContact O-N 2.83Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 3.08Å; L668-S671 WeakPolarHBondContact O-CB 3.4Å; L668-S671 PolarHBondContact O-N 3.34Å; L668-V672 WeakPolarHBondContact O-CG2 3.18Å; L668-V672 PolarHBondContact O-N 2.85Å
669E86.6Confident84.9Confident109 Ų109103.5 Ų103.551%0.50952%0.518SS..Hα-helixtrans-61.1-43174.9-76.4178.7163.100111.2I665 Q666 S671 V672 Q673I665-E669 HydrophobicContact CG2-CG 4.23Å; I665-E669 WeakPolarHBondContact O-CB 3.48Å; I665-E669 WeakPolarHBondContact O-CG 3.4Å; I665-E669 PolarHBondContact O-N 2.92Å; Q666-E669 PolarHBondContact O-N 2.87Å; E669-S671 VanDerWaalsContact C-N 3.35Å; E669-V672 PolarHBondContact O-N 3.45Å; E669-Q673 WeakPolarHBondContact O-CG 3.34Å; E669-Q673 PolarHBondContact O-N 3.02Å
670F87.3Confident84.8Confident126 Ų126103.9 Ų103.955%0.55352%0.519SS*.Hα-helixtrans-63.5-39.8174.5-176.1-115.7000112.2Q666 L668 Q673 Q674Q666-F670 WeakPolarHBondContact O-CB 3.34Å; Q666-F670 PolarHBondContact O-N 3.14Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 3.08Å; F670-Q673 PolarHBondContact O-N 3.46Å; F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CG 3.27Å; F670-Q674 PolarHBondContact O-N 2.89Å
671S87Confident84.5Confident59 Ų59104.5 Ų104.541%0.41352%0.519SS..Hα-helixtrans-62.6-45173.4-171.70000112.1E667 L668 E669 Q673 Q674 L675E667-S671 WeakPolarHBondContact O-CB 3.37Å; E667-S671 PolarHBondContact O-N 2.72Å; L668-S671 WeakPolarHBondContact O-CB 3.4Å; L668-S671 PolarHBondContact O-N 3.34Å; E669-S671 VanDerWaalsContact C-N 3.35Å; S671-Q673 PolarHBondContact O-N 3.1Å; S671-Q674 PolarHBondContact O-N 3.35Å; S671-L675 WeakPolarHBondContact O-CG 3.43Å; S671-L675 PolarHBondContact O-N 2.9Å
672V83.6Confident84.2Confident90 Ų90105 Ų10555%0.54552%0.523SS..Hα-helixtrans-60.7-45174.6170.10000110.9L668 E669 Q674 L675 T676L668-V672 WeakPolarHBondContact O-CG2 3.18Å; L668-V672 PolarHBondContact O-N 2.85Å; E669-V672 PolarHBondContact O-N 3.45Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 3.32Å; V672-L675 PolarHBondContact O-N 3.33Å; V672-L675 VanDerWaalsContact O-N 3.17Å; V672-T676 PolarHBondContact O-N 3.05Å; V672-T676 PolarHBondContact O-OG1 3.35Å
673Q84.7Confident83.9Confident130 Ų130105.4 Ų105.461%0.60752%0.524SS*.Hα-helixtrans-60.4-38.6176.3-73.1177.422.900112.7E669 F670 S671 K677E669-Q673 WeakPolarHBondContact O-CG 3.34Å; E669-Q673 PolarHBondContact O-N 3.02Å; F670-Q673 PolarHBondContact O-N 3.46Å; S671-Q673 PolarHBondContact O-N 3.1Å; Q673-K677 WeakPolarHBondContact O-CB 3.2Å; Q673-K677 PolarHBondContact O-N 3.31Å; Q673-K677 VanDerWaalsContact O-N 3.1Å
674Q83.9Confident83.6Confident98 Ų98103.9 Ų103.946%0.45852%0.522SS..Hα-helixtrans-65-43.9173.9-71.4-168.724.500112.1F670 S671 V672 K677 Q678F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CG 3.27Å; F670-Q674 PolarHBondContact O-N 2.89Å; S671-Q674 PolarHBondContact O-N 3.35Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 3.32Å; Q674-K677 PolarHBondContact O-N 2.82Å; Q674-Q678 WeakPolarHBondContact O-CG 3.3Å; Q674-Q678 PolarHBondContact O-N 3.43Å
675L79.3Confident83.3Confident102 Ų102104.8 Ų104.853%0.53453%0.527SS..Hα-helixtrans-66.5-40.6178.7-69.8170.5000112.2S671 V672 K677 Q678 L679S671-L675 WeakPolarHBondContact O-CG 3.43Å; S671-L675 PolarHBondContact O-N 2.9Å; V672-L675 PolarHBondContact O-N 3.33Å; V672-L675 VanDerWaalsContact O-N 3.17Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.3Å; L675-Q678 PolarHBondContact O-N 3.43Å; L675-L679 PolarHBondContact O-N 2.93Å
676T84.4Confident83.2Confident67 Ų67107.3 Ų107.341%0.41153%0.531SS..Hα-helixtrans-57.9-45.5172.4-58.10000110.8V672 Q678 L679 E680V672-T676 PolarHBondContact O-N 3.05Å; V672-T676 PolarHBondContact O-OG1 3.35Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.84Å; T676-L679 WeakPolarHBondContact O-CB 3.31Å; T676-L679 PolarHBondContact O-N 3.15Å; T676-L679 VanDerWaalsContact O-N 3.11Å; T676-E680 WeakPolarHBondContact O-CG 3.47Å; T676-E680 PolarHBondContact O-N 2.93Å
677K82.4Confident82.8Confident132 Ų132105.7 Ų105.757%0.57453%0.526SS*.Hα-helixtrans-68-28.9179.6-161.2168.5-169.6168.50113.6Q673 Q674 L675 Q681Q673-K677 WeakPolarHBondContact O-CB 3.2Å; Q673-K677 PolarHBondContact O-N 3.31Å; Q673-K677 VanDerWaalsContact O-N 3.1Å; Q674-K677 PolarHBondContact O-N 2.82Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.3Å; K677-Q681 WeakPolarHBondContact O-CG 3.45Å; K677-Q681 PolarHBondContact O-N 3.43Å
678Q81.1Confident82.5Confident111 Ų111104.9 Ų104.952%0.51952%0.522SS..Hα-helixtrans-72.6-36.9170-71.5176.49.700111.9Q674 L675 T676 Q681 S682Q674-Q678 WeakPolarHBondContact O-CG 3.3Å; Q674-Q678 PolarHBondContact O-N 3.43Å; L675-Q678 PolarHBondContact O-N 3.43Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.84Å; Q678-Q681 PolarHBondContact O-N 2.84Å; Q678-S682 PolarHBondContact O-N 3.25Å
679L79.8Confident82.1Confident102 Ų102103 Ų10353%0.53452%0.521SS..Hα-helixtrans-64.6-47.5174.9-176.662.9000111.2L675 T676 Q681 S682 E683L675-L679 PolarHBondContact O-N 2.93Å; T676-L679 WeakPolarHBondContact O-CB 3.31Å; T676-L679 PolarHBondContact O-N 3.15Å; T676-L679 VanDerWaalsContact O-N 3.11Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.1Å; L679-S682 WeakPolarHBondContact O-CA 3.26Å; L679-S682 WeakPolarHBondContact O-CB 3.22Å; L679-S682 PolarHBondContact O-N 3.06Å; L679-E683 PolarHBondContact O-N 2.81Å
680E83Confident81.7Confident114 Ų114102.2 Ų102.253%0.53352%0.517SS..Hα-helixtrans-52.9-45174.2-72.2172.1169.500112T676 E683 L684T676-E680 WeakPolarHBondContact O-CG 3.47Å; T676-E680 PolarHBondContact O-N 2.93Å; E680-E683 PolarHBondContact O-N 3.39Å; E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.38Å
681Q82.4Confident81.3Confident120 Ų120102.6 Ų102.656%0.56152%0.519SS*.Hα-helixtrans-65-38.8176.7-73.6176.9-5.100112.6K677 Q678 L679 L684 L685K677-Q681 WeakPolarHBondContact O-CG 3.45Å; K677-Q681 PolarHBondContact O-N 3.43Å; Q678-Q681 PolarHBondContact O-N 2.84Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.1Å; Q681-L684 PolarHBondContact O-N 3.44Å; Q681-L685 WeakPolarHBondContact O-CG 3.49Å; Q681-L685 PolarHBondContact O-N 2.98Å; Q681-L685 VanDerWaalsContact O-N 3.17Å
682S79.6Confident80.8Confident74 Ų74102.9 Ų102.952%0.51753%0.525SS..Hα-helixtrans-65.8-42.1175.9-168.60000112Q678 L679 L685 R686Q678-S682 PolarHBondContact O-N 3.25Å; L679-S682 WeakPolarHBondContact O-CA 3.26Å; L679-S682 WeakPolarHBondContact O-CB 3.22Å; L679-S682 PolarHBondContact O-N 3.06Å; S682-L685 PolarHBondContact O-N 2.98Å; S682-R686 PolarHBondContact O-N 3.16Å
683E78.1Confident80.5Confident111 Ų111102 Ų10252%0.51952%0.523SS..Hα-helixtrans-66.8-37.8176.4-68.9-162.3139.500112.4L679 E680 R686 L687L679-E683 PolarHBondContact O-N 2.81Å; E680-E683 PolarHBondContact O-N 3.39Å; E683-R686 WeakPolarHBondContact O-CB 3.44Å; E683-R686 PolarHBondContact O-N 3.27Å; E683-L687 WeakPolarHBondContact O-CB 3.39Å; E683-L687 PolarHBondContact O-N 3Å
684L82.1Confident80.1Confident105 Ų105100.5 Ų100.555%0.5552%0.519SS..Hα-helixtrans-62.2-46176.5-145166.7000110.9E680 Q681 R686 L687 E688E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.38Å; Q681-L684 PolarHBondContact O-N 3.44Å; L684-R686 VanDerWaalsContact C-N 3.34Å; L684-R686 PolarHBondContact O-N 2.78Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 2.91Å; L684-L687 VanDerWaalsContact O-N 3.14Å; L684-E688 HydrophobicContact CD2-CG 4.34Å; L684-E688 PolarHBondContact O-N 3.43Å
685L80.2Confident79.8Confident114 Ų114102.1 Ų102.160%0.59753%0.526SS*.Hα-helixtrans-62.3-37.9173.9-70.6170000112.5Q681 S682 L687 E688 A689Q681-L685 WeakPolarHBondContact O-CG 3.49Å; Q681-L685 PolarHBondContact O-N 2.98Å; Q681-L685 VanDerWaalsContact O-N 3.17Å; S682-L685 PolarHBondContact O-N 2.98Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.81Å; L685-E688 PolarHBondContact O-N 2.87Å; L685-A689 PolarHBondContact O-N 2.85Å
686R82.5Confident79.4Confident141 Ų141100 Ų10053%0.53252%0.523SS..Hα-helixtrans-60.5-41.4173.3-164.3-168.369.5672.5111.3S682 E683 L684 A689 E690S682-R686 PolarHBondContact O-N 3.16Å; E683-R686 WeakPolarHBondContact O-CB 3.44Å; E683-R686 PolarHBondContact O-N 3.27Å; L684-R686 VanDerWaalsContact C-N 3.34Å; L684-R686 PolarHBondContact O-N 2.78Å; R686-A689 PolarHBondContact O-N 3.44Å; R686-E690 IonicContact CZ-OE2 2.74Å; R686-E690 IonicContact NH1-OE2 3.2Å; R686-E690 PolarHBondContact NH1-OE2 3.19Å; R686-E690 IonicContact NH2-OE2 2.78Å; R686-E690 WeakPolarHBondContact O-CB 3.34Å; R686-E690 PolarHBondContact O-N 3.49Å
687L79.6Confident79Confident84 Ų84101.3 Ų101.344%0.4453%0.531SS..Hα-helixtrans-71.3-30.2-179.1-132160.4000112.5E683 L684 L685 K691E683-L687 WeakPolarHBondContact O-CB 3.39Å; E683-L687 PolarHBondContact O-N 3Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 2.91Å; L684-L687 VanDerWaalsContact O-N 3.14Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.81Å; L687-K691 WeakPolarHBondContact O-CD 3.4Å; L687-K691 VanDerWaalsContact O-CG 3.31Å; L687-K691 WeakPolarHBondContact O-CG 3.49Å; L687-K691 PolarHBondContact O-N 3.26Å
688E80.6Confident78.6Confident110 Ų11098.3 Ų98.351%0.51453%0.527SS..Hα-helixtrans-71.7-42.8170.4-69.3-173.4152.300112.2L684 L685 E690 K691 A692L684-E688 HydrophobicContact CD2-CG 4.34Å; L684-E688 PolarHBondContact O-N 3.43Å; L685-E688 PolarHBondContact O-N 2.87Å; E688-E690 VanDerWaalsContact C-N 3.32Å; E688-E690 PolarHBondContact O-N 3.47Å; E688-K691 PolarHBondContact O-N 3.28Å; E688-A692 PolarHBondContact O-N 2.94Å
689A74.8Confident78Confident63 Ų6399 Ų9952%0.52153%0.53SS..Hα-helixtrans-62-38.4174.400000112.5L685 R686 A692 S693L685-A689 PolarHBondContact O-N 2.85Å; R686-A689 PolarHBondContact O-N 3.44Å; A689-A692 PolarHBondContact O-N 3.48Å; A689-S693 PolarHBondContact O-N 3.39Å
690E78.4Confident77.5Confident93 Ų9397.1 Ų97.144%0.43553%0.525SS..Hα-helixtrans-64-41.2175.9-165.2175.4148.800111.9R686 E688 S693 N694R686-E690 IonicContact CZ-OE2 2.74Å; R686-E690 IonicContact NH1-OE2 3.2Å; R686-E690 PolarHBondContact NH1-OE2 3.19Å; R686-E690 IonicContact NH2-OE2 2.78Å; R686-E690 WeakPolarHBondContact O-CB 3.34Å; R686-E690 PolarHBondContact O-N 3.49Å; E688-E690 VanDerWaalsContact C-N 3.32Å; E688-E690 PolarHBondContact O-N 3.47Å; E690-S693 PolarHBondContact O-N 3.37Å; E690-N694 PolarHBondContact O-N 3.17Å; E690-N694 VanDerWaalsContact O-N 3.12Å; E690-N694 PolarHBondContact O-ND2 3.33Å; E690-N694 VanDerWaalsContact O-ND2 3.14Å
691K79.7Confident76.8Confident135 Ų13594.1 Ų94.159%0.58752%0.52SS*.Hα-helixtrans-63.2-42.8173.1-72.3165.4-176.3168.10112.3L687 E688 N694 H695L687-K691 WeakPolarHBondContact O-CD 3.4Å; L687-K691 VanDerWaalsContact O-CG 3.31Å; L687-K691 WeakPolarHBondContact O-CG 3.49Å; L687-K691 PolarHBondContact O-N 3.26Å; E688-K691 PolarHBondContact O-N 3.28Å; K691-N694 PolarHBondContact O-N 3.45Å; K691-H695 PolarHBondContact O-N 2.99Å; K691-H695 VanDerWaalsContact O-N 3.11Å
692A76.7Confident76.1Confident65 Ų6591 Ų9154%0.53752%0.515SS..Hα-helixtrans-63.1-41.3177.500000112.3E688 A689 H695 A696E688-A692 PolarHBondContact O-N 2.94Å; A689-A692 PolarHBondContact O-N 3.48Å; A692-H695 PolarHBondContact O-N 3.18Å; A692-A696 PolarHBondContact O-N 3.11Å
693S77.6Confident75.2Confident71 Ų7193.2 Ų93.250%0.49752%0.52SS..Hα-helixtrans-58.9-49.7174.6-1740000112A689 E690 H695 A696 V697A689-S693 PolarHBondContact O-N 3.39Å; E690-S693 PolarHBondContact O-N 3.37Å; S693-H695 VanDerWaalsContact C-N 3.26Å; S693-H695 PolarHBondContact O-N 3.49Å; S693-A696 PolarHBondContact O-N 3.25Å; S693-V697 WeakPolarHBondContact O-CG2 3.49Å; S693-V697 PolarHBondContact O-N 3.42Å; S693-V697 VanDerWaalsContact O-N 3.13Å
694N76.7Confident74.7Confident99 Ų9995.2 Ų95.253%0.52953%0.527SS..Hα-helixtrans-62.2-32.2179.3-72.2-35.9000112.8E690 K691 S698E690-N694 PolarHBondContact O-N 3.17Å; E690-N694 VanDerWaalsContact O-N 3.12Å; E690-N694 PolarHBondContact O-ND2 3.33Å; E690-N694 VanDerWaalsContact O-ND2 3.14Å; K691-N694 PolarHBondContact O-N 3.45Å; N694-S698 PolarHBondContact O-N 2.95Å; N694-S698 PolarHBondContact O-OG 3.19Å
695H77.7Confident73.9Confident131 Ų13195.3 Ų95.361%0.60653%0.527SS*.Hα-helixtrans-65.6-48.4174.6-167.132000111.9K691 A692 S693 V697 S698 E699K691-H695 PolarHBondContact O-N 2.99Å; K691-H695 VanDerWaalsContact O-N 3.11Å; A692-H695 PolarHBondContact O-N 3.18Å; S693-H695 VanDerWaalsContact C-N 3.26Å; S693-H695 PolarHBondContact O-N 3.49Å; H695-V697 VanDerWaalsContact C-N 3.31Å; H695-V697 PolarHBondContact O-N 2.78Å; H695-S698 PolarHBondContact O-N 3.45Å; H695-S698 VanDerWaalsContact O-N 3.11Å; H695-S698 PolarHBondContact O-OG 2.92Å; H695-E699 PolarHBondContact O-N 3.29Å
696A70.6Confident73.2Confident58 Ų5895.6 Ų95.648%0.47953%0.526SS..Hα-helixtrans-61.5-36.2178.300000113.1A692 S693 S700A692-A696 PolarHBondContact O-N 3.11Å; S693-A696 PolarHBondContact O-N 3.25Å; A696-S700 WeakPolarHBondContact O-CB 3.43Å; A696-S700 PolarHBondContact O-N 2.83Å
697V74.5Confident72Confident95 Ų9594.7 Ų94.758%0.57653%0.531SS*.Hα-helixtrans-64-41.9174.3173.80000111.4S693 H695 S700 A701S693-V697 WeakPolarHBondContact O-CG2 3.49Å; S693-V697 PolarHBondContact O-N 3.42Å; S693-V697 VanDerWaalsContact O-N 3.13Å; H695-V697 VanDerWaalsContact C-N 3.31Å; H695-V697 PolarHBondContact O-N 2.78Å; V697-S700 PolarHBondContact O-N 2.83Å; V697-A701 PolarHBondContact O-N 3.49Å
698S74.1Confident71.1Confident69 Ų6993.6 Ų93.648%0.48353%0.534SS..Hα-helixtrans-69.7-35.2178.461.90000113.6N694 H695 A701 A702N694-S698 PolarHBondContact O-N 2.95Å; N694-S698 PolarHBondContact O-OG 3.19Å; H695-S698 PolarHBondContact O-N 3.45Å; H695-S698 VanDerWaalsContact O-N 3.11Å; H695-S698 PolarHBondContact O-OG 2.92Å; S698-A701 PolarHBondContact O-N 2.77Å; S698-A702 PolarHBondContact O-N 3.01Å
699E70.1Confident70.4Confident125 Ų12594.3 Ų94.358%0.58454%0.535SS*.Hα-helixtrans-68.4-39.6173.8-169.2172.8-143.900111.8H695 A701 A702 L703H695-E699 PolarHBondContact O-N 3.29Å; E699-A701 VanDerWaalsContact C-N 3.25Å; E699-A701 PolarHBondContact O-N 3.44Å; E699-A702 PolarHBondContact O-N 2.78Å; E699-A702 VanDerWaalsContact O-N 3.14Å; E699-L703 PolarHBondContact O-N 3.22Å
700S67.5Low69.4Low62 Ų6297.3 Ų97.343%0.43454%0.536SS..Hα-helixtrans-59.6-34173-167.50000113A696 V697A696-S700 WeakPolarHBondContact O-CB 3.43Å; A696-S700 PolarHBondContact O-N 2.83Å; V697-S700 PolarHBondContact O-N 2.83Å
701A68.4Low68.1Low51 Ų5197.5 Ų97.542%0.42154%0.541SS..Hα-helixtrans-69.6-39.2174.800000112.4V697 S698 E699 L703 K704V697-A701 PolarHBondContact O-N 3.49Å; S698-A701 PolarHBondContact O-N 2.77Å; E699-A701 VanDerWaalsContact C-N 3.25Å; E699-A701 PolarHBondContact O-N 3.44Å; A701-L703 PolarHBondContact O-N 2.8Å; A701-K704 PolarHBondContact O-N 3.5Å
702A68Low66.9Low56 Ų5697.1 Ų97.146%0.46354%0.541SS..Hα-helixtrans-62.8-41.8178.600000112.6S698 E699 K704 I705 E706S698-A702 PolarHBondContact O-N 3.01Å; E699-A702 PolarHBondContact O-N 2.78Å; E699-A702 VanDerWaalsContact O-N 3.14Å; A702-K704 VanDerWaalsContact C-N 3.27Å; A702-K704 PolarHBondContact O-N 3.47Å; A702-I705 WeakPolarHBondContact O-CB 3.42Å; A702-I705 PolarHBondContact O-N 2.93Å; A702-E706 PolarHBondContact O-N 3.37Å
703L62.1Low65.9Low119 Ų119103.2 Ų103.262%0.62355%0.55SS*.Hα-helixtrans-63.5-28.8178.8-69.6172.4000113.4E699 A701 I705 E706 L707E699-L703 PolarHBondContact O-N 3.22Å; A701-L703 PolarHBondContact O-N 2.8Å; L703-I705 VanDerWaalsContact C-N 3.3Å; L703-I705 PolarHBondContact O-N 2.97Å; L703-E706 PolarHBondContact O-N 3.42Å; L703-L707 PolarHBondContact O-N 2.71Å
704K66.9Low64.7Low153 Ų153105.9 Ų105.967%0.66556%0.557SS**Hα-helixtrans-69.4-27.9173.8-68.7175.7-178.3174.50112.7A701 A702 L707 A708A701-K704 PolarHBondContact O-N 3.5Å; A702-K704 VanDerWaalsContact C-N 3.27Å; A702-K704 PolarHBondContact O-N 3.47Å; K704-L707 PolarHBondContact O-N 2.97Å; K704-A708 PolarHBondContact O-N 3.46Å
705I65.8Low63.5Low107 Ų107107.1 Ų107.155%0.54956%0.562SS.*Hα-helixtrans-78.7-30.2178.7-61.4169.9000111.3A702 L703A702-I705 WeakPolarHBondContact O-CB 3.42Å; A702-I705 PolarHBondContact O-N 2.93Å; L703-I705 VanDerWaalsContact C-N 3.3Å; L703-I705 PolarHBondContact O-N 2.97Å
706E65.6Low62.4Low121 Ų121107.2 Ų107.257%0.56557%0.567SS**Hα-helixtrans-63-39.9167.5-98.7-98.6116.800111.9A702 L703 K709A702-E706 PolarHBondContact O-N 3.37Å; L703-E706 PolarHBondContact O-N 3.42Å; E706-K709 PolarHBondContact O-N 2.92Å
707L56.5Low61Low121 Ų121110.4 Ų110.463%0.63458%0.576SS**Hα-helixtrans-61.4-48.6-178.5-160.378.3000111.9L703 K704 K709 K710L703-L707 PolarHBondContact O-N 2.71Å; K704-L707 PolarHBondContact O-N 2.97Å; L707-K709 PolarHBondContact O-N 2.77Å; L707-K709 VanDerWaalsContact O-N 3.17Å; L707-K710 VanDerWaalsContact O-CB 3.28Å; L707-K710 WeakPolarHBondContact O-CB 3.44Å; L707-K710 PolarHBondContact O-N 3.09Å
708A61.7Low59.7Low61 Ų61112.1 Ų112.150%0.50458%0.577SS.*Hα-helixtrans-59.7-28.8-179.700000113.6K704 K710 D711K704-A708 PolarHBondContact O-N 3.46Å; A708-K710 PolarHBondContact O-N 3.38Å; A708-D711 PolarHBondContact O-N 2.91Å
709K63.9Low58.6Low126 Ų126115.4 Ų115.455%0.54859%0.59SS.*Hα-helixtrans-75.9-6.6175.7-65.8175.1-178.3177.10113.6E706 L707E706-K709 PolarHBondContact O-N 2.92Å; L707-K709 PolarHBondContact O-N 2.77Å; L707-K709 VanDerWaalsContact O-N 3.17Å
710K55.1Low57.7Low125 Ų125113.9 Ų113.954%0.54359%0.589SS.*Hα-helixtrans-84-39.3169.6-59.6-80177.9160.20110.7L707 A708 E712 R713L707-K710 VanDerWaalsContact O-CB 3.28Å; L707-K710 WeakPolarHBondContact O-CB 3.44Å; L707-K710 PolarHBondContact O-N 3.09Å; A708-K710 PolarHBondContact O-N 3.38Å; K710-E712 VanDerWaalsContact C-N 3.28Å; K710-E712 PolarHBondContact O-N 3.44Å; K710-R713 WeakPolarHBondContact O-CB 3.29Å; K710-R713 PolarHBondContact O-N 2.81Å; K710-R713 VanDerWaalsContact O-N 3.14Å
711D51.5Low57Low98 Ų98112.7 Ų112.752%0.52459%0.587SS.*Hα-helixtrans-65.2-32.6179.7-60.4-43.5000112.1A708 R713 I714A708-D711 PolarHBondContact O-N 2.91Å; D711-R713 PolarHBondContact O-N 2.7Å; D711-R713 VanDerWaalsContact O-N 3.12Å; D711-I714 VanDerWaalsContact O-CB 3.29Å; D711-I714 WeakPolarHBondContact O-CB 3.46Å; D711-I714 PolarHBondContact O-N 3.32Å
712E54.6Low56.3Low127 Ų127116.6 Ų116.659%0.59360%0.601SS**G310 helixtrans-58.3-23.9174.3-163.1175.3-165.500113.3K710 I714 I715K710-E712 VanDerWaalsContact C-N 3.28Å; K710-E712 PolarHBondContact O-N 3.44Å; E712-I714 VanDerWaalsContact C-N 3.28Å; E712-I714 PolarHBondContact O-N 2.89Å; E712-I715 HydrophobicContact CG-CD1 3.82Å; E712-I715 WeakPolarHBondContact O-CD1 3.49Å; E712-I715 VanDerWaalsContact O-CG1 3.28Å; E712-I715 WeakPolarHBondContact O-CG1 3.41Å
713R54.2Low55.9Low193 Ų193118.1 Ų118.173%0.72860%0.604SS**G310 helixtrans-73.6-16.4173-78.2-177.1159.7115.2-6.4113.8K710 D711 I715K710-R713 WeakPolarHBondContact O-CB 3.29Å; K710-R713 PolarHBondContact O-N 2.81Å; K710-R713 VanDerWaalsContact O-N 3.14Å; D711-R713 PolarHBondContact O-N 2.7Å; D711-R713 VanDerWaalsContact O-N 3.12Å; R713-I715 VanDerWaalsContact C-N 3.33Å
714I52.6Low55.7Low127 Ų127116.8 Ų116.865%0.65160%0.597SS**G310 helixtrans-78-19.6-179-58.3177.9000111.7D711 E712 N716D711-I714 VanDerWaalsContact O-CB 3.29Å; D711-I714 WeakPolarHBondContact O-CB 3.46Å; D711-I714 PolarHBondContact O-N 3.32Å; E712-I714 VanDerWaalsContact C-N 3.28Å; E712-I714 PolarHBondContact O-N 2.89Å; I714-N716 PolarHBondContact O-N 2.87Å; I714-N716 VanDerWaalsContact O-N 3.08Å
715I53Low55.5Low124 Ų124114.1 Ų114.164%0.63659%0.593SS**G310 helixtrans-43.8-45.6177-68.5174.1000113E712 R713E712-I715 HydrophobicContact CG-CD1 3.82Å; E712-I715 WeakPolarHBondContact O-CD1 3.49Å; E712-I715 VanDerWaalsContact O-CG1 3.28Å; E712-I715 WeakPolarHBondContact O-CG1 3.41Å; R713-I715 VanDerWaalsContact C-N 3.33Å
716N53.7Low55.3Low133 Ų133117 Ų11771%0.71161%0.605SS**G310 helixtrans-92.2-11.9-148.9-65.6-72.5000115.9I714I714-N716 PolarHBondContact O-N 2.87Å; I714-N716 VanDerWaalsContact O-N 3.08Å
717L41.1Very low55.4Low125 Ų125117.5 Ų117.565%0.65461%0.605SS**SBendtrans-90.5-50.8-158-94173.4000116.4
718Q47.9Very low55.7Low131 Ų131116.8 Ų116.861%0.61260%0.601SS**  trans-145.5116.8-173.7-91.790.645.200115.9T720Q718-T720 PolarHBondContact O-N 2.99Å; Q718-T720 PolarHBondContact O-OG1 3.46Å
719N50.1Low56.1Low138 Ų138121.6 Ų121.674%0.73861%0.611SS**  57.314.2112.5-51.71.7000118.5
720T51.8Low56.6Low93 Ų93118.9 Ų118.957%0.57161%0.608SS**  trans-92.9-716649.20000112.3Q718 D722 T723 I724Q718-T720 PolarHBondContact O-N 2.99Å; Q718-T720 PolarHBondContact O-OG1 3.46Å; T720-D722 VanDerWaalsContact C-N 3.29Å; T720-D722 PolarHBondContact O-N 3.44Å; T720-T723 WeakPolarHBondContact O-CB 3.33Å; T720-T723 PolarHBondContact O-N 2.9Å; T720-I724 WeakPolarHBondContact O-CG1 3.4Å; T720-I724 PolarHBondContact O-N 3.4Å
721G53.1Low57.1Low38 Ų38117.7 Ų117.739%0.39261%0.607SS.*Hα-helixtrans-56.2-36.9177.300000114.2T723 I724 T725G721-T723 VanDerWaalsContact C-N 3.3Å; G721-T723 PolarHBondContact O-N 3.47Å; G721-I724 WeakPolarHBondContact O-CB 3.49Å; G721-I724 PolarHBondContact O-N 2.83Å; G721-I724 VanDerWaalsContact O-N 3.15Å; G721-T725 PolarHBondContact O-N 3.17Å; G721-T725 VanDerWaalsContact O-N 3.14Å; G721-T725 PolarHBondContact O-OG1 2.88Å
722D53.2Low58.2Low132 Ų132119 Ų11971%0.70661%0.609SS**Hα-helixtrans-64.9-36.9177.1-57.7-40.9000111.4T720T720-D722 VanDerWaalsContact C-N 3.29Å; T720-D722 PolarHBondContact O-N 3.44Å
723T58.5Low59.1Low89 Ų89119.8 Ų119.855%0.54661%0.613SS.*Hα-helixtrans-73.7-30.2174.1-39.10000112.5T720 G721 T725 K727T720-T723 WeakPolarHBondContact O-CB 3.33Å; T720-T723 PolarHBondContact O-N 2.9Å; G721-T723 VanDerWaalsContact C-N 3.3Å; G721-T723 PolarHBondContact O-N 3.47Å; T723-T725 VanDerWaalsContact C-N 3.32Å; T723-K727 PolarHBondContact O-N 2.91Å
724I58.4Low60.2Low90 Ų90114 Ų11446%0.46260%0.6SS.*Hα-helixtrans-67.2-34.9176.9-71.1166.5000110.8T720 G721 Q726 K727 L728T720-I724 WeakPolarHBondContact O-CG1 3.4Å; T720-I724 PolarHBondContact O-N 3.4Å; G721-I724 WeakPolarHBondContact O-CB 3.49Å; G721-I724 PolarHBondContact O-N 2.83Å; G721-I724 VanDerWaalsContact O-N 3.15Å; I724-Q726 VanDerWaalsContact C-N 3.3Å; I724-Q726 PolarHBondContact O-N 3.25Å; I724-K727 PolarHBondContact O-N 2.77Å; I724-L728 HydrophobicContact CG2-CD1 4.38Å; I724-L728 HydrophobicContact CG2-CG 4.5Å; I724-L728 PolarHBondContact O-N 2.89Å
725T63.6Low61.5Low97 Ų97110.9 Ų110.960%0.59559%0.589SS**Hα-helixtrans-60.8-34.4179.5-57.60000113.1G721 T723G721-T725 PolarHBondContact O-N 3.17Å; G721-T725 VanDerWaalsContact O-N 3.14Å; G721-T725 PolarHBondContact O-OG1 2.88Å; T723-T725 VanDerWaalsContact C-N 3.32Å
726Q61.9Low62.6Low168 Ų168109.2 Ų109.279%0.78558%0.581SS**Hα-helixtrans-78.4-29.4172.2-79-170-15.900113.6I724I724-Q726 VanDerWaalsContact C-N 3.3Å; I724-Q726 PolarHBondContact O-N 3.25Å
727K67.5Low63.8Low131 Ų131109 Ų10957%0.5758%0.576SS**Hα-helixtrans-73.4-32.2175.2-79.3-175.1172.4-178.10113.3T723 I724 K729 S730 L731T723-K727 PolarHBondContact O-N 2.91Å; I724-K727 PolarHBondContact O-N 2.77Å; K727-K729 PolarHBondContact O-N 2.92Å; K727-S730 PolarHBondContact O-N 3.41Å; K727-S730 PolarHBondContact O-OG 3.1Å; K727-S730 VanDerWaalsContact O-OG 3.1Å; K727-L731 HydrophobicContact CB-CD1 4.27Å; K727-L731 WeakPolarHBondContact O-CB 3.37Å; K727-L731 WeakPolarHBondContact O-CG 3.49Å; K727-L731 PolarHBondContact O-N 3.49Å
728L62.3Low65.5Low106 Ų106106.5 Ų106.556%0.55557%0.566SS**Hα-helixtrans-51.5-42.9177.5-96.4164.3000112.1I724 S730 L731 E732I724-L728 HydrophobicContact CG2-CD1 4.38Å; I724-L728 HydrophobicContact CG2-CG 4.5Å; I724-L728 PolarHBondContact O-N 2.89Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 2.9Å; L728-L731 PolarHBondContact O-N 2.84Å; L728-E732 WeakPolarHBondContact O-CB 3.17Å; L728-E732 PolarHBondContact O-N 3.4Å
729K70.6Confident67.1Low163 Ų163105.3 Ų105.371%0.70956%0.56SS**Hα-helixtrans-73.5-17.7-174.6-149.2170.8-170.3174.40115K727K727-K729 PolarHBondContact O-N 2.92Å
730S73.9Confident68.5Low69 Ų69105.2 Ų105.248%0.48356%0.556SS.*Hα-helixtrans-95.3-31.3169.253.30000112.3K727 L728 E732 Q733 T734K727-S730 PolarHBondContact O-N 3.41Å; K727-S730 PolarHBondContact O-OG 3.1Å; K727-S730 VanDerWaalsContact O-OG 3.1Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 2.9Å; S730-E732 VanDerWaalsContact C-N 3.32Å; S730-E732 PolarHBondContact O-N 3.15Å; S730-Q733 PolarHBondContact O-N 2.83Å; S730-T734 PolarHBondContact O-N 3.22Å
731L65.1Low70.1Confident100 Ų100105.2 Ų105.252%0.52455%0.551SS.*Hα-helixtrans-65-33.2172.4-72.3169.1000112.7K727 L728 Q733 T734 S735K727-L731 HydrophobicContact CB-CD1 4.27Å; K727-L731 WeakPolarHBondContact O-CB 3.37Å; K727-L731 WeakPolarHBondContact O-CG 3.49Å; K727-L731 PolarHBondContact O-N 3.49Å; L728-L731 PolarHBondContact O-N 2.84Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 3.15Å; L731-T734 PolarHBondContact O-N 2.8Å; L731-T734 PolarHBondContact O-OG1 3.22Å; L731-T734 VanDerWaalsContact O-OG1 3.1Å; L731-S735 VanDerWaalsContact O-CB 3.31Å; L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 2.82Å
732E75.5Confident71.4Confident124 Ų124107.8 Ų107.858%0.57956%0.555SS**Hα-helixtrans-61.2-39.2175-171172.2-144.900111.9L728 S730 S735 N736L728-E732 WeakPolarHBondContact O-CB 3.17Å; L728-E732 PolarHBondContact O-N 3.4Å; S730-E732 VanDerWaalsContact C-N 3.32Å; S730-E732 PolarHBondContact O-N 3.15Å; E732-S735 PolarHBondContact O-N 3.5Å; E732-N736 PolarHBondContact O-N 3.4Å
733Q73.5Confident72.8Confident145 Ų145105.1 Ų105.168%0.67854%0.541SS*.Hα-helixtrans-71-36.1174.8-71.5-168.2-36.600113S730 L731S730-Q733 PolarHBondContact O-N 2.83Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 3.15Å
734T77.2Confident74.1Confident71 Ų71108.4 Ų108.444%0.43655%0.547SS..Hα-helixtrans-73.5-31.9174.558.90000112.1S730 L731 Q737 T738S730-T734 PolarHBondContact O-N 3.22Å; L731-T734 PolarHBondContact O-N 2.8Å; L731-T734 PolarHBondContact O-OG1 3.22Å; L731-T734 VanDerWaalsContact O-OG1 3.1Å; T734-Q737 PolarHBondContact O-N 3.43Å; T734-Q737 VanDerWaalsContact O-N 3.17Å; T734-T738 PolarHBondContact O-N 2.85Å; T734-T738 PolarHBondContact O-OG1 3.04Å
735S78.7Confident75.3Confident61 Ų61111.8 Ų111.843%0.42756%0.556SS.*Hα-helixtrans-57.7-49.2176-170.60000111.8L731 E732 Q737 T738 E739L731-S735 VanDerWaalsContact O-CB 3.31Å; L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 2.82Å; E732-S735 PolarHBondContact O-N 3.5Å; S735-Q737 PolarHBondContact O-N 2.71Å; S735-T738 WeakPolarHBondContact CA-OG1 3.42Å; S735-T738 PolarHBondContact O-N 3.19Å; S735-T738 VanDerWaalsContact O-N 3.17Å; S735-T738 PolarHBondContact O-OG1 3.22Å; S735-E739 WeakPolarHBondContact O-CB 3.26Å; S735-E739 PolarHBondContact O-N 2.82Å
736N77.2Confident76.3Confident89 Ų89111 Ų11148%0.47655%0.547SS..Hα-helixtrans-64.7-28.2179-65.9-7.3000112.4E732 Q740E732-N736 PolarHBondContact O-N 3.4Å; N736-Q740 WeakPolarHBondContact O-CG 3.2Å; N736-Q740 PolarHBondContact O-N 3.02Å
737Q78.8Confident77.4Confident129 Ų129107.6 Ų107.660%0.60353%0.534SS*.Hα-helixtrans-76.5-40.4173.5-68.4-178.4-7.800111.9T734 S735 Q740 I741T734-Q737 PolarHBondContact O-N 3.43Å; T734-Q737 VanDerWaalsContact O-N 3.17Å; S735-Q737 PolarHBondContact O-N 2.71Å; Q737-Q740 PolarHBondContact O-N 2.89Å; Q737-I741 WeakPolarHBondContact O-CG1 3.48Å; Q737-I741 PolarHBondContact O-N 3.29Å
738T77.6Confident78.4Confident72 Ų72103.7 Ų103.744%0.44252%0.523SS..Hα-helixtrans-67.5-35.8175.250.90000111.9T734 S735 I741 I742T734-T738 PolarHBondContact O-N 2.85Å; T734-T738 PolarHBondContact O-OG1 3.04Å; S735-T738 WeakPolarHBondContact CA-OG1 3.42Å; S735-T738 PolarHBondContact O-N 3.19Å; S735-T738 VanDerWaalsContact O-N 3.17Å; S735-T738 PolarHBondContact O-OG1 3.22Å; T738-I741 PolarHBondContact O-N 3.49Å; T738-I741 VanDerWaalsContact O-N 3.15Å; T738-I742 WeakPolarHBondContact O-CB 3.49Å; T738-I742 WeakPolarHBondContact O-CD1 3.34Å; T738-I742 VanDerWaalsContact O-CG1 3.25Å; T738-I742 WeakPolarHBondContact O-CG1 3.28Å; T738-I742 PolarHBondContact O-N 3.29Å
739E80.1Confident79.5Confident106 Ų106102.9 Ų102.950%0.49552%0.517SS..Hα-helixtrans-62.6-42.1175-172.9174.9-161.300112.4S735 I741 I742 N743S735-E739 WeakPolarHBondContact O-CB 3.26Å; S735-E739 PolarHBondContact O-N 2.82Å; E739-I741 VanDerWaalsContact C-N 3.26Å; E739-I741 PolarHBondContact O-N 3.5Å; E739-I742 PolarHBondContact O-N 3.35Å; E739-N743 WeakPolarHBondContact O-CB 2.83Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 3.47Å
740Q79.9Confident80.2Confident137 Ų13799.9 Ų99.964%0.6451%0.507SS*.Hα-helixtrans-65.3-26.9173.7-72.6-178.915.600113.6N736 Q737 K744N736-Q740 WeakPolarHBondContact O-CG 3.2Å; N736-Q740 PolarHBondContact O-N 3.02Å; Q737-Q740 PolarHBondContact O-N 2.89Å; Q740-K744 WeakPolarHBondContact O-CG 3.28Å
741I84.4Confident80.8Confident93 Ų93102.8 Ų102.848%0.47751%0.513SS..Hα-helixtrans-78.9-44.8174.4-68.6167.8000110.3Q737 T738 E739 N743 K744 Y745Q737-I741 WeakPolarHBondContact O-CG1 3.48Å; Q737-I741 PolarHBondContact O-N 3.29Å; T738-I741 PolarHBondContact O-N 3.49Å; T738-I741 VanDerWaalsContact O-N 3.15Å; E739-I741 VanDerWaalsContact C-N 3.26Å; E739-I741 PolarHBondContact O-N 3.5Å; I741-N743 PolarHBondContact O-N 2.73Å; I741-K744 WeakPolarHBondContact O-CB 3.48Å; I741-K744 PolarHBondContact O-N 2.95Å; I741-K744 VanDerWaalsContact O-N 3.13Å; I741-Y745 HydrophobicContact CG2-CD2 3.77Å; I741-Y745 HydrophobicContact CG2-CE2 3.57Å; I741-Y745 WeakPolarHBondContact O-CD2 3.37Å; I741-Y745 PolarHBondContact O-N 2.93Å; I741-Y745 VanDerWaalsContact O-N 3.08Å
742I80.8Confident81.8Confident92 Ų92102.2 Ų102.247%0.47251%0.506SS..Hα-helixtrans-58-47176.3-72.6163.1000110.5T738 E739 K744 Y745 I746T738-I742 WeakPolarHBondContact O-CB 3.49Å; T738-I742 WeakPolarHBondContact O-CD1 3.34Å; T738-I742 VanDerWaalsContact O-CG1 3.25Å; T738-I742 WeakPolarHBondContact O-CG1 3.28Å; T738-I742 PolarHBondContact O-N 3.29Å; E739-I742 PolarHBondContact O-N 3.35Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.3Å; I742-Y745 PolarHBondContact O-N 2.83Å; I742-I746 HydrophobicContact CG2-CD1 3.62Å; I742-I746 HydrophobicContact CG2-CG1 4.22Å; I742-I746 WeakPolarHBondContact O-CG1 3.11Å; I742-I746 PolarHBondContact O-N 3.46Å
743N83.1Confident82.4Confident75 Ų75100.4 Ų100.440%0.40150%0.501SS..Hα-helixtrans-63.1-28.4178.2-74-35.3000113.4E739 I741 N747E739-N743 WeakPolarHBondContact O-CB 2.83Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 3.47Å; I741-N743 PolarHBondContact O-N 2.73Å; N743-N747 VanDerWaalsContact O-CG 3.25Å; N743-N747 PolarHBondContact O-N 3.19Å; N743-N747 PolarHBondContact O-ND2 3.43Å
744K85.1Confident83Confident159 Ų15996.7 Ų96.769%0.69149%0.491SS*.Hα-helixtrans-71.9-40.7171.1-74.4175.9179.5179.20112.3Q740 I741 I742 S748Q740-K744 WeakPolarHBondContact O-CG 3.28Å; I741-K744 WeakPolarHBondContact O-CB 3.48Å; I741-K744 PolarHBondContact O-N 2.95Å; I741-K744 VanDerWaalsContact O-N 3.13Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.3Å; K744-S748 WeakPolarHBondContact O-CB 3.31Å; K744-S748 PolarHBondContact O-N 3.01Å
745Y84.9Confident83.5Confident161 Ų16196.3 Ų96.363%0.63149%0.489SS*.Hα-helixtrans-67.4-41.7175.5-78.4-66.4000112.2I741 I742 N747 S748 E749I741-Y745 HydrophobicContact CG2-CD2 3.77Å; I741-Y745 HydrophobicContact CG2-CE2 3.57Å; I741-Y745 WeakPolarHBondContact O-CD2 3.37Å; I741-Y745 PolarHBondContact O-N 2.93Å; I741-Y745 VanDerWaalsContact O-N 3.08Å; I742-Y745 PolarHBondContact O-N 2.83Å; Y745-N747 PolarHBondContact O-N 3.34Å; Y745-S748 PolarHBondContact O-N 3.41Å; Y745-E749 PolarHBondContact O-N 3.1Å
746I84.7Confident84Confident80 Ų8097.1 Ų97.141%0.4149%0.487SS..Hα-helixtrans-57.4-49.3175.2-70.7170.6000110.7I742 S748 E749 I750I742-I746 HydrophobicContact CG2-CD1 3.62Å; I742-I746 HydrophobicContact CG2-CG1 4.22Å; I742-I746 WeakPolarHBondContact O-CG1 3.11Å; I742-I746 PolarHBondContact O-N 3.46Å; I746-S748 VanDerWaalsContact C-N 3.33Å; I746-S748 PolarHBondContact O-N 2.96Å; I746-E749 PolarHBondContact O-N 3.03Å; I746-I750 HydrophobicContact CG2-CD1 3.8Å; I746-I750 WeakPolarHBondContact O-CG1 3.37Å; I746-I750 PolarHBondContact O-N 3.21Å
747N84.2Confident84.4Confident97 Ų9798.9 Ų98.952%0.51949%0.493SS..Hα-helixtrans-62.8-40.1178.3-69.8-7.6000112.1N743 Y745 E749 I750 E751N743-N747 VanDerWaalsContact O-CG 3.25Å; N743-N747 PolarHBondContact O-N 3.19Å; N743-N747 PolarHBondContact O-ND2 3.43Å; Y745-N747 PolarHBondContact O-N 3.34Å; N747-E749 VanDerWaalsContact C-N 3.34Å; N747-E749 PolarHBondContact O-N 3.08Å; N747-I750 PolarHBondContact O-N 3.34Å; N747-E751 WeakPolarHBondContact O-CG 3.5Å; N747-E751 PolarHBondContact O-N 2.87Å
748S89.2Confident84.9Confident49 Ų4998.5 Ų98.534%0.34349%0.486SS..Hα-helixtrans-67.2-31.3176.1-174.50000113.4K744 Y745 I746 K752K744-S748 WeakPolarHBondContact O-CB 3.31Å; K744-S748 PolarHBondContact O-N 3.01Å; Y745-S748 PolarHBondContact O-N 3.41Å; I746-S748 VanDerWaalsContact C-N 3.33Å; I746-S748 PolarHBondContact O-N 2.96Å; S748-K752 WeakPolarHBondContact O-CE 3.31Å; S748-K752 WeakPolarHBondContact O-CG 3.49Å; S748-K752 PolarHBondContact O-N 3.36Å; S748-K752 VanDerWaalsContact O-N 3.15Å
749E84.7Confident85.3Confident89 Ų8999.2 Ų99.242%0.41649%0.487SS..Hα-helixtrans-74.3-37.6173.9-138.664.6-137.800111.6Y745 I746 N747 E751 K752 D753Y745-E749 PolarHBondContact O-N 3.1Å; I746-E749 PolarHBondContact O-N 3.03Å; N747-E749 VanDerWaalsContact C-N 3.34Å; N747-E749 PolarHBondContact O-N 3.08Å; E749-E751 VanDerWaalsContact C-N 3.32Å; E749-E751 PolarHBondContact O-N 3.09Å; E749-K752 CarbonylContact O-C 3.59Å; E749-K752 WeakPolarHBondContact O-CA 3.3Å; E749-K752 WeakPolarHBondContact O-CB 3.5Å; E749-K752 PolarHBondContact O-N 3.08Å; E749-K752 VanDerWaalsContact O-N 3.12Å; E749-K752 WeakPolarHBondContact OE1-CE 3.38Å; E749-K752 IonicContact OE1-NZ 3.23Å; E749-K752 PolarHBondContact OE1-NZ 2.92Å; E749-K752 IonicContact OE2-NZ 2.58Å; E749-K752 PolarHBondContact OE2-NZ 2.71Å; E749-D753 PolarHBondContact O-N 3.19Å
750I85.7Confident85.8Confident100 Ų10099 Ų9951%0.51349%0.486SS..Hα-helixtrans-62.2-39.5173-68164.9000111I746 N747 D753 S754I746-I750 HydrophobicContact CG2-CD1 3.8Å; I746-I750 WeakPolarHBondContact O-CG1 3.37Å; I746-I750 PolarHBondContact O-N 3.21Å; N747-I750 PolarHBondContact O-N 3.34Å; I750-D753 PolarHBondContact O-N 2.81Å; I750-S754 WeakPolarHBondContact O-CB 3.46Å; I750-S754 PolarHBondContact O-N 3.15Å
751E86.3Confident86.1Confident129 Ų12996.9 Ų96.960%0.60348%0.482SS*.Hα-helixtrans-62.3-41.1172.4-74.1173.7173.700111.8N747 E749 S754 T755N747-E751 WeakPolarHBondContact O-CG 3.5Å; N747-E751 PolarHBondContact O-N 2.87Å; E749-E751 VanDerWaalsContact C-N 3.32Å; E749-E751 PolarHBondContact O-N 3.09Å; E751-S754 PolarHBondContact O-OG 2.87Å; E751-T755 PolarHBondContact O-N 3.47Å; E751-T755 VanDerWaalsContact O-N 3.13Å; E751-T755 PolarHBondContact O-OG1 3.47Å
752K86.6Confident86.3Confident88 Ų8896.2 Ų96.238%0.38348%0.477SS..Hα-helixtrans-64.1-48.2173.2-75.8179.8-111.9158.90112.4S748 E749 S754 T755 I756S748-K752 WeakPolarHBondContact O-CE 3.31Å; S748-K752 WeakPolarHBondContact O-CG 3.49Å; S748-K752 PolarHBondContact O-N 3.36Å; S748-K752 VanDerWaalsContact O-N 3.15Å; E749-K752 CarbonylContact O-C 3.59Å; E749-K752 WeakPolarHBondContact O-CA 3.3Å; E749-K752 WeakPolarHBondContact O-CB 3.5Å; E749-K752 PolarHBondContact O-N 3.08Å; E749-K752 VanDerWaalsContact O-N 3.12Å; E749-K752 WeakPolarHBondContact OE1-CE 3.38Å; E749-K752 IonicContact OE1-NZ 3.23Å; E749-K752 PolarHBondContact OE1-NZ 2.92Å; E749-K752 IonicContact OE2-NZ 2.58Å; E749-K752 PolarHBondContact OE2-NZ 2.71Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 3.25Å; K752-T755 WeakPolarHBondContact CA-OG1 3.39Å; K752-T755 PolarHBondContact O-N 2.93Å; K752-T755 VanDerWaalsContact O-N 3.11Å; K752-T755 PolarHBondContact O-OG1 2.89Å; K752-I756 WeakPolarHBondContact O-CB 3.11Å; K752-I756 VanDerWaalsContact O-CG1 3.27Å; K752-I756 WeakPolarHBondContact O-CG1 3.33Å; K752-I756 PolarHBondContact O-N 3.04Å
753D87.5Confident86.6Confident86 Ų8696.5 Ų96.546%0.4648%0.479SS..Hα-helixtrans-59.9-41177.7-83.3-18.9000111.6E749 I750 T755 I756 Q757E749-D753 PolarHBondContact O-N 3.19Å; I750-D753 PolarHBondContact O-N 2.81Å; D753-T755 VanDerWaalsContact C-N 3.3Å; D753-T755 PolarHBondContact O-N 3.1Å; D753-I756 PolarHBondContact O-N 3.46Å; D753-Q757 WeakPolarHBondContact O-CB 3.29Å; D753-Q757 WeakPolarHBondContact O-CG 3.39Å; D753-Q757 PolarHBondContact O-N 2.87Å
754S86.9Confident86.9Confident68 Ų6898 Ų9848%0.47648%0.483SS..Hα-helixtrans-63.4-34.6176.278.20000113.1I750 E751 K752 R758I750-S754 WeakPolarHBondContact O-CB 3.46Å; I750-S754 PolarHBondContact O-N 3.15Å; E751-S754 PolarHBondContact O-OG 2.87Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 3.25Å; S754-R758 PolarHBondContact O-N 3.38Å
755T87.7Confident87.1Confident63 Ų6395.8 Ų95.839%0.38748%0.475SS..Hα-helixtrans-81.7-32177.647.70000112.5E751 K752 D753 R758 L759E751-T755 PolarHBondContact O-N 3.47Å; E751-T755 VanDerWaalsContact O-N 3.13Å; E751-T755 PolarHBondContact O-OG1 3.47Å; K752-T755 WeakPolarHBondContact CA-OG1 3.39Å; K752-T755 PolarHBondContact O-N 2.93Å; K752-T755 VanDerWaalsContact O-N 3.11Å; K752-T755 PolarHBondContact O-OG1 2.89Å; D753-T755 VanDerWaalsContact C-N 3.3Å; D753-T755 PolarHBondContact O-N 3.1Å; T755-R758 PolarHBondContact O-N 2.98Å; T755-L759 WeakPolarHBondContact O-CB 3.43Å; T755-L759 VanDerWaalsContact O-CG 3.29Å; T755-L759 WeakPolarHBondContact O-CG 3.42Å; T755-L759 PolarHBondContact O-N 3Å
756I87.9Confident87.2Confident78 Ų7893.1 Ų93.140%0.447%0.471SS..Hα-helixtrans-63-47.4169.8-71164.8000110.2K752 D753 R758 L759 Q760K752-I756 WeakPolarHBondContact O-CB 3.11Å; K752-I756 VanDerWaalsContact O-CG1 3.27Å; K752-I756 WeakPolarHBondContact O-CG1 3.33Å; K752-I756 PolarHBondContact O-N 3.04Å; D753-I756 PolarHBondContact O-N 3.46Å; I756-R758 PolarHBondContact O-N 3.35Å; I756-L759 PolarHBondContact O-N 3.34Å; I756-Q760 HydrophobicContact CG2-CG 4.37Å; I756-Q760 WeakPolarHBondContact O-CB 3.3Å; I756-Q760 VanDerWaalsContact O-CG 3.31Å; I756-Q760 WeakPolarHBondContact O-CG 3.37Å; I756-Q760 PolarHBondContact O-N 3.1Å
757Q87.4Confident87.5Confident126 Ų12696.1 Ų96.159%0.58948%0.477SS*.Hα-helixtrans-60.2-43.1177-74.8178.910.400112D753 Q760 T761D753-Q757 WeakPolarHBondContact O-CB 3.29Å; D753-Q757 WeakPolarHBondContact O-CG 3.39Å; D753-Q757 PolarHBondContact O-N 2.87Å; Q757-Q760 WeakPolarHBondContact O-CB 3.14Å; Q757-Q760 PolarHBondContact O-N 3.26Å; Q757-T761 PolarHBondContact O-N 3.16Å; Q757-T761 PolarHBondContact O-OG1 3.16Å
758R88.9Confident87.8Confident121 Ų12196.9 Ų96.946%0.45748%0.477SS..Hα-helixtrans-59.7-49.2174.3-174.5-179.561.475.67.2111.6S754 T755 I756 Q760 T761 E762S754-R758 PolarHBondContact O-N 3.38Å; T755-R758 PolarHBondContact O-N 2.98Å; I756-R758 PolarHBondContact O-N 3.35Å; R758-Q760 VanDerWaalsContact C-N 3.29Å; R758-Q760 PolarHBondContact O-N 3.1Å; R758-T761 PolarHBondContact O-N 3.36Å; R758-T761 VanDerWaalsContact O-N 3.16Å; R758-T761 PolarHBondContact O-OG1 3.05Å; R758-E762 VanDerWaalsContact CG-OE1 3.3Å; R758-E762 WeakPolarHBondContact CG-OE1 3.21Å; R758-E762 IonicContact CZ-OE1 3.6Å; R758-E762 IonicContact CZ-OE2 2.64Å; R758-E762 IonicContact NH1-OE1 3.55Å; R758-E762 PolarHBondContact NH1-OE1 2.78Å; R758-E762 IonicContact NH1-OE2 2.71Å; R758-E762 PolarHBondContact NH1-OE2 3Å; R758-E762 WeakPolarHBondContact O-CG 3.4Å; R758-E762 PolarHBondContact O-N 3.28Å
759L86.3Confident87.8Confident87 Ų8798.8 Ų98.846%0.45548%0.481SS..Hα-helixtrans-63.8-33178.7-71.3169.5000112.7T755 I756 L763T755-L759 WeakPolarHBondContact O-CB 3.43Å; T755-L759 VanDerWaalsContact O-CG 3.29Å; T755-L759 WeakPolarHBondContact O-CG 3.42Å; T755-L759 PolarHBondContact O-N 3Å; I756-L759 PolarHBondContact O-N 3.34Å; L759-L763 WeakPolarHBondContact O-CB 3.32Å; L759-L763 VanDerWaalsContact O-CG 3.3Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.95Å
760Q88.7Confident87.8Confident102 Ų10299.4 Ų99.448%0.47749%0.486SS..Hα-helixtrans-63.5-48.7171.1-75.3169.3-1700110.9I756 Q757 R758 E762 L763 E764I756-Q760 HydrophobicContact CG2-CG 4.37Å; I756-Q760 WeakPolarHBondContact O-CB 3.3Å; I756-Q760 VanDerWaalsContact O-CG 3.31Å; I756-Q760 WeakPolarHBondContact O-CG 3.37Å; I756-Q760 PolarHBondContact O-N 3.1Å; Q757-Q760 WeakPolarHBondContact O-CB 3.14Å; Q757-Q760 PolarHBondContact O-N 3.26Å; R758-Q760 VanDerWaalsContact C-N 3.29Å; R758-Q760 PolarHBondContact O-N 3.1Å; Q760-E762 VanDerWaalsContact C-N 3.31Å; Q760-E762 PolarHBondContact O-N 2.88Å; Q760-L763 PolarHBondContact O-N 2.76Å; Q760-E764 PolarHBondContact O-N 3.35Å
761T87.4Confident88.1Confident92 Ų9299 Ų9956%0.56448%0.484SS*.Hα-helixtrans-63-34.7177.155.80000113.4Q757 R758 H765Q757-T761 PolarHBondContact O-N 3.16Å; Q757-T761 PolarHBondContact O-OG1 3.16Å; R758-T761 PolarHBondContact O-N 3.36Å; R758-T761 VanDerWaalsContact O-N 3.16Å; R758-T761 PolarHBondContact O-OG1 3.05Å; T761-H765 WeakPolarHBondContact O-CB 3.23Å; T761-H765 PolarHBondContact O-N 3.36Å
762E89Confident88.1Confident79 Ų7997.9 Ų97.937%0.36948%0.479SS..Hα-helixtrans-68.3-40.6174.7-74.1166.7-170.200111.5R758 Q760 H765 I766R758-E762 VanDerWaalsContact CG-OE1 3.3Å; R758-E762 WeakPolarHBondContact CG-OE1 3.21Å; R758-E762 IonicContact CZ-OE1 3.6Å; R758-E762 IonicContact CZ-OE2 2.64Å; R758-E762 IonicContact NH1-OE1 3.55Å; R758-E762 PolarHBondContact NH1-OE1 2.78Å; R758-E762 IonicContact NH1-OE2 2.71Å; R758-E762 PolarHBondContact NH1-OE2 3Å; R758-E762 WeakPolarHBondContact O-CG 3.4Å; R758-E762 PolarHBondContact O-N 3.28Å; Q760-E762 VanDerWaalsContact C-N 3.31Å; Q760-E762 PolarHBondContact O-N 2.88Å; E762-H765 PolarHBondContact O-N 3.42Å; E762-I766 VanDerWaalsContact O-CG1 3.3Å; E762-I766 WeakPolarHBondContact O-CG1 3.42Å; E762-I766 PolarHBondContact O-N 3.37Å
763L86.5Confident88.2Confident97 Ų9796.8 Ų96.851%0.50848%0.482SS..Hα-helixtrans-66.7-41173.7-76.6167.4000112.8L759 Q760 H765 I766 R767L759-L763 WeakPolarHBondContact O-CB 3.32Å; L759-L763 VanDerWaalsContact O-CG 3.3Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.95Å; Q760-L763 PolarHBondContact O-N 2.76Å; L763-H765 VanDerWaalsContact C-N 3.33Å; L763-H765 PolarHBondContact O-N 2.66Å; L763-I766 PolarHBondContact O-N 3.09Å; L763-R767 WeakPolarHBondContact O-CB 3.34Å; L763-R767 WeakPolarHBondContact O-CD 3.5Å; L763-R767 VanDerWaalsContact O-CG 3.22Å; L763-R767 WeakPolarHBondContact O-CG 3.48Å; L763-R767 PolarHBondContact O-N 2.88Å
764E88.8Confident88.3Confident107 Ų10798 Ų9850%0.549%0.485SS..Hα-helixtrans-61.5-41.7174.8-119.870.9-92.600111.3Q760 R767 H768Q760-E764 PolarHBondContact O-N 3.35Å; E764-R767 PolarHBondContact O-N 2.89Å; E764-R767 IonicContact OE1-CZ 3.79Å; E764-R767 IonicContact OE1-NH1 3.69Å; E764-R767 PolarHBondContact OE1-NH1 2.83Å; E764-H768 PolarHBondContact O-N 3.29Å
765H89Confident88.4Confident113 Ų11398.5 Ų98.552%0.52349%0.486SS..Hα-helixtrans-66.6-44.8178.2-170.953.9000112.3T761 E762 L763 R767 H768 Q769T761-H765 WeakPolarHBondContact O-CB 3.23Å; T761-H765 PolarHBondContact O-N 3.36Å; E762-H765 PolarHBondContact O-N 3.42Å; L763-H765 VanDerWaalsContact C-N 3.33Å; L763-H765 PolarHBondContact O-N 2.66Å; H765-R767 VanDerWaalsContact C-N 3.33Å; H765-R767 PolarHBondContact O-N 2.89Å; H765-H768 PolarHBondContact O-N 3.49Å; H765-H768 VanDerWaalsContact O-N 3.16Å; H765-Q769 PolarHBondContact CD2-NE2 3.1Å; H765-Q769 PolarHBondContact NE2-NE2 2.8Å; H765-Q769 PolarHBondContact O-N 3.44Å
766I88.2Confident88.5Confident104 Ų104102.1 Ų102.153%0.53350%0.498SS..Hα-helixtrans-63.7-38.6176.4-68.4166.4000111.1E762 L763 H768 Q769 L770E762-I766 VanDerWaalsContact O-CG1 3.3Å; E762-I766 WeakPolarHBondContact O-CG1 3.42Å; E762-I766 PolarHBondContact O-N 3.37Å; L763-I766 PolarHBondContact O-N 3.09Å; I766-H768 VanDerWaalsContact C-N 3.32Å; I766-H768 PolarHBondContact O-N 2.94Å; I766-Q769 PolarHBondContact O-N 2.74Å; I766-L770 WeakPolarHBondContact O-CB 3.47Å; I766-L770 PolarHBondContact O-N 2.93Å
767R90.8Very high88.4Confident143 Ų143104.4 Ų104.454%0.5451%0.511SS..Hα-helixtrans-60.3-40.8172.5-77166.1171.1173.4-3.5112.1L763 E764 H765 L770 I771L763-R767 WeakPolarHBondContact O-CB 3.34Å; L763-R767 WeakPolarHBondContact O-CD 3.5Å; L763-R767 VanDerWaalsContact O-CG 3.22Å; L763-R767 WeakPolarHBondContact O-CG 3.48Å; L763-R767 PolarHBondContact O-N 2.88Å; E764-R767 PolarHBondContact O-N 2.89Å; E764-R767 IonicContact OE1-CZ 3.79Å; E764-R767 IonicContact OE1-NH1 3.69Å; E764-R767 PolarHBondContact OE1-NH1 2.83Å; H765-R767 VanDerWaalsContact C-N 3.33Å; H765-R767 PolarHBondContact O-N 2.89Å; R767-L770 PolarHBondContact O-N 2.8Å; R767-I771 WeakPolarHBondContact O-CG1 3.36Å; R767-I771 PolarHBondContact O-N 3.07Å; R767-I771 VanDerWaalsContact O-N 3.09Å
768H89.6Confident88.5Confident113 Ų113105.2 Ų105.252%0.52351%0.514SS..Hα-helixtrans-66.7-46.8179-153.146.3000111.4E764 H765 I766 L770 I771 E772E764-H768 PolarHBondContact O-N 3.29Å; H765-H768 PolarHBondContact O-N 3.49Å; H765-H768 VanDerWaalsContact O-N 3.16Å; I766-H768 VanDerWaalsContact C-N 3.32Å; I766-H768 PolarHBondContact O-N 2.94Å; H768-L770 VanDerWaalsContact C-N 3.27Å; H768-L770 PolarHBondContact O-N 3.47Å; H768-I771 PolarHBondContact O-N 2.71Å; H768-I771 VanDerWaalsContact O-N 3.14Å; H768-E772 WeakPolarHBondContact O-CG 3.31Å; H768-E772 PolarHBondContact O-N 3.19Å
769Q89.4Confident88.5Confident90 Ų90102.5 Ų102.542%0.42151%0.514SS..Hα-helixtrans-58.9-36.1174.7-68.4-178.92.100112.9H765 I766 S773H765-Q769 PolarHBondContact CD2-NE2 3.1Å; H765-Q769 PolarHBondContact NE2-NE2 2.8Å; H765-Q769 PolarHBondContact O-N 3.44Å; I766-Q769 PolarHBondContact O-N 2.74Å; Q769-S773 WeakPolarHBondContact O-CB 3.39Å; Q769-S773 PolarHBondContact O-N 2.95Å; Q769-S773 PolarHBondContact O-OG 3.23Å
770L85.8Confident88.6Confident101 Ų101103.8 Ų103.853%0.52952%0.516SS..Hα-helixtrans-64.7-47.4175.3-171.373.3000111.1I766 R767 H768 S773 E774I766-L770 WeakPolarHBondContact O-CB 3.47Å; I766-L770 PolarHBondContact O-N 2.93Å; R767-L770 PolarHBondContact O-N 2.8Å; H768-L770 VanDerWaalsContact C-N 3.27Å; H768-L770 PolarHBondContact O-N 3.47Å; L770-S773 WeakPolarHBondContact O-CB 3.46Å; L770-S773 PolarHBondContact O-N 2.87Å; L770-E774 WeakPolarHBondContact O-CG 3.36Å; L770-E774 PolarHBondContact O-N 3.38Å
771I90.6Very high88.6Confident93 Ų93101.5 Ų101.548%0.47751%0.511SS..Hα-helixtrans-63.3-43.7178.3-67.7164.2000110.9R767 H768 S773 E774 T775R767-I771 WeakPolarHBondContact O-CG1 3.36Å; R767-I771 PolarHBondContact O-N 3.07Å; R767-I771 VanDerWaalsContact O-N 3.09Å; H768-I771 PolarHBondContact O-N 2.71Å; H768-I771 VanDerWaalsContact O-N 3.14Å; I771-S773 PolarHBondContact O-N 3.22Å; I771-E774 PolarHBondContact O-N 3.38Å; I771-T775 WeakPolarHBondContact O-CG2 3.42Å; I771-T775 PolarHBondContact O-N 2.86Å; I771-T775 PolarHBondContact O-OG1 2.96Å
772E88.1Confident88.7Confident104 Ų104100.5 Ų100.549%0.48651%0.508SS..Hα-helixtrans-56.3-50173.7-71.1176.1145.100110.6H768 E774 T775 E776H768-E772 WeakPolarHBondContact O-CG 3.31Å; H768-E772 PolarHBondContact O-N 3.19Å; E772-E774 PolarHBondContact O-N 3.35Å; E772-T775 PolarHBondContact O-N 3.25Å; E772-T775 PolarHBondContact O-OG1 2.9Å; E772-E776 PolarHBondContact O-N 2.96Å
773S87.8Confident88.7Confident65 Ų65101.2 Ų101.246%0.45551%0.511SS..Hα-helixtrans-60.7-39.8177.9-57.30000113.3Q769 L770 I771 L777Q769-S773 WeakPolarHBondContact O-CB 3.39Å; Q769-S773 PolarHBondContact O-N 2.95Å; Q769-S773 PolarHBondContact O-OG 3.23Å; L770-S773 WeakPolarHBondContact O-CB 3.46Å; L770-S773 PolarHBondContact O-N 2.87Å; I771-S773 PolarHBondContact O-N 3.22Å; S773-L777 WeakPolarHBondContact O-CB 3.37Å; S773-L777 PolarHBondContact O-N 2.77Å
774E89.8Confident88.9Confident113 Ų113102 Ų10253%0.52852%0.515SS..Hα-helixtrans-66.1-40.8175.6-75.9179.5164.700111.6L770 I771 E772 L777 Q778L770-E774 WeakPolarHBondContact O-CG 3.36Å; L770-E774 PolarHBondContact O-N 3.38Å; I771-E774 PolarHBondContact O-N 3.38Å; E772-E774 PolarHBondContact O-N 3.35Å; E774-L777 PolarHBondContact O-N 3.32Å; E774-Q778 WeakPolarHBondContact O-CB 3.26Å; E774-Q778 PolarHBondContact O-N 3.14Å
775T88.7Confident88.9Confident78 Ų78103.5 Ų103.548%0.47952%0.52SS..Hα-helixtrans-68.7-37.4176.560.80000112.9I771 E772 Q778 S779I771-T775 WeakPolarHBondContact O-CG2 3.42Å; I771-T775 PolarHBondContact O-N 2.86Å; I771-T775 PolarHBondContact O-OG1 2.96Å; E772-T775 PolarHBondContact O-N 3.25Å; E772-T775 PolarHBondContact O-OG1 2.9Å; T775-Q778 PolarHBondContact O-N 3.2Å; T775-S779 WeakPolarHBondContact O-CB 3.38Å; T775-S779 PolarHBondContact O-N 3.49Å
776E89Confident88.9Confident139 Ų139100.7 Ų100.765%0.6551%0.513SS*.Hα-helixtrans-63.8-45.3171-74.1-148.4135.200111.5E772 Q778 S779 K780E772-E776 PolarHBondContact O-N 2.96Å; E776-Q778 VanDerWaalsContact C-N 3.33Å; E776-Q778 PolarHBondContact O-N 3.46Å; E776-S779 WeakPolarHBondContact O-CB 3.42Å; E776-S779 PolarHBondContact O-N 3.17Å; E776-K780 WeakPolarHBondContact O-CG 3.38Å; E776-K780 PolarHBondContact O-N 3.35Å
777L86.8Confident89Confident126 Ų126100.3 Ų100.366%0.6651%0.511SS*.Hα-helixtrans-60.1-41175.4-87.9167.1000112.2S773 E774 K780 S781S773-L777 WeakPolarHBondContact O-CB 3.37Å; S773-L777 PolarHBondContact O-N 2.77Å; E774-L777 PolarHBondContact O-N 3.32Å; L777-K780 PolarHBondContact O-N 3.05Å; L777-S781 VanDerWaalsContact O-CB 3.22Å; L777-S781 WeakPolarHBondContact O-CB 3.48Å; L777-S781 PolarHBondContact O-N 3.38Å
778Q89.1Confident88.9Confident143 Ų14395.9 Ų95.967%0.66851%0.505SS*.Hα-helixtrans-67.1-39.8177.3-165.6174.51700111.6E774 T775 E776 S781 S782E774-Q778 WeakPolarHBondContact O-CB 3.26Å; E774-Q778 PolarHBondContact O-N 3.14Å; T775-Q778 PolarHBondContact O-N 3.2Å; E776-Q778 VanDerWaalsContact C-N 3.33Å; E776-Q778 PolarHBondContact O-N 3.46Å; Q778-S781 PolarHBondContact O-N 2.97Å; Q778-S782 PolarHBondContact O-N 3.18Å
779S89.2Confident88.9Confident64 Ų6495 Ų9545%0.44851%0.51SS..Hα-helixtrans-62.6-46172.5-178.20000112.1T775 E776 S781 S782 Q783T775-S779 WeakPolarHBondContact O-CB 3.38Å; T775-S779 PolarHBondContact O-N 3.49Å; E776-S779 WeakPolarHBondContact O-CB 3.42Å; E776-S779 PolarHBondContact O-N 3.17Å; S779-S781 PolarHBondContact O-N 3.42Å; S779-S782 PolarHBondContact O-N 3.49Å; S779-S782 PolarHBondContact O-OG 3.39Å; S779-Q783 WeakPolarHBondContact O-CB 3.47Å; S779-Q783 PolarHBondContact O-N 3.04Å
780K87.8Confident88.9Confident113 Ų11395.8 Ų95.849%0.49151%0.514SS..Hα-helixtrans-67.9-35.5177.2-64.7-65.3163.3-1650112.2E776 L777 Q783 I784E776-K780 WeakPolarHBondContact O-CG 3.38Å; E776-K780 PolarHBondContact O-N 3.35Å; L777-K780 PolarHBondContact O-N 3.05Å; K780-Q783 PolarHBondContact O-N 3Å; K780-I784 WeakPolarHBondContact O-CB 3.47Å; K780-I784 WeakPolarHBondContact O-CD1 3.21Å; K780-I784 VanDerWaalsContact O-CG1 3.24Å; K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 3.23Å
781S90.2Very high88.9Confident54 Ų5495.9 Ų95.938%0.37852%0.515SS..Hα-helixtrans-62.4-40.1172.6-172.70000112.3L777 Q778 S779 K785L777-S781 VanDerWaalsContact O-CB 3.22Å; L777-S781 WeakPolarHBondContact O-CB 3.48Å; L777-S781 PolarHBondContact O-N 3.38Å; Q778-S781 PolarHBondContact O-N 2.97Å; S779-S781 PolarHBondContact O-N 3.42Å; S781-K785 VanDerWaalsContact O-CG 3.31Å; S781-K785 WeakPolarHBondContact O-CG 3.31Å; S781-K785 PolarHBondContact O-N 3.15Å
782S89Confident88.9Confident72 Ų7296.6 Ų96.650%0.50352%0.516SS..Hα-helixtrans-70.6-39.1174.8710000112.5Q778 S779 K785 S786Q778-S782 PolarHBondContact O-N 3.18Å; S779-S782 PolarHBondContact O-N 3.49Å; S779-S782 PolarHBondContact O-OG 3.39Å; S782-K785 PolarHBondContact O-N 3.19Å; S782-S786 PolarHBondContact O-N 3.11Å; S782-S786 VanDerWaalsContact O-N 3.07Å
783Q89.5Confident88.9Confident93 Ų9394 Ų9444%0.43551%0.513SS..Hα-helixtrans-63.4-41.3175.6-170.2171.423.200112.3S779 K780 K785 S786 L787S779-Q783 WeakPolarHBondContact O-CB 3.47Å; S779-Q783 PolarHBondContact O-N 3.04Å; K780-Q783 PolarHBondContact O-N 3Å; Q783-K785 VanDerWaalsContact C-N 3.29Å; Q783-K785 PolarHBondContact O-N 3.46Å; Q783-S786 PolarHBondContact O-N 3.37Å; Q783-L787 HydrophobicContact CG-CD1 4.26Å; Q783-L787 WeakPolarHBondContact O-CG 3.35Å; Q783-L787 PolarHBondContact O-N 3.28Å; Q783-L787 VanDerWaalsContact O-N 3.13Å
784I89.1Confident88.8Confident115 Ų11593.5 Ų93.559%0.5951%0.512SS*.Hα-helixtrans-63.5-36.3174.4-71.3164.6000111.1K780 A788K780-I784 WeakPolarHBondContact O-CB 3.47Å; K780-I784 WeakPolarHBondContact O-CD1 3.21Å; K780-I784 VanDerWaalsContact O-CG1 3.24Å; K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 3.23Å; I784-A788 VanDerWaalsContact O-CB 3.31Å; I784-A788 WeakPolarHBondContact O-CB 3.2Å; I784-A788 PolarHBondContact O-N 2.82Å
785K89.8Confident88.8Confident138 Ų13892.6 Ų92.660%0.651%0.506SS*.Hα-helixtrans-68.8-40.5177.3-72.4173.4-172.5-177.10112.8S781 S782 Q783 A788 C789S781-K785 VanDerWaalsContact O-CG 3.31Å; S781-K785 WeakPolarHBondContact O-CG 3.31Å; S781-K785 PolarHBondContact O-N 3.15Å; S782-K785 PolarHBondContact O-N 3.19Å; Q783-K785 VanDerWaalsContact C-N 3.29Å; Q783-K785 PolarHBondContact O-N 3.46Å; K785-A788 PolarHBondContact O-N 3.48Å; K785-C789 PolarHBondContact O-N 2.86Å; K785-C789 VanDerWaalsContact O-N 3.09Å; K785-C789 PolarHBondContact O-SG 2.88Å; K785-C789 VanDerWaalsContact O-SG 3.42Å
786S89.5Confident88.9Confident54 Ų5491.3 Ų91.338%0.37850%0.504SS..Hα-helixtrans-64.7-48.3175.497.10000110.6S782 Q783 A788 C789 E790S782-S786 PolarHBondContact O-N 3.11Å; S782-S786 VanDerWaalsContact O-N 3.07Å; Q783-S786 PolarHBondContact O-N 3.37Å; S786-A788 VanDerWaalsContact C-N 3.25Å; S786-A788 PolarHBondContact O-N 3.21Å; S786-C789 CarbonylContact O-C 3.53Å; S786-C789 WeakPolarHBondContact O-CA 3.4Å; S786-C789 WeakPolarHBondContact O-CB 3.38Å; S786-C789 PolarHBondContact O-N 2.87Å; S786-E790 VanDerWaalsContact CB-OE1 3.24Å; S786-E790 WeakPolarHBondContact CB-OE1 3.39Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.3Å; S786-E790 WeakPolarHBondContact O-CG 3.36Å; S786-E790 PolarHBondContact O-N 3.1Å; S786-E790 PolarHBondContact OG-OE1 3.3Å
787L88.7Confident88.9Confident95 Ų9589.7 Ų89.750%0.49750%0.499SS..Hα-helixtrans-60.1-33177.8-69.2171.5000112.9Q783 L791Q783-L787 HydrophobicContact CG-CD1 4.26Å; Q783-L787 WeakPolarHBondContact O-CG 3.35Å; Q783-L787 PolarHBondContact O-N 3.28Å; Q783-L787 VanDerWaalsContact O-N 3.13Å; L787-L791 WeakPolarHBondContact O-CB 3.29Å; L787-L791 PolarHBondContact O-N 2.88Å
788A88.4Confident88.9Confident51 Ų5188.8 Ų88.842%0.42150%0.495SS..Hα-helixtrans-69-41.3172.900000112.4I784 K785 S786 E792I784-A788 VanDerWaalsContact O-CB 3.31Å; I784-A788 WeakPolarHBondContact O-CB 3.2Å; I784-A788 PolarHBondContact O-N 2.82Å; K785-A788 PolarHBondContact O-N 3.48Å; S786-A788 VanDerWaalsContact C-N 3.25Å; S786-A788 PolarHBondContact O-N 3.21Å; A788-E792 PolarHBondContact O-N 2.95Å
789C90.4Very high89Confident93 Ų9384.4 Ų84.463%0.62848%0.483SS*.Hα-helixtrans-66.7-41.6174.2-69.30000112.3K785 S786 E792 A793K785-C789 PolarHBondContact O-N 2.86Å; K785-C789 VanDerWaalsContact O-N 3.09Å; K785-C789 PolarHBondContact O-SG 2.88Å; K785-C789 VanDerWaalsContact O-SG 3.42Å; S786-C789 CarbonylContact O-C 3.53Å; S786-C789 WeakPolarHBondContact O-CA 3.4Å; S786-C789 WeakPolarHBondContact O-CB 3.38Å; S786-C789 PolarHBondContact O-N 2.87Å; C789-E792 PolarHBondContact O-N 3.08Å; C789-A793 WeakPolarHBondContact O-CB 3.43Å; C789-A793 PolarHBondContact O-N 2.99Å
790E88.6Confident89Confident108 Ų10886.3 Ų86.351%0.50549%0.488SS..Hα-helixtrans-62.8-41.4175.5-69.1160.2-129.300111.3S786 A794S786-E790 VanDerWaalsContact CB-OE1 3.24Å; S786-E790 WeakPolarHBondContact CB-OE1 3.39Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.3Å; S786-E790 WeakPolarHBondContact O-CG 3.36Å; S786-E790 PolarHBondContact O-N 3.1Å; S786-E790 PolarHBondContact OG-OE1 3.3Å; E790-A794 WeakPolarHBondContact O-CB 3.39Å; E790-A794 PolarHBondContact O-N 3.48Å
791L87.8Confident89Confident103 Ų10384.9 Ų84.954%0.53949%0.491SS..Hα-helixtrans-64.1-41174.7-178.168.1000112.4L787 K795L787-L791 WeakPolarHBondContact O-CB 3.29Å; L787-L791 PolarHBondContact O-N 2.88Å; L791-K795 WeakPolarHBondContact O-CG 3.5Å; L791-K795 PolarHBondContact O-N 3Å; L791-K795 VanDerWaalsContact O-N 3.07Å
792E88.9Confident88.9Confident108 Ų10884.9 Ų84.951%0.50549%0.487SS..Hα-helixtrans-73.9-35-180-140.564.7-146.700112.4A788 C789 K795 A796A788-E792 PolarHBondContact O-N 2.95Å; C789-E792 PolarHBondContact O-N 3.08Å; E792-K795 PolarHBondContact O-N 3.25Å; E792-K795 WeakPolarHBondContact OE1-CD 3.48Å; E792-K795 IonicContact OE1-NZ 3.9Å; E792-K795 PolarHBondContact OE1-NZ 3.18Å; E792-K795 IonicContact OE2-NZ 2.92Å; E792-K795 PolarHBondContact OE2-NZ 3.38Å; E792-A796 PolarHBondContact O-N 3.4Å; E792-A796 VanDerWaalsContact O-N 3.08Å
793A88.7Confident88.9Confident50 Ų5087 Ų8741%0.41349%0.492SS..Hα-helixtrans-60.4-50169.200000111.1C789 K795 A796 D797C789-A793 WeakPolarHBondContact O-CB 3.43Å; C789-A793 PolarHBondContact O-N 2.99Å; A793-K795 PolarHBondContact O-N 2.83Å; A793-A796 WeakPolarHBondContact O-CA 3.49Å; A793-A796 WeakPolarHBondContact O-CB 3.45Å; A793-A796 PolarHBondContact O-N 2.96Å; A793-D797 PolarHBondContact O-N 2.85Å
794A86.8Confident88.8Confident53 Ų5388.3 Ų88.344%0.43850%0.498SS..Hα-helixtrans-61.7-28.7178.300000113.5E790 L798E790-A794 WeakPolarHBondContact O-CB 3.39Å; E790-A794 PolarHBondContact O-N 3.48Å; A794-L798 WeakPolarHBondContact O-CB 3.34Å; A794-L798 PolarHBondContact O-N 2.62Å
795K89.7Confident88.8Confident94 Ų9489.4 Ų89.441%0.40950%0.495SS..Hα-helixtrans-71.1-39.2170.5-73.6168-175.7167.50112.7L791 E792 A793 L798 A799L791-K795 WeakPolarHBondContact O-CG 3.5Å; L791-K795 PolarHBondContact O-N 3Å; L791-K795 VanDerWaalsContact O-N 3.07Å; E792-K795 PolarHBondContact O-N 3.25Å; E792-K795 WeakPolarHBondContact OE1-CD 3.48Å; E792-K795 IonicContact OE1-NZ 3.9Å; E792-K795 PolarHBondContact OE1-NZ 3.18Å; E792-K795 IonicContact OE2-NZ 2.92Å; E792-K795 PolarHBondContact OE2-NZ 3.38Å; A793-K795 PolarHBondContact O-N 2.83Å; K795-L798 PolarHBondContact O-N 2.89Å; K795-A799 WeakPolarHBondContact O-CB 3.44Å; K795-A799 PolarHBondContact O-N 3.28Å
796A89.4Confident88.8Confident51 Ų5186.8 Ų86.842%0.42149%0.488SS..Hα-helixtrans-64.2-49.317600000110.4E792 A793 L798 A799 D800E792-A796 PolarHBondContact O-N 3.4Å; E792-A796 VanDerWaalsContact O-N 3.08Å; A793-A796 WeakPolarHBondContact O-CA 3.49Å; A793-A796 WeakPolarHBondContact O-CB 3.45Å; A793-A796 PolarHBondContact O-N 2.96Å; A796-L798 VanDerWaalsContact C-N 3.27Å; A796-L798 PolarHBondContact O-N 2.67Å; A796-A799 WeakPolarHBondContact O-CB 3.29Å; A796-A799 PolarHBondContact O-N 3.34Å; A796-D800 PolarHBondContact O-N 2.85Å
797D89.4Confident88.7Confident105 Ų10587.2 Ų87.256%0.56149%0.491SS*.Hα-helixtrans-56.2-41.9174.6-63.9-25.1000111.5A793 C801A793-D797 PolarHBondContact O-N 2.85Å; D797-C801 VanDerWaalsContact O-CB 3.26Å; D797-C801 WeakPolarHBondContact O-CB 3.19Å; D797-C801 PolarHBondContact O-N 3.02Å; D797-C801 PolarHBondContact O-SG 2.82Å
798L87.8Confident88.6Confident108 Ų10888.3 Ų88.357%0.56549%0.493SS*.Hα-helixtrans-66.1-36.1175.9-176.168000112.6A794 K795 A796 N802A794-L798 WeakPolarHBondContact O-CB 3.34Å; A794-L798 PolarHBondContact O-N 2.62Å; K795-L798 PolarHBondContact O-N 2.89Å; A796-L798 VanDerWaalsContact C-N 3.27Å; A796-L798 PolarHBondContact O-N 2.67Å; L798-N802 WeakPolarHBondContact O-CB 3.46Å; L798-N802 PolarHBondContact O-N 2.68Å; L798-N802 PolarHBondContact O-ND2 3.23Å
799A89.3Confident88.5Confident50 Ų5089.2 Ų89.241%0.41349%0.491SS..Hα-helixtrans-67.3-47.3176.400000110.9K795 A796 N802 L803K795-A799 WeakPolarHBondContact O-CB 3.44Å; K795-A799 PolarHBondContact O-N 3.28Å; A796-A799 WeakPolarHBondContact O-CB 3.29Å; A796-A799 PolarHBondContact O-N 3.34Å; A799-N802 WeakPolarHBondContact O-CB 3.31Å; A799-N802 PolarHBondContact O-N 3.05Å; A799-N802 VanDerWaalsContact O-N 3.1Å; A799-L803 PolarHBondContact O-N 2.82Å
800D89.7Confident88.5Confident104 Ų10489.8 Ų89.856%0.55649%0.487SS*.Hα-helixtrans-66.1-40.3178.2-75.7-10.8000111.8A796 N802 L803 H804A796-D800 PolarHBondContact O-N 2.85Å; D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.94Å; D800-L803 PolarHBondContact O-N 2.68Å; D800-H804 WeakPolarHBondContact O-CB 3.35Å; D800-H804 PolarHBondContact O-N 3.33Å
801C88.2Confident88.4Confident83 Ų8386.7 Ų86.756%0.56148%0.48SS*.Hα-helixtrans-59.7-35.7171-72.70000112.4D797 R805D797-C801 VanDerWaalsContact O-CB 3.26Å; D797-C801 WeakPolarHBondContact O-CB 3.19Å; D797-C801 PolarHBondContact O-N 3.02Å; D797-C801 PolarHBondContact O-SG 2.82Å; C801-R805 WeakPolarHBondContact O-CB 3.31Å; C801-R805 PolarHBondContact O-N 3.24Å
802N88.4Confident88.5Confident54 Ų5489.3 Ų89.329%0.28948%0.483SS..Hα-helixtrans-72.4-38.8175.4-86.6-70.6000112.7L798 A799 D800 R805 N806L798-N802 WeakPolarHBondContact O-CB 3.46Å; L798-N802 PolarHBondContact O-N 2.68Å; L798-N802 PolarHBondContact O-ND2 3.23Å; A799-N802 WeakPolarHBondContact O-CB 3.31Å; A799-N802 PolarHBondContact O-N 3.05Å; A799-N802 VanDerWaalsContact O-N 3.1Å; D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.94Å; N802-R805 PolarHBondContact OD1-NH2 2.79Å; N802-N806 WeakPolarHBondContact O-CB 3.36Å; N802-N806 PolarHBondContact O-N 3.47Å; N802-N806 PolarHBondContact O-ND2 3.21Å
803L88.5Confident88.5Confident117 Ų11790.6 Ų90.661%0.61349%0.486SS*.Hα-helixtrans-63.3-45.8173-70.6173000111.2A799 D800 N806 S807A799-L803 PolarHBondContact O-N 2.82Å; D800-L803 PolarHBondContact O-N 2.68Å; L803-N806 PolarHBondContact O-N 3.39Å; L803-S807 PolarHBondContact O-N 2.82Å
804H88.3Confident88.5Confident120 Ų12096.3 Ų96.356%0.55650%0.498SS*.Hα-helixtrans-61.2-50.4177.1-163.575000111.3D800 N806 S807 E808D800-H804 WeakPolarHBondContact O-CB 3.35Å; D800-H804 PolarHBondContact O-N 3.33Å; H804-N806 VanDerWaalsContact C-N 3.25Å; H804-N806 PolarHBondContact O-N 3.02Å; H804-S807 PolarHBondContact O-N 2.95Å; H804-S807 PolarHBondContact O-OG 2.86Å; H804-E808 PolarHBondContact O-N 2.92Å
805R88.6Confident88.5Confident138 Ų13898.5 Ų98.552%0.52150%0.501SS..Hα-helixtrans-57.2-35.3174.8-176.4176.568.4128-2.2112.9C801 N802 N809C801-R805 WeakPolarHBondContact O-CB 3.31Å; C801-R805 PolarHBondContact O-N 3.24Å; N802-R805 PolarHBondContact OD1-NH2 2.79Å; R805-N809 WeakPolarHBondContact O-CB 3.38Å; R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.37Å; R805-N809 PolarHBondContact O-ND2 3.23Å
806N88.8Confident88.4Confident84 Ų8499.3 Ų99.345%0.44951%0.506SS..Hα-helixtrans-71.8-38.6175.9-74.1-20.1000112N802 L803 H804 N809 L810N802-N806 WeakPolarHBondContact O-CB 3.36Å; N802-N806 PolarHBondContact O-N 3.47Å; N802-N806 PolarHBondContact O-ND2 3.21Å; L803-N806 PolarHBondContact O-N 3.39Å; H804-N806 VanDerWaalsContact C-N 3.25Å; H804-N806 PolarHBondContact O-N 3.02Å; N806-N809 PolarHBondContact O-N 3.42Å; N806-L810 WeakPolarHBondContact O-CG 3.46Å; N806-L810 PolarHBondContact O-N 2.78Å; N806-L810 VanDerWaalsContact O-N 3.1Å
807S89.3Confident88.3Confident63 Ų63102.2 Ų102.244%0.44151%0.514SS..Hα-helixtrans-66.8-40.9173.573.30000112.4L803 H804 L810 A811L803-S807 PolarHBondContact O-N 2.82Å; H804-S807 PolarHBondContact O-N 2.95Å; H804-S807 PolarHBondContact O-OG 2.86Å; S807-L810 CarbonylContact O-C 3.52Å; S807-L810 PolarHBondContact O-N 2.81Å; S807-A811 PolarHBondContact O-N 3.44Å
808E85.7Confident88.3Confident117 Ų117101.6 Ų101.655%0.54751%0.508SS..Hα-helixtrans-61-43.2172.2-76.7-159.712100112H804 L810 A811 R812H804-E808 PolarHBondContact O-N 2.92Å; E808-L810 VanDerWaalsContact C-N 3.28Å; E808-L810 PolarHBondContact O-N 2.94Å; E808-A811 PolarHBondContact O-N 2.84Å; E808-A811 VanDerWaalsContact O-N 3.15Å; E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 PolarHBondContact O-N 3.39Å
809N86.7Confident88.2Confident71 Ų7199 Ų9938%0.3850%0.496SS..Hα-helixtrans-62.9-34.1176.3-80.7-48.7000112.4R805 N806 K813R805-N809 WeakPolarHBondContact O-CB 3.38Å; R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.37Å; R805-N809 PolarHBondContact O-ND2 3.23Å; N806-N809 PolarHBondContact O-N 3.42Å; N809-K813 WeakPolarHBondContact O-CB 3.41Å; N809-K813 WeakPolarHBondContact O-CG 3.32Å; N809-K813 PolarHBondContact O-N 2.89Å
810L89.4Confident88.2Confident105 Ų10598.7 Ų98.755%0.5549%0.494SS..Hα-helixtrans-78.2-23.1174.3-69.5171.6000113.4N806 S807 E808 R814N806-L810 WeakPolarHBondContact O-CG 3.46Å; N806-L810 PolarHBondContact O-N 2.78Å; N806-L810 VanDerWaalsContact O-N 3.1Å; S807-L810 CarbonylContact O-C 3.52Å; S807-L810 PolarHBondContact O-N 2.81Å; E808-L810 VanDerWaalsContact C-N 3.28Å; E808-L810 PolarHBondContact O-N 2.94Å; L810-R814 PolarHBondContact O-NE 2.76Å
811A87.9Confident88.2Confident43 Ų4398.4 Ų98.436%0.35549%0.492SS..Hα-helixtrans-75.8-49.5169.500000110.6S807 E808 K813 R814 I815S807-A811 PolarHBondContact O-N 3.44Å; E808-A811 PolarHBondContact O-N 2.84Å; E808-A811 VanDerWaalsContact O-N 3.15Å; A811-K813 PolarHBondContact O-N 2.77Å; A811-R814 PolarHBondContact O-N 3Å; A811-I815 WeakPolarHBondContact O-CG1 3.44Å; A811-I815 PolarHBondContact O-N 2.95Å
812R88.6Confident88.2Confident158 Ų15899.3 Ų99.360%0.59649%0.491SS*.Hα-helixtrans-53.6-48.7174.7173.4174.1-73.2176.80.2111.5E808 R814 I815 E816E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 PolarHBondContact O-N 3.39Å; R812-R814 VanDerWaalsContact C-N 3.28Å; R812-R814 PolarHBondContact O-N 3.43Å; R812-I815 CarbonylContact O-C 3.53Å; R812-I815 PolarHBondContact O-N 3.44Å; R812-I815 VanDerWaalsContact O-N 3.15Å; R812-E816 VanDerWaalsContact CD-OE1 3.31Å; R812-E816 WeakPolarHBondContact CD-OE1 3.44Å; R812-E816 HydrophobicContact CG-CG 4.11Å; R812-E816 WeakPolarHBondContact CG-OE1 3.26Å; R812-E816 WeakPolarHBondContact O-CB 3.44Å; R812-E816 VanDerWaalsContact O-CG 3.31Å; R812-E816 WeakPolarHBondContact O-CG 3.36Å; R812-E816 PolarHBondContact O-N 2.95Å
813K89.6Confident88.3Confident134 Ų134104.7 Ų104.758%0.58351%0.507SS*.Hα-helixtrans-60.7-33.6177.6-79.5-177.8174.9-1720114N809 A811 L817N809-K813 WeakPolarHBondContact O-CB 3.41Å; N809-K813 WeakPolarHBondContact O-CG 3.32Å; N809-K813 PolarHBondContact O-N 2.89Å; A811-K813 PolarHBondContact O-N 2.77Å; K813-L817 WeakPolarHBondContact O-CG 3.41Å; K813-L817 PolarHBondContact O-N 3.43Å
814R89Confident88.2Confident171 Ų171106 Ų10665%0.64551%0.51SS*.Hα-helixtrans-71.5-40.9174.4-83.2-179.8-80-167.8-0.6111.7L810 A811 R812 E816 L817 E818L810-R814 PolarHBondContact O-NE 2.76Å; A811-R814 PolarHBondContact O-N 3Å; R812-R814 VanDerWaalsContact C-N 3.28Å; R812-R814 PolarHBondContact O-N 3.43Å; R814-E816 VanDerWaalsContact C-N 3.34Å; R814-L817 PolarHBondContact O-N 3.31Å; R814-E818 WeakPolarHBondContact O-CB 3.45Å; R814-E818 PolarHBondContact O-N 3Å
815I87Confident88.2Confident99 Ų99105.2 Ų105.251%0.50851%0.508SS..Hα-helixtrans-66.2-36.2174-63.6165.3000111.1A811 R812 L817 E818 V819A811-I815 WeakPolarHBondContact O-CG1 3.44Å; A811-I815 PolarHBondContact O-N 2.95Å; R812-I815 CarbonylContact O-C 3.53Å; R812-I815 PolarHBondContact O-N 3.44Å; R812-I815 VanDerWaalsContact O-N 3.15Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.32Å; I815-E818 PolarHBondContact O-N 3.36Å; I815-V819 HydrophobicContact CG2-CG2 4.17Å; I815-V819 WeakPolarHBondContact O-CB 3.46Å; I815-V819 WeakPolarHBondContact O-CG2 3.25Å; I815-V819 PolarHBondContact O-N 3.46Å
816E86.8Confident88.1Confident111 Ų111105.6 Ų105.652%0.51951%0.513SS..Hα-helixtrans-64.8-35.3175.8-76.6167.4171.500112.4R812 R814 A820R812-E816 VanDerWaalsContact CD-OE1 3.31Å; R812-E816 WeakPolarHBondContact CD-OE1 3.44Å; R812-E816 HydrophobicContact CG-CG 4.11Å; R812-E816 WeakPolarHBondContact CG-OE1 3.26Å; R812-E816 WeakPolarHBondContact O-CB 3.44Å; R812-E816 VanDerWaalsContact O-CG 3.31Å; R812-E816 WeakPolarHBondContact O-CG 3.36Å; R812-E816 PolarHBondContact O-N 2.95Å; R814-E816 VanDerWaalsContact C-N 3.34Å; E816-A820 PolarHBondContact O-N 3.16Å
817L88.5Confident88.1Confident111 Ų111107.6 Ų107.658%0.58152%0.521SS*.Hα-helixtrans-72.8-50.8171.4-70168.7000111.7K813 R814 I815 V819 A820 D821K813-L817 WeakPolarHBondContact O-CG 3.41Å; K813-L817 PolarHBondContact O-N 3.43Å; R814-L817 PolarHBondContact O-N 3.31Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.32Å; L817-V819 PolarHBondContact O-N 2.76Å; L817-V819 VanDerWaalsContact O-N 3.16Å; L817-A820 CarbonylContact O-C 3.6Å; L817-A820 WeakPolarHBondContact O-CA 3.24Å; L817-A820 VanDerWaalsContact O-CB 3.31Å; L817-A820 WeakPolarHBondContact O-CB 3.45Å; L817-A820 PolarHBondContact O-N 2.91Å; L817-D821 VanDerWaalsContact O-CG 3.25Å; L817-D821 PolarHBondContact O-N 2.87Å
818E88Confident88.1Confident93 Ų93107.4 Ų107.444%0.43552%0.523SS..Hα-helixtrans-58.5-33.1178.4-166.4168.6-146.200111.4K300 R814 I815 L822K300-E818 IonicContact NZ-OE1 2.85Å; R814-E818 WeakPolarHBondContact O-CB 3.45Å; R814-E818 PolarHBondContact O-N 3Å; I815-E818 PolarHBondContact O-N 3.36Å; E818-L822 HydrophobicContact CG-CD1 4.37Å; E818-L822 VanDerWaalsContact O-CB 3.27Å; E818-L822 WeakPolarHBondContact O-CB 3.34Å; E818-L822 WeakPolarHBondContact O-CD1 3.33Å; E818-L822 WeakPolarHBondContact O-CG 3.3Å; E818-L822 PolarHBondContact O-N 3.22Å
819V86.3Confident88.1Confident54 Ų54107.2 Ų107.233%0.32752%0.521SS..Hα-helixtrans-75.9-23.5172.2168.30000113.4I815 L817 R823I815-V819 HydrophobicContact CG2-CG2 4.17Å; I815-V819 WeakPolarHBondContact O-CB 3.46Å; I815-V819 WeakPolarHBondContact O-CG2 3.25Å; I815-V819 PolarHBondContact O-N 3.46Å; L817-V819 PolarHBondContact O-N 2.76Å; L817-V819 VanDerWaalsContact O-N 3.16Å; V819-R823 VanDerWaalsContact O-CD 3.23Å; V819-R823 WeakPolarHBondContact O-CD 3.35Å; V819-R823 WeakPolarHBondContact O-CG 3.42Å; V819-R823 PolarHBondContact O-N 2.71Å
820A88.9Confident88.2Confident43 Ų43106.4 Ų106.436%0.35552%0.519SS..Hα-helixtrans-74-50.9169.800000110.4E816 L817 L822 R823 E824E816-A820 PolarHBondContact O-N 3.16Å; L817-A820 CarbonylContact O-C 3.6Å; L817-A820 WeakPolarHBondContact O-CA 3.24Å; L817-A820 VanDerWaalsContact O-CB 3.31Å; L817-A820 WeakPolarHBondContact O-CB 3.45Å; L817-A820 PolarHBondContact O-N 2.91Å; A820-L822 VanDerWaalsContact C-N 3.31Å; A820-L822 PolarHBondContact O-N 3.5Å; A820-R823 WeakPolarHBondContact O-CA 3.49Å; A820-R823 WeakPolarHBondContact O-CB 3.47Å; A820-R823 PolarHBondContact O-N 3.18Å; A820-E824 PolarHBondContact O-N 3.4Å
821D89.4Confident88.1Confident97 Ų97105.7 Ų105.752%0.51951%0.513SS..Hα-helixtrans-57.2-44.3178.8-53-18.4000111.1L817 R823 E824 M825L817-D821 VanDerWaalsContact O-CG 3.25Å; L817-D821 PolarHBondContact O-N 2.87Å; D821-R823 VanDerWaalsContact C-N 3.3Å; D821-R823 PolarHBondContact O-N 3.34Å; D821-E824 PolarHBondContact O-N 3.46Å; D821-M825 WeakPolarHBondContact O-CB 3.34Å; D821-M825 PolarHBondContact O-N 2.95Å
822L88.7Confident88.2Confident103 Ų103108.5 Ų108.554%0.53952%0.518SS..Hα-helixtrans-67.6-23.7175.5-73.2170.5000113.8E818 A820 K826E818-L822 HydrophobicContact CG-CD1 4.37Å; E818-L822 VanDerWaalsContact O-CB 3.27Å; E818-L822 WeakPolarHBondContact O-CB 3.34Å; E818-L822 WeakPolarHBondContact O-CD1 3.33Å; E818-L822 WeakPolarHBondContact O-CG 3.3Å; E818-L822 PolarHBondContact O-N 3.22Å; A820-L822 VanDerWaalsContact C-N 3.31Å; A820-L822 PolarHBondContact O-N 3.5Å; L822-K826 VanDerWaalsContact O-CB 3.29Å; L822-K826 WeakPolarHBondContact O-CB 3.37Å; L822-K826 PolarHBondContact O-N 3.41Å
823R89.9Confident88.2Confident166 Ų166105.2 Ų105.263%0.62651%0.512SS*.Hα-helixtrans-78.2-41172.8-77.7166.6-176.3164.93.1111.6V819 A820 D821 K826 M827V819-R823 VanDerWaalsContact O-CD 3.23Å; V819-R823 WeakPolarHBondContact O-CD 3.35Å; V819-R823 WeakPolarHBondContact O-CG 3.42Å; V819-R823 PolarHBondContact O-N 2.71Å; A820-R823 WeakPolarHBondContact O-CA 3.49Å; A820-R823 WeakPolarHBondContact O-CB 3.47Å; A820-R823 PolarHBondContact O-N 3.18Å; D821-R823 VanDerWaalsContact C-N 3.3Å; D821-R823 PolarHBondContact O-N 3.34Å; R823-K826 WeakPolarHBondContact O-CB 3.5Å; R823-K826 PolarHBondContact O-N 2.8Å; R823-M827 WeakPolarHBondContact O-CG 3.48Å; R823-M827 PolarHBondContact O-N 2.84Å
824E87.5Confident88.1Confident144 Ų144103.6 Ų103.667%0.67351%0.506SS*.Hα-helixtrans-65.9-44.8176.3-170.5159-148.100110.7A820 D821 K826 M827 A828A820-E824 PolarHBondContact O-N 3.4Å; D821-E824 PolarHBondContact O-N 3.46Å; E824-K826 VanDerWaalsContact C-N 3.32Å; E824-K826 PolarHBondContact O-N 3.31Å; E824-M827 WeakPolarHBondContact O-CB 3.32Å; E824-M827 PolarHBondContact O-N 3.31Å; E824-M827 VanDerWaalsContact O-N 3.08Å; E824-A828 PolarHBondContact O-N 3Å
825M87.6Confident88.1Confident104 Ų104103 Ų10351%0.51250%0.504SS..Hα-helixtrans-59.4-39.9170.4-173.7-178.5-68.600112.3D821 A828 F829D821-M825 WeakPolarHBondContact O-CB 3.34Å; D821-M825 PolarHBondContact O-N 2.95Å; M825-A828 PolarHBondContact O-N 3.49Å; M825-F829 HydrophobicContact CG-CD2 3.9Å; M825-F829 HydrophobicContact CG-CE2 3.49Å; M825-F829 VanDerWaalsContact CG-CE2 3.49Å; M825-F829 HydrophobicContact CG-CZ 4.24Å; M825-F829 VanDerWaalsContact O-CD2 3.27Å; M825-F829 WeakPolarHBondContact O-CD2 3.25Å; M825-F829 PolarHBondContact O-N 3.08Å; M825-F829 HydrophobicContact SD-CE2 3.88Å
826K86.8Confident88.1Confident147 Ų147103.3 Ų103.364%0.63950%0.503SS*.Hα-helixtrans-62.4-42.4172.8-176.6-172.9173.4-1700111.6L822 R823 E824 F829 T830L822-K826 VanDerWaalsContact O-CB 3.29Å; L822-K826 WeakPolarHBondContact O-CB 3.37Å; L822-K826 PolarHBondContact O-N 3.41Å; R823-K826 WeakPolarHBondContact O-CB 3.5Å; R823-K826 PolarHBondContact O-N 2.8Å; E824-K826 VanDerWaalsContact C-N 3.32Å; E824-K826 PolarHBondContact O-N 3.31Å; K826-F829 PolarHBondContact O-N 3.33Å; K826-T830 WeakPolarHBondContact O-CB 3.25Å; K826-T830 PolarHBondContact O-N 3.43Å; K826-T830 PolarHBondContact O-OG1 3.47Å
827M89.5Confident88.2Confident125 Ų125103.8 Ų103.862%0.61651%0.505SS*.Hα-helixtrans-62.4-46.3177.7-75.8177.857.400111R823 E824 F829 T830 E831R823-M827 WeakPolarHBondContact O-CG 3.48Å; R823-M827 PolarHBondContact O-N 2.84Å; E824-M827 WeakPolarHBondContact O-CB 3.32Å; E824-M827 PolarHBondContact O-N 3.31Å; E824-M827 VanDerWaalsContact O-N 3.08Å; M827-F829 PolarHBondContact O-N 2.78Å; M827-T830 WeakPolarHBondContact O-CB 3.4Å; M827-T830 PolarHBondContact O-N 2.84Å; M827-E831 PolarHBondContact O-N 2.86Å
828A88.1Confident88.2Confident59 Ų59103.2 Ų103.249%0.48850%0.5SS..Hα-helixtrans-57.6-44.4175.400000112.8E824 M825 T830 Q832E824-A828 PolarHBondContact O-N 3Å; M825-A828 PolarHBondContact O-N 3.49Å; A828-T830 VanDerWaalsContact C-N 3.35Å; A828-Q832 WeakPolarHBondContact O-CB 3.36Å; A828-Q832 PolarHBondContact O-N 3.33Å
829F86.5Confident88.2Confident114 Ų114104 Ų10450%0.550%0.502SS..Hα-helixtrans-67.9-31.8173.8-70.9-45.6000113.3M825 K826 M827 Q832 I833M825-F829 HydrophobicContact CG-CD2 3.9Å; M825-F829 HydrophobicContact CG-CE2 3.49Å; M825-F829 VanDerWaalsContact CG-CE2 3.49Å; M825-F829 HydrophobicContact CG-CZ 4.24Å; M825-F829 VanDerWaalsContact O-CD2 3.27Å; M825-F829 WeakPolarHBondContact O-CD2 3.25Å; M825-F829 PolarHBondContact O-N 3.08Å; M825-F829 HydrophobicContact SD-CE2 3.88Å; K826-F829 PolarHBondContact O-N 3.33Å; M827-F829 PolarHBondContact O-N 2.78Å; F829-Q832 PolarHBondContact O-N 2.83Å; F829-I833 WeakPolarHBondContact O-CD1 3.3Å; F829-I833 VanDerWaalsContact O-CG1 3.26Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.4Å
830T88.4Confident88.2Confident54 Ų54105.4 Ų105.433%0.33151%0.507SS..Hα-helixtrans-67.9-46.8176.5-520000110.2K826 M827 A828 Q832 I833 E834K826-T830 WeakPolarHBondContact O-CB 3.25Å; K826-T830 PolarHBondContact O-N 3.43Å; K826-T830 PolarHBondContact O-OG1 3.47Å; M827-T830 WeakPolarHBondContact O-CB 3.4Å; M827-T830 PolarHBondContact O-N 2.84Å; A828-T830 VanDerWaalsContact C-N 3.35Å; T830-Q832 VanDerWaalsContact C-N 3.3Å; T830-Q832 PolarHBondContact O-N 2.86Å; T830-I833 PolarHBondContact O-N 2.84Å; T830-E834 WeakPolarHBondContact O-CG 3.26Å; T830-E834 PolarHBondContact O-N 3.46Å
831E88.3Confident88.3Confident90 Ų90109.9 Ų109.942%0.42152%0.52SS..Hα-helixtrans-60.1-38.5171.9-75.3-168.4-144.200112.5M827 I833 E834 R835M827-E831 PolarHBondContact O-N 2.86Å; E831-I833 VanDerWaalsContact C-N 3.33Å; E831-E834 PolarHBondContact O-N 2.68Å; E831-R835 WeakPolarHBondContact O-CB 3.36Å; E831-R835 WeakPolarHBondContact O-CG 3.11Å; E831-R835 PolarHBondContact O-N 2.84Å; E831-R835 IonicContact OE2-CZ 2.6Å; E831-R835 IonicContact OE2-NE 3.14Å; E831-R835 IonicContact OE2-NH2 3.59Å; E831-R835 PolarHBondContact OE2-NH2 3.46Å
832Q90Very high88.2Confident101 Ų101111.6 Ų111.647%0.47252%0.52SS..Hα-helixtrans-65.4-37.8176.9-168.7175.421.700111.9A828 F829 T830 Q836A828-Q832 WeakPolarHBondContact O-CB 3.36Å; A828-Q832 PolarHBondContact O-N 3.33Å; F829-Q832 PolarHBondContact O-N 2.83Å; T830-Q832 VanDerWaalsContact C-N 3.3Å; T830-Q832 PolarHBondContact O-N 2.86Å; Q832-Q836 WeakPolarHBondContact O-CB 3.23Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.3Å; Q832-Q836 PolarHBondContact O-N 3.5Å
833I86.7Confident88.1Confident90 Ų90110.4 Ų110.446%0.46251%0.513SS..Hα-helixtrans-65.7-50.5173.1-70.8163.6000110.1F829 T830 E831 R835 Q836 E837F829-I833 WeakPolarHBondContact O-CD1 3.3Å; F829-I833 VanDerWaalsContact O-CG1 3.26Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.4Å; T830-I833 PolarHBondContact O-N 2.84Å; E831-I833 VanDerWaalsContact C-N 3.33Å; I833-R835 VanDerWaalsContact C-N 3.3Å; I833-R835 PolarHBondContact O-N 3.02Å; I833-Q836 CarbonylContact O-C 3.59Å; I833-Q836 WeakPolarHBondContact O-CA 3.39Å; I833-Q836 WeakPolarHBondContact O-CB 3.47Å; I833-Q836 PolarHBondContact O-N 3.25Å; I833-E837 HydrophobicContact CG2-CG 4.18Å; I833-E837 WeakPolarHBondContact O-CG 3.2Å; I833-E837 PolarHBondContact O-N 2.93Å
834E88.3Confident88.1Confident99 Ų99108.1 Ų108.146%0.46351%0.51SS..Hα-helixtrans-57.1-41.6177.8-72.1178.2-168.300112.2T830 E831 Q836 E837 Q838T830-E834 WeakPolarHBondContact O-CG 3.26Å; T830-E834 PolarHBondContact O-N 3.46Å; E831-E834 PolarHBondContact O-N 2.68Å; E834-Q836 VanDerWaalsContact C-N 3.33Å; E834-Q836 PolarHBondContact O-N 2.86Å; E834-E837 PolarHBondContact O-N 3.14Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 VanDerWaalsContact O-CG 3.24Å; E834-Q838 WeakPolarHBondContact O-CG 3.4Å; E834-Q838 PolarHBondContact O-N 2.9Å
835R88.1Confident88.2Confident160 Ų160104.4 Ų104.460%0.60450%0.5SS*.Hα-helixtrans-64.5-35.2174.7-69.3169.5-161-158.39.9112.3E831 I833 F839E831-R835 WeakPolarHBondContact O-CB 3.36Å; E831-R835 WeakPolarHBondContact O-CG 3.11Å; E831-R835 PolarHBondContact O-N 2.84Å; E831-R835 IonicContact OE2-CZ 2.6Å; E831-R835 IonicContact OE2-NE 3.14Å; E831-R835 IonicContact OE2-NH2 3.59Å; E831-R835 PolarHBondContact OE2-NH2 3.46Å; I833-R835 VanDerWaalsContact C-N 3.3Å; I833-R835 PolarHBondContact O-N 3.02Å; R835-F839 WeakPolarHBondContact O-CB 3.45Å; R835-F839 PolarHBondContact O-N 3.5Å
836Q87.7Confident88.2Confident105 Ų105104.5 Ų104.549%0.49150%0.499SS..Hα-helixtrans-73.5-40.6174.8-75.6177.5800112.1Q832 I833 E834 F839 I840Q832-Q836 WeakPolarHBondContact O-CB 3.23Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.3Å; Q832-Q836 PolarHBondContact O-N 3.5Å; I833-Q836 CarbonylContact O-C 3.59Å; I833-Q836 WeakPolarHBondContact O-CA 3.39Å; I833-Q836 WeakPolarHBondContact O-CB 3.47Å; I833-Q836 PolarHBondContact O-N 3.25Å; E834-Q836 VanDerWaalsContact C-N 3.33Å; E834-Q836 PolarHBondContact O-N 2.86Å; Q836-F839 WeakPolarHBondContact O-CB 3.3Å; Q836-F839 PolarHBondContact O-N 2.64Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; Q836-I840 VanDerWaalsContact O-CG1 3.31Å; Q836-I840 WeakPolarHBondContact O-CG1 3.4Å; Q836-I840 PolarHBondContact O-N 3.07Å
837E88.7Confident88.2Confident120 Ų120101.7 Ų101.756%0.56149%0.49SS*.Hα-helixtrans-63-46.3175.8-71.2-179.1154.400111.1I833 E834 F839 I840 E841I833-E837 HydrophobicContact CG2-CG 4.18Å; I833-E837 WeakPolarHBondContact O-CG 3.2Å; I833-E837 PolarHBondContact O-N 2.93Å; E834-E837 PolarHBondContact O-N 3.14Å; E837-F839 PolarHBondContact O-N 2.98Å; E837-I840 PolarHBondContact O-N 3.42Å; E837-E841 WeakPolarHBondContact O-CB 3.25Å; E837-E841 PolarHBondContact O-N 3.31Å
838Q89.3Confident88.2Confident100 Ų10097.9 Ų97.947%0.46748%0.479SS..Hα-helixtrans-62.3-23.2172.6-70.517324.300113.6E834 R842E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 VanDerWaalsContact O-CG 3.24Å; E834-Q838 WeakPolarHBondContact O-CG 3.4Å; E834-Q838 PolarHBondContact O-N 2.9Å; Q838-R842 PolarHBondContact O-N 2.94Å; Q838-R842 PolarHBondContact O-NE 2.82Å; Q838-R842 PolarHBondContact O-NH2 3.25Å
839F87.1Confident88.3Confident108 Ų10899.4 Ų99.447%0.47448%0.479SS..Hα-helixtrans-82.7-40.3174.2-178.4-113.9000111.3R835 Q836 E837 R842 L843R835-F839 WeakPolarHBondContact O-CB 3.45Å; R835-F839 PolarHBondContact O-N 3.5Å; Q836-F839 WeakPolarHBondContact O-CB 3.3Å; Q836-F839 PolarHBondContact O-N 2.64Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; E837-F839 PolarHBondContact O-N 2.98Å; F839-R842 PolarHBondContact O-N 3.45Å; F839-L843 HydrophobicContact CD1-CD1 3.99Å; F839-L843 HydrophobicContact CE1-CD1 3.52Å; F839-L843 HydrophobicContact CE1-CG 4.28Å; F839-L843 HydrophobicContact CE2-CD1 4.47Å; F839-L843 HydrophobicContact CE2-CG 4.39Å; F839-L843 HydrophobicContact CZ-CD1 3.79Å; F839-L843 HydrophobicContact CZ-CD2 4.39Å; F839-L843 HydrophobicContact CZ-CG 4.16Å; F839-L843 WeakPolarHBondContact O-CG 3.29Å; F839-L843 PolarHBondContact O-N 3.42Å
840I87.4Confident88.2Confident84 Ų8499.4 Ų99.443%0.43148%0.48SS..Hα-helixtrans-63.2-42.1173.3-69.9164.1000110.8Q836 E837 L843 Q844Q836-I840 VanDerWaalsContact O-CG1 3.31Å; Q836-I840 WeakPolarHBondContact O-CG1 3.4Å; Q836-I840 PolarHBondContact O-N 3.07Å; E837-I840 PolarHBondContact O-N 3.42Å; I840-L843 PolarHBondContact O-N 3.38Å; I840-Q844 HydrophobicContact CG2-CG 4.42Å; I840-Q844 VanDerWaalsContact CG2-NE2 3.3Å; I840-Q844 WeakPolarHBondContact O-CB 3.48Å; I840-Q844 VanDerWaalsContact O-CG 3.29Å; I840-Q844 WeakPolarHBondContact O-CG 3.44Å; I840-Q844 PolarHBondContact O-N 2.82Å
841E89.6Confident88.2Confident137 Ų137104.1 Ų104.164%0.6449%0.492SS*.Hα-helixtrans-64.3-40.9177-172.4174.6-139.300111.8E837 Q844 S845E837-E841 WeakPolarHBondContact O-CB 3.25Å; E837-E841 PolarHBondContact O-N 3.31Å; E841-Q844 PolarHBondContact O-N 3.4Å; E841-S845 PolarHBondContact O-N 2.79Å
842R88.6Confident88.3Confident133 Ų133106.7 Ų106.750%0.50250%0.504SS..Hα-helixtrans-60.6-48.7170.6-86.7176.1-79.3179.1-8.8112.1Q838 F839 Q844 S845 E846Q838-R842 PolarHBondContact O-N 2.94Å; Q838-R842 PolarHBondContact O-NE 2.82Å; Q838-R842 PolarHBondContact O-NH2 3.25Å; F839-R842 PolarHBondContact O-N 3.45Å; R842-Q844 VanDerWaalsContact C-N 3.28Å; R842-Q844 PolarHBondContact O-N 3.32Å; R842-S845 WeakPolarHBondContact O-CB 3.49Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 VanDerWaalsContact O-N 3.15Å; R842-E846 WeakPolarHBondContact O-CG 3.38Å; R842-E846 PolarHBondContact O-N 3.49Å
843L86.8Confident88.3Confident78 Ų78108.8 Ų108.841%0.40851%0.508SS..Hα-helixtrans-62.5-32.8176.2-73176.9000112.9F839 I840 L847F839-L843 HydrophobicContact CD1-CD1 3.99Å; F839-L843 HydrophobicContact CE1-CD1 3.52Å; F839-L843 HydrophobicContact CE1-CG 4.28Å; F839-L843 HydrophobicContact CE2-CD1 4.47Å; F839-L843 HydrophobicContact CE2-CG 4.39Å; F839-L843 HydrophobicContact CZ-CD1 3.79Å; F839-L843 HydrophobicContact CZ-CD2 4.39Å; F839-L843 HydrophobicContact CZ-CG 4.16Å; F839-L843 WeakPolarHBondContact O-CG 3.29Å; F839-L843 PolarHBondContact O-N 3.42Å; I840-L843 PolarHBondContact O-N 3.38Å; L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 PolarHBondContact O-N 2.89Å
844Q89.4Confident88.3Confident119 Ų119108.7 Ų108.756%0.55651%0.508SS*.Hα-helixtrans-70.4-37.9174.3-75.3176.618.400111.9I840 E841 R842 A848I840-Q844 HydrophobicContact CG2-CG 4.42Å; I840-Q844 VanDerWaalsContact CG2-NE2 3.3Å; I840-Q844 WeakPolarHBondContact O-CB 3.48Å; I840-Q844 VanDerWaalsContact O-CG 3.29Å; I840-Q844 WeakPolarHBondContact O-CG 3.44Å; I840-Q844 PolarHBondContact O-N 2.82Å; E841-Q844 PolarHBondContact O-N 3.4Å; R842-Q844 VanDerWaalsContact C-N 3.28Å; R842-Q844 PolarHBondContact O-N 3.32Å; Q844-A848 WeakPolarHBondContact O-CB 3.5Å; Q844-A848 PolarHBondContact O-N 2.84Å
845S89Confident88.4Confident65 Ų65109.2 Ų109.246%0.45551%0.514SS..Hα-helixtrans-65.5-47.7172.4-174.10000111.7E841 R842 L847 A848 N849E841-S845 PolarHBondContact O-N 2.79Å; R842-S845 WeakPolarHBondContact O-CB 3.49Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 VanDerWaalsContact O-N 3.15Å; S845-L847 VanDerWaalsContact C-N 3.35Å; S845-L847 PolarHBondContact O-N 3.36Å; S845-A848 WeakPolarHBondContact O-CB 3.5Å; S845-A848 PolarHBondContact O-N 3.23Å; S845-A848 VanDerWaalsContact O-N 3.14Å; S845-N849 VanDerWaalsContact O-CG 3.23Å; S845-N849 PolarHBondContact O-N 2.82Å; S845-N849 PolarHBondContact O-ND2 2.76Å
846E87.7Confident88.4Confident107 Ų107107.9 Ų107.950%0.551%0.513SS..Hα-helixtrans-58.7-43.8174-71.8168.2-156.900111.8R842 A848 N849 E850R842-E846 WeakPolarHBondContact O-CG 3.38Å; R842-E846 PolarHBondContact O-N 3.49Å; E846-A848 VanDerWaalsContact C-N 3.33Å; E846-A848 PolarHBondContact O-N 2.82Å; E846-N849 PolarHBondContact O-N 2.77Å; E846-E850 PolarHBondContact O-N 3.42Å
847L87.4Confident88.4Confident87 Ų87107.1 Ų107.146%0.45551%0.512SS..Hα-helixtrans-66.6-31.5175.7-176.964.1000112.9L843 S845 R851L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 PolarHBondContact O-N 2.89Å; S845-L847 VanDerWaalsContact C-N 3.35Å; S845-L847 PolarHBondContact O-N 3.36Å; L847-R851 WeakPolarHBondContact O-CB 3.22Å; L847-R851 WeakPolarHBondContact O-CD 3.41Å; L847-R851 WeakPolarHBondContact O-CG 3.43Å; L847-R851 PolarHBondContact O-N 3.35Å; L847-R851 VanDerWaalsContact O-N 3.08Å
848A89.4Confident88.3Confident45 Ų45104.6 Ų104.637%0.37250%0.502SS..Hα-helixtrans-69.5-47.1172.400000111.1Q844 S845 E846 E850 R851 E852Q844-A848 WeakPolarHBondContact O-CB 3.5Å; Q844-A848 PolarHBondContact O-N 2.84Å; S845-A848 WeakPolarHBondContact O-CB 3.5Å; S845-A848 PolarHBondContact O-N 3.23Å; S845-A848 VanDerWaalsContact O-N 3.14Å; E846-A848 VanDerWaalsContact C-N 3.33Å; E846-A848 PolarHBondContact O-N 2.82Å; A848-E850 PolarHBondContact O-N 3.3Å; A848-R851 WeakPolarHBondContact O-CB 3.37Å; A848-R851 PolarHBondContact O-N 2.93Å; A848-R851 VanDerWaalsContact O-N 3.1Å; A848-E852 PolarHBondContact O-N 3.1Å
849N89.5Confident88.4Confident91 Ų91106.2 Ų106.249%0.48751%0.507SS..Hα-helixtrans-60.5-42.3177.2-65.4-36.9000112S845 E846 R851 E852 R853S845-N849 VanDerWaalsContact O-CG 3.23Å; S845-N849 PolarHBondContact O-N 2.82Å; S845-N849 PolarHBondContact O-ND2 2.76Å; E846-N849 PolarHBondContact O-N 2.77Å; N849-R851 VanDerWaalsContact C-N 3.35Å; N849-E852 PolarHBondContact O-N 3.22Å; N849-R853 VanDerWaalsContact O-CB 3.3Å; N849-R853 WeakPolarHBondContact O-CB 3.4Å; N849-R853 PolarHBondContact O-N 3.07Å
850E84.6Confident88.5Confident115 Ų115104.6 Ų104.654%0.53750%0.503SS..Hα-helixtrans-70.9-27.1175.1-78.4-60.5127.600113.1E846 A848 R853 N854E846-E850 PolarHBondContact O-N 3.42Å; A848-E850 PolarHBondContact O-N 3.3Å; E850-R853 WeakPolarHBondContact OE1-CD 3.45Å; E850-R853 IonicContact OE1-NE 3.78Å; E850-R853 WeakPolarHBondContact OE2-CD 3.32Å; E850-N854 WeakPolarHBondContact O-CB 3.5Å; E850-N854 PolarHBondContact O-N 2.66Å
851R89.7Confident88.5Confident152 Ų152106 Ų10657%0.57451%0.506SS*.Hα-helixtrans-67.9-47.9169.1-78166.3179.21760.4111.5L847 A848 N849 R853 N854 D855L847-R851 WeakPolarHBondContact O-CB 3.22Å; L847-R851 WeakPolarHBondContact O-CD 3.41Å; L847-R851 WeakPolarHBondContact O-CG 3.43Å; L847-R851 PolarHBondContact O-N 3.35Å; L847-R851 VanDerWaalsContact O-N 3.08Å; A848-R851 WeakPolarHBondContact O-CB 3.37Å; A848-R851 PolarHBondContact O-N 2.93Å; A848-R851 VanDerWaalsContact O-N 3.1Å; N849-R851 VanDerWaalsContact C-N 3.35Å; R851-R853 VanDerWaalsContact C-N 3.31Å; R851-R853 PolarHBondContact O-N 3.27Å; R851-N854 PolarHBondContact O-N 2.83Å; R851-N854 VanDerWaalsContact O-N 3.17Å; R851-D855 PolarHBondContact O-N 3.01Å
852E90Very high88.6Confident145 Ų145102.1 Ų102.168%0.67849%0.492SS*.Hα-helixtrans-60.8-40.5175.5-69.2-169.317800111.8A848 N849 D855 F856A848-E852 PolarHBondContact O-N 3.1Å; N849-E852 PolarHBondContact O-N 3.22Å; E852-D855 PolarHBondContact O-N 2.87Å; E852-F856 WeakPolarHBondContact O-CB 3.22Å; E852-F856 PolarHBondContact O-N 2.78Å
853R89Confident88.6Confident145 Ų14598.8 Ų98.855%0.54748%0.484SS..Hα-helixtrans-61.8-44173.3-175.4-176.1174.779-1.7112N849 E850 R851 F856 L857N849-R853 VanDerWaalsContact O-CB 3.3Å; N849-R853 WeakPolarHBondContact O-CB 3.4Å; N849-R853 PolarHBondContact O-N 3.07Å; E850-R853 WeakPolarHBondContact OE1-CD 3.45Å; E850-R853 IonicContact OE1-NE 3.78Å; E850-R853 WeakPolarHBondContact OE2-CD 3.32Å; R851-R853 VanDerWaalsContact C-N 3.31Å; R851-R853 PolarHBondContact O-N 3.27Å; R853-F856 PolarHBondContact O-N 2.68Å; R853-L857 HydrophobicContact CG-CD1 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.4Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 2.97Å
854N86.8Confident88.7Confident87 Ų8799.9 Ų99.947%0.46549%0.485SS..Hα-helixtrans-65.5-42.5176.6-173.420.6000111.3E850 R851 F856 L857 N858E850-N854 WeakPolarHBondContact O-CB 3.5Å; E850-N854 PolarHBondContact O-N 2.66Å; R851-N854 PolarHBondContact O-N 2.83Å; R851-N854 VanDerWaalsContact O-N 3.17Å; N854-F856 VanDerWaalsContact C-N 3.35Å; N854-F856 PolarHBondContact O-N 2.87Å; N854-L857 PolarHBondContact O-N 3.47Å; N854-N858 WeakPolarHBondContact O-CB 3.26Å; N854-N858 PolarHBondContact O-N 2.88Å; N854-N858 PolarHBondContact O-ND2 3.47Å; N854-N858 PolarHBondContact OD1-ND2 2.86Å
855D90.4Very high88.7Confident111 Ų11198.7 Ų98.759%0.59448%0.48SS*.Hα-helixtrans-65.2-37.7176.3-74-17.2000112R851 E852 N858 K859R851-D855 PolarHBondContact O-N 3.01Å; E852-D855 PolarHBondContact O-N 2.87Å; D855-N858 PolarHBondContact O-N 3.46Å; D855-K859 WeakPolarHBondContact O-CB 3.23Å; D855-K859 PolarHBondContact O-N 3.22Å
856F88.4Confident88.8Confident132 Ų132102.4 Ų102.458%0.57948%0.484SS*.Hα-helixtrans-64-43.7171.3-178.9-103.4000112.5E852 R853 N854 K859 I860E852-F856 WeakPolarHBondContact O-CB 3.22Å; E852-F856 PolarHBondContact O-N 2.78Å; R853-F856 PolarHBondContact O-N 2.68Å; N854-F856 VanDerWaalsContact C-N 3.35Å; N854-F856 PolarHBondContact O-N 2.87Å; F856-K859 WeakPolarHBondContact O-CB 3.38Å; F856-K859 PolarHBondContact O-N 3.41Å; F856-I860 HydrophobicContact CD1-CD1 3.93Å; F856-I860 HydrophobicContact CE1-CD1 3.4Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.42Å; F856-I860 HydrophobicContact CZ-CD1 3.69Å; F856-I860 PolarHBondContact O-N 3.3Å
857L88Confident88.8Confident89 Ų89101.6 Ų101.647%0.46648%0.48SS..Hα-helixtrans-66.4-39.1175.2-73.3170.5000112.2R853 N854 K859 I860 K861R853-L857 HydrophobicContact CG-CD1 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.4Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 2.97Å; N854-L857 PolarHBondContact O-N 3.47Å; L857-K859 VanDerWaalsContact C-N 3.34Å; L857-I860 PolarHBondContact O-N 3.22Å; L857-K861 VanDerWaalsContact O-CB 3.28Å; L857-K861 WeakPolarHBondContact O-CB 3.38Å; L857-K861 PolarHBondContact O-N 3.39Å
858N87.3Confident88.8Confident66 Ų66102.6 Ų102.635%0.35349%0.485SS..Hα-helixtrans-65.3-38.1173.5-76-50.5000111.3N854 D855 K861 T862N854-N858 WeakPolarHBondContact O-CB 3.26Å; N854-N858 PolarHBondContact O-N 2.88Å; N854-N858 PolarHBondContact O-ND2 3.47Å; N854-N858 PolarHBondContact OD1-ND2 2.86Å; D855-N858 PolarHBondContact O-N 3.46Å; N858-K861 WeakPolarHBondContact O-CB 3.45Å; N858-K861 PolarHBondContact O-N 3.48Å; N858-T862 WeakPolarHBondContact O-CG2 3.46Å; N858-T862 PolarHBondContact O-N 3.4Å; N858-T862 PolarHBondContact O-OG1 2.87Å
859K91.7Very high88.8Confident134 Ų134108 Ų10858%0.58350%0.497SS*.Hα-helixtrans-60.7-53.8172.6-173.8177178-178.40111.2D855 F856 L857 K861 T862 D863D855-K859 WeakPolarHBondContact O-CB 3.23Å; D855-K859 PolarHBondContact O-N 3.22Å; F856-K859 WeakPolarHBondContact O-CB 3.38Å; F856-K859 PolarHBondContact O-N 3.41Å; L857-K859 VanDerWaalsContact C-N 3.34Å; K859-K861 VanDerWaalsContact C-N 3.26Å; K859-K861 PolarHBondContact O-N 3.07Å; K859-T862 PolarHBondContact O-N 3.26Å; K859-T862 VanDerWaalsContact O-N 3.1Å; K859-T862 PolarHBondContact O-OG1 2.83Å; K859-D863 VanDerWaalsContact O-CG 3.31Å; K859-D863 PolarHBondContact O-N 3.47Å
860I88.1Confident88.8Confident74 Ų74106.3 Ų106.338%0.37949%0.493SS..Hα-helixtrans-54.8-43175.4-71.9174.6000111.2F856 L857 D863 K864F856-I860 HydrophobicContact CD1-CD1 3.93Å; F856-I860 HydrophobicContact CE1-CD1 3.4Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.42Å; F856-I860 HydrophobicContact CZ-CD1 3.69Å; F856-I860 PolarHBondContact O-N 3.3Å; L857-I860 PolarHBondContact O-N 3.22Å; I860-D863 PolarHBondContact O-N 3.43Å; I860-K864 WeakPolarHBondContact O-CB 3.47Å; I860-K864 WeakPolarHBondContact O-CG 3.16Å; I860-K864 PolarHBondContact O-N 3.46Å
861K88.4Confident88.9Confident114 Ų114105 Ų10550%0.49649%0.488SS..Hα-helixtrans-58.5-52.3175.4177.6-172.1160.4-173.30111.1L857 N858 K859 D863 K864 E865L857-K861 VanDerWaalsContact O-CB 3.28Å; L857-K861 WeakPolarHBondContact O-CB 3.38Å; L857-K861 PolarHBondContact O-N 3.39Å; N858-K861 WeakPolarHBondContact O-CB 3.45Å; N858-K861 PolarHBondContact O-N 3.48Å; K859-K861 VanDerWaalsContact C-N 3.26Å; K859-K861 PolarHBondContact O-N 3.07Å; K861-D863 VanDerWaalsContact C-N 3.29Å; K861-D863 PolarHBondContact O-N 2.83Å; K861-K864 CarbonylContact O-C 3.54Å; K861-K864 PolarHBondContact O-N 2.89Å; K861-K864 VanDerWaalsContact O-N 3.16Å; K861-E865 VanDerWaalsContact CE-CD 3.47Å; K861-E865 WeakPolarHBondContact CE-OE1 3.41Å; K861-E865 HydrophobicContact CG-CG 4.34Å; K861-E865 IonicContact NZ-OE1 3.65Å; K861-E865 WeakPolarHBondContact O-CB 3.37Å; K861-E865 WeakPolarHBondContact O-CG 3.34Å; K861-E865 PolarHBondContact O-N 3.33Å
862T90.3Very high89Confident56 Ų56100.6 Ų100.634%0.34448%0.479SS..Hα-helixtrans-67-29.1179.8650000113.3N858 K859 R866N858-T862 WeakPolarHBondContact O-CG2 3.46Å; N858-T862 PolarHBondContact O-N 3.4Å; N858-T862 PolarHBondContact O-OG1 2.87Å; K859-T862 PolarHBondContact O-N 3.26Å; K859-T862 VanDerWaalsContact O-N 3.1Å; K859-T862 PolarHBondContact O-OG1 2.83Å; T862-R866 WeakPolarHBondContact O-CG 3.27Å; T862-R866 PolarHBondContact O-N 2.82Å; T862-R866 VanDerWaalsContact O-N 3.1Å; T862-R866 PolarHBondContact O-NE 2.77Å; T862-R866 PolarHBondContact O-NH2 2.8Å; T862-R866 PolarHBondContact OG1-NH2 3.43Å
863D89.8Confident89Confident62 Ų6296.4 Ų96.433%0.33246%0.461SS..Hα-helixtrans-67.7-43172.6-67.9-25.7000110.2K859 I860 K861 R866 E867K859-D863 VanDerWaalsContact O-CG 3.31Å; K859-D863 PolarHBondContact O-N 3.47Å; I860-D863 PolarHBondContact O-N 3.43Å; K861-D863 VanDerWaalsContact C-N 3.29Å; K861-D863 PolarHBondContact O-N 2.83Å; D863-R866 PolarHBondContact O-N 3.44Å; D863-R866 IonicContact OD1-CZ 2.62Å; D863-R866 IonicContact OD1-NH1 2.64Å; D863-R866 PolarHBondContact OD1-NH1 3.35Å; D863-R866 IonicContact OD1-NH2 3.08Å; D863-R866 PolarHBondContact OD1-NH2 2.76Å; D863-E867 PolarHBondContact O-N 3.45Å
864K87.4Confident89Confident102 Ų10294.2 Ų94.244%0.44346%0.457SS..Hα-helixtrans-73-29.4174.7-72.7-64.2-179.4-164.80114.4I860 K861 R866 E867 L868I860-K864 WeakPolarHBondContact O-CB 3.47Å; I860-K864 WeakPolarHBondContact O-CG 3.16Å; I860-K864 PolarHBondContact O-N 3.46Å; K861-K864 CarbonylContact O-C 3.54Å; K861-K864 PolarHBondContact O-N 2.89Å; K861-K864 VanDerWaalsContact O-N 3.16Å; K864-R866 VanDerWaalsContact C-N 3.33Å; K864-E867 HydrophobicContact CD-CB 4.46Å; K864-E867 WeakPolarHBondContact CD-OE2 3.47Å; K864-E867 WeakPolarHBondContact CE-OE2 3.43Å; K864-E867 IonicContact NZ-OE1 2.65Å; K864-E867 PolarHBondContact NZ-OE1 2.96Å; K864-E867 IonicContact NZ-OE2 2.63Å; K864-E867 PolarHBondContact NZ-OE2 3.03Å; K864-E867 PolarHBondContact O-N 2.97Å; K864-L868 WeakPolarHBondContact O-CB 3.4Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.15Å; K864-L868 PolarHBondContact O-N 2.9Å
865E90.1Very high88.9Confident93 Ų9395.6 Ų95.644%0.43546%0.462SS..Hα-helixtrans-66.4-36.7170.1-74.6170.515100110.9K861 Y869K861-E865 VanDerWaalsContact CE-CD 3.47Å; K861-E865 WeakPolarHBondContact CE-OE1 3.41Å; K861-E865 HydrophobicContact CG-CG 4.34Å; K861-E865 IonicContact NZ-OE1 3.65Å; K861-E865 WeakPolarHBondContact O-CB 3.37Å; K861-E865 WeakPolarHBondContact O-CG 3.34Å; K861-E865 PolarHBondContact O-N 3.33Å; E865-Y869 WeakPolarHBondContact O-CB 3.31Å; E865-Y869 PolarHBondContact O-N 3Å
866R90.7Very high88.8Confident143 Ų14394.5 Ų94.554%0.5446%0.456SS..Hα-helixtrans-69.3-38.6171.8-79.3178.2-96.41132112.7T862 D863 K864 Y869 S870T862-R866 WeakPolarHBondContact O-CG 3.27Å; T862-R866 PolarHBondContact O-N 2.82Å; T862-R866 VanDerWaalsContact O-N 3.1Å; T862-R866 PolarHBondContact O-NE 2.77Å; T862-R866 PolarHBondContact O-NH2 2.8Å; T862-R866 PolarHBondContact OG1-NH2 3.43Å; D863-R866 PolarHBondContact O-N 3.44Å; D863-R866 IonicContact OD1-CZ 2.62Å; D863-R866 IonicContact OD1-NH1 2.64Å; D863-R866 PolarHBondContact OD1-NH1 3.35Å; D863-R866 IonicContact OD1-NH2 3.08Å; D863-R866 PolarHBondContact OD1-NH2 2.76Å; K864-R866 VanDerWaalsContact C-N 3.33Å; R866-Y869 PolarHBondContact O-N 3.12Å; R866-S870 PolarHBondContact O-N 2.93Å
867E89Confident88.8Confident91 Ų9194.4 Ų94.443%0.42546%0.457SS..Hα-helixtrans-64.1-46.5173.9-166.6177126.500111.7D863 K864 Y869 S870 I871D863-E867 PolarHBondContact O-N 3.45Å; K864-E867 HydrophobicContact CD-CB 4.46Å; K864-E867 WeakPolarHBondContact CD-OE2 3.47Å; K864-E867 WeakPolarHBondContact CE-OE2 3.43Å; K864-E867 IonicContact NZ-OE1 2.65Å; K864-E867 PolarHBondContact NZ-OE1 2.96Å; K864-E867 IonicContact NZ-OE2 2.63Å; K864-E867 PolarHBondContact NZ-OE2 3.03Å; K864-E867 PolarHBondContact O-N 2.97Å; E867-Y869 VanDerWaalsContact C-N 3.31Å; E867-Y869 PolarHBondContact O-N 3.39Å; E867-S870 WeakPolarHBondContact O-CB 3.35Å; E867-S870 PolarHBondContact O-N 3.49Å; E867-I871 HydrophobicContact CG-CD1 4.18Å; E867-I871 WeakPolarHBondContact O-CG1 3.31Å; E867-I871 PolarHBondContact O-N 3.21Å
868L87.1Confident88.8Confident108 Ų10896 Ų9657%0.56547%0.465SS*.Hα-helixtrans-60.9-37.2173.1-75.8170.4000112.3K864 I871 T872K864-L868 WeakPolarHBondContact O-CB 3.4Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.15Å; K864-L868 PolarHBondContact O-N 2.9Å; L868-I871 PolarHBondContact O-N 2.86Å; L868-T872 WeakPolarHBondContact O-CB 3.48Å; L868-T872 PolarHBondContact O-N 2.84Å; L868-T872 PolarHBondContact O-OG1 2.78Å
869Y88.4Confident88.7Confident157 Ų15799 Ų9962%0.61648%0.477SS*.Hα-helixtrans-65.7-40.8174.6-171-109.5000111.9E865 R866 E867 T872 N873E865-Y869 WeakPolarHBondContact O-CB 3.31Å; E865-Y869 PolarHBondContact O-N 3Å; R866-Y869 PolarHBondContact O-N 3.12Å; E867-Y869 VanDerWaalsContact C-N 3.31Å; E867-Y869 PolarHBondContact O-N 3.39Å; Y869-T872 PolarHBondContact O-N 3.49Å; Y869-N873 WeakPolarHBondContact CD1-ND2 3.37Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.19Å; Y869-N873 VanDerWaalsContact O-CG 3.23Å; Y869-N873 PolarHBondContact O-N 3.1Å; Y869-N873 PolarHBondContact O-ND2 2.65Å
870S90.1Very high88.6Confident57 Ų5797.7 Ų97.740%0.39947%0.473SS..Hα-helixtrans-59.4-53172.4-158.50000111.2R866 E867 T872 N873 E874R866-S870 PolarHBondContact O-N 2.93Å; E867-S870 WeakPolarHBondContact O-CB 3.35Å; E867-S870 PolarHBondContact O-N 3.49Å; S870-T872 PolarHBondContact O-N 3.48Å; S870-N873 PolarHBondContact O-N 2.84Å; S870-N873 VanDerWaalsContact O-N 3.1Å; S870-E874 VanDerWaalsContact C-OE1 3.31Å; S870-E874 WeakPolarHBondContact CB-OE1 3.17Å; S870-E874 WeakPolarHBondContact O-CB 3.5Å; S870-E874 VanDerWaalsContact O-CG 3.31Å; S870-E874 WeakPolarHBondContact O-CG 3.43Å; S870-E874 PolarHBondContact O-N 2.75Å; S870-E874 PolarHBondContact OG-OE1 3.41Å
871I87.4Confident88.6Confident87 Ų8798.6 Ų98.645%0.44648%0.475SS..Hα-helixtrans-61-34.1-180-65.8166.1000111.5E867 L868 M875E867-I871 HydrophobicContact CG-CD1 4.18Å; E867-I871 WeakPolarHBondContact O-CG1 3.31Å; E867-I871 PolarHBondContact O-N 3.21Å; L868-I871 PolarHBondContact O-N 2.86Å; I871-M875 VanDerWaalsContact O-CB 3.25Å; I871-M875 WeakPolarHBondContact O-CB 3.35Å; I871-M875 PolarHBondContact O-N 2.75Å
872T90.1Very high88.5Confident60 Ų6097.7 Ų97.737%0.36848%0.476SS..Hα-helixtrans-68.1-46.4175.2-55.90000111.1L868 Y869 S870 E874 M875 D876L868-T872 WeakPolarHBondContact O-CB 3.48Å; L868-T872 PolarHBondContact O-N 2.84Å; L868-T872 PolarHBondContact O-OG1 2.78Å; Y869-T872 PolarHBondContact O-N 3.49Å; S870-T872 PolarHBondContact O-N 3.48Å; T872-E874 VanDerWaalsContact C-N 3.33Å; T872-E874 PolarHBondContact O-N 3.28Å; T872-M875 PolarHBondContact O-N 3.19Å; T872-D876 WeakPolarHBondContact O-CB 3.28Å; T872-D876 PolarHBondContact O-N 3.21Å
873N89.6Confident88.4Confident56 Ų56102 Ų10230%0.29949%0.49SS..Hα-helixtrans-63.5-39.3175.7-63.1-39.5000111.6Y869 S870 D876 H877Y869-N873 WeakPolarHBondContact CD1-ND2 3.37Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.19Å; Y869-N873 VanDerWaalsContact O-CG 3.23Å; Y869-N873 PolarHBondContact O-N 3.1Å; Y869-N873 PolarHBondContact O-ND2 2.65Å; S870-N873 PolarHBondContact O-N 2.84Å; S870-N873 VanDerWaalsContact O-N 3.1Å; N873-D876 PolarHBondContact O-N 3.46Å; N873-H877 WeakPolarHBondContact O-CB 3.39Å; N873-H877 PolarHBondContact O-CD2 3.02Å; N873-H877 VanDerWaalsContact O-CG 3.27Å; N873-H877 PolarHBondContact O-N 3.37Å
874E89.1Confident88.4Confident99 Ų99103.2 Ų103.246%0.46349%0.494SS..Hα-helixtrans-64.2-41.6174.7-71.1162.8-126.500111.3S870 T872 H877 L878S870-E874 VanDerWaalsContact C-OE1 3.31Å; S870-E874 WeakPolarHBondContact CB-OE1 3.17Å; S870-E874 WeakPolarHBondContact O-CB 3.5Å; S870-E874 VanDerWaalsContact O-CG 3.31Å; S870-E874 WeakPolarHBondContact O-CG 3.43Å; S870-E874 PolarHBondContact O-N 2.75Å; S870-E874 PolarHBondContact OG-OE1 3.41Å; T872-E874 VanDerWaalsContact C-N 3.33Å; T872-E874 PolarHBondContact O-N 3.28Å; E874-H877 PolarHBondContact O-N 3.24Å; E874-L878 WeakPolarHBondContact O-CB 3.34Å; E874-L878 VanDerWaalsContact O-CG 3.25Å; E874-L878 WeakPolarHBondContact O-CG 3.41Å; E874-L878 PolarHBondContact O-N 3.22Å
875M85.2Confident88.4Confident116 Ų116102 Ų10257%0.57149%0.492SS*.Hα-helixtrans-65.1-42173.9-174.1-175.77000112I871 T872 L878 H879I871-M875 VanDerWaalsContact O-CB 3.25Å; I871-M875 WeakPolarHBondContact O-CB 3.35Å; I871-M875 PolarHBondContact O-N 2.75Å; T872-M875 PolarHBondContact O-N 3.19Å; M875-L878 PolarHBondContact O-N 3.34Å; M875-H879 VanDerWaalsContact O-CB 3.26Å; M875-H879 WeakPolarHBondContact O-CB 3.36Å; M875-H879 PolarHBondContact O-N 2.91Å
876D89Confident88.4Confident88 Ų88100.6 Ų100.647%0.47149%0.492SS..Hα-helixtrans-66.4-39.9176.4-78.9-21.5000111.5T872 N873 H879 Q880T872-D876 WeakPolarHBondContact O-CB 3.28Å; T872-D876 PolarHBondContact O-N 3.21Å; N873-D876 PolarHBondContact O-N 3.46Å; D876-H879 PolarHBondContact O-N 3.37Å; D876-Q880 WeakPolarHBondContact O-CB 3.34Å; D876-Q880 PolarHBondContact O-N 2.89Å
877H87.8Confident88.3Confident130 Ų13096.7 Ų96.760%0.60249%0.486SS*.Hα-helixtrans-64-42.9171.9-74.8-45.1000112.2N873 E874 H879 Q880 H881N873-H877 WeakPolarHBondContact O-CB 3.39Å; N873-H877 PolarHBondContact O-CD2 3.02Å; N873-H877 VanDerWaalsContact O-CG 3.27Å; N873-H877 PolarHBondContact O-N 3.37Å; E874-H877 PolarHBondContact O-N 3.24Å; H877-H879 VanDerWaalsContact C-N 3.34Å; H877-Q880 PolarHBondContact O-N 3.24Å; H877-H881 WeakPolarHBondContact O-CB 3.42Å; H877-H881 PolarHBondContact O-N 3.28Å
878L87.7Confident88.3Confident122 Ų12299.7 Ų99.764%0.63949%0.494SS*.Hα-helixtrans-66.4-35.1174.2-74.3170.4000112E874 M875 H881 N882E874-L878 WeakPolarHBondContact O-CB 3.34Å; E874-L878 VanDerWaalsContact O-CG 3.25Å; E874-L878 WeakPolarHBondContact O-CG 3.41Å; E874-L878 PolarHBondContact O-N 3.22Å; M875-L878 PolarHBondContact O-N 3.34Å; L878-H881 PolarHBondContact O-N 3.33Å; L878-N882 VanDerWaalsContact O-CB 3.22Å; L878-N882 WeakPolarHBondContact O-CB 3.37Å; L878-N882 PolarHBondContact O-N 3.42Å
879H86.8Confident88.3Confident131 Ų13199.3 Ų99.361%0.60649%0.492SS*.Hα-helixtrans-70.7-41.2176.4-169.970.8000111.5M875 D876 H877 N882 K883M875-H879 VanDerWaalsContact O-CB 3.26Å; M875-H879 WeakPolarHBondContact O-CB 3.36Å; M875-H879 PolarHBondContact O-N 2.91Å; D876-H879 PolarHBondContact O-N 3.37Å; H877-H879 VanDerWaalsContact C-N 3.34Å; H879-N882 PolarHBondContact O-N 2.85Å; H879-K883 WeakPolarHBondContact O-CB 3.47Å; H879-K883 PolarHBondContact O-N 3.17Å
880Q88.5Confident88.4Confident106 Ų10697.2 Ų97.250%0.49549%0.491SS..Hα-helixtrans-59.9-48.2169.6-178.8-177.9-29.300110.7D876 H877 N882 K883 E884D876-Q880 WeakPolarHBondContact O-CB 3.34Å; D876-Q880 PolarHBondContact O-N 2.89Å; H877-Q880 PolarHBondContact O-N 3.24Å; Q880-N882 VanDerWaalsContact C-N 3.35Å; Q880-N882 PolarHBondContact O-N 3.29Å; Q880-K883 CarbonylContact O-C 3.4Å; Q880-K883 WeakPolarHBondContact O-CA 3.48Å; Q880-K883 WeakPolarHBondContact O-CB 3.5Å; Q880-K883 PolarHBondContact O-N 3.36Å; Q880-K883 VanDerWaalsContact O-N 3.12Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.24Å; Q880-E884 PolarHBondContact NE2-OE1 3.32Å; Q880-E884 WeakPolarHBondContact O-CG 3.31Å; Q880-E884 PolarHBondContact O-N 2.92Å
881H89.1Confident88.3Confident92 Ų92100.2 Ų100.243%0.42650%0.499SS..Hα-helixtrans-64.8-38.3-179.6-168.953.4000112.3H877 L878 K883 E884 L885H877-H881 WeakPolarHBondContact O-CB 3.42Å; H877-H881 PolarHBondContact O-N 3.28Å; L878-H881 PolarHBondContact O-N 3.33Å; H881-K883 VanDerWaalsContact C-N 3.32Å; H881-K883 PolarHBondContact O-N 3.44Å; H881-E884 IonicContact ND1-OE2 2.75Å; H881-E884 PolarHBondContact ND1-OE2 3.42Å; H881-E884 WeakPolarHBondContact O-CB 3.27Å; H881-E884 PolarHBondContact O-N 2.91Å; H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 VanDerWaalsContact O-CG 3.32Å; H881-L885 WeakPolarHBondContact O-CG 3.15Å; H881-L885 PolarHBondContact O-N 2.89Å
882N85.3Confident88.3Confident96 Ų96104.8 Ų104.851%0.51351%0.51SS..Hα-helixtrans-66-34.8173.7-165.7-0.7000111.7L878 H879 Q880 L885 S886L878-N882 VanDerWaalsContact O-CB 3.22Å; L878-N882 WeakPolarHBondContact O-CB 3.37Å; L878-N882 PolarHBondContact O-N 3.42Å; H879-N882 PolarHBondContact O-N 2.85Å; Q880-N882 VanDerWaalsContact C-N 3.35Å; Q880-N882 PolarHBondContact O-N 3.29Å; N882-L885 PolarHBondContact O-N 2.71Å; N882-S886 VanDerWaalsContact O-CB 3.27Å; N882-S886 WeakPolarHBondContact O-CB 3.25Å; N882-S886 PolarHBondContact O-N 3.46Å; N882-S886 PolarHBondContact O-OG 3.28Å
883K89.1Confident88.2Confident147 Ų147106.9 Ų106.964%0.63952%0.516SS*.Hα-helixtrans-67.3-38.3171.7-175179.1179.1-179.60112.5H879 Q880 H881 S887H879-K883 WeakPolarHBondContact O-CB 3.47Å; H879-K883 PolarHBondContact O-N 3.17Å; Q880-K883 CarbonylContact O-C 3.4Å; Q880-K883 WeakPolarHBondContact O-CA 3.48Å; Q880-K883 WeakPolarHBondContact O-CB 3.5Å; Q880-K883 PolarHBondContact O-N 3.36Å; Q880-K883 VanDerWaalsContact O-N 3.12Å; H881-K883 VanDerWaalsContact C-N 3.32Å; H881-K883 PolarHBondContact O-N 3.44Å; K883-S887 WeakPolarHBondContact O-CB 3.42Å; K883-S887 PolarHBondContact O-N 3.5Å; K883-S887 PolarHBondContact O-OG 2.92Å
884E89.6Confident88.1Confident86 Ų86107.6 Ų107.640%0.40253%0.525SS..Hα-helixtrans-65.1-45172.3-70.4165.8-174.500111.3Q880 H881 S887 R888Q880-E884 WeakPolarHBondContact CG-OE1 3.24Å; Q880-E884 PolarHBondContact NE2-OE1 3.32Å; Q880-E884 WeakPolarHBondContact O-CG 3.31Å; Q880-E884 PolarHBondContact O-N 2.92Å; H881-E884 IonicContact ND1-OE2 2.75Å; H881-E884 PolarHBondContact ND1-OE2 3.42Å; H881-E884 WeakPolarHBondContact O-CB 3.27Å; H881-E884 PolarHBondContact O-N 2.91Å; E884-S887 PolarHBondContact O-N 2.8Å; E884-R888 WeakPolarHBondContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CG 3.25Å; E884-R888 PolarHBondContact O-N 3.33Å
885L87.3Confident88.1Confident77 Ų77104.6 Ų104.640%0.40352%0.518SS..Hα-helixtrans-62.6-43.1174.5-72.4172.8000111.9H881 N882 S887 R888 L889H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 VanDerWaalsContact O-CG 3.32Å; H881-L885 WeakPolarHBondContact O-CG 3.15Å; H881-L885 PolarHBondContact O-N 2.89Å; N882-L885 PolarHBondContact O-N 2.71Å; L885-S887 VanDerWaalsContact C-N 3.32Å; L885-S887 PolarHBondContact O-N 2.92Å; L885-R888 CarbonylContact O-C 3.54Å; L885-R888 PolarHBondContact O-N 3.11Å; L885-L889 VanDerWaalsContact O-CB 3.31Å; L885-L889 WeakPolarHBondContact O-CB 3.4Å; L885-L889 PolarHBondContact O-N 2.94Å
886S89.5Confident88.1Confident64 Ų64104.3 Ų104.345%0.44852%0.518SS..Hα-helixtrans-62.7-39175.5-61.60000111.7N882 L889 L890N882-S886 VanDerWaalsContact O-CB 3.27Å; N882-S886 WeakPolarHBondContact O-CB 3.25Å; N882-S886 PolarHBondContact O-N 3.46Å; N882-S886 PolarHBondContact O-OG 3.28Å; S886-L889 PolarHBondContact O-N 3.31Å; S886-L890 WeakPolarHBondContact O-CB 3.26Å; S886-L890 PolarHBondContact O-N 2.8Å
887S88.3Confident88Confident60 Ų60104 Ų10442%0.4252%0.516SS..Hα-helixtrans-66-44.8175.5-550000111.1K883 E884 L885 L889 L890 E891K883-S887 WeakPolarHBondContact O-CB 3.42Å; K883-S887 PolarHBondContact O-N 3.5Å; K883-S887 PolarHBondContact O-OG 2.92Å; E884-S887 PolarHBondContact O-N 2.8Å; L885-S887 VanDerWaalsContact C-N 3.32Å; L885-S887 PolarHBondContact O-N 2.92Å; S887-L889 VanDerWaalsContact C-N 3.29Å; S887-L889 PolarHBondContact O-N 2.86Å; S887-L890 PolarHBondContact O-N 2.78Å; S887-E891 WeakPolarHBondContact O-CG 3.44Å; S887-E891 PolarHBondContact O-N 3.31Å
888R89.2Confident88Confident155 Ų155100.3 Ų100.359%0.58551%0.505SS*.Hα-helixtrans-66.1-28.9174.5-72.817561.3-177.8-2.9113.2E884 L885 R892E884-R888 WeakPolarHBondContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CG 3.25Å; E884-R888 PolarHBondContact O-N 3.33Å; L885-R888 CarbonylContact O-C 3.54Å; L885-R888 PolarHBondContact O-N 3.11Å; R888-R892 WeakPolarHBondContact O-CB 3.22Å; R888-R892 WeakPolarHBondContact O-CG 3.17Å; R888-R892 PolarHBondContact O-N 2.75Å; R888-R892 VanDerWaalsContact O-N 3.11Å
889L87.1Confident87.9Confident99 Ų9999.8 Ų99.852%0.51850%0.501SS..Hα-helixtrans-71.8-46.1174.5-170149.1000109.8L885 S886 S887 E891 R892 E893L885-L889 VanDerWaalsContact O-CB 3.31Å; L885-L889 WeakPolarHBondContact O-CB 3.4Å; L885-L889 PolarHBondContact O-N 2.94Å; S886-L889 PolarHBondContact O-N 3.31Å; S887-L889 VanDerWaalsContact C-N 3.29Å; S887-L889 PolarHBondContact O-N 2.86Å; L889-E891 VanDerWaalsContact C-N 3.34Å; L889-E891 PolarHBondContact O-N 2.9Å; L889-R892 CarbonylContact O-C 3.58Å; L889-R892 WeakPolarHBondContact O-CA 3.32Å; L889-R892 WeakPolarHBondContact O-CB 3.33Å; L889-R892 PolarHBondContact O-N 3.34Å; L889-E893 VanDerWaalsContact CD2-CD 3.46Å; L889-E893 HydrophobicContact CD2-CG 3.97Å; L889-E893 WeakPolarHBondContact CD2-OE1 3.31Å; L889-E893 WeakPolarHBondContact O-CG 3.48Å; L889-E893 PolarHBondContact O-N 2.82Å
890L89.9Confident87.9Confident113 Ų11396.4 Ų96.459%0.59249%0.491SS*.Hα-helixtrans-61.1-38.8173.6-175.467.1000112.6S886 S887 R892 E893 S894S886-L890 WeakPolarHBondContact O-CB 3.26Å; S886-L890 PolarHBondContact O-N 2.8Å; S887-L890 PolarHBondContact O-N 2.78Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 2.79Å; L890-E893 PolarHBondContact O-N 3.46Å; L890-S894 WeakPolarHBondContact O-CB 3.37Å; L890-S894 PolarHBondContact O-N 2.66Å
891E89.1Confident87.7Confident121 Ų12197.6 Ų97.657%0.56549%0.492SS*.Hα-helixtrans-58-44.6170-75.7172177.900111.2S887 L889 S894 A895S887-E891 WeakPolarHBondContact O-CG 3.44Å; S887-E891 PolarHBondContact O-N 3.31Å; L889-E891 VanDerWaalsContact C-N 3.34Å; L889-E891 PolarHBondContact O-N 2.9Å; E891-S894 PolarHBondContact O-N 2.99Å; E891-S894 PolarHBondContact O-OG 3.45Å; E891-A895 WeakPolarHBondContact O-CB 3.4Å; E891-A895 PolarHBondContact O-N 2.97Å
892R86.1Confident87.7Confident182 Ų18298.4 Ų98.469%0.68750%0.496SS*.Hα-helixtrans-71.3-36.9-180-71.1-75.6165.2157.1-2.6112.9R888 L889 L890 A895 L896R888-R892 WeakPolarHBondContact O-CB 3.22Å; R888-R892 WeakPolarHBondContact O-CG 3.17Å; R888-R892 PolarHBondContact O-N 2.75Å; R888-R892 VanDerWaalsContact O-N 3.11Å; L889-R892 CarbonylContact O-C 3.58Å; L889-R892 WeakPolarHBondContact O-CA 3.32Å; L889-R892 WeakPolarHBondContact O-CB 3.33Å; L889-R892 PolarHBondContact O-N 3.34Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 2.79Å; R892-A895 PolarHBondContact O-N 2.87Å; R892-L896 WeakPolarHBondContact O-CB 3.46Å; R892-L896 WeakPolarHBondContact O-CG 3.18Å; R892-L896 PolarHBondContact O-N 3.22Å
893E88.6Confident87.5Confident104 Ų10499 Ų9949%0.48650%0.498SS..Hα-helixtrans-58.9-52.2168.6-72.6176.9149.800109.4L889 L890 A895 L896 D897L889-E893 VanDerWaalsContact CD2-CD 3.46Å; L889-E893 HydrophobicContact CD2-CG 3.97Å; L889-E893 WeakPolarHBondContact CD2-OE1 3.31Å; L889-E893 WeakPolarHBondContact O-CG 3.48Å; L889-E893 PolarHBondContact O-N 2.82Å; L890-E893 PolarHBondContact O-N 3.46Å; E893-A895 PolarHBondContact O-N 3.29Å; E893-L896 CarbonylContact O-C 3.59Å; E893-L896 WeakPolarHBondContact O-CB 3.28Å; E893-L896 PolarHBondContact O-N 3.36Å; E893-L896 VanDerWaalsContact O-N 3.07Å; E893-D897 VanDerWaalsContact O-CB 3.28Å; E893-D897 WeakPolarHBondContact O-CB 3.3Å; E893-D897 PolarHBondContact O-N 3.22Å
894S87.8Confident87.4Confident72 Ų7298.4 Ų98.450%0.50350%0.498SS..Hα-helixtrans-59.3-32.9178.578.60000113.6L890 E891 D897 S898L890-S894 WeakPolarHBondContact O-CB 3.37Å; L890-S894 PolarHBondContact O-N 2.66Å; E891-S894 PolarHBondContact O-N 2.99Å; E891-S894 PolarHBondContact O-OG 3.45Å; S894-D897 WeakPolarHBondContact O-CB 3.39Å; S894-S898 PolarHBondContact O-N 2.89Å
895A88.5Confident87.2Confident36 Ų3699.8 Ų99.830%0.29851%0.507SS..Hα-helixtrans-72.5-42.2174.400000112.5E891 R892 E893 D897 S898 M899E891-A895 WeakPolarHBondContact O-CB 3.4Å; E891-A895 PolarHBondContact O-N 2.97Å; R892-A895 PolarHBondContact O-N 2.87Å; E893-A895 PolarHBondContact O-N 3.29Å; A895-D897 VanDerWaalsContact C-N 3.26Å; A895-D897 PolarHBondContact O-N 2.97Å; A895-S898 WeakPolarHBondContact CA-OG 3.41Å; A895-S898 PolarHBondContact O-N 3.41Å; A895-S898 PolarHBondContact O-OG 2.81Å; A895-M899 WeakPolarHBondContact O-CB 3.46Å; A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.8Å
896L85Confident87Confident110 Ų110102.1 Ų102.158%0.57651%0.514SS*.Hα-helixtrans-62.2-36.9171.5-75168.7000111.2R892 E893 M899 S900R892-L896 WeakPolarHBondContact O-CB 3.46Å; R892-L896 WeakPolarHBondContact O-CG 3.18Å; R892-L896 PolarHBondContact O-N 3.22Å; E893-L896 CarbonylContact O-C 3.59Å; E893-L896 WeakPolarHBondContact O-CB 3.28Å; E893-L896 PolarHBondContact O-N 3.36Å; E893-L896 VanDerWaalsContact O-N 3.07Å; L896-M899 PolarHBondContact O-N 3.37Å; L896-S900 VanDerWaalsContact O-CB 3.28Å; L896-S900 WeakPolarHBondContact O-CB 3.29Å; L896-S900 PolarHBondContact O-N 2.86Å; L896-S900 PolarHBondContact O-OG 3.49Å
897D86.9Confident86.7Confident80 Ų80102.8 Ų102.843%0.42852%0.516SS..Hα-helixtrans-67.1-37.1176.3-141.746.5000111.1E893 S894 A895 R901E893-D897 VanDerWaalsContact O-CB 3.28Å; E893-D897 WeakPolarHBondContact O-CB 3.3Å; E893-D897 PolarHBondContact O-N 3.22Å; S894-D897 WeakPolarHBondContact O-CB 3.39Å; A895-D897 VanDerWaalsContact C-N 3.26Å; A895-D897 PolarHBondContact O-N 2.97Å; D897-R901 VanDerWaalsContact CG-NH1 3.26Å; D897-R901 WeakPolarHBondContact O-CG 3.42Å; D897-R901 PolarHBondContact O-N 2.85Å; D897-R901 PolarHBondContact O-NH1 2.77Å; D897-R901 IonicContact OD2-CZ 3.97Å; D897-R901 IonicContact OD2-NH1 2.67Å; D897-R901 PolarHBondContact OD2-NH1 3.13Å; D897-R901 IonicContact OD2-NH2 2.66Å; D897-R901 PolarHBondContact OD2-NH2 3.39Å
898S87.8Confident86.5Confident54 Ų54102.6 Ų102.638%0.37852%0.515SS..Hα-helixtrans-70-43.9170.562.90000112.4S894 A895 S900 R901 E902S894-S898 PolarHBondContact O-N 2.89Å; A895-S898 WeakPolarHBondContact CA-OG 3.41Å; A895-S898 PolarHBondContact O-N 3.41Å; A895-S898 PolarHBondContact O-OG 2.81Å; S898-S900 VanDerWaalsContact C-N 3.29Å; S898-S900 PolarHBondContact O-N 3.37Å; S898-R901 PolarHBondContact O-N 3.22Å; S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 3.2Å
899M85.8Confident86.3Confident111 Ų111103.4 Ų103.455%0.54752%0.518SS..Hα-helixtrans-65.1-33.2177.8-73.4178.3174.400112A895 L896 E902 L903A895-M899 WeakPolarHBondContact O-CB 3.46Å; A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.8Å; L896-M899 PolarHBondContact O-N 3.37Å; M899-E902 PolarHBondContact O-N 2.61Å; M899-L903 WeakPolarHBondContact O-CB 3.06Å; M899-L903 VanDerWaalsContact O-CG 3.28Å; M899-L903 WeakPolarHBondContact O-CG 3.25Å; M899-L903 PolarHBondContact O-N 2.76Å
900S87Confident86Confident59 Ų59104 Ų10441%0.41352%0.521SS..Hα-helixtrans-67.7-43175.9-59.90000111.1L896 S898 L903 E904L896-S900 VanDerWaalsContact O-CB 3.28Å; L896-S900 WeakPolarHBondContact O-CB 3.29Å; L896-S900 PolarHBondContact O-N 2.86Å; L896-S900 PolarHBondContact O-OG 3.49Å; S898-S900 VanDerWaalsContact C-N 3.29Å; S898-S900 PolarHBondContact O-N 3.37Å; S900-L903 CarbonylContact O-C 3.56Å; S900-L903 PolarHBondContact O-N 2.75Å; S900-E904 WeakPolarHBondContact O-CG 3.48Å; S900-E904 PolarHBondContact O-N 2.74Å
901R85.4Confident85.7Confident132 Ų132102.4 Ų102.450%0.49851%0.513SS..Hα-helixtrans-65-37.2172.5-68.3175.5-170.597.51.5112.4D897 S898 E904 L905D897-R901 VanDerWaalsContact CG-NH1 3.26Å; D897-R901 WeakPolarHBondContact O-CG 3.42Å; D897-R901 PolarHBondContact O-N 2.85Å; D897-R901 PolarHBondContact O-NH1 2.77Å; D897-R901 IonicContact OD2-CZ 3.97Å; D897-R901 IonicContact OD2-NH1 2.67Å; D897-R901 PolarHBondContact OD2-NH1 3.13Å; D897-R901 IonicContact OD2-NH2 2.66Å; D897-R901 PolarHBondContact OD2-NH2 3.39Å; S898-R901 PolarHBondContact O-N 3.22Å; R901-E904 PolarHBondContact O-N 2.78Å; R901-L905 WeakPolarHBondContact O-CB 3.49Å; R901-L905 VanDerWaalsContact O-CG 3.28Å; R901-L905 WeakPolarHBondContact O-CG 3.49Å; R901-L905 PolarHBondContact O-N 3.35Å
902E87.5Confident85.4Confident109 Ų109100.7 Ų100.751%0.50951%0.511SS..Hα-helixtrans-63.8-42171.6-74-177.5-17800111.4S898 M899 L905 F906S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 3.2Å; M899-E902 PolarHBondContact O-N 2.61Å; E902-L905 CarbonylContact O-C 3.43Å; E902-L905 WeakPolarHBondContact O-CB 3.44Å; E902-L905 PolarHBondContact O-N 2.85Å; E902-F906 HydrophobicContact CB-CD2 4.46Å; E902-F906 HydrophobicContact CB-CE2 4.35Å; E902-F906 WeakPolarHBondContact O-CD2 3.45Å; E902-F906 PolarHBondContact O-N 2.77Å
903L82.7Confident84.9Confident108 Ų10896 Ų9657%0.56550%0.503SS*.Hα-helixtrans-65.9-36.7174.9-75169.4000112.7M899 S900 F906 T907M899-L903 WeakPolarHBondContact O-CB 3.06Å; M899-L903 VanDerWaalsContact O-CG 3.28Å; M899-L903 WeakPolarHBondContact O-CG 3.25Å; M899-L903 PolarHBondContact O-N 2.76Å; S900-L903 CarbonylContact O-C 3.56Å; S900-L903 PolarHBondContact O-N 2.75Å; L903-F906 PolarHBondContact O-N 3.38Å; L903-T907 VanDerWaalsContact O-CB 3.26Å; L903-T907 WeakPolarHBondContact O-CB 3.45Å; L903-T907 PolarHBondContact O-N 3.04Å; L903-T907 PolarHBondContact O-OG1 2.75Å
904E85.8Confident84.6Confident135 Ų13593.8 Ų93.863%0.63150%0.498SS*.Hα-helixtrans-64.2-39.9170.3-73.4179.4154.500111.6S900 R901 T907 S908S900-E904 WeakPolarHBondContact O-CG 3.48Å; S900-E904 PolarHBondContact O-N 2.74Å; R901-E904 PolarHBondContact O-N 2.78Å; E904-T907 PolarHBondContact O-N 2.89Å; E904-S908 WeakPolarHBondContact O-CB 3.32Å; E904-S908 PolarHBondContact O-N 3.33Å; E904-S908 PolarHBondContact O-OG 3.23Å
905L86.2Confident84.2Confident115 Ų11596.2 Ų96.260%0.60250%0.5SS*.Hα-helixtrans-67.6-37.1174-73.3169.4000112.5R901 E902 S908 R909R901-L905 WeakPolarHBondContact O-CB 3.49Å; R901-L905 VanDerWaalsContact O-CG 3.28Å; R901-L905 WeakPolarHBondContact O-CG 3.49Å; R901-L905 PolarHBondContact O-N 3.35Å; E902-L905 CarbonylContact O-C 3.43Å; E902-L905 WeakPolarHBondContact O-CB 3.44Å; E902-L905 PolarHBondContact O-N 2.85Å; L905-S908 WeakPolarHBondContact CA-OG 3.4Å; L905-S908 PolarHBondContact O-OG 3.43Å; L905-R909 WeakPolarHBondContact O-CB 3.35Å; L905-R909 PolarHBondContact O-N 3.34Å
906F82.2Confident83.8Confident125 Ų12597.1 Ų97.155%0.54850%0.504SS..Hα-helixtrans-70.8-37.2172.7-75.7-60.5000112.2E902 L903 R909 L910E902-F906 HydrophobicContact CB-CD2 4.46Å; E902-F906 HydrophobicContact CB-CE2 4.35Å; E902-F906 WeakPolarHBondContact O-CD2 3.45Å; E902-F906 PolarHBondContact O-N 2.77Å; L903-F906 PolarHBondContact O-N 3.38Å; F906-R909 WeakPolarHBondContact O-CB 3.19Å; F906-R909 PolarHBondContact O-N 3.38Å; F906-L910 WeakPolarHBondContact O-CB 3.46Å; F906-L910 PolarHBondContact O-N 2.81Å
907T84.3Confident83.5Confident79 Ų7996.3 Ų96.349%0.48550%0.5SS..Hα-helixtrans-69.9-45.8178-56.80000111L903 E904 R909 L910 D911L903-T907 VanDerWaalsContact O-CB 3.26Å; L903-T907 WeakPolarHBondContact O-CB 3.45Å; L903-T907 PolarHBondContact O-N 3.04Å; L903-T907 PolarHBondContact O-OG1 2.75Å; E904-T907 PolarHBondContact O-N 2.89Å; T907-R909 VanDerWaalsContact C-N 3.32Å; T907-R909 PolarHBondContact O-N 2.97Å; T907-L910 CarbonylContact O-C 3.57Å; T907-L910 WeakPolarHBondContact O-CA 3.44Å; T907-L910 WeakPolarHBondContact O-CB 3.49Å; T907-L910 PolarHBondContact O-N 2.89Å; T907-L910 VanDerWaalsContact O-N 3.08Å; T907-D911 PolarHBondContact O-N 3.48Å
908S83.2Confident83.1Confident56 Ų5696 Ų9639%0.39250%0.501SS..Hα-helixtrans-64.1-35.5173.856.10000112.3E904 L905 T912E904-S908 WeakPolarHBondContact O-CB 3.32Å; E904-S908 PolarHBondContact O-N 3.33Å; E904-S908 PolarHBondContact O-OG 3.23Å; L905-S908 WeakPolarHBondContact CA-OG 3.4Å; L905-S908 PolarHBondContact O-OG 3.43Å; S908-T912 WeakPolarHBondContact O-CG2 3.45Å; S908-T912 PolarHBondContact O-N 3.34Å; S908-T912 PolarHBondContact O-OG1 2.78Å
909R85.7Confident82.7Confident172 Ų17299.2 Ų99.265%0.64951%0.51SS*.Hα-helixtrans-59.8-49.5166.6-94.1179.5147.6172.8-6.4111.8L905 F906 T907 D911 T912 T913L905-R909 WeakPolarHBondContact O-CB 3.35Å; L905-R909 PolarHBondContact O-N 3.34Å; F906-R909 WeakPolarHBondContact O-CB 3.19Å; F906-R909 PolarHBondContact O-N 3.38Å; T907-R909 VanDerWaalsContact C-N 3.32Å; T907-R909 PolarHBondContact O-N 2.97Å; R909-D911 VanDerWaalsContact C-N 3.31Å; R909-D911 PolarHBondContact O-N 3.37Å; R909-T912 WeakPolarHBondContact CA-OG1 3.5Å; R909-T912 PolarHBondContact O-N 3.42Å; R909-T912 VanDerWaalsContact O-N 3.07Å; R909-T912 PolarHBondContact O-OG1 3.02Å; R909-T913 PolarHBondContact O-N 2.61Å; R909-T913 PolarHBondContact O-OG1 2.81Å
910L81.6Confident82.3Confident111 Ų11197.3 Ų97.358%0.58151%0.505SS*.Hα-helixtrans-59.7-41.7-179.7-170.5137.1000111.3F906 T907 T913 S914F906-L910 WeakPolarHBondContact O-CB 3.46Å; F906-L910 PolarHBondContact O-N 2.81Å; T907-L910 CarbonylContact O-C 3.57Å; T907-L910 WeakPolarHBondContact O-CA 3.44Å; T907-L910 WeakPolarHBondContact O-CB 3.49Å; T907-L910 PolarHBondContact O-N 2.89Å; T907-L910 VanDerWaalsContact O-N 3.08Å; L910-T913 VanDerWaalsContact CA-OG1 3.32Å; L910-T913 WeakPolarHBondContact CA-OG1 3.38Å; L910-T913 PolarHBondContact O-N 3.09Å; L910-T913 PolarHBondContact O-OG1 3.24Å; L910-S914 WeakPolarHBondContact O-CB 3.42Å; L910-S914 PolarHBondContact O-N 3.47Å
911D81.9Confident81.8Confident80 Ų8099.1 Ų99.143%0.42851%0.507SS..Hα-helixtrans-61-43171.4-85.9-8.6000112.7T907 R909 S914 K915T907-D911 PolarHBondContact O-N 3.48Å; R909-D911 VanDerWaalsContact C-N 3.31Å; R909-D911 PolarHBondContact O-N 3.37Å; D911-S914 PolarHBondContact O-N 2.94Å; D911-K915 WeakPolarHBondContact O-CB 3.39Å; D911-K915 VanDerWaalsContact O-CG 3.3Å; D911-K915 WeakPolarHBondContact O-CG 3.48Å; D911-K915 PolarHBondContact O-N 3.35Å
912T82.7Confident81.5Confident85 Ų8595.6 Ų95.652%0.52151%0.505SS..Hα-helixtrans-67-39.4175.656.30000112.2S908 R909 K915 S916S908-T912 WeakPolarHBondContact O-CG2 3.45Å; S908-T912 PolarHBondContact O-N 3.34Å; S908-T912 PolarHBondContact O-OG1 2.78Å; R909-T912 WeakPolarHBondContact CA-OG1 3.5Å; R909-T912 PolarHBondContact O-N 3.42Å; R909-T912 VanDerWaalsContact O-N 3.07Å; R909-T912 PolarHBondContact O-OG1 3.02Å; T912-K915 PolarHBondContact O-N 3.12Å; T912-S916 PolarHBondContact O-N 3.44Å; T912-S916 PolarHBondContact O-OG 2.77Å
913T77Confident81Confident84 Ų8496.5 Ų96.552%0.51551%0.509SS..Hα-helixtrans-68.9-36.517549.90000111.9R909 L910 S916 L917R909-T913 PolarHBondContact O-N 2.61Å; R909-T913 PolarHBondContact O-OG1 2.81Å; L910-T913 VanDerWaalsContact CA-OG1 3.32Å; L910-T913 WeakPolarHBondContact CA-OG1 3.38Å; L910-T913 PolarHBondContact O-N 3.09Å; L910-T913 PolarHBondContact O-OG1 3.24Å; T913-S916 WeakPolarHBondContact CA-OG 3.44Å; T913-S916 PolarHBondContact O-N 2.93Å; T913-S916 PolarHBondContact O-OG 3.2Å; T913-L917 VanDerWaalsContact O-CB 3.32Å; T913-L917 WeakPolarHBondContact O-CB 3.35Å; T913-L917 PolarHBondContact O-N 2.81Å
914S81.4Confident80.8Confident57 Ų5797 Ų9740%0.39951%0.512SS..Hα-helixtrans-64.8-45.1175.5-177.10000111L910 D911 L917 T918L910-S914 WeakPolarHBondContact O-CB 3.42Å; L910-S914 PolarHBondContact O-N 3.47Å; D911-S914 PolarHBondContact O-N 2.94Å; S914-L917 WeakPolarHBondContact O-CB 3.31Å; S914-L917 PolarHBondContact O-N 2.75Å; S914-T918 WeakPolarHBondContact O-CG2 3.37Å; S914-T918 PolarHBondContact O-N 3.28Å; S914-T918 PolarHBondContact O-OG1 3.04Å
915K80.3Confident80.5Confident123 Ų12396 Ų9654%0.53551%0.511SS..Hα-helixtrans-58.3-51.6171.8-75.1165.9-174.81650111.4D911 T912 L917 T918 E919D911-K915 WeakPolarHBondContact O-CB 3.39Å; D911-K915 VanDerWaalsContact O-CG 3.3Å; D911-K915 WeakPolarHBondContact O-CG 3.48Å; D911-K915 PolarHBondContact O-N 3.35Å; T912-K915 PolarHBondContact O-N 3.12Å; K915-L917 PolarHBondContact O-N 2.65Å; K915-T918 WeakPolarHBondContact CA-OG1 3.26Å; K915-T918 PolarHBondContact O-N 2.83Å; K915-T918 VanDerWaalsContact O-N 3.14Å; K915-T918 PolarHBondContact O-OG1 2.85Å; K915-E919 WeakPolarHBondContact O-CB 3.4Å; K915-E919 WeakPolarHBondContact O-CG 3.35Å; K915-E919 PolarHBondContact O-N 3.48Å
916S78.5Confident80.1Confident55 Ų5595.5 Ų95.539%0.38551%0.505SS..Hα-helixtrans-61.1-32.4176.867.80000112.9T912 T913 E919 T920T912-S916 PolarHBondContact O-N 3.44Å; T912-S916 PolarHBondContact O-OG 2.77Å; T913-S916 WeakPolarHBondContact CA-OG 3.44Å; T913-S916 PolarHBondContact O-N 2.93Å; T913-S916 PolarHBondContact O-OG 3.2Å; S916-E919 PolarHBondContact O-N 2.82Å; S916-T920 WeakPolarHBondContact O-CG2 3.5Å; S916-T920 PolarHBondContact O-N 3.2Å; S916-T920 PolarHBondContact O-OG1 2.85Å
917L78.8Confident79.8Confident93 Ų9393.3 Ų93.349%0.48750%0.502SS..Hα-helixtrans-66.3-51.7174-176.265.3000109.9T913 S914 K915 E919 T920 E921T913-L917 VanDerWaalsContact O-CB 3.32Å; T913-L917 WeakPolarHBondContact O-CB 3.35Å; T913-L917 PolarHBondContact O-N 2.81Å; S914-L917 WeakPolarHBondContact O-CB 3.31Å; S914-L917 PolarHBondContact O-N 2.75Å; K915-L917 PolarHBondContact O-N 2.65Å; L917-E919 PolarHBondContact O-N 2.91Å; L917-T920 WeakPolarHBondContact CA-OG1 3.32Å; L917-T920 CarbonylContact O-C 3.6Å; L917-T920 PolarHBondContact O-N 3.27Å; L917-T920 PolarHBondContact O-OG1 2.88Å; L917-E921 HydrophobicContact CG-CG 4.42Å; L917-E921 WeakPolarHBondContact O-CB 3.09Å; L917-E921 WeakPolarHBondContact O-CG 3.45Å; L917-E921 PolarHBondContact O-N 3.09Å
918T80.1Confident79.5Confident73 Ų7394.7 Ų94.745%0.44850%0.501SS..Hα-helixtrans-61.9-30.317757.70000113.4S914 K915 A922S914-T918 WeakPolarHBondContact O-CG2 3.37Å; S914-T918 PolarHBondContact O-N 3.28Å; S914-T918 PolarHBondContact O-OG1 3.04Å; K915-T918 WeakPolarHBondContact CA-OG1 3.26Å; K915-T918 PolarHBondContact O-N 2.83Å; K915-T918 VanDerWaalsContact O-N 3.14Å; K915-T918 PolarHBondContact O-OG1 2.85Å; T918-A922 WeakPolarHBondContact O-CB 2.96Å; T918-A922 PolarHBondContact O-N 2.87Å
919E79.3Confident79.3Confident122 Ų12297.3 Ų97.357%0.5751%0.507SS*.Hα-helixtrans-67.9-47.9171.5-72.4166.8172.200110.4K915 S916 L917 E921 A922 E923K915-E919 WeakPolarHBondContact O-CB 3.4Å; K915-E919 WeakPolarHBondContact O-CG 3.35Å; K915-E919 PolarHBondContact O-N 3.48Å; S916-E919 PolarHBondContact O-N 2.82Å; L917-E919 PolarHBondContact O-N 2.91Å; E919-E921 VanDerWaalsContact C-N 3.33Å; E919-E921 PolarHBondContact O-N 3.32Å; E919-A922 WeakPolarHBondContact O-CB 3.12Å; E919-A922 PolarHBondContact O-N 2.97Å; E919-E923 WeakPolarHBondContact O-CG 3.37Å; E919-E923 PolarHBondContact O-N 3.28Å
920T77.5Confident78.9Confident71 Ų7194.2 Ų94.244%0.43650%0.499SS..Hα-helixtrans-66.6-29.1174.158.50000113.8S916 L917 L924S916-T920 WeakPolarHBondContact O-CG2 3.5Å; S916-T920 PolarHBondContact O-N 3.2Å; S916-T920 PolarHBondContact O-OG1 2.85Å; L917-T920 WeakPolarHBondContact CA-OG1 3.32Å; L917-T920 CarbonylContact O-C 3.6Å; L917-T920 PolarHBondContact O-N 3.27Å; L917-T920 PolarHBondContact O-OG1 2.88Å; T920-L924 VanDerWaalsContact O-CB 3.27Å; T920-L924 WeakPolarHBondContact O-CB 3.44Å; T920-L924 PolarHBondContact O-N 2.84Å
921E76.3Confident78.7Confident97 Ų9795.9 Ų95.945%0.45350%0.498SS..Hα-helixtrans-72.4-36172.7-73.4-179.8153.300111.2L917 E919 L924 L925L917-E921 HydrophobicContact CG-CG 4.42Å; L917-E921 WeakPolarHBondContact O-CB 3.09Å; L917-E921 WeakPolarHBondContact O-CG 3.45Å; L917-E921 PolarHBondContact O-N 3.09Å; E919-E921 VanDerWaalsContact C-N 3.33Å; E919-E921 PolarHBondContact O-N 3.32Å; E921-L924 PolarHBondContact O-N 3.46Å; E921-L925 WeakPolarHBondContact O-CB 3.34Å; E921-L925 VanDerWaalsContact O-CG 3.3Å; E921-L925 WeakPolarHBondContact O-CG 3.48Å; E921-L925 PolarHBondContact O-N 3.5Å
922A77.8Confident78.5Confident57 Ų5796.1 Ų96.147%0.47150%0.497SS..Hα-helixtrans-66.5-41.8170.800000111.5T918 E919 L925 E926T918-A922 WeakPolarHBondContact O-CB 2.96Å; T918-A922 PolarHBondContact O-N 2.87Å; E919-A922 WeakPolarHBondContact O-CB 3.12Å; E919-A922 PolarHBondContact O-N 2.97Å; A922-L925 PolarHBondContact O-N 2.77Å; A922-E926 WeakPolarHBondContact O-CB 3.36Å; A922-E926 PolarHBondContact O-N 2.77Å
923E78.4Confident78.2Confident128 Ų12896.4 Ų96.460%0.59849%0.494SS*.Hα-helixtrans-63.7-38171.2-70.8-175.6167.700112E919 E926 T927E919-E923 WeakPolarHBondContact O-CG 3.37Å; E919-E923 PolarHBondContact O-N 3.28Å; E923-E926 PolarHBondContact O-N 2.85Å; E923-T927 WeakPolarHBondContact O-CB 3.49Å; E923-T927 WeakPolarHBondContact O-CG2 3.39Å; E923-T927 PolarHBondContact O-N 3.42Å; E923-T927 PolarHBondContact O-OG1 2.69Å
924L77.6Confident78.1Confident118 Ų11896 Ų9662%0.61850%0.495SS*.Hα-helixtrans-64.5-41.8174.1-166.188.6000111.2T920 E921 T927 K928T920-L924 VanDerWaalsContact O-CB 3.27Å; T920-L924 WeakPolarHBondContact O-CB 3.44Å; T920-L924 PolarHBondContact O-N 2.84Å; E921-L924 PolarHBondContact O-N 3.46Å; L924-T927 WeakPolarHBondContact CA-OG1 3.49Å; L924-T927 PolarHBondContact O-OG1 3.46Å; L924-T927 VanDerWaalsContact O-OG1 3.08Å; L924-K928 WeakPolarHBondContact O-CB 3.28Å; L924-K928 PolarHBondContact O-N 2.8Å
925L78.9Confident77.8Confident115 Ų11597.6 Ų97.660%0.60250%0.496SS*.Hα-helixtrans-68.5-39.3175.6-75170.4000111.9E921 A922 K928 H929E921-L925 WeakPolarHBondContact O-CB 3.34Å; E921-L925 VanDerWaalsContact O-CG 3.3Å; E921-L925 WeakPolarHBondContact O-CG 3.48Å; E921-L925 PolarHBondContact O-N 3.5Å; A922-L925 PolarHBondContact O-N 2.77Å; L925-K928 PolarHBondContact O-N 3.19Å; L925-H929 WeakPolarHBondContact O-CB 3.47Å; L925-H929 PolarHBondContact O-N 3.08Å
926E77.9Confident77.5Confident105 Ų10594.5 Ų94.549%0.49149%0.493SS..Hα-helixtrans-69.9-39.4177.2-153.6-144.9168.400111.5A922 E923 H929 K930A922-E926 WeakPolarHBondContact O-CB 3.36Å; A922-E926 PolarHBondContact O-N 2.77Å; E923-E926 PolarHBondContact O-N 2.85Å; E926-H929 PolarHBondContact O-N 2.87Å; E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 WeakPolarHBondContact O-CD 3.29Å; E926-K930 WeakPolarHBondContact O-CG 3.19Å; E926-K930 PolarHBondContact O-N 3.36Å; E926-K930 WeakPolarHBondContact OE1-CE 3.28Å; E926-K930 IonicContact OE1-NZ 2.68Å; E926-K930 PolarHBondContact OE1-NZ 2.86Å; E926-K930 IonicContact OE2-NZ 3.41Å; E926-K930 PolarHBondContact OE2-NZ 2.77Å
927T77Confident77.4Confident78 Ų7898.9 Ų98.948%0.47951%0.506SS..Hα-helixtrans-69.3-36.1173.151.50000112.3E923 L924 K930 Y931E923-T927 WeakPolarHBondContact O-CB 3.49Å; E923-T927 WeakPolarHBondContact O-CG2 3.39Å; E923-T927 PolarHBondContact O-N 3.42Å; E923-T927 PolarHBondContact O-OG1 2.69Å; L924-T927 WeakPolarHBondContact CA-OG1 3.49Å; L924-T927 PolarHBondContact O-OG1 3.46Å; L924-T927 VanDerWaalsContact O-OG1 3.08Å; T927-K930 PolarHBondContact O-N 3.25Å; T927-Y931 WeakPolarHBondContact O-CB 3.36Å; T927-Y931 PolarHBondContact O-N 2.96Å
928K77.1Confident77.1Confident109 Ų10997 Ų9747%0.47450%0.503SS..Hα-helixtrans-63.4-43.8170.3-175.2173.6-174.7-81.90111.7L924 L925 K930 Y931 E932L924-K928 WeakPolarHBondContact O-CB 3.28Å; L924-K928 PolarHBondContact O-N 2.8Å; L925-K928 PolarHBondContact O-N 3.19Å; K928-K930 PolarHBondContact O-N 3.36Å; K928-Y931 CarbonylContact O-C 3.56Å; K928-Y931 WeakPolarHBondContact O-CB 3.41Å; K928-Y931 PolarHBondContact O-N 3.07Å; K928-Y931 VanDerWaalsContact O-N 3.15Å; K928-E932 WeakPolarHBondContact CE-OE1 3.31Å; K928-E932 IonicContact NZ-OE1 2.73Å; K928-E932 PolarHBondContact NZ-OE1 3.34Å; K928-E932 WeakPolarHBondContact O-CB 3.44Å; K928-E932 WeakPolarHBondContact O-CG 3.33Å; K928-E932 PolarHBondContact O-N 2.9Å
929H78.5Confident76.7Confident111 Ų11196.6 Ų96.651%0.51450%0.499SS..Hα-helixtrans-66.9-35.3175.6-171.6-100.2000112.1L925 E926 L933L925-H929 WeakPolarHBondContact O-CB 3.47Å; L925-H929 PolarHBondContact O-N 3.08Å; E926-H929 PolarHBondContact O-N 2.87Å; H929-L933 WeakPolarHBondContact O-CB 3.33Å; H929-L933 WeakPolarHBondContact O-CG 3.45Å; H929-L933 PolarHBondContact O-N 3.1Å
930K78.8Confident76.4Confident107 Ų10797.1 Ų97.147%0.46550%0.499SS..Hα-helixtrans-64.4-38.2169.6-73.4161.8-177.9167.90112E926 T927 K928 S934E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 WeakPolarHBondContact O-CD 3.29Å; E926-K930 WeakPolarHBondContact O-CG 3.19Å; E926-K930 PolarHBondContact O-N 3.36Å; E926-K930 WeakPolarHBondContact OE1-CE 3.28Å; E926-K930 IonicContact OE1-NZ 2.68Å; E926-K930 PolarHBondContact OE1-NZ 2.86Å; E926-K930 IonicContact OE2-NZ 3.41Å; E926-K930 PolarHBondContact OE2-NZ 2.77Å; T927-K930 PolarHBondContact O-N 3.25Å; K928-K930 PolarHBondContact O-N 3.36Å; K930-S934 WeakPolarHBondContact O-CB 3.48Å; K930-S934 PolarHBondContact O-N 2.83Å
931Y77Confident76.1Confident146 Ų14699.8 Ų99.857%0.57351%0.507SS*.Hα-helixtrans-66.7-48.4173.8177.4-86.6000111.4T927 K928 L933 S934 E935T927-Y931 WeakPolarHBondContact O-CB 3.36Å; T927-Y931 PolarHBondContact O-N 2.96Å; K928-Y931 CarbonylContact O-C 3.56Å; K928-Y931 WeakPolarHBondContact O-CB 3.41Å; K928-Y931 PolarHBondContact O-N 3.07Å; K928-Y931 VanDerWaalsContact O-N 3.15Å; Y931-L933 VanDerWaalsContact C-N 3.32Å; Y931-L933 PolarHBondContact O-N 2.86Å; Y931-S934 CarbonylContact O-C 3.6Å; Y931-S934 WeakPolarHBondContact O-CA 3.38Å; Y931-S934 VanDerWaalsContact O-CB 3.3Å; Y931-S934 WeakPolarHBondContact O-CB 3.47Å; Y931-S934 PolarHBondContact O-N 3.29Å; Y931-E935 HydrophobicContact CE1-CB 4.38Å; Y931-E935 VanDerWaalsContact CE1-OE2 3.32Å; Y931-E935 WeakPolarHBondContact CE1-OE2 3.35Å; Y931-E935 PolarHBondContact O-N 3.23Å
932E77.9Confident75.8Confident85 Ų85101 Ų10140%0.39751%0.51SS..Hα-helixtrans-60.5-38.6176.7-72.6169.1-177.900111.7K928 S934 E935 A936K928-E932 WeakPolarHBondContact CE-OE1 3.31Å; K928-E932 IonicContact NZ-OE1 2.73Å; K928-E932 PolarHBondContact NZ-OE1 3.34Å; K928-E932 WeakPolarHBondContact O-CB 3.44Å; K928-E932 WeakPolarHBondContact O-CG 3.33Å; K928-E932 PolarHBondContact O-N 2.9Å; E932-S934 VanDerWaalsContact C-N 3.32Å; E932-S934 PolarHBondContact O-N 3.34Å; E932-E935 PolarHBondContact O-N 3.49Å; E932-A936 VanDerWaalsContact O-CB 3.27Å; E932-A936 WeakPolarHBondContact O-CB 3.48Å; E932-A936 PolarHBondContact O-N 3.43Å
933L76.7Confident75.2Confident90 Ų90101.8 Ų101.847%0.47151%0.506SS..Hα-helixtrans-66.2-30.2170.4-80.8168.8000113.6H929 Y931 K937H929-L933 WeakPolarHBondContact O-CB 3.33Å; H929-L933 WeakPolarHBondContact O-CG 3.45Å; H929-L933 PolarHBondContact O-N 3.1Å; Y931-L933 VanDerWaalsContact C-N 3.32Å; Y931-L933 PolarHBondContact O-N 2.86Å; L933-K937 VanDerWaalsContact O-CG 3.31Å; L933-K937 WeakPolarHBondContact O-CG 3.41Å; L933-K937 PolarHBondContact O-N 3.23Å
934S74.3Confident74.8Confident76 Ų7699.6 Ų99.653%0.53150%0.496SS..Hα-helixtrans-75.8-40.2174.5-167.10000111.5K930 Y931 E932 K937 A938K930-S934 WeakPolarHBondContact O-CB 3.48Å; K930-S934 PolarHBondContact O-N 2.83Å; Y931-S934 CarbonylContact O-C 3.6Å; Y931-S934 WeakPolarHBondContact O-CA 3.38Å; Y931-S934 VanDerWaalsContact O-CB 3.3Å; Y931-S934 WeakPolarHBondContact O-CB 3.47Å; Y931-S934 PolarHBondContact O-N 3.29Å; E932-S934 VanDerWaalsContact C-N 3.32Å; E932-S934 PolarHBondContact O-N 3.34Å; S934-K937 PolarHBondContact O-N 2.84Å; S934-A938 WeakPolarHBondContact O-CB 3.22Å; S934-A938 PolarHBondContact O-N 3.44Å
935E74.8Confident73.9Confident90 Ų9099.5 Ų99.542%0.42150%0.496SS..Hα-helixtrans-67.5-38.3175.1-178163.3-148.200111.5Y931 E932 K937 A938 N939Y931-E935 HydrophobicContact CE1-CB 4.38Å; Y931-E935 VanDerWaalsContact CE1-OE2 3.32Å; Y931-E935 WeakPolarHBondContact CE1-OE2 3.35Å; Y931-E935 PolarHBondContact O-N 3.23Å; E932-E935 PolarHBondContact O-N 3.49Å; E935-K937 VanDerWaalsContact C-N 3.35Å; E935-K937 PolarHBondContact O-N 3.05Å; E935-A938 PolarHBondContact O-N 2.97Å; E935-N939 WeakPolarHBondContact CG-ND2 3.49Å; E935-N939 WeakPolarHBondContact O-CB 3.43Å; E935-N939 PolarHBondContact O-N 2.9Å; E935-N939 PolarHBondContact O-ND2 3.34Å; E935-N939 VanDerWaalsContact O-ND2 3.09Å
936A75Confident73.3Confident58 Ų5898.5 Ų98.548%0.47949%0.487SS..Hα-helixtrans-62-39.8170.900000112.2E932 K940E932-A936 VanDerWaalsContact O-CB 3.27Å; E932-A936 WeakPolarHBondContact O-CB 3.48Å; E932-A936 PolarHBondContact O-N 3.43Å; A936-K940 WeakPolarHBondContact O-CB 3.28Å; A936-K940 PolarHBondContact O-N 2.8Å
937K76.5Confident72.6Confident147 Ų14799.9 Ų99.964%0.63949%0.493SS*.Hα-helixtrans-66.5-43.7173.6-76.1170.6-178.2175.20112.2L933 S934 E935 K940 Q941L933-K937 VanDerWaalsContact O-CG 3.31Å; L933-K937 WeakPolarHBondContact O-CG 3.41Å; L933-K937 PolarHBondContact O-N 3.23Å; S934-K937 PolarHBondContact O-N 2.84Å; E935-K937 VanDerWaalsContact C-N 3.35Å; E935-K937 PolarHBondContact O-N 3.05Å; K937-K940 PolarHBondContact O-N 3.33Å; K937-Q941 WeakPolarHBondContact O-CG 3.26Å; K937-Q941 PolarHBondContact O-N 3.35Å
938A71.9Confident71.6Confident53 Ų53104.2 Ų104.244%0.43850%0.502SS..Hα-helixtrans-63.7-43.3177.300000111.9S934 E935 Q941 K942S934-A938 WeakPolarHBondContact O-CB 3.22Å; S934-A938 PolarHBondContact O-N 3.44Å; E935-A938 PolarHBondContact O-N 2.97Å; A938-Q941 PolarHBondContact O-N 2.87Å; A938-K942 WeakPolarHBondContact O-CB 3.48Å; A938-K942 PolarHBondContact O-N 2.67Å
939N70.3Confident70.8Confident66 Ų66105.3 Ų105.335%0.35351%0.509SS..Hα-helixtrans-66.8-36.6175.1-76.9-49.7000112.1E935 Q941 K942 D943E935-N939 WeakPolarHBondContact CG-ND2 3.49Å; E935-N939 WeakPolarHBondContact O-CB 3.43Å; E935-N939 PolarHBondContact O-N 2.9Å; E935-N939 PolarHBondContact O-ND2 3.34Å; E935-N939 VanDerWaalsContact O-ND2 3.09Å; N939-Q941 PolarHBondContact O-N 2.6Å; N939-K942 WeakPolarHBondContact O-CB 3.47Å; N939-K942 PolarHBondContact O-N 2.87Å; N939-D943 PolarHBondContact O-N 2.82Å
940K74.3Confident69.9Low132 Ų132105.1 Ų105.157%0.57451%0.51SS*.Hα-helixtrans-62.1-44.2172.7-163.9-176.8-176.1-109.80112.1A936 K937 K942 D943 E944A936-K940 WeakPolarHBondContact O-CB 3.28Å; A936-K940 PolarHBondContact O-N 2.8Å; K937-K940 PolarHBondContact O-N 3.33Å; K940-K942 VanDerWaalsContact C-N 3.28Å; K940-K942 PolarHBondContact O-N 3.49Å; K940-D943 PolarHBondContact O-N 2.79Å; K940-E944 WeakPolarHBondContact CE-OE1 3.2Å; K940-E944 IonicContact NZ-OE1 3.59Å; K940-E944 PolarHBondContact NZ-OE1 3.01Å; K940-E944 WeakPolarHBondContact O-CB 3.22Å; K940-E944 WeakPolarHBondContact O-CG 3.38Å; K940-E944 PolarHBondContact O-N 3.34Å
941Q70.3Confident69Low128 Ų128103.6 Ų103.660%0.59851%0.51SS*.Hα-helixtrans-64-33.9175-72.1178-3000112.4K937 A938 N939 L945K937-Q941 WeakPolarHBondContact O-CG 3.26Å; K937-Q941 PolarHBondContact O-N 3.35Å; A938-Q941 PolarHBondContact O-N 2.87Å; N939-Q941 PolarHBondContact O-N 2.6Å; Q941-L945 WeakPolarHBondContact O-CG 3.15Å; Q941-L945 PolarHBondContact O-N 3.19Å
942K70.5Confident67.7Low121 Ų121102.7 Ų102.753%0.52651%0.514SS..Hα-helixtrans-67.8-36.4174.6-170.8179.2-176.7178.70112.6A938 N939 K940 K946A938-K942 WeakPolarHBondContact O-CB 3.48Å; A938-K942 PolarHBondContact O-N 2.67Å; N939-K942 WeakPolarHBondContact O-CB 3.47Å; N939-K942 PolarHBondContact O-N 2.87Å; K940-K942 VanDerWaalsContact C-N 3.28Å; K940-K942 PolarHBondContact O-N 3.49Å; K942-K946 WeakPolarHBondContact O-CG 3.01Å; K942-K946 PolarHBondContact O-N 3.18Å; K942-K946 VanDerWaalsContact O-N 3.13Å
943D66.3Low66.5Low74 Ų74102.3 Ų102.340%0.39652%0.521SS..Hα-helixtrans-80.4-30.8175.7-71-25.8000112.7N939 K940 L945 K946 Q947N939-D943 PolarHBondContact O-N 2.82Å; K940-D943 PolarHBondContact O-N 2.79Å; D943-L945 VanDerWaalsContact C-N 3.33Å; D943-K946 PolarHBondContact O-N 3.03Å; D943-K946 WeakPolarHBondContact OD1-CD 3.35Å; D943-K946 WeakPolarHBondContact OD1-CE 3.45Å; D943-K946 IonicContact OD1-NZ 3.86Å; D943-K946 PolarHBondContact OD1-NZ 2.76Å; D943-Q947 WeakPolarHBondContact O-CG 3.43Å; D943-Q947 PolarHBondContact O-N 3.3Å
944E68.3Low65.2Low82 Ų82100.9 Ų100.938%0.38352%0.519SS..Hα-helixtrans-61.6-41167-73.9168-178.600110.8K940 Q947 Y948K940-E944 WeakPolarHBondContact CE-OE1 3.2Å; K940-E944 IonicContact NZ-OE1 3.59Å; K940-E944 PolarHBondContact NZ-OE1 3.01Å; K940-E944 WeakPolarHBondContact O-CB 3.22Å; K940-E944 WeakPolarHBondContact O-CG 3.38Å; K940-E944 PolarHBondContact O-N 3.34Å; E944-Q947 PolarHBondContact O-N 2.79Å; E944-Y948 WeakPolarHBondContact O-CD2 3.15Å; E944-Y948 PolarHBondContact O-N 2.96Å
945L60.2Low63.8Low116 Ų116103.2 Ų103.261%0.60753%0.525SS*.Hα-helixtrans-61.1-44.9171-83.6165.8000113Q941 D943 Q947 Y948 E949Q941-L945 WeakPolarHBondContact O-CG 3.15Å; Q941-L945 PolarHBondContact O-N 3.19Å; D943-L945 VanDerWaalsContact C-N 3.33Å; L945-Q947 VanDerWaalsContact C-N 3.27Å; L945-Q947 PolarHBondContact O-N 3.44Å; L945-Y948 WeakPolarHBondContact O-CB 3.12Å; L945-Y948 PolarHBondContact O-N 2.82Å; L945-E949 PolarHBondContact O-N 3.48Å; L945-E949 VanDerWaalsContact O-N 3.08Å
946K65.1Low62.3Low94 Ų94107.2 Ų107.241%0.40954%0.543SS..Hα-helixtrans-60.3-35.1174.6-70.6175.4-164.6158.30112.6K942 D943 Y948 E949 I950K942-K946 WeakPolarHBondContact O-CG 3.01Å; K942-K946 PolarHBondContact O-N 3.18Å; K942-K946 VanDerWaalsContact O-N 3.13Å; D943-K946 PolarHBondContact O-N 3.03Å; D943-K946 WeakPolarHBondContact OD1-CD 3.35Å; D943-K946 WeakPolarHBondContact OD1-CE 3.45Å; D943-K946 IonicContact OD1-NZ 3.86Å; D943-K946 PolarHBondContact OD1-NZ 2.76Å; K946-Y948 VanDerWaalsContact C-N 3.26Å; K946-Y948 PolarHBondContact O-N 3.11Å; K946-E949 PolarHBondContact O-N 2.69Å; K946-I950 WeakPolarHBondContact O-CB 3.41Å; K946-I950 VanDerWaalsContact O-CG1 3.26Å; K946-I950 WeakPolarHBondContact O-CG1 3.46Å; K946-I950 PolarHBondContact O-N 2.79Å
947Q63.2Low60.8Low135 Ų135109.4 Ų109.463%0.63156%0.555SS**Hα-helixtrans-67.5-28.6176.1-71.6-169.919.300112.1D943 E944 L945 T951D943-Q947 WeakPolarHBondContact O-CG 3.43Å; D943-Q947 PolarHBondContact O-N 3.3Å; E944-Q947 PolarHBondContact O-N 2.79Å; L945-Q947 VanDerWaalsContact C-N 3.27Å; L945-Q947 PolarHBondContact O-N 3.44Å; Q947-T951 WeakPolarHBondContact O-CB 3.36Å; Q947-T951 WeakPolarHBondContact O-CG2 3.04Å; Q947-T951 PolarHBondContact O-N 2.75Å; Q947-T951 PolarHBondContact O-OG1 3.3Å
948Y57.6Low58.9Low169 Ų169112.3 Ų112.366%0.66356%0.562SS**Hα-helixtrans-72.5-36.6169.1-67.9-61000113.1E944 L945 K946 T951 L952E944-Y948 WeakPolarHBondContact O-CD2 3.15Å; E944-Y948 PolarHBondContact O-N 2.96Å; L945-Y948 WeakPolarHBondContact O-CB 3.12Å; L945-Y948 PolarHBondContact O-N 2.82Å; K946-Y948 VanDerWaalsContact C-N 3.26Å; K946-Y948 PolarHBondContact O-N 3.11Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.5Å; Y948-T951 PolarHBondContact O-OG1 3.44Å; Y948-L952 PolarHBondContact O-N 2.77Å; Y948-L952 VanDerWaalsContact O-N 3.15Å
949E58.8Low57.1Low131 Ų131117.4 Ų117.461%0.61258%0.581SS**Hα-helixtrans-64-41.8170.9-71.4-178.8124.300112.8L945 K946 L952 S953L945-E949 PolarHBondContact O-N 3.48Å; L945-E949 VanDerWaalsContact O-N 3.08Å; K946-E949 PolarHBondContact O-N 2.69Å; E949-L952 PolarHBondContact O-N 2.94Å; E949-S953 PolarHBondContact O-N 3.14Å; E949-S953 PolarHBondContact O-OG 3.36Å
950I61.2Low55.6Low108 Ų108121.9 Ų121.955%0.55460%0.604SS**Hα-helixtrans-71.9-35.9-179.2-68.6165.6000111.3K946 S954K946-I950 WeakPolarHBondContact O-CB 3.41Å; K946-I950 VanDerWaalsContact O-CG1 3.26Å; K946-I950 WeakPolarHBondContact O-CG1 3.46Å; K946-I950 PolarHBondContact O-N 2.79Å; I950-S954 VanDerWaalsContact O-CB 3.29Å; I950-S954 WeakPolarHBondContact O-CB 3.44Å; I950-S954 PolarHBondContact O-N 2.92Å; I950-S954 PolarHBondContact O-OG 3.4Å
951T58.7Low53.6Low74 Ų74123.6 Ų123.645%0.45461%0.614SS.*Hα-helixtrans-74.9-24.2176.148.10000113.7Q947 Y948Q947-T951 WeakPolarHBondContact O-CB 3.36Å; Q947-T951 WeakPolarHBondContact O-CG2 3.04Å; Q947-T951 PolarHBondContact O-N 2.75Å; Q947-T951 PolarHBondContact O-OG1 3.3Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.5Å; Y948-T951 PolarHBondContact O-OG1 3.44Å
952L50.2Low51.6Low127 Ų127122.1 Ų122.167%0.66562%0.618SS**Hα-helixtrans-70.2-54.1166.4-81.6162.7000111.2Y948 E949 S954 L955Y948-L952 PolarHBondContact O-N 2.77Å; Y948-L952 VanDerWaalsContact O-N 3.15Å; E949-L952 PolarHBondContact O-N 2.94Å; L952-S954 VanDerWaalsContact C-N 3.32Å; L952-S954 PolarHBondContact O-N 2.65Å; L952-L955 PolarHBondContact O-N 2.92Å
953S52.8Low49.3Very low77 Ų77125.5 Ų125.554%0.53864%0.636SS.*Hα-helixtrans-62.9-33-176.9-53.70000113.9E949 L955 E956E949-S953 PolarHBondContact O-N 3.14Å; E949-S953 PolarHBondContact O-OG 3.36Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 3.39Å; S953-E956 PolarHBondContact O-N 3.25Å
954S49.6Very low47.5Very low61 Ų61127.2 Ų127.243%0.42765%0.654SS.*THydrogen-bonded Turntrans-80-9.2-177.555.40000115I950 L952I950-S954 VanDerWaalsContact O-CB 3.29Å; I950-S954 WeakPolarHBondContact O-CB 3.44Å; I950-S954 PolarHBondContact O-N 2.92Å; I950-S954 PolarHBondContact O-OG 3.4Å; L952-S954 VanDerWaalsContact C-N 3.32Å; L952-S954 PolarHBondContact O-N 2.65Å
955L44.5Very low45.5Very low125 Ų125130.6 Ų130.665%0.65467%0.669SS**THydrogen-bonded Turntrans-82.5-23.6169.2-73.5171.1000112.6L952 S953 S957L952-L955 PolarHBondContact O-N 2.92Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 3.39Å; L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.42Å
956E44.3Very low43.7Very low173 Ų173131.4 Ų131.481%0.80867%0.674SS**THydrogen-bonded Turntrans-83.4-0.2178-63.7-168126.300114.3S953S953-E956 PolarHBondContact O-N 3.25Å
957S43.4Very low42Very low104 Ų104131.6 Ų131.673%0.72768%0.683SS**THydrogen-bonded Turntrans-138.629.7-179.6-72.40000114.1L955 L959L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.42Å; S957-L959 PolarHBondContact O-N 3.07Å; S957-L959 VanDerWaalsContact O-N 3.13Å
958R36.6Very low40.3Very low208 Ų208133.4 Ų133.479%0.78569%0.689SS**  trans-84.130.3-179.3-127-175.773.3172.63.2114.6
959L33.6Very low38.8Very low161 Ų161130.4 Ų130.484%0.84369%0.691SS**  trans-150.649.1-173.7-158.8105.7000114.9S957S957-L959 PolarHBondContact O-N 3.07Å; S957-L959 VanDerWaalsContact O-N 3.13Å
960L38Very low37.2Very low159 Ų159130.8 Ų130.883%0.83270%0.702SS**  trans-157.574.5160-147.287.6000108.8
961E33.3Very low35.4Very low169 Ų169128.9 Ų128.979%0.7971%0.709SS**  101.3129.976-177.6155.7-140.500111.7
962S28Very low33.8Very low96 Ų96134 Ų13467%0.67173%0.728SS**  trans17117.4177.861.50000119.6
963E23Very low32.6Very low192 Ų192137 Ų13790%0.89773%0.732SS**  5289.575.5-68.3-158.7119.200116.2
964S28.6Very low31.3Very low111 Ų111139.3 Ų139.378%0.77674%0.738SS**  trans-165.2127.5150.9-165.80000112.1
965Q25.4Very low30.3Very low153 Ų153144 Ų14472%0.71575%0.753SS**  cis-167.7152.1-19.9-120.5176.14400109.6
966L22.8Very low29.5Very low133 Ų133146.7 Ų146.770%0.69676%0.756SS**  trans62.3144.4147.7-58.2170.7000121.9
967T28.6Very low28.9Very low97 Ų97144.9 Ų144.960%0.59575%0.752SS**  cis-177.4156.6-43.4250000113.4
968K27.7Very low28.8Very low174 Ų174145.2 Ų145.276%0.75776%0.755SS**  trans73.1131.1135.7-78.4165.5-174.8172.30123.5
969C25.5Very low28.7Very low106 Ų106142 Ų14272%0.71676%0.757SS**  trans72.1150.7133.3-64.60000119.4
970T26Very low29.1Very low138 Ų138141.1 Ų141.185%0.84775%0.754SS**  cis-166.6152.3-8.616.40000109.9
971G23.7Very low29.3Very low68 Ų68144.9 Ų144.970%0.70176%0.757SS**  trans131.9117.2139.800000120.8
972Q24.8Very low29.9Very low181 Ų181144.6 Ų144.685%0.84676%0.759SS**  81.3141.4124.9-89.3-178.72.600124.7
973Y24.8Very low30.8Very low191 Ų191147.1 Ų147.175%0.74976%0.76SS**  trans78.197157.1-89.6-105.8000123.1
974N26.1Very low32.1Very low125 Ų125142.6 Ų142.667%0.66875%0.749SS**  58.1135.7117.4-67.92.8000125
975Q27Very low33.4Very low160 Ų160140.9 Ų140.975%0.74874%0.737SS**  trans101.5126.3135.2-88.8-179.2-5.100123.2
976Y28.1Very low34.8Very low182 Ų182141 Ų14171%0.71474%0.737SS**  trans64.3102.5148.7-70.4-61.5000123.3
977D32.3Very low36.4Very low134 Ų134139.5 Ų139.572%0.71773%0.729SS**  67.5141.5116.2-69.812.3000125.3
978S40.5Very low38.2Very low112 Ų112139 Ų13978%0.78373%0.727SS**  trans45.597.9154.757.60000118.2D980S978-D980 PolarHBondContact O-N 3.03Å
979V35.9Very low40Very low139 Ų139134.8 Ų134.884%0.84271%0.712SS**  trans-63.3114.7153.3175.60000109.1
980D41.8Very low42Very low143 Ų143134.3 Ų134.377%0.76570%0.702SS**  -163.2124.4123.9-109.2-32.3000111.8S978S978-D980 PolarHBondContact O-N 3.03Å
981R41.6Very low44.2Very low238 Ų238130.9 Ų130.990%0.89868%0.681SS**  trans-147.658.4-177.7-70.6-166.3-174.8-178.64.4113
982I45.2Very low46.7Very low163 Ų163134.1 Ų134.184%0.83668%0.675SS**SBendtrans-142.56.9168.8-110148.5000114.6
983Q48.4Very low49Very low149 Ų149130 Ų13070%0.69666%0.66SS**SBendtrans-118.99.1-174.8-126.6173.513.200116.4
984C48.6Very low51.4Low97 Ų97124.9 Ų124.966%0.65564%0.644SS**SBendtrans-103.4-10.3-172.2-62.80000116.3T988C984-T988 WeakPolarHBondContact O-CB 3.38Å; C984-T988 PolarHBondContact O-OG1 2.78Å
985S56.3Low53.7Low75 Ų75125.3 Ų125.352%0.52464%0.64SS.*Hα-helixtrans-80.8-58.5175.748.90000111.6L987 T988 D989S985-L987 VanDerWaalsContact C-N 3.28Å; S985-L987 PolarHBondContact O-N 2.89Å; S985-T988 WeakPolarHBondContact O-CA 3.28Å; S985-T988 WeakPolarHBondContact O-CB 3.47Å; S985-T988 PolarHBondContact O-N 2.66Å; S985-D989 PolarHBondContact O-N 2.91Å; S985-D989 VanDerWaalsContact O-N 3.08Å
986Q55.2Low56.2Low155 Ų155122.9 Ų122.972%0.72463%0.629SS**Hα-helixtrans-58.6-36.3-177.8-69.1174.6-22.800113L990Q986-L990 WeakPolarHBondContact O-CB 3.39Å; Q986-L990 PolarHBondContact O-N 3.45Å; Q986-L990 VanDerWaalsContact O-N 3.08Å
987L56.4Low58.5Low102 Ų102119.3 Ų119.353%0.53462%0.619SS.*Hα-helixtrans-72-28.3172.3-77.2176.2000113.3S985 V991S985-L987 VanDerWaalsContact C-N 3.28Å; S985-L987 PolarHBondContact O-N 2.89Å; L987-V991 WeakPolarHBondContact O-CB 3.28Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.99Å
988T65.7Low60.5Low88 Ų88117.3 Ų117.354%0.5461%0.607SS.*Hα-helixtrans-70.5-43.6176.4-66.30000111.1C984 S985 V991 K992C984-T988 WeakPolarHBondContact O-CB 3.38Å; C984-T988 PolarHBondContact O-OG1 2.78Å; S985-T988 WeakPolarHBondContact O-CA 3.28Å; S985-T988 WeakPolarHBondContact O-CB 3.47Å; S985-T988 PolarHBondContact O-N 2.66Å; T988-V991 PolarHBondContact O-N 3.22Å; T988-K992 PolarHBondContact O-N 3.38Å
989D65.6Low62.3Low85 Ų85115.3 Ų115.346%0.45559%0.59SS.*Hα-helixtrans-72.5-40.5179-66.1-45.4000111.8S985 V991 K992 D993S985-D989 PolarHBondContact O-N 2.91Å; S985-D989 VanDerWaalsContact O-N 3.08Å; D989-V991 VanDerWaalsContact C-N 3.31Å; D989-V991 PolarHBondContact O-N 2.79Å; D989-K992 WeakPolarHBondContact O-CA 3.42Å; D989-K992 WeakPolarHBondContact O-CB 3.39Å; D989-K992 PolarHBondContact O-N 2.96Å; D989-D993 PolarHBondContact O-N 2.91Å
990L69Low64.3Low96 Ų96112.7 Ų112.750%0.50357%0.569SS.*Hα-helixtrans-61-38.4172.4-173.266.4000112.4Q986 K992 L994Q986-L990 WeakPolarHBondContact O-CB 3.39Å; Q986-L990 PolarHBondContact O-N 3.45Å; Q986-L990 VanDerWaalsContact O-N 3.08Å; L990-K992 PolarHBondContact O-N 3.21Å; L990-L994 HydrophobicContact CG-CD1 4.16Å; L990-L994 WeakPolarHBondContact O-CB 3.16Å; L990-L994 VanDerWaalsContact O-CG 3.27Å; L990-L994 WeakPolarHBondContact O-CG 3.48Å; L990-L994 PolarHBondContact O-N 2.83Å
991V70.4Confident65.9Low65 Ų65114.1 Ų114.139%0.39457%0.565SS.*Hα-helixtrans-69.4-21.9172.8165.90000112.2L987 T988 D989 K995L987-V991 WeakPolarHBondContact O-CB 3.28Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.99Å; T988-V991 PolarHBondContact O-N 3.22Å; D989-V991 VanDerWaalsContact C-N 3.31Å; D989-V991 PolarHBondContact O-N 2.79Å; V991-K995 HydrophobicContact CG1-CD 4.17Å; V991-K995 WeakPolarHBondContact O-CB 3.29Å; V991-K995 VanDerWaalsContact O-CD 3.3Å; V991-K995 WeakPolarHBondContact O-CD 3.09Å; V991-K995 WeakPolarHBondContact O-CG 3.31Å; V991-K995 PolarHBondContact O-N 3.27Å
992K76.8Confident67.7Low136 Ų136109.2 Ų109.259%0.59155%0.55SS*.Hα-helixtrans-75.5-50.1174.2-140.1-179.9-173.7-178.50110.6T988 D989 L990 K995 Q996T988-K992 PolarHBondContact O-N 3.38Å; D989-K992 WeakPolarHBondContact O-CA 3.42Å; D989-K992 WeakPolarHBondContact O-CB 3.39Å; D989-K992 PolarHBondContact O-N 2.96Å; L990-K992 PolarHBondContact O-N 3.21Å; K992-K995 CarbonylContact O-C 3.59Å; K992-K995 WeakPolarHBondContact O-CB 3.28Å; K992-K995 PolarHBondContact O-N 3.28Å; K992-K995 VanDerWaalsContact O-N 3.12Å; K992-Q996 PolarHBondContact O-N 3.39Å
993D73.6Confident69.4Low96 Ų96107.9 Ų107.951%0.51354%0.538SS..Hα-helixtrans-64.4-43.3178.7-73.1-4.5000111.4D989 K995 Q996 Q997D989-D993 PolarHBondContact O-N 2.91Å; D993-K995 VanDerWaalsContact C-N 3.29Å; D993-K995 PolarHBondContact O-N 2.84Å; D993-Q996 PolarHBondContact O-N 2.78Å; D993-Q996 VanDerWaalsContact O-N 3.1Å; D993-Q997 WeakPolarHBondContact O-CG 3.41Å; D993-Q997 PolarHBondContact O-N 2.94Å
994L74.9Confident70.9Confident82 Ų82104.6 Ų104.643%0.42953%0.528SS..Hα-helixtrans-62.2-35.1173.3-71.6171000112.1L990 I998L990-L994 HydrophobicContact CG-CD1 4.16Å; L990-L994 WeakPolarHBondContact O-CB 3.16Å; L990-L994 VanDerWaalsContact O-CG 3.27Å; L990-L994 WeakPolarHBondContact O-CG 3.48Å; L990-L994 PolarHBondContact O-N 2.83Å; L994-I998 VanDerWaalsContact O-CB 3.25Å; L994-I998 WeakPolarHBondContact O-CB 3.42Å; L994-I998 WeakPolarHBondContact O-CD1 3.39Å; L994-I998 WeakPolarHBondContact O-CG1 3.21Å; L994-I998 PolarHBondContact O-N 3.44Å
995K75.3Confident72.3Confident134 Ų134103.7 Ų103.758%0.58352%0.517SS*.Hα-helixtrans-69.2-37.2172.2-79.3169.8-175.2169.50112.2V991 K992 D993 I998 T999V991-K995 HydrophobicContact CG1-CD 4.17Å; V991-K995 WeakPolarHBondContact O-CB 3.29Å; V991-K995 VanDerWaalsContact O-CD 3.3Å; V991-K995 WeakPolarHBondContact O-CD 3.09Å; V991-K995 WeakPolarHBondContact O-CG 3.31Å; V991-K995 PolarHBondContact O-N 3.27Å; K992-K995 CarbonylContact O-C 3.59Å; K992-K995 WeakPolarHBondContact O-CB 3.28Å; K992-K995 PolarHBondContact O-N 3.28Å; K992-K995 VanDerWaalsContact O-N 3.12Å; D993-K995 VanDerWaalsContact C-N 3.29Å; D993-K995 PolarHBondContact O-N 2.84Å; K995-I998 PolarHBondContact O-N 2.95Å; K995-T999 PolarHBondContact O-N 2.85Å; K995-T999 PolarHBondContact O-OG1 2.85Å
996Q78Confident73.6Confident110 Ų110103.9 Ų103.951%0.51452%0.515SS..Hα-helixtrans-66.6-51.3175.8-175.3154.4-22.800110.9K992 D993 I998 T999 E1000K992-Q996 PolarHBondContact O-N 3.39Å; D993-Q996 PolarHBondContact O-N 2.78Å; D993-Q996 VanDerWaalsContact O-N 3.1Å; Q996-I998 VanDerWaalsContact C-N 3.31Å; Q996-I998 PolarHBondContact O-N 3.07Å; Q996-T999 CarbonylContact O-C 3.59Å; Q996-T999 WeakPolarHBondContact O-CA 3.17Å; Q996-T999 PolarHBondContact O-N 2.73Å; Q996-T999 PolarHBondContact O-OG1 3.43Å; Q996-E1000 VanDerWaalsContact CG-OE1 3.26Å; Q996-E1000 WeakPolarHBondContact CG-OE1 3.44Å; Q996-E1000 PolarHBondContact NE2-OE1 2.7Å; Q996-E1000 PolarHBondContact O-N 3.32Å
997Q77.2Confident74.8Confident106 Ų106100.1 Ų100.150%0.49550%0.502SS..Hα-helixtrans-54-44172.6-69.6178.95.200112.1D993 T999 E1000 Y1001D993-Q997 WeakPolarHBondContact O-CG 3.41Å; D993-Q997 PolarHBondContact O-N 2.94Å; Q997-T999 VanDerWaalsContact C-N 3.29Å; Q997-T999 PolarHBondContact O-N 2.73Å; Q997-E1000 PolarHBondContact O-N 3.11Å; Q997-Y1001 WeakPolarHBondContact O-CB 3.3Å; Q997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; Q997-Y1001 PolarHBondContact O-N 2.83Å
998I74.3Confident75.9Confident92 Ų92100 Ų10047%0.47250%0.501SS..Hα-helixtrans-63.5-31.6175.6-74.9166.9000112.4L994 K995 Q996 K1002L994-I998 VanDerWaalsContact O-CB 3.25Å; L994-I998 WeakPolarHBondContact O-CB 3.42Å; L994-I998 WeakPolarHBondContact O-CD1 3.39Å; L994-I998 WeakPolarHBondContact O-CG1 3.21Å; L994-I998 PolarHBondContact O-N 3.44Å; K995-I998 PolarHBondContact O-N 2.95Å; Q996-I998 VanDerWaalsContact C-N 3.31Å; Q996-I998 PolarHBondContact O-N 3.07Å; I998-K1002 HydrophobicContact CG2-CD 4.28Å; I998-K1002 WeakPolarHBondContact O-CB 3.31Å; I998-K1002 WeakPolarHBondContact O-CD 3.49Å; I998-K1002 WeakPolarHBondContact O-CG 3.41Å; I998-K1002 PolarHBondContact O-N 2.87Å; I998-K1002 VanDerWaalsContact O-N 3.16Å
999T78.7Confident76.7Confident70 Ų70103.1 Ų103.143%0.42950%0.503SS..Hα-helixtrans-80.9-30.917651.80000113.3K995 Q996 Q997 K1002 K1003K995-T999 PolarHBondContact O-N 2.85Å; K995-T999 PolarHBondContact O-OG1 2.85Å; Q996-T999 CarbonylContact O-C 3.59Å; Q996-T999 WeakPolarHBondContact O-CA 3.17Å; Q996-T999 PolarHBondContact O-N 2.73Å; Q996-T999 PolarHBondContact O-OG1 3.43Å; Q997-T999 VanDerWaalsContact C-N 3.29Å; Q997-T999 PolarHBondContact O-N 2.73Å; T999-K1002 PolarHBondContact O-N 2.85Å; T999-K1003 WeakPolarHBondContact O-CG 3.06Å; T999-K1003 PolarHBondContact O-N 3.32Å
1000E77.8Confident77.5Confident85 Ų85103.5 Ų103.540%0.39751%0.509SS..Hα-helixtrans-72-46.1172.6-73.8167-168.300111.2Q996 Q997 K1002 K1003 V1004Q996-E1000 VanDerWaalsContact CG-OE1 3.26Å; Q996-E1000 WeakPolarHBondContact CG-OE1 3.44Å; Q996-E1000 PolarHBondContact NE2-OE1 2.7Å; Q996-E1000 PolarHBondContact O-N 3.32Å; Q997-E1000 PolarHBondContact O-N 3.11Å; E1000-K1002 PolarHBondContact O-N 2.81Å; E1000-K1003 WeakPolarHBondContact O-CB 3.42Å; E1000-K1003 PolarHBondContact O-N 3.29Å; E1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; E1000-V1004 PolarHBondContact O-N 3.49Å
1001Y75.6Confident78.1Confident173 Ų173103.8 Ų103.868%0.67851%0.508SS*.Hα-helixtrans-56.9-35.1169.5-94.3-74.3000112.5Q997 N1005Q997-Y1001 WeakPolarHBondContact O-CB 3.3Å; Q997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; Q997-Y1001 PolarHBondContact O-N 2.83Å; Y1001-N1005 WeakPolarHBondContact O-CB 3.46Å; Y1001-N1005 PolarHBondContact O-N 3.39Å
1002K79.7Confident78.7Confident134 Ų134109.7 Ų109.758%0.58352%0.523SS*.Hα-helixtrans-66.5-41.4173-80.8169.5-176.8176.90112.4I998 T999 E1000 N1005 T1006I998-K1002 HydrophobicContact CG2-CD 4.28Å; I998-K1002 WeakPolarHBondContact O-CB 3.31Å; I998-K1002 WeakPolarHBondContact O-CD 3.49Å; I998-K1002 WeakPolarHBondContact O-CG 3.41Å; I998-K1002 PolarHBondContact O-N 2.87Å; I998-K1002 VanDerWaalsContact O-N 3.16Å; T999-K1002 PolarHBondContact O-N 2.85Å; E1000-K1002 PolarHBondContact O-N 2.81Å; K1002-N1005 PolarHBondContact O-N 3.18Å; K1002-T1006 PolarHBondContact O-N 2.75Å; K1002-T1006 PolarHBondContact O-OG1 3.04Å
1003K80.5Confident79.1Confident135 Ų135106.1 Ų106.159%0.58752%0.519SS*.Hα-helixtrans-62.3-49.6174.3-71.4171.4-177.7174.50111.5T999 E1000 N1005 T1006 V1007T999-K1003 WeakPolarHBondContact O-CG 3.06Å; T999-K1003 PolarHBondContact O-N 3.32Å; E1000-K1003 WeakPolarHBondContact O-CB 3.42Å; E1000-K1003 PolarHBondContact O-N 3.29Å; K1003-N1005 VanDerWaalsContact C-N 3.32Å; K1003-N1005 PolarHBondContact O-N 2.77Å; K1003-T1006 WeakPolarHBondContact CA-OG1 3.49Å; K1003-T1006 PolarHBondContact O-N 3.49Å; K1003-T1006 PolarHBondContact O-OG1 3.47Å; K1003-V1007 PolarHBondContact O-N 3.12Å
1004V79.6Confident79.6Confident80 Ų80107.4 Ų107.449%0.48552%0.521SS..Hα-helixtrans-59.7-43.1177.3176.40000110.7E1000 T1006 V1007 L1008E1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; E1000-V1004 PolarHBondContact O-N 3.49Å; V1004-T1006 VanDerWaalsContact C-N 3.28Å; V1004-T1006 PolarHBondContact O-N 2.88Å; V1004-V1007 PolarHBondContact O-N 2.66Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å; V1004-L1008 HydrophobicContact CG1-CD1 3.83Å; V1004-L1008 HydrophobicContact CG1-CG 4.24Å; V1004-L1008 WeakPolarHBondContact O-CB 3.22Å; V1004-L1008 WeakPolarHBondContact O-CG 3.28Å; V1004-L1008 PolarHBondContact O-N 2.85Å
1005N78.6Confident80Confident78 Ų78108.9 Ų108.942%0.41753%0.529SS..Hα-helixtrans-73.6-12.6176.9-160.9-18.7000113.5Y1001 K1002 K1003 R1009Y1001-N1005 WeakPolarHBondContact O-CB 3.46Å; Y1001-N1005 PolarHBondContact O-N 3.39Å; K1002-N1005 PolarHBondContact O-N 3.18Å; K1003-N1005 VanDerWaalsContact C-N 3.32Å; K1003-N1005 PolarHBondContact O-N 2.77Å; N1005-R1009 VanDerWaalsContact CG-NH1 3.33Å; N1005-R1009 WeakPolarHBondContact O-CB 3.2Å; N1005-R1009 VanDerWaalsContact O-CG 3.23Å; N1005-R1009 WeakPolarHBondContact O-CG 3.26Å; N1005-R1009 PolarHBondContact O-NH1 3.02Å; N1005-R1009 PolarHBondContact OD1-NH1 3.5Å
1006T82.1Confident80.6Confident80 Ų80106.9 Ų106.949%0.49152%0.522SS..Hα-helixtrans-81.3-41.4162.942.90000112K1002 K1003 V1004 R1009 T1010K1002-T1006 PolarHBondContact O-N 2.75Å; K1002-T1006 PolarHBondContact O-OG1 3.04Å; K1003-T1006 WeakPolarHBondContact CA-OG1 3.49Å; K1003-T1006 PolarHBondContact O-N 3.49Å; K1003-T1006 PolarHBondContact O-OG1 3.47Å; V1004-T1006 VanDerWaalsContact C-N 3.28Å; V1004-T1006 PolarHBondContact O-N 2.88Å; T1006-R1009 WeakPolarHBondContact O-CB 3.49Å; T1006-R1009 PolarHBondContact O-N 2.78Å; T1006-T1010 PolarHBondContact O-N 2.97Å; T1006-T1010 PolarHBondContact O-OG1 2.82Å
1007V82.2Confident81Confident76 Ų76107.7 Ų107.746%0.46153%0.526SS..Hα-helixtrans-62.6-50.1176.71760000111.1K1003 V1004 R1009 T1010 E1011K1003-V1007 PolarHBondContact O-N 3.12Å; V1004-V1007 PolarHBondContact O-N 2.66Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å; V1007-R1009 PolarHBondContact O-N 3.39Å; V1007-T1010 WeakPolarHBondContact CA-OG1 3.42Å; V1007-T1010 PolarHBondContact O-N 2.96Å; V1007-T1010 PolarHBondContact O-OG1 2.66Å; V1007-E1011 HydrophobicContact CG1-CG 4.33Å; V1007-E1011 PolarHBondContact O-N 3.3Å
1008L79.2Confident81.4Confident98 Ų98105.1 Ų105.151%0.51352%0.517SS..Hα-helixtrans-60.9-26.9176.3-69.2172.1000112.9V1004 R1012V1004-L1008 HydrophobicContact CG1-CD1 3.83Å; V1004-L1008 HydrophobicContact CG1-CG 4.24Å; V1004-L1008 WeakPolarHBondContact O-CB 3.22Å; V1004-L1008 WeakPolarHBondContact O-CG 3.28Å; V1004-L1008 PolarHBondContact O-N 2.85Å; L1008-R1012 WeakPolarHBondContact O-CB 3.38Å; L1008-R1012 PolarHBondContact O-N 2.82Å
1009R81.3Confident82Confident154 Ų154103.8 Ų103.858%0.58151%0.513SS*.Hα-helixtrans-74.5-40.7171.9-82.6-176.4-173.4102.5-5.6112.1N1005 T1006 V1007 A1013N1005-R1009 VanDerWaalsContact CG-NH1 3.33Å; N1005-R1009 WeakPolarHBondContact O-CB 3.2Å; N1005-R1009 VanDerWaalsContact O-CG 3.23Å; N1005-R1009 WeakPolarHBondContact O-CG 3.26Å; N1005-R1009 PolarHBondContact O-NH1 3.02Å; N1005-R1009 PolarHBondContact OD1-NH1 3.5Å; T1006-R1009 WeakPolarHBondContact O-CB 3.49Å; T1006-R1009 PolarHBondContact O-N 2.78Å; V1007-R1009 PolarHBondContact O-N 3.39Å; R1009-A1013 WeakPolarHBondContact O-CB 3.1Å; R1009-A1013 PolarHBondContact O-N 2.63Å
1010T83.7Confident82.4Confident94 Ų94104.7 Ų104.758%0.57752%0.515SS*.Hα-helixtrans-67.5-41.1174.742.30000111.9T1006 V1007 A1013 H1014T1006-T1010 PolarHBondContact O-N 2.97Å; T1006-T1010 PolarHBondContact O-OG1 2.82Å; V1007-T1010 WeakPolarHBondContact CA-OG1 3.42Å; V1007-T1010 PolarHBondContact O-N 2.96Å; V1007-T1010 PolarHBondContact O-OG1 2.66Å; T1010-A1013 PolarHBondContact O-N 2.73Å; T1010-H1014 WeakPolarHBondContact O-CB 3.45Å; T1010-H1014 PolarHBondContact O-N 3.29Å
1011E80.2Confident83Confident101 Ų101106.7 Ų106.747%0.47252%0.519SS..Hα-helixtrans-64.3-45.1173.9-69.7177.1137.800111.3V1007 A1013 H1014 L1015V1007-E1011 HydrophobicContact CG1-CG 4.33Å; V1007-E1011 PolarHBondContact O-N 3.3Å; E1011-A1013 VanDerWaalsContact C-N 3.3Å; E1011-A1013 PolarHBondContact O-N 3.35Å; E1011-H1014 PolarHBondContact O-N 3.46Å; E1011-L1015 WeakPolarHBondContact O-CB 3.4Å; E1011-L1015 VanDerWaalsContact O-CG 3.3Å; E1011-L1015 WeakPolarHBondContact O-CG 3.44Å; E1011-L1015 PolarHBondContact O-N 3.41Å
1012R83.3Confident83.5Confident190 Ų190102.8 Ų102.872%0.71751%0.51SS*.Hα-helixtrans-61.7-36.3174.5-177.1174.1177.31741112.6L1008 Q1016L1008-R1012 WeakPolarHBondContact O-CB 3.38Å; L1008-R1012 PolarHBondContact O-N 2.82Å; R1012-Q1016 VanDerWaalsContact O-CB 3.3Å; R1012-Q1016 WeakPolarHBondContact O-CB 3.28Å; R1012-Q1016 PolarHBondContact O-N 3.44Å
1013A85.3Confident83.8Confident60 Ų60101.9 Ų101.950%0.49651%0.507SS..Hα-helixtrans-66.7-44.417400000111.4R1009 T1010 E1011 Q1016 E1017R1009-A1013 WeakPolarHBondContact O-CB 3.1Å; R1009-A1013 PolarHBondContact O-N 2.63Å; T1010-A1013 PolarHBondContact O-N 2.73Å; E1011-A1013 VanDerWaalsContact C-N 3.3Å; E1011-A1013 PolarHBondContact O-N 3.35Å; A1013-Q1016 PolarHBondContact O-N 3.44Å; A1013-E1017 PolarHBondContact O-N 2.79Å
1014H84.5Confident84.1Confident124 Ų12497.4 Ų97.457%0.57450%0.5SS*.Hα-helixtrans-66.1-39.6179-136.5-27000112.1T1010 E1011 E1017 T1018T1010-H1014 WeakPolarHBondContact O-CB 3.45Å; T1010-H1014 PolarHBondContact O-N 3.29Å; E1011-H1014 PolarHBondContact O-N 3.46Å; H1014-E1017 IonicContact ND1-OE2 3.65Å; H1014-E1017 PolarHBondContact O-N 3.43Å; H1014-T1018 WeakPolarHBondContact O-CG2 3.45Å; H1014-T1018 PolarHBondContact O-N 3.05Å; H1014-T1018 PolarHBondContact O-OG1 3.17Å
1015L83.9Confident84.5Confident112 Ų11297.9 Ų97.959%0.58650%0.497SS*.Hα-helixtrans-66.2-39.9172.6-72.3170.7000111.9E1011 E1017 T1018 V1019E1011-L1015 WeakPolarHBondContact O-CB 3.4Å; E1011-L1015 VanDerWaalsContact O-CG 3.3Å; E1011-L1015 WeakPolarHBondContact O-CG 3.44Å; E1011-L1015 PolarHBondContact O-N 3.41Å; L1015-E1017 VanDerWaalsContact C-N 3.3Å; L1015-E1017 PolarHBondContact O-N 3.24Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.49Å; L1015-T1018 PolarHBondContact O-N 2.87Å; L1015-T1018 PolarHBondContact O-OG1 3.38Å; L1015-V1019 WeakPolarHBondContact O-CB 3.45Å; L1015-V1019 VanDerWaalsContact O-CG2 3.29Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; L1015-V1019 PolarHBondContact O-N 3.19Å
1016Q86.7Confident84.7Confident93 Ų9399.6 Ų99.644%0.43551%0.506SS..Hα-helixtrans-63.9-38173.6-170.866.367.200111.2R1012 A1013 V1019 N1020R1012-Q1016 VanDerWaalsContact O-CB 3.3Å; R1012-Q1016 WeakPolarHBondContact O-CB 3.28Å; R1012-Q1016 PolarHBondContact O-N 3.44Å; A1013-Q1016 PolarHBondContact O-N 3.44Å; Q1016-V1019 PolarHBondContact O-N 2.66Å; Q1016-N1020 PolarHBondContact NE2-OD1 3.19Å; Q1016-N1020 WeakPolarHBondContact O-CB 3.49Å; Q1016-N1020 PolarHBondContact O-N 3.23Å; Q1016-N1020 PolarHBondContact O-OD1 2.8Å
1017E86.7Confident84.9Confident127 Ų12798.5 Ų98.559%0.59350%0.504SS*.Hα-helixtrans-66.8-40175-172.2171.6-147.200112.3A1013 H1014 L1015 N1020 R1021A1013-E1017 PolarHBondContact O-N 2.79Å; H1014-E1017 IonicContact ND1-OE2 3.65Å; H1014-E1017 PolarHBondContact O-N 3.43Å; L1015-E1017 VanDerWaalsContact C-N 3.3Å; L1015-E1017 PolarHBondContact O-N 3.24Å; E1017-N1020 PolarHBondContact O-N 3.41Å; E1017-R1021 WeakPolarHBondContact O-CB 3.34Å; E1017-R1021 PolarHBondContact O-N 2.82Å
1018T86.9Confident85.1Confident52 Ų5298 Ų9832%0.31951%0.508SS..Hα-helixtrans-68.6-36.2173.758.30000112.6H1014 L1015 R1021 L1022H1014-T1018 WeakPolarHBondContact O-CG2 3.45Å; H1014-T1018 PolarHBondContact O-N 3.05Å; H1014-T1018 PolarHBondContact O-OG1 3.17Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.49Å; L1015-T1018 PolarHBondContact O-N 2.87Å; L1015-T1018 PolarHBondContact O-OG1 3.38Å; T1018-R1021 PolarHBondContact O-N 3.48Å; T1018-L1022 WeakPolarHBondContact O-CB 3.35Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.26Å; T1018-L1022 PolarHBondContact O-N 3.45Å
1019V86.1Confident85.2Confident63 Ų63102.9 Ų102.938%0.38252%0.52SS..Hα-helixtrans-60.8-52.4170.8167.60000110.2L1015 Q1016 R1021 L1022 E1023L1015-V1019 WeakPolarHBondContact O-CB 3.45Å; L1015-V1019 VanDerWaalsContact O-CG2 3.29Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; L1015-V1019 PolarHBondContact O-N 3.19Å; Q1016-V1019 PolarHBondContact O-N 2.66Å; V1019-R1021 VanDerWaalsContact C-N 3.26Å; V1019-R1021 PolarHBondContact O-N 2.88Å; V1019-L1022 CarbonylContact O-C 3.58Å; V1019-L1022 PolarHBondContact O-N 2.78Å; V1019-L1022 VanDerWaalsContact O-N 3.07Å; V1019-E1023 HydrophobicContact CG1-CG 4.22Å; V1019-E1023 WeakPolarHBondContact O-CB 3.41Å; V1019-E1023 WeakPolarHBondContact O-CG 3.49Å; V1019-E1023 PolarHBondContact O-N 3.38Å
1020N87.8Confident85.3Confident89 Ų8998.6 Ų98.648%0.47651%0.514SS..Hα-helixtrans-58.4-37.5179-64.83.1000112Q1016 E1017 G1024Q1016-N1020 PolarHBondContact NE2-OD1 3.19Å; Q1016-N1020 WeakPolarHBondContact O-CB 3.49Å; Q1016-N1020 PolarHBondContact O-N 3.23Å; Q1016-N1020 PolarHBondContact O-OD1 2.8Å; E1017-N1020 PolarHBondContact O-N 3.41Å; N1020-G1024 PolarHBondContact O-N 3.03Å
1021R89.2Confident85.4Confident127 Ų12798.2 Ų98.248%0.47951%0.508SS..Hα-helixtrans-65.3-47.4173.8-176.5-175.864.479.13.7111.7E1017 T1018 V1019 G1024 E1025E1017-R1021 WeakPolarHBondContact O-CB 3.34Å; E1017-R1021 PolarHBondContact O-N 2.82Å; T1018-R1021 PolarHBondContact O-N 3.48Å; V1019-R1021 VanDerWaalsContact C-N 3.26Å; V1019-R1021 PolarHBondContact O-N 2.88Å; R1021-G1024 PolarHBondContact O-N 3.15Å; R1021-E1025 WeakPolarHBondContact CG-OE1 3.43Å; R1021-E1025 IonicContact CZ-OE1 3.49Å; R1021-E1025 IonicContact NH1-OE1 2.71Å; R1021-E1025 PolarHBondContact NH1-OE1 2.88Å; R1021-E1025 IonicContact NH1-OE2 3.47Å; R1021-E1025 PolarHBondContact NH1-OE2 3.49Å; R1021-E1025 PolarHBondContact O-N 2.81Å
1022L86Confident85.6Confident92 Ų9296.3 Ų96.348%0.48251%0.51SS..Hα-helixtrans-67.2-35.1179.8-71.6170.6000112T1018 V1019 E1025 L1026T1018-L1022 WeakPolarHBondContact O-CB 3.35Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.26Å; T1018-L1022 PolarHBondContact O-N 3.45Å; V1019-L1022 CarbonylContact O-C 3.58Å; V1019-L1022 PolarHBondContact O-N 2.78Å; V1019-L1022 VanDerWaalsContact O-N 3.07Å; L1022-E1025 PolarHBondContact O-N 2.84Å; L1022-L1026 WeakPolarHBondContact O-CB 3.48Å; L1022-L1026 PolarHBondContact O-N 2.69Å
1023E86.3Confident85.5Confident114 Ų11493 Ų9353%0.53351%0.505SS..Hα-helixtrans-63.5-41.9170.4-73177.8164.700111.5V1019 L1026 A1027V1019-E1023 HydrophobicContact CG1-CG 4.22Å; V1019-E1023 WeakPolarHBondContact O-CB 3.41Å; V1019-E1023 WeakPolarHBondContact O-CG 3.49Å; V1019-E1023 PolarHBondContact O-N 3.38Å; E1023-L1026 PolarHBondContact O-N 3.17Å; E1023-A1027 VanDerWaalsContact O-CB 3.32Å; E1023-A1027 WeakPolarHBondContact O-CB 3.24Å; E1023-A1027 PolarHBondContact O-N 2.83Å
1024G86.7Confident85.4Confident42 Ų4297.8 Ų97.843%0.43351%0.511SS..Hα-helixtrans-63.6-42.8173.400000113.3N1020 R1021 A1027 A1028N1020-G1024 PolarHBondContact O-N 3.03Å; R1021-G1024 PolarHBondContact O-N 3.15Å; G1024-A1027 PolarHBondContact O-N 3.48Å; G1024-A1028 WeakPolarHBondContact O-CB 3.24Å; G1024-A1028 PolarHBondContact O-N 3.44Å
1025E87.2Confident85.5Confident90 Ų9098.7 Ų98.742%0.42151%0.513SS..Hα-helixtrans-68.7-36.5175.6-76169.5-158.800112.2R1021 L1022 A1028 R1029R1021-E1025 WeakPolarHBondContact CG-OE1 3.43Å; R1021-E1025 IonicContact CZ-OE1 3.49Å; R1021-E1025 IonicContact NH1-OE1 2.71Å; R1021-E1025 PolarHBondContact NH1-OE1 2.88Å; R1021-E1025 IonicContact NH1-OE2 3.47Å; R1021-E1025 PolarHBondContact NH1-OE2 3.49Å; R1021-E1025 PolarHBondContact O-N 2.81Å; L1022-E1025 PolarHBondContact O-N 2.84Å; E1025-A1028 PolarHBondContact O-N 2.69Å; E1025-R1029 WeakPolarHBondContact O-CB 3.16Å; E1025-R1029 WeakPolarHBondContact O-CG 3.44Å; E1025-R1029 PolarHBondContact O-N 2.85Å
1026L84.2Confident85.4Confident114 Ų11495.6 Ų95.660%0.59750%0.503SS*.Hα-helixtrans-66.4-42.2173.3-176.368.2000111.2L1022 E1023 S1030L1022-L1026 WeakPolarHBondContact O-CB 3.48Å; L1022-L1026 PolarHBondContact O-N 2.69Å; E1023-L1026 PolarHBondContact O-N 3.17Å; L1026-S1030 VanDerWaalsContact O-CB 3.24Å; L1026-S1030 WeakPolarHBondContact O-CB 3.39Å; L1026-S1030 PolarHBondContact O-N 3.35Å; L1026-S1030 PolarHBondContact O-OG 2.96Å
1027A86.6Confident85.1Confident56 Ų5694.5 Ų94.546%0.46350%0.503SS..Hα-helixtrans-63.1-47174.100000111.2E1023 G1024 R1029 S1030 D1031E1023-A1027 VanDerWaalsContact O-CB 3.32Å; E1023-A1027 WeakPolarHBondContact O-CB 3.24Å; E1023-A1027 PolarHBondContact O-N 2.83Å; G1024-A1027 PolarHBondContact O-N 3.48Å; A1027-R1029 PolarHBondContact O-N 2.81Å; A1027-S1030 WeakPolarHBondContact O-CB 3.39Å; A1027-S1030 PolarHBondContact O-N 2.87Å; A1027-D1031 PolarHBondContact O-N 3.49Å
1028A85Confident85.1Confident65 Ų6592.4 Ų92.454%0.53750%0.499SS..Hα-helixtrans-62.1-42.3177.100000112.6G1024 E1025 D1031 A1032G1024-A1028 WeakPolarHBondContact O-CB 3.24Å; G1024-A1028 PolarHBondContact O-N 3.44Å; E1025-A1028 PolarHBondContact O-N 2.69Å; A1028-D1031 PolarHBondContact O-N 2.89Å; A1028-A1032 WeakPolarHBondContact O-CB 3.33Å; A1028-A1032 PolarHBondContact O-N 2.86Å
1029R81.6Confident84.9Confident201 Ų20193 Ų9376%0.75850%0.5SS*.Hα-helixtrans-65.6-39172.5-78.3-169.9177.2-135.22.7112.1E1025 A1027 A1032 L1033E1025-R1029 WeakPolarHBondContact O-CB 3.16Å; E1025-R1029 WeakPolarHBondContact O-CG 3.44Å; E1025-R1029 PolarHBondContact O-N 2.85Å; A1027-R1029 PolarHBondContact O-N 2.81Å; R1029-A1032 PolarHBondContact O-N 3.37Å; R1029-L1033 VanDerWaalsContact O-CB 3.28Å; R1029-L1033 WeakPolarHBondContact O-CB 3.46Å; R1029-L1033 PolarHBondContact O-N 3.39Å
1030S83.7Confident84.7Confident65 Ų6595.6 Ų95.646%0.45551%0.511SS..Hα-helixtrans-64-40.8177.2-61.80000111.6L1026 A1027 L1033 R1034L1026-S1030 VanDerWaalsContact O-CB 3.24Å; L1026-S1030 WeakPolarHBondContact O-CB 3.39Å; L1026-S1030 PolarHBondContact O-N 3.35Å; L1026-S1030 PolarHBondContact O-OG 2.96Å; A1027-S1030 WeakPolarHBondContact O-CB 3.39Å; A1027-S1030 PolarHBondContact O-N 2.87Å; S1030-L1033 PolarHBondContact O-N 3.36Å; S1030-R1034 VanDerWaalsContact O-CB 3.24Å; S1030-R1034 WeakPolarHBondContact O-CB 3.44Å; S1030-R1034 PolarHBondContact O-N 3.09Å
1031D84.8Confident84.4Confident85 Ų8594.8 Ų94.846%0.45551%0.509SS..Hα-helixtrans-71.8-35.5175.3-103.5-18.5000113A1027 A1028 R1034 K1035A1027-D1031 PolarHBondContact O-N 3.49Å; A1028-D1031 PolarHBondContact O-N 2.89Å; D1031-R1034 PolarHBondContact O-N 3.31Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 IonicContact OD1-NE 3.66Å; D1031-R1034 PolarHBondContact OD1-NE 3.03Å; D1031-R1034 IonicContact OD1-NH2 2.78Å; D1031-R1034 PolarHBondContact OD1-NH2 2.9Å; D1031-R1034 IonicContact OD2-NH2 3.71Å; D1031-K1035 WeakPolarHBondContact O-CB 3.19Å; D1031-K1035 PolarHBondContact O-N 2.76Å
1032A84.6Confident84.3Confident62 Ų6297 Ų9751%0.51252%0.517SS..Hα-helixtrans-63.2-42.5171.200000111.8A1028 R1029 K1035 A1036A1028-A1032 WeakPolarHBondContact O-CB 3.33Å; A1028-A1032 PolarHBondContact O-N 2.86Å; R1029-A1032 PolarHBondContact O-N 3.37Å; A1032-K1035 PolarHBondContact O-N 3.06Å; A1032-A1036 WeakPolarHBondContact O-CB 3.45Å; A1032-A1036 PolarHBondContact O-N 3.42Å
1033L81.8Confident84.1Confident119 Ų11997.7 Ų97.762%0.62352%0.52SS*.Hα-helixtrans-70.8-38178.1-156161.3000111.1R1029 S1030 A1036 T1037R1029-L1033 VanDerWaalsContact O-CB 3.28Å; R1029-L1033 WeakPolarHBondContact O-CB 3.46Å; R1029-L1033 PolarHBondContact O-N 3.39Å; S1030-L1033 PolarHBondContact O-N 3.36Å; L1033-A1036 PolarHBondContact O-N 3.5Å; L1033-T1037 WeakPolarHBondContact O-CB 3.46Å; L1033-T1037 PolarHBondContact O-N 3.04Å; L1033-T1037 PolarHBondContact O-OG1 3.06Å
1034R84.1Confident84Confident162 Ų16298 Ų9861%0.61152%0.519SS*.Hα-helixtrans-60.4-45.3170.1-175.2171.470.9110.9-7.3111.3S1030 D1031 T1037 V1038S1030-R1034 VanDerWaalsContact O-CB 3.24Å; S1030-R1034 WeakPolarHBondContact O-CB 3.44Å; S1030-R1034 PolarHBondContact O-N 3.09Å; D1031-R1034 PolarHBondContact O-N 3.31Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 IonicContact OD1-NE 3.66Å; D1031-R1034 PolarHBondContact OD1-NE 3.03Å; D1031-R1034 IonicContact OD1-NH2 2.78Å; D1031-R1034 PolarHBondContact OD1-NH2 2.9Å; D1031-R1034 IonicContact OD2-NH2 3.71Å; R1034-T1037 WeakPolarHBondContact O-CB 3.5Å; R1034-T1037 PolarHBondContact O-N 3.05Å; R1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; R1034-V1038 PolarHBondContact O-N 2.89Å
1035K84.8Confident83.7Confident142 Ų14299.7 Ų99.762%0.61752%0.521SS*.Hα-helixtrans-63.9-47.2176.1-173.7179.5177.1-174.30111.7D1031 A1032 T1037 V1038 D1039D1031-K1035 WeakPolarHBondContact O-CB 3.19Å; D1031-K1035 PolarHBondContact O-N 2.76Å; A1032-K1035 PolarHBondContact O-N 3.06Å; K1035-T1037 VanDerWaalsContact C-N 3.25Å; K1035-T1037 PolarHBondContact O-N 3.26Å; K1035-V1038 WeakPolarHBondContact O-CB 3.44Å; K1035-V1038 PolarHBondContact O-N 2.88Å; K1035-V1038 VanDerWaalsContact O-N 3.07Å; K1035-D1039 PolarHBondContact O-N 3.47Å
1036A81.7Confident83.6Confident47 Ų47100.6 Ų100.639%0.38852%0.524SS..Hα-helixtrans-58.2-38.3174.200000112A1032 L1033 D1039 I1040A1032-A1036 WeakPolarHBondContact O-CB 3.45Å; A1032-A1036 PolarHBondContact O-N 3.42Å; L1033-A1036 PolarHBondContact O-N 3.5Å; A1036-D1039 PolarHBondContact O-N 3.27Å; A1036-I1040 VanDerWaalsContact O-CB 3.29Å; A1036-I1040 WeakPolarHBondContact O-CB 3.49Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.42Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; A1036-I1040 PolarHBondContact O-N 3.15Å
1037T81.9Confident83.4Confident71 Ų7199.8 Ų99.844%0.43652%0.516SS..Hα-helixtrans-65.5-39.3174.7-55.70000111.9L1033 R1034 K1035 T1041L1033-T1037 WeakPolarHBondContact O-CB 3.46Å; L1033-T1037 PolarHBondContact O-N 3.04Å; L1033-T1037 PolarHBondContact O-OG1 3.06Å; R1034-T1037 WeakPolarHBondContact O-CB 3.5Å; R1034-T1037 PolarHBondContact O-N 3.05Å; K1035-T1037 VanDerWaalsContact C-N 3.25Å; K1035-T1037 PolarHBondContact O-N 3.26Å; T1037-T1041 WeakPolarHBondContact O-CB 3.33Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.32Å; T1037-T1041 PolarHBondContact O-N 3.17Å; T1037-T1041 PolarHBondContact O-OG1 3.34Å
1038V85.8Confident83.2Confident82 Ų82101 Ų10150%0.49751%0.512SS..Hα-helixtrans-66.4-43.21741700000111.4R1034 K1035 T1041 R1042R1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; R1034-V1038 PolarHBondContact O-N 2.89Å; K1035-V1038 WeakPolarHBondContact O-CB 3.44Å; K1035-V1038 PolarHBondContact O-N 2.88Å; K1035-V1038 VanDerWaalsContact O-N 3.07Å; V1038-T1041 WeakPolarHBondContact CA-OG1 3.36Å; V1038-T1041 PolarHBondContact O-N 2.87Å; V1038-T1041 PolarHBondContact O-OG1 2.73Å; V1038-T1041 VanDerWaalsContact O-OG1 3.11Å; V1038-R1042 WeakPolarHBondContact O-CB 3.47Å; V1038-R1042 PolarHBondContact O-N 3.35Å
1039D84Confident83.1Confident66 Ų66100.7 Ų100.735%0.35350%0.504SS..Hα-helixtrans-70.6-37.2178.7-74.2-42.6000112K1035 A1036 M1043K1035-D1039 PolarHBondContact O-N 3.47Å; A1036-D1039 PolarHBondContact O-N 3.27Å; D1039-M1043 WeakPolarHBondContact O-CB 3.49Å; D1039-M1043 VanDerWaalsContact O-CG 3.28Å; D1039-M1043 WeakPolarHBondContact O-CG 3.16Å; D1039-M1043 PolarHBondContact O-N 3.4Å
1040I80.5Confident83.2Confident116 Ų11695.1 Ų95.160%0.59549%0.487SS*.Hα-helixtrans-64.3-47.6171.6-72.1165.7000111.1A1036 M1043 K1044A1036-I1040 VanDerWaalsContact O-CB 3.29Å; A1036-I1040 WeakPolarHBondContact O-CB 3.49Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.42Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; A1036-I1040 PolarHBondContact O-N 3.15Å; I1040-M1043 PolarHBondContact O-N 3.38Å; I1040-K1044 WeakPolarHBondContact O-CB 3.32Å; I1040-K1044 PolarHBondContact O-N 2.82Å
1041T82.5Confident83.1Confident73 Ų7397.5 Ų97.545%0.44849%0.494SS..Hα-helixtrans-66-39.1178.347.60000111.7T1037 V1038 K1044 T1045T1037-T1041 WeakPolarHBondContact O-CB 3.33Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.32Å; T1037-T1041 PolarHBondContact O-N 3.17Å; T1037-T1041 PolarHBondContact O-OG1 3.34Å; V1038-T1041 WeakPolarHBondContact CA-OG1 3.36Å; V1038-T1041 PolarHBondContact O-N 2.87Å; V1038-T1041 PolarHBondContact O-OG1 2.73Å; V1038-T1041 VanDerWaalsContact O-OG1 3.11Å; T1041-K1044 PolarHBondContact O-N 3.08Å; T1041-T1045 WeakPolarHBondContact O-CG2 3.29Å; T1041-T1045 PolarHBondContact O-N 2.76Å; T1041-T1045 PolarHBondContact O-OG1 2.85Å
1042R85.9Confident83.2Confident172 Ų172100.3 Ų100.365%0.64950%0.498SS*.Hα-helixtrans-59-50.1171.3-178.6-178.8176.9-159.5-0.6111.9V1038 K1044 T1045 K1046V1038-R1042 WeakPolarHBondContact O-CB 3.47Å; V1038-R1042 PolarHBondContact O-N 3.35Å; R1042-K1044 VanDerWaalsContact C-N 3.33Å; R1042-K1044 PolarHBondContact O-N 3.43Å; R1042-T1045 WeakPolarHBondContact CA-OG1 3.45Å; R1042-T1045 PolarHBondContact O-N 2.75Å; R1042-T1045 PolarHBondContact O-OG1 3.07Å; R1042-K1046 PolarHBondContact O-N 2.8Å
1043M83.3Confident83.2Confident108 Ų108102.2 Ų102.253%0.53250%0.5SS..Hα-helixtrans-61.8-40.3177.3-75.6-67.1-78.200112D1039 I1040 K1046 H1047D1039-M1043 WeakPolarHBondContact O-CB 3.49Å; D1039-M1043 VanDerWaalsContact O-CG 3.28Å; D1039-M1043 WeakPolarHBondContact O-CG 3.16Å; D1039-M1043 PolarHBondContact O-N 3.4Å; I1040-M1043 PolarHBondContact O-N 3.38Å; M1043-K1046 PolarHBondContact O-N 3.25Å; M1043-H1047 PolarHBondContact O-N 2.85Å; M1043-H1047 PolarHBondContact O-ND1 2.97Å
1044K83Confident83.3Confident121 Ų121103.6 Ų103.653%0.52650%0.501SS..Hα-helixtrans-61.6-49173.9-171.4173.1-172.9-81.80111.4I1040 T1041 R1042 K1046 H1047 E1048I1040-K1044 WeakPolarHBondContact O-CB 3.32Å; I1040-K1044 PolarHBondContact O-N 2.82Å; T1041-K1044 PolarHBondContact O-N 3.08Å; R1042-K1044 VanDerWaalsContact C-N 3.33Å; R1042-K1044 PolarHBondContact O-N 3.43Å; K1044-K1046 VanDerWaalsContact C-N 3.29Å; K1044-K1046 PolarHBondContact O-N 3.07Å; K1044-H1047 PolarHBondContact O-N 3.44Å; K1044-E1048 WeakPolarHBondContact CE-OE1 3.37Å; K1044-E1048 HydrophobicContact CG-CG 4.43Å; K1044-E1048 IonicContact NZ-OE1 2.68Å; K1044-E1048 PolarHBondContact NZ-OE1 3.22Å; K1044-E1048 WeakPolarHBondContact O-CB 3.38Å; K1044-E1048 WeakPolarHBondContact O-CG 3.4Å; K1044-E1048 PolarHBondContact O-N 3.43Å
1045T81.5Confident83.3Confident76 Ų7699.2 Ų99.247%0.46649%0.492SS..Hα-helixtrans-60.6-37176.955.80000112.6T1041 R1042 E1048 T1049T1041-T1045 WeakPolarHBondContact O-CG2 3.29Å; T1041-T1045 PolarHBondContact O-N 2.76Å; T1041-T1045 PolarHBondContact O-OG1 2.85Å; R1042-T1045 WeakPolarHBondContact CA-OG1 3.45Å; R1042-T1045 PolarHBondContact O-N 2.75Å; R1042-T1045 PolarHBondContact O-OG1 3.07Å; T1045-E1048 PolarHBondContact O-N 3.48Å; T1045-T1049 PolarHBondContact O-N 3.03Å; T1045-T1049 PolarHBondContact O-OG1 2.67Å; T1045-T1049 VanDerWaalsContact O-OG1 3.1Å
1046K83.5Confident83.2Confident110 Ų11097 Ų9748%0.47849%0.487SS..Hα-helixtrans-65.5-43.2176.3-172172.8-176.2-73.10112.4R1042 M1043 K1044 T1049 E1050R1042-K1046 PolarHBondContact O-N 2.8Å; M1043-K1046 PolarHBondContact O-N 3.25Å; K1044-K1046 VanDerWaalsContact C-N 3.29Å; K1044-K1046 PolarHBondContact O-N 3.07Å; K1046-T1049 WeakPolarHBondContact CA-OG1 3.3Å; K1046-T1049 PolarHBondContact O-N 2.91Å; K1046-T1049 PolarHBondContact O-OG1 2.98Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.25Å; K1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; K1046-E1050 IonicContact NZ-OE1 2.67Å; K1046-E1050 PolarHBondContact NZ-OE1 2.93Å; K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 WeakPolarHBondContact O-CG 3.49Å; K1046-E1050 PolarHBondContact O-N 3.47Å
1047H80.5Confident83.4Confident96 Ų96101.4 Ų101.444%0.44450%0.499SS..Hα-helixtrans-69-35.7174.3-7274.7000111.8M1043 K1044 E1050 L1051M1043-H1047 PolarHBondContact O-N 2.85Å; M1043-H1047 PolarHBondContact O-ND1 2.97Å; K1044-H1047 PolarHBondContact O-N 3.44Å; H1047-E1050 PolarHBondContact O-N 3.43Å; H1047-L1051 VanDerWaalsContact O-CB 3.25Å; H1047-L1051 WeakPolarHBondContact O-CB 3.35Å; H1047-L1051 VanDerWaalsContact O-CG 3.22Å; H1047-L1051 WeakPolarHBondContact O-CG 3.45Å; H1047-L1051 PolarHBondContact O-N 2.8Å
1048E82.2Confident83.3Confident81 Ų81103 Ų10338%0.37950%0.504SS..Hα-helixtrans-67.6-33.2174.4-75.4176.117200113K1044 T1045 R1052K1044-E1048 WeakPolarHBondContact CE-OE1 3.37Å; K1044-E1048 HydrophobicContact CG-CG 4.43Å; K1044-E1048 IonicContact NZ-OE1 2.68Å; K1044-E1048 PolarHBondContact NZ-OE1 3.22Å; K1044-E1048 WeakPolarHBondContact O-CB 3.38Å; K1044-E1048 WeakPolarHBondContact O-CG 3.4Å; K1044-E1048 PolarHBondContact O-N 3.43Å; T1045-E1048 PolarHBondContact O-N 3.48Å; E1048-R1052 WeakPolarHBondContact O-CB 3.48Å; E1048-R1052 PolarHBondContact O-N 2.88Å; E1048-R1052 VanDerWaalsContact O-N 3.09Å
1049T82.4Confident83.2Confident59 Ų59103.1 Ų103.136%0.36250%0.502SS..Hα-helixtrans-71.8-46.7169.947.30000111.4T1045 K1046 L1051 R1052 D1053T1045-T1049 PolarHBondContact O-N 3.03Å; T1045-T1049 PolarHBondContact O-OG1 2.67Å; T1045-T1049 VanDerWaalsContact O-OG1 3.1Å; K1046-T1049 WeakPolarHBondContact CA-OG1 3.3Å; K1046-T1049 PolarHBondContact O-N 2.91Å; K1046-T1049 PolarHBondContact O-OG1 2.98Å; T1049-L1051 VanDerWaalsContact C-N 3.32Å; T1049-L1051 PolarHBondContact O-N 2.87Å; T1049-R1052 WeakPolarHBondContact O-CA 3.33Å; T1049-R1052 WeakPolarHBondContact O-CB 3.44Å; T1049-R1052 PolarHBondContact O-N 2.67Å; T1049-D1053 PolarHBondContact O-N 3.48Å
1050E85Confident83.2Confident85 Ų85101.5 Ų101.540%0.39750%0.501SS..Hα-helixtrans-62.7-38.1179.6-75.1168.8-166.700112.5K1046 H1047 K1054K1046-E1050 WeakPolarHBondContact CE-OE1 3.25Å; K1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; K1046-E1050 IonicContact NZ-OE1 2.67Å; K1046-E1050 PolarHBondContact NZ-OE1 2.93Å; K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 WeakPolarHBondContact O-CG 3.49Å; K1046-E1050 PolarHBondContact O-N 3.47Å; H1047-E1050 PolarHBondContact O-N 3.43Å; E1050-K1054 WeakPolarHBondContact O-CB 3.39Å; E1050-K1054 PolarHBondContact O-N 2.98Å; E1050-K1054 VanDerWaalsContact O-N 3.12Å
1051L82.3Confident83.2Confident115 Ų11598.8 Ų98.860%0.60249%0.492SS*.Hα-helixtrans-69.7-35172.5-72.3170.3000112.3H1047 T1049 T1055H1047-L1051 VanDerWaalsContact O-CB 3.25Å; H1047-L1051 WeakPolarHBondContact O-CB 3.35Å; H1047-L1051 VanDerWaalsContact O-CG 3.22Å; H1047-L1051 WeakPolarHBondContact O-CG 3.45Å; H1047-L1051 PolarHBondContact O-N 2.8Å; T1049-L1051 VanDerWaalsContact C-N 3.32Å; T1049-L1051 PolarHBondContact O-N 2.87Å; L1051-T1055 VanDerWaalsContact O-CB 3.24Å; L1051-T1055 WeakPolarHBondContact O-CB 3.44Å; L1051-T1055 PolarHBondContact O-N 3.43Å; L1051-T1055 PolarHBondContact O-OG1 3.32Å
1052R85.9Confident83.1Confident143 Ų143100.7 Ų100.754%0.5450%0.499SS..Hα-helixtrans-67.4-53175.8-175-176.6-51.7164.18.5111.2E1048 T1049 K1054 T1055 D1056E1048-R1052 WeakPolarHBondContact O-CB 3.48Å; E1048-R1052 PolarHBondContact O-N 2.88Å; E1048-R1052 VanDerWaalsContact O-N 3.09Å; T1049-R1052 WeakPolarHBondContact O-CA 3.33Å; T1049-R1052 WeakPolarHBondContact O-CB 3.44Å; T1049-R1052 PolarHBondContact O-N 2.67Å; R1052-K1054 PolarHBondContact O-N 2.83Å; R1052-T1055 CarbonylContact O-C 3.51Å; R1052-T1055 WeakPolarHBondContact O-CA 3.41Å; R1052-T1055 WeakPolarHBondContact O-CB 3.45Å; R1052-T1055 PolarHBondContact O-N 2.86Å; R1052-D1056 PolarHBondContact O-N 2.94Å
1053D85.3Confident83.1Confident103 Ų10399.6 Ų99.655%0.55150%0.496SS*.Hα-helixtrans-58.1-38.9179.7-60.1-18.2000110.9T1049 H1057T1049-D1053 PolarHBondContact O-N 3.48Å; D1053-H1057 VanDerWaalsContact O-CB 3.29Å; D1053-H1057 WeakPolarHBondContact O-CB 3.47Å; D1053-H1057 PolarHBondContact O-N 2.89Å
1054K83.9Confident83.1Confident148 Ų148100.2 Ų100.264%0.64350%0.498SS*.Hα-helixtrans-72.1-33.7175.5-156.3166.9-166.5171.50112.7E1050 R1052 L1058E1050-K1054 WeakPolarHBondContact O-CB 3.39Å; E1050-K1054 PolarHBondContact O-N 2.98Å; E1050-K1054 VanDerWaalsContact O-N 3.12Å; R1052-K1054 PolarHBondContact O-N 2.83Å; K1054-L1058 WeakPolarHBondContact O-CB 3.44Å; K1054-L1058 VanDerWaalsContact O-CG 3.23Å; K1054-L1058 WeakPolarHBondContact O-CG 3.4Å; K1054-L1058 PolarHBondContact O-N 2.75Å
1055T82.8Confident82.9Confident70 Ų70100.4 Ų100.443%0.42950%0.502SS..Hα-helixtrans-69.1-42.4172.7-61.30000111.4L1051 R1052 L1058 N1059L1051-T1055 VanDerWaalsContact O-CB 3.24Å; L1051-T1055 WeakPolarHBondContact O-CB 3.44Å; L1051-T1055 PolarHBondContact O-N 3.43Å; L1051-T1055 PolarHBondContact O-OG1 3.32Å; R1052-T1055 CarbonylContact O-C 3.51Å; R1052-T1055 WeakPolarHBondContact O-CA 3.41Å; R1052-T1055 WeakPolarHBondContact O-CB 3.45Å; R1052-T1055 PolarHBondContact O-N 2.86Å; T1055-L1058 PolarHBondContact O-N 3.27Å; T1055-N1059 WeakPolarHBondContact O-CB 3.35Å; T1055-N1059 VanDerWaalsContact O-CG 3.26Å; T1055-N1059 PolarHBondContact O-N 3.49Å; T1055-N1059 PolarHBondContact O-ND2 3.33Å
1056D84.5Confident83Confident95 Ų95101.1 Ų101.151%0.50850%0.5SS..Hα-helixtrans-69.9-35.8178.3-70-25000111.4R1052 N1059 G1060R1052-D1056 PolarHBondContact O-N 2.94Å; D1056-N1059 PolarHBondContact O-N 3.15Å; D1056-G1060 PolarHBondContact O-N 3.36Å
1057H84.3Confident83Confident139 Ų13998.6 Ų98.664%0.64449%0.492SS*.Hα-helixtrans-63.6-45.2169.3-175.278000112.4D1053 G1060 S1061D1053-H1057 VanDerWaalsContact O-CB 3.29Å; D1053-H1057 WeakPolarHBondContact O-CB 3.47Å; D1053-H1057 PolarHBondContact O-N 2.89Å; H1057-G1060 PolarHBondContact O-N 3.03Å; H1057-S1061 WeakPolarHBondContact O-CB 3.43Å; H1057-S1061 PolarHBondContact O-N 3.04Å
1058L81.3Confident83.2Confident105 Ų105100.1 Ų100.155%0.5550%0.497SS..Hα-helixtrans-65-40176-75.5169.7000112.2K1054 T1055 S1061 L1062K1054-L1058 WeakPolarHBondContact O-CB 3.44Å; K1054-L1058 VanDerWaalsContact O-CG 3.23Å; K1054-L1058 WeakPolarHBondContact O-CG 3.4Å; K1054-L1058 PolarHBondContact O-N 2.75Å; T1055-L1058 PolarHBondContact O-N 3.27Å; L1058-S1061 PolarHBondContact O-N 2.86Å; L1058-L1062 WeakPolarHBondContact O-CB 3.43Å; L1058-L1062 PolarHBondContact O-N 3.18Å
1059N82.2Confident83.2Confident85 Ų85104.9 Ų104.946%0.45551%0.512SS..Hα-helixtrans-63.8-41.4173.3-76.9-29.2000111.7T1055 D1056 L1062 Y1063T1055-N1059 WeakPolarHBondContact O-CB 3.35Å; T1055-N1059 VanDerWaalsContact O-CG 3.26Å; T1055-N1059 PolarHBondContact O-N 3.49Å; T1055-N1059 PolarHBondContact O-ND2 3.33Å; D1056-N1059 PolarHBondContact O-N 3.15Å; N1059-L1062 PolarHBondContact O-N 2.79Å; N1059-Y1063 WeakPolarHBondContact O-CB 3.38Å; N1059-Y1063 PolarHBondContact O-N 2.91Å
1060G83.9Confident83.3Confident32 Ų32106 Ų10633%0.3351%0.512SS..Hα-helixtrans-62.5-40.8173.900000112.7D1056 H1057 Y1063 Q1064D1056-G1060 PolarHBondContact O-N 3.36Å; H1057-G1060 PolarHBondContact O-N 3.03Å; G1060-Y1063 PolarHBondContact O-N 3.49Å; G1060-Q1064 WeakPolarHBondContact O-CG 3.3Å; G1060-Q1064 PolarHBondContact O-N 3.41Å; G1060-Q1064 VanDerWaalsContact O-N 3.07Å
1061S81.5Confident83.3Confident58 Ų58108.3 Ų108.341%0.40652%0.522SS..Hα-helixtrans-66.7-44.1174.4-169.80000112.1H1057 L1058 Y1063 Q1064 M1065H1057-S1061 WeakPolarHBondContact O-CB 3.43Å; H1057-S1061 PolarHBondContact O-N 3.04Å; L1058-S1061 PolarHBondContact O-N 2.86Å; S1061-Y1063 PolarHBondContact O-N 3.19Å; S1061-Q1064 PolarHBondContact O-N 2.96Å; S1061-M1065 PolarHBondContact O-N 3.26Å
1062L79.9Confident83.1Confident113 Ų113105 Ų10559%0.59251%0.512SS*.Hα-helixtrans-58.5-45.3172.8-96.8166.7000111.8L1058 N1059 Q1064 M1065 E1066L1058-L1062 WeakPolarHBondContact O-CB 3.43Å; L1058-L1062 PolarHBondContact O-N 3.18Å; N1059-L1062 PolarHBondContact O-N 2.79Å; L1062-Q1064 VanDerWaalsContact C-N 3.31Å; L1062-Q1064 PolarHBondContact O-N 2.82Å; L1062-M1065 PolarHBondContact O-N 3.35Å; L1062-E1066 VanDerWaalsContact O-CB 3.3Å; L1062-E1066 WeakPolarHBondContact O-CB 3.42Å; L1062-E1066 PolarHBondContact O-N 3.49Å
1063Y85Confident82.9Confident150 Ų150100 Ų10059%0.58850%0.498SS*.Hα-helixtrans-64.5-34.3177.8-174.3-106.8000112.5N1059 G1060 S1061 N1067N1059-Y1063 WeakPolarHBondContact O-CB 3.38Å; N1059-Y1063 PolarHBondContact O-N 2.91Å; G1060-Y1063 PolarHBondContact O-N 3.49Å; S1061-Y1063 PolarHBondContact O-N 3.19Å; Y1063-N1067 WeakPolarHBondContact CD1-ND2 3.32Å; Y1063-N1067 WeakPolarHBondContact CE1-ND2 3.48Å; Y1063-N1067 VanDerWaalsContact CZ-ND2 3.3Å; Y1063-N1067 WeakPolarHBondContact O-CB 3.49Å; Y1063-N1067 PolarHBondContact O-N 2.88Å; Y1063-N1067 VanDerWaalsContact O-N 3.08Å; Y1063-N1067 PolarHBondContact O-ND2 2.8Å
1064Q83.4Confident82.9Confident120 Ų120101.4 Ų101.456%0.56150%0.499SS*.Hα-helixtrans-69.9-41.9171.8-71.8-178.636.800112.4G1060 S1061 L1062 K1068G1060-Q1064 WeakPolarHBondContact O-CG 3.3Å; G1060-Q1064 PolarHBondContact O-N 3.41Å; G1060-Q1064 VanDerWaalsContact O-N 3.07Å; S1061-Q1064 PolarHBondContact O-N 2.96Å; L1062-Q1064 VanDerWaalsContact C-N 3.31Å; L1062-Q1064 PolarHBondContact O-N 2.82Å; Q1064-K1068 WeakPolarHBondContact O-CB 3.38Å; Q1064-K1068 WeakPolarHBondContact O-CG 3.49Å; Q1064-K1068 PolarHBondContact O-N 2.86Å
1065M78.8Confident82.8Confident125 Ų12599.4 Ų99.462%0.61649%0.494SS*.Hα-helixtrans-62.4-44.5174.4-78.8-75.8-78.800111.7S1061 L1062 N1067 K1068 W1069S1061-M1065 PolarHBondContact O-N 3.26Å; L1062-M1065 PolarHBondContact O-N 3.35Å; M1065-N1067 PolarHBondContact O-N 3.44Å; M1065-K1068 PolarHBondContact O-N 2.75Å; M1065-W1069 WeakPolarHBondContact O-CB 3.43Å; M1065-W1069 PolarHBondContact O-N 3.31Å
1066E83.6Confident82.7Confident92 Ų92100.3 Ų100.343%0.4350%0.495SS..Hα-helixtrans-67.2-36.8-179.1-157.1-152.2-178.100111.7L1062 W1069 K1070L1062-E1066 VanDerWaalsContact O-CB 3.3Å; L1062-E1066 WeakPolarHBondContact O-CB 3.42Å; L1062-E1066 PolarHBondContact O-N 3.49Å; E1066-W1069 PolarHBondContact O-N 2.9Å; E1066-K1070 WeakPolarHBondContact O-CB 3.49Å; E1066-K1070 WeakPolarHBondContact O-CD 3.3Å; E1066-K1070 VanDerWaalsContact O-CG 3.24Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 2.87Å; E1066-K1070 VanDerWaalsContact OE1-CE 3.26Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.38Å; E1066-K1070 IonicContact OE1-NZ 2.92Å; E1066-K1070 PolarHBondContact OE1-NZ 2.81Å; E1066-K1070 IonicContact OE2-NZ 2.62Å; E1066-K1070 PolarHBondContact OE2-NZ 3.2Å
1067N84.4Confident82.6Confident56 Ų56102.2 Ų102.230%0.29950%0.501SS..Hα-helixtrans-68-44.4172-79.5-56.5000112.2Y1063 M1065 W1069 K1070 E1071Y1063-N1067 WeakPolarHBondContact CD1-ND2 3.32Å; Y1063-N1067 WeakPolarHBondContact CE1-ND2 3.48Å; Y1063-N1067 VanDerWaalsContact CZ-ND2 3.3Å; Y1063-N1067 WeakPolarHBondContact O-CB 3.49Å; Y1063-N1067 PolarHBondContact O-N 2.88Å; Y1063-N1067 VanDerWaalsContact O-N 3.08Å; Y1063-N1067 PolarHBondContact O-ND2 2.8Å; M1065-N1067 PolarHBondContact O-N 3.44Å; N1067-W1069 PolarHBondContact O-N 3.43Å; N1067-K1070 CarbonylContact O-C 3.51Å; N1067-K1070 PolarHBondContact O-N 3.44Å; N1067-K1070 VanDerWaalsContact O-N 3.16Å; N1067-E1071 WeakPolarHBondContact O-CG 3.47Å; N1067-E1071 PolarHBondContact O-N 2.89Å
1068K84.9Confident82.6Confident129 Ų129101.7 Ų101.756%0.56150%0.496SS*.Hα-helixtrans-59-37.1172.9-74.4171.8-179.9174.80112Q1064 M1065 E1071 A1072Q1064-K1068 WeakPolarHBondContact O-CB 3.38Å; Q1064-K1068 WeakPolarHBondContact O-CG 3.49Å; Q1064-K1068 PolarHBondContact O-N 2.86Å; M1065-K1068 PolarHBondContact O-N 2.75Å; K1068-E1071 PolarHBondContact O-N 2.92Å; K1068-A1072 WeakPolarHBondContact O-CB 3.35Å; K1068-A1072 PolarHBondContact O-N 3.37Å
1069W81.9Confident82.5Confident181 Ų181100.9 Ų100.969%0.68649%0.492SS*.Hα-helixtrans-69.3-40.7175.9-158.683.7000111.9M1065 E1066 N1067 E1071 A1072 C1073M1065-W1069 WeakPolarHBondContact O-CB 3.43Å; M1065-W1069 PolarHBondContact O-N 3.31Å; E1066-W1069 PolarHBondContact O-N 2.9Å; N1067-W1069 PolarHBondContact O-N 3.43Å; W1069-E1071 VanDerWaalsContact C-N 3.32Å; W1069-E1071 PolarHBondContact O-N 2.98Å; W1069-A1072 PolarHBondContact O-N 2.95Å; W1069-C1073 VanDerWaalsContact CE3-SG 3.53Å; W1069-C1073 WeakPolarHBondContact CZ3-SG 3.24Å; W1069-C1073 PolarHBondContact O-N 3.34Å; W1069-C1073 PolarHBondContact O-SG 3.34Å
1070K85Confident82.4Confident83 Ų83101.8 Ų101.836%0.36149%0.494SS..Hα-helixtrans-64.5-32.3172.2-73.1162.7-175.7168.70112.7E1066 N1067 K1074E1066-K1070 WeakPolarHBondContact O-CB 3.49Å; E1066-K1070 WeakPolarHBondContact O-CD 3.3Å; E1066-K1070 VanDerWaalsContact O-CG 3.24Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 2.87Å; E1066-K1070 VanDerWaalsContact OE1-CE 3.26Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.38Å; E1066-K1070 IonicContact OE1-NZ 2.92Å; E1066-K1070 PolarHBondContact OE1-NZ 2.81Å; E1066-K1070 IonicContact OE2-NZ 2.62Å; E1066-K1070 PolarHBondContact OE2-NZ 3.2Å; N1067-K1070 CarbonylContact O-C 3.51Å; N1067-K1070 PolarHBondContact O-N 3.44Å; N1067-K1070 VanDerWaalsContact O-N 3.16Å; K1070-K1074 VanDerWaalsContact O-CG 3.31Å; K1070-K1074 WeakPolarHBondContact O-CG 3.37Å; K1070-K1074 PolarHBondContact O-N 2.91Å
1071E84.5Confident82.3Confident132 Ų132107 Ų10762%0.61751%0.508SS*.Hα-helixtrans-72.4-42.9172-72.5179.1159.500111.9N1067 K1068 W1069 C1073 K1074 M1075N1067-E1071 WeakPolarHBondContact O-CG 3.47Å; N1067-E1071 PolarHBondContact O-N 2.89Å; K1068-E1071 PolarHBondContact O-N 2.92Å; W1069-E1071 VanDerWaalsContact C-N 3.32Å; W1069-E1071 PolarHBondContact O-N 2.98Å; E1071-C1073 PolarHBondContact O-N 2.95Å; E1071-K1074 PolarHBondContact O-N 3.26Å; E1071-M1075 PolarHBondContact O-N 2.83Å
1072A79.2Confident82.3Confident46 Ų46109.3 Ų109.338%0.3851%0.512SS..Hα-helixtrans-60.1-43.7173.600000111.9K1068 W1069 K1074 M1075 I1076K1068-A1072 WeakPolarHBondContact O-CB 3.35Å; K1068-A1072 PolarHBondContact O-N 3.37Å; W1069-A1072 PolarHBondContact O-N 2.95Å; A1072-K1074 PolarHBondContact O-N 2.94Å; A1072-M1075 WeakPolarHBondContact O-CB 3.13Å; A1072-M1075 PolarHBondContact O-N 2.9Å; A1072-M1075 VanDerWaalsContact O-N 3.11Å; A1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; A1072-I1076 PolarHBondContact O-N 2.78Å
1073C81.7Confident82.1Confident37 Ų37111.5 Ų111.525%0.2551%0.513CS..Hα-helixtrans-61.2-42.9175.6-67.70000112.2W1069 E1071 M1075 I1076 E1077W1069-C1073 VanDerWaalsContact CE3-SG 3.53Å; W1069-C1073 WeakPolarHBondContact CZ3-SG 3.24Å; W1069-C1073 PolarHBondContact O-N 3.34Å; W1069-C1073 PolarHBondContact O-SG 3.34Å; E1071-C1073 PolarHBondContact O-N 2.95Å; C1073-M1075 VanDerWaalsContact C-N 3.26Å; C1073-M1075 PolarHBondContact O-N 3.47Å; C1073-I1076 CarbonylContact O-C 3.56Å; C1073-I1076 PolarHBondContact O-N 3.37Å; C1073-I1076 VanDerWaalsContact O-N 3.15Å; C1073-E1077 WeakPolarHBondContact O-CG 3.49Å; C1073-E1077 PolarHBondContact O-N 3.09Å
1074K84.4Confident81.8Confident133 Ų133110 Ų11058%0.57851%0.51SS*.Hα-helixtrans-64.3-30174.3-72.7168.3-176173.10113.1K1070 E1071 A1072 K1078K1070-K1074 VanDerWaalsContact O-CG 3.31Å; K1070-K1074 WeakPolarHBondContact O-CG 3.37Å; K1070-K1074 PolarHBondContact O-N 2.91Å; E1071-K1074 PolarHBondContact O-N 3.26Å; A1072-K1074 PolarHBondContact O-N 2.94Å; K1074-K1078 PolarHBondContact O-N 3.44Å
1075M82.7Confident81.5Confident107 Ų107108.3 Ų108.353%0.52751%0.505SS..Hα-helixtrans-72.6-39.3173-166.166.8-169.200111.1E1071 A1072 C1073 K1078 L1079E1071-M1075 PolarHBondContact O-N 2.83Å; A1072-M1075 WeakPolarHBondContact O-CB 3.13Å; A1072-M1075 PolarHBondContact O-N 2.9Å; A1072-M1075 VanDerWaalsContact O-N 3.11Å; C1073-M1075 VanDerWaalsContact C-N 3.26Å; C1073-M1075 PolarHBondContact O-N 3.47Å; M1075-K1078 WeakPolarHBondContact O-CB 3.26Å; M1075-K1078 PolarHBondContact O-N 3.4Å; M1075-L1079 HydrophobicContact CE-CD1 4.34Å; M1075-L1079 HydrophobicContact CE-CD2 4.43Å; M1075-L1079 HydrophobicContact CE-CG 4.34Å; M1075-L1079 HydrophobicContact CG-CD1 4.19Å; M1075-L1079 WeakPolarHBondContact O-CB 3.46Å; M1075-L1079 VanDerWaalsContact O-CG 3.29Å; M1075-L1079 WeakPolarHBondContact O-CG 3.47Å; M1075-L1079 PolarHBondContact O-N 3.09Å
1076I79.5Confident81.3Confident89 Ų89108.4 Ų108.446%0.45650%0.503SS..Hα-helixtrans-64.2-48.2173.4-67164.2000110.5A1072 C1073 K1078 L1079 E1080A1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; A1072-I1076 PolarHBondContact O-N 2.78Å; C1073-I1076 CarbonylContact O-C 3.56Å; C1073-I1076 PolarHBondContact O-N 3.37Å; C1073-I1076 VanDerWaalsContact O-N 3.15Å; I1076-K1078 PolarHBondContact O-N 3.46Å; I1076-L1079 CarbonylContact O-C 3.54Å; I1076-L1079 PolarHBondContact O-N 2.91Å; I1076-E1080 HydrophobicContact CG2-CG 4.18Å; I1076-E1080 WeakPolarHBondContact O-CB 3.33Å; I1076-E1080 WeakPolarHBondContact O-CG 3.48Å; I1076-E1080 PolarHBondContact O-N 2.89Å
1077E82.1Confident80.7Confident134 Ų134108.6 Ų108.663%0.62651%0.505SS*.Hα-helixtrans-55.6-36.6174.5-73.7179.8147.900112.6C1073 K1081C1073-E1077 WeakPolarHBondContact O-CG 3.49Å; C1073-E1077 PolarHBondContact O-N 3.09Å; E1077-K1081 WeakPolarHBondContact O-CB 3.49Å; E1077-K1081 PolarHBondContact O-N 3Å
1078K85.3Confident80.3Confident128 Ų128112.6 Ų112.656%0.55752%0.52SS*.Hα-helixtrans-66.4-51171.8-95.6-168.9168.4-163.20112.1K1074 M1075 I1076 K1081 E1082K1074-K1078 PolarHBondContact O-N 3.44Å; M1075-K1078 WeakPolarHBondContact O-CB 3.26Å; M1075-K1078 PolarHBondContact O-N 3.4Å; I1076-K1078 PolarHBondContact O-N 3.46Å; K1078-K1081 WeakPolarHBondContact O-CB 3.36Å; K1078-K1081 PolarHBondContact O-N 2.89Å; K1078-K1081 VanDerWaalsContact O-N 3.11Å; K1078-E1082 WeakPolarHBondContact O-CG 3.48Å; K1078-E1082 PolarHBondContact O-N 3.3Å
1079L79.1Confident79.8Confident89 Ų89112.4 Ų112.447%0.46652%0.519SS..Hα-helixtrans-65.8-37.8-177.3-70.9169000111.9M1075 I1076 K1081 E1082 Y1083M1075-L1079 HydrophobicContact CE-CD1 4.34Å; M1075-L1079 HydrophobicContact CE-CD2 4.43Å; M1075-L1079 HydrophobicContact CE-CG 4.34Å; M1075-L1079 HydrophobicContact CG-CD1 4.19Å; M1075-L1079 WeakPolarHBondContact O-CB 3.46Å; M1075-L1079 VanDerWaalsContact O-CG 3.29Å; M1075-L1079 WeakPolarHBondContact O-CG 3.47Å; M1075-L1079 PolarHBondContact O-N 3.09Å; I1076-L1079 CarbonylContact O-C 3.54Å; I1076-L1079 PolarHBondContact O-N 2.91Å; L1079-K1081 VanDerWaalsContact C-N 3.28Å; L1079-K1081 PolarHBondContact O-N 3.49Å; L1079-E1082 PolarHBondContact O-N 3.15Å; L1079-Y1083 WeakPolarHBondContact O-CB 3.27Å; L1079-Y1083 PolarHBondContact O-N 3.39Å
1080E79.9Confident79.1Confident103 Ų103109.5 Ų109.548%0.48152%0.516SS..Hα-helixtrans-61.8-35.8171-75.8-173-162.400112.4I1076 K1084I1076-E1080 HydrophobicContact CG2-CG 4.18Å; I1076-E1080 WeakPolarHBondContact O-CB 3.33Å; I1076-E1080 WeakPolarHBondContact O-CG 3.48Å; I1076-E1080 PolarHBondContact O-N 2.89Å; E1080-K1084 WeakPolarHBondContact O-CB 3.41Å; E1080-K1084 WeakPolarHBondContact O-CG 3.3Å; E1080-K1084 PolarHBondContact O-N 3.34Å; E1080-K1084 IonicContact OE2-NZ 3.95Å
1081K81.9Confident78.4Confident143 Ų143109.5 Ų109.562%0.62252%0.523SS*.Hα-helixtrans-75.8-42.3178.3-165.7173.7-173.9177.90111.8E1077 K1078 L1079 Y1083 K1084 D1085E1077-K1081 WeakPolarHBondContact O-CB 3.49Å; E1077-K1081 PolarHBondContact O-N 3Å; K1078-K1081 WeakPolarHBondContact O-CB 3.36Å; K1078-K1081 PolarHBondContact O-N 2.89Å; K1078-K1081 VanDerWaalsContact O-N 3.11Å; L1079-K1081 VanDerWaalsContact C-N 3.28Å; L1079-K1081 PolarHBondContact O-N 3.49Å; K1081-Y1083 VanDerWaalsContact C-N 3.29Å; K1081-Y1083 PolarHBondContact O-N 3.37Å; K1081-K1084 PolarHBondContact O-N 3.13Å; K1081-D1085 WeakPolarHBondContact O-CB 3.32Å; K1081-D1085 PolarHBondContact O-N 3.21Å
1082E82Confident77.7Confident105 Ų105108.2 Ų108.249%0.49152%0.517SS..Hα-helixtrans-64.4-34.9172.3-71.8173.6-16300111.4K1078 L1079 Q1086K1078-E1082 WeakPolarHBondContact O-CG 3.48Å; K1078-E1082 PolarHBondContact O-N 3.3Å; L1079-E1082 PolarHBondContact O-N 3.15Å; E1082-Q1086 WeakPolarHBondContact O-CG 3.5Å; E1082-Q1086 PolarHBondContact O-N 2.84Å
1083Y75.4Confident77.1Confident160 Ų160108.7 Ų108.763%0.62752%0.52SS*.Hα-helixtrans-65.7-49.3172.1-171.7-87000111.3L1079 K1081 D1085 Q1086 E1087L1079-Y1083 WeakPolarHBondContact O-CB 3.27Å; L1079-Y1083 PolarHBondContact O-N 3.39Å; K1081-Y1083 VanDerWaalsContact C-N 3.29Å; K1081-Y1083 PolarHBondContact O-N 3.37Å; Y1083-D1085 VanDerWaalsContact C-N 3.31Å; Y1083-D1085 PolarHBondContact O-N 3.41Å; Y1083-Q1086 CarbonylContact O-C 3.56Å; Y1083-Q1086 WeakPolarHBondContact O-CA 3.37Å; Y1083-Q1086 WeakPolarHBondContact O-CB 3.23Å; Y1083-Q1086 PolarHBondContact O-N 2.79Å; Y1083-E1087 WeakPolarHBondContact O-CB 3.5Å; Y1083-E1087 PolarHBondContact O-N 3.14Å
1084K77.9Confident75.9Confident117 Ų117110 Ų11051%0.50953%0.53SS..Hα-helixtrans-61.9-36.2175.5-77.2165.1-178.5154.30112.7E1080 K1081 Q1086 E1087 F1088E1080-K1084 WeakPolarHBondContact O-CB 3.41Å; E1080-K1084 WeakPolarHBondContact O-CG 3.3Å; E1080-K1084 PolarHBondContact O-N 3.34Å; E1080-K1084 IonicContact OE2-NZ 3.95Å; K1081-K1084 PolarHBondContact O-N 3.13Å; K1084-Q1086 VanDerWaalsContact C-N 3.26Å; K1084-Q1086 PolarHBondContact O-N 2.88Å; K1084-E1087 PolarHBondContact O-N 3.07Å; K1084-F1088 WeakPolarHBondContact O-CB 3.35Å; K1084-F1088 PolarHBondContact O-N 2.81Å
1085D76.8Confident74.9Confident86 Ų86107.1 Ų107.146%0.4652%0.524SS..Hα-helixtrans-71.5-15.7173.2-78.9-3.2000113.3K1081 Y1083 K1089K1081-D1085 WeakPolarHBondContact O-CB 3.32Å; K1081-D1085 PolarHBondContact O-N 3.21Å; Y1083-D1085 VanDerWaalsContact C-N 3.31Å; Y1083-D1085 PolarHBondContact O-N 3.41Å; D1085-K1089 VanDerWaalsContact O-CD 3.24Å; D1085-K1089 WeakPolarHBondContact O-CD 3.44Å; D1085-K1089 VanDerWaalsContact O-CE 3.3Å; D1085-K1089 WeakPolarHBondContact O-CE 3.08Å; D1085-K1089 WeakPolarHBondContact O-CG 3.42Å; D1085-K1089 PolarHBondContact O-NZ 3.27Å
1086Q74.4Confident74Confident126 Ų126107.2 Ų107.259%0.58953%0.527SS*.Hα-helixtrans-91.5-41.2168.1-75-170.726.300111.9E1082 Y1083 K1084 F1088 K1089 L1090E1082-Q1086 WeakPolarHBondContact O-CG 3.5Å; E1082-Q1086 PolarHBondContact O-N 2.84Å; Y1083-Q1086 CarbonylContact O-C 3.56Å; Y1083-Q1086 WeakPolarHBondContact O-CA 3.37Å; Y1083-Q1086 WeakPolarHBondContact O-CB 3.23Å; Y1083-Q1086 PolarHBondContact O-N 2.79Å; K1084-Q1086 VanDerWaalsContact C-N 3.26Å; K1084-Q1086 PolarHBondContact O-N 2.88Å; Q1086-F1088 VanDerWaalsContact C-N 3.32Å; Q1086-F1088 PolarHBondContact O-N 2.91Å; Q1086-K1089 CarbonylContact O-C 3.54Å; Q1086-K1089 PolarHBondContact O-N 2.82Å; Q1086-K1089 VanDerWaalsContact O-N 3.09Å; Q1086-L1090 WeakPolarHBondContact O-CG 3.39Å; Q1086-L1090 PolarHBondContact O-N 2.94Å
1087E72Confident73Confident97 Ų97105.6 Ų105.645%0.45352%0.523SS..Hα-helixtrans-56.4-46.1174.6-173.5178.2-156.500110.6Y1083 K1084 K1089 L1090 V1091Y1083-E1087 WeakPolarHBondContact O-CB 3.5Å; Y1083-E1087 PolarHBondContact O-N 3.14Å; K1084-E1087 PolarHBondContact O-N 3.07Å; E1087-K1089 VanDerWaalsContact C-N 3.33Å; E1087-K1089 PolarHBondContact O-N 3.35Å; E1087-L1090 PolarHBondContact O-N 3.36Å; E1087-V1091 WeakPolarHBondContact O-CG2 3.45Å; E1087-V1091 PolarHBondContact O-N 3.03Å
1088F76.2Confident71.8Confident140 Ų140102.1 Ų102.161%0.61451%0.513SS*.Hα-helixtrans-59.5-41.3174.5-168.2-88.3000112.5K1084 Q1086 V1091 E1092K1084-F1088 WeakPolarHBondContact O-CB 3.35Å; K1084-F1088 PolarHBondContact O-N 2.81Å; Q1086-F1088 VanDerWaalsContact C-N 3.32Å; Q1086-F1088 PolarHBondContact O-N 2.91Å; F1088-V1091 PolarHBondContact O-N 2.84Å; F1088-E1092 WeakPolarHBondContact O-CB 3.47Å; F1088-E1092 PolarHBondContact O-N 2.91Å
1089K74.8Confident71Confident124 Ų124100.4 Ų100.454%0.53951%0.51SS..Hα-helixtrans-71.2-32.5177.4-68.9172.8-169.2123.60112.6D1085 Q1086 E1087 A1093D1085-K1089 VanDerWaalsContact O-CD 3.24Å; D1085-K1089 WeakPolarHBondContact O-CD 3.44Å; D1085-K1089 VanDerWaalsContact O-CE 3.3Å; D1085-K1089 WeakPolarHBondContact O-CE 3.08Å; D1085-K1089 WeakPolarHBondContact O-CG 3.42Å; D1085-K1089 PolarHBondContact O-NZ 3.27Å; Q1086-K1089 CarbonylContact O-C 3.54Å; Q1086-K1089 PolarHBondContact O-N 2.82Å; Q1086-K1089 VanDerWaalsContact O-N 3.09Å; E1087-K1089 VanDerWaalsContact C-N 3.33Å; E1087-K1089 PolarHBondContact O-N 3.35Å; K1089-A1093 VanDerWaalsContact O-CB 3.3Å; K1089-A1093 WeakPolarHBondContact O-CB 3.43Å; K1089-A1093 PolarHBondContact O-N 2.95Å
1090L65.8Low70.6Confident121 Ų121102.3 Ų102.363%0.63452%0.517SS*.Hα-helixtrans-69.7-38.7172.6-76.1166.9000111.1Q1086 E1087 A1093 S1094Q1086-L1090 WeakPolarHBondContact O-CG 3.39Å; Q1086-L1090 PolarHBondContact O-N 2.94Å; E1087-L1090 PolarHBondContact O-N 3.36Å; L1090-A1093 PolarHBondContact O-N 3.45Å; L1090-S1094 WeakPolarHBondContact O-CB 3.36Å; L1090-S1094 PolarHBondContact O-N 3.4Å
1091V71.2Confident70.1Confident82 Ų82101.8 Ų101.850%0.49752%0.517SS..Hα-helixtrans-62.8-47.4171.5170.40000110.6E1087 F1088 A1093 S1094 T1095E1087-V1091 WeakPolarHBondContact O-CG2 3.45Å; E1087-V1091 PolarHBondContact O-N 3.03Å; F1088-V1091 PolarHBondContact O-N 2.84Å; V1091-A1093 PolarHBondContact O-N 2.86Å; V1091-S1094 WeakPolarHBondContact CA-OG 3.29Å; V1091-S1094 WeakPolarHBondContact O-CA 3.34Å; V1091-S1094 WeakPolarHBondContact O-CB 3.45Å; V1091-S1094 PolarHBondContact O-N 3.16Å; V1091-S1094 PolarHBondContact O-OG 3Å; V1091-T1095 PolarHBondContact O-N 3Å; V1091-T1095 PolarHBondContact O-OG1 2.92Å
1092E69.6Low69.6Low105 Ų105100.7 Ų100.749%0.49151%0.513SS..Hα-helixtrans-63.9-36.9178.3-167.3169.8-133.200112.5F1088 T1095 N1096F1088-E1092 WeakPolarHBondContact O-CB 3.47Å; F1088-E1092 PolarHBondContact O-N 2.91Å; E1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; E1092-T1095 PolarHBondContact O-OG1 3.29Å; E1092-N1096 PolarHBondContact O-N 2.9Å; E1092-N1096 PolarHBondContact O-ND2 2.99Å
1093A65.9Low69.3Low56 Ų56100.2 Ų100.246%0.46351%0.513SS..Hα-helixtrans-65.9-39.2169.200000112.3K1089 L1090 V1091 T1095 N1096 S1097K1089-A1093 VanDerWaalsContact O-CB 3.3Å; K1089-A1093 WeakPolarHBondContact O-CB 3.43Å; K1089-A1093 PolarHBondContact O-N 2.95Å; L1090-A1093 PolarHBondContact O-N 3.45Å; V1091-A1093 PolarHBondContact O-N 2.86Å; A1093-T1095 PolarHBondContact O-N 3.18Å; A1093-N1096 PolarHBondContact O-N 3.01Å; A1093-S1097 WeakPolarHBondContact O-CB 3.34Å; A1093-S1097 PolarHBondContact O-N 2.68Å
1094S57.4Low69.2Low65 Ų6597.2 Ų97.246%0.45551%0.507SS..Hα-helixtrans-66.5-35.4178.582.50000112.7L1090 V1091 S1097 S1098L1090-S1094 WeakPolarHBondContact O-CB 3.36Å; L1090-S1094 PolarHBondContact O-N 3.4Å; V1091-S1094 WeakPolarHBondContact CA-OG 3.29Å; V1091-S1094 WeakPolarHBondContact O-CA 3.34Å; V1091-S1094 WeakPolarHBondContact O-CB 3.45Å; V1091-S1094 PolarHBondContact O-N 3.16Å; V1091-S1094 PolarHBondContact O-OG 3Å; S1094-S1097 PolarHBondContact O-N 2.86Å; S1094-S1098 WeakPolarHBondContact O-CB 3.42Å; S1094-S1098 PolarHBondContact O-N 3.22Å
1095T62.8Low69Low73 Ų7398 Ų9845%0.44851%0.511SS..Hα-helixtrans-68-41.7175.642.70000111.6V1091 E1092 A1093 S1098 D1099V1091-T1095 PolarHBondContact O-N 3Å; V1091-T1095 PolarHBondContact O-OG1 2.92Å; E1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; E1092-T1095 PolarHBondContact O-OG1 3.29Å; A1093-T1095 PolarHBondContact O-N 3.18Å; T1095-S1098 WeakPolarHBondContact O-CB 3.37Å; T1095-S1098 PolarHBondContact O-N 3.36Å; T1095-S1098 VanDerWaalsContact O-N 3.16Å; T1095-D1099 PolarHBondContact O-N 3.21Å
1096N64.9Low69Low109 Ų109100.3 Ų100.358%0.58352%0.519SS*.Hα-helixtrans-64.9-41.6174.7-69.7-46.5000111.4E1092 A1093 S1098 D1099 E1100E1092-N1096 PolarHBondContact O-N 2.9Å; E1092-N1096 PolarHBondContact O-ND2 2.99Å; A1093-N1096 PolarHBondContact O-N 3.01Å; N1096-S1098 VanDerWaalsContact C-N 3.29Å; N1096-S1098 PolarHBondContact O-N 2.84Å; N1096-D1099 PolarHBondContact O-N 2.85Å; N1096-E1100 PolarHBondContact O-N 3.36Å; N1096-E1100 VanDerWaalsContact O-N 3.09Å
1097S57Low69Low55 Ų55100.4 Ų100.439%0.38552%0.517SS..Hα-helixtrans-65.4-29.6173.2-1700000112.9A1093 S1094 N1101A1093-S1097 WeakPolarHBondContact O-CB 3.34Å; A1093-S1097 PolarHBondContact O-N 2.68Å; S1094-S1097 PolarHBondContact O-N 2.86Å; S1097-N1101 VanDerWaalsContact O-CB 3.27Å; S1097-N1101 WeakPolarHBondContact O-CB 3.41Å; S1097-N1101 PolarHBondContact O-N 2.83Å; S1097-N1101 PolarHBondContact O-ND2 2.76Å; S1097-N1101 PolarHBondContact OG-ND2 2.88Å
1098S57.3Low69.1Low60 Ų60100.6 Ų100.642%0.4252%0.521SS..Hα-helixtrans-65.5-44.6176.4-168.80000111.9S1094 T1095 N1096 N1101 K1102S1094-S1098 WeakPolarHBondContact O-CB 3.42Å; S1094-S1098 PolarHBondContact O-N 3.22Å; T1095-S1098 WeakPolarHBondContact O-CB 3.37Å; T1095-S1098 PolarHBondContact O-N 3.36Å; T1095-S1098 VanDerWaalsContact O-N 3.16Å; N1096-S1098 VanDerWaalsContact C-N 3.29Å; N1096-S1098 PolarHBondContact O-N 2.84Å; S1098-N1101 PolarHBondContact O-N 3.3Å; S1098-K1102 WeakPolarHBondContact O-CG 3.14Å; S1098-K1102 PolarHBondContact O-N 2.85Å
1099D69.6Low69.2Low92 Ų9298 Ų9849%0.49251%0.513SS..Hα-helixtrans-74.4-32.6178.1-75.1-25.8000112.5T1095 N1096 K1102 L1103T1095-D1099 PolarHBondContact O-N 3.21Å; N1096-D1099 PolarHBondContact O-N 2.85Å; D1099-K1102 PolarHBondContact O-N 3.35Å; D1099-K1102 WeakPolarHBondContact OD1-CD 3.32Å; D1099-K1102 WeakPolarHBondContact OD1-CE 3.47Å; D1099-K1102 IonicContact OD1-NZ 2.69Å; D1099-K1102 PolarHBondContact OD1-NZ 3.02Å; D1099-L1103 PolarHBondContact O-N 3.31Å
1100E70.3Confident69.5Low129 Ų12995.4 Ų95.460%0.60351%0.511SS*.Hα-helixtrans-65.4-38.9169.5-165.6166.9-131.600111.7N1096 L1103 L1104N1096-E1100 PolarHBondContact O-N 3.36Å; N1096-E1100 VanDerWaalsContact O-N 3.09Å; E1100-L1103 PolarHBondContact O-N 3.37Å; E1100-L1104 WeakPolarHBondContact O-CB 3.5Å; E1100-L1104 WeakPolarHBondContact O-CG 3.33Å; E1100-L1104 PolarHBondContact O-N 3.32Å
1101N68Low70Confident92 Ų9294.6 Ų94.649%0.49251%0.505SS..Hα-helixtrans-65.7-36.1171.2-87.4-75.7000112.9S1097 S1098 L1103 L1104 K1105S1097-N1101 VanDerWaalsContact O-CB 3.27Å; S1097-N1101 WeakPolarHBondContact O-CB 3.41Å; S1097-N1101 PolarHBondContact O-N 2.83Å; S1097-N1101 PolarHBondContact O-ND2 2.76Å; S1097-N1101 PolarHBondContact OG-ND2 2.88Å; S1098-N1101 PolarHBondContact O-N 3.3Å; N1101-L1103 VanDerWaalsContact C-N 3.35Å; N1101-L1104 PolarHBondContact O-N 3.29Å; N1101-K1105 VanDerWaalsContact O-CB 3.26Å; N1101-K1105 WeakPolarHBondContact O-CB 3.33Å; N1101-K1105 PolarHBondContact O-N 3.44Å
1102K73.2Confident70.2Confident120 Ų12094.5 Ų94.552%0.52250%0.499SS..Hα-helixtrans-62.2-42.7170.8-73.2174.1-162.5153.60111.4S1098 D1099 K1105 Q1106S1098-K1102 WeakPolarHBondContact O-CG 3.14Å; S1098-K1102 PolarHBondContact O-N 2.85Å; D1099-K1102 PolarHBondContact O-N 3.35Å; D1099-K1102 WeakPolarHBondContact OD1-CD 3.32Å; D1099-K1102 WeakPolarHBondContact OD1-CE 3.47Å; D1099-K1102 IonicContact OD1-NZ 2.69Å; D1099-K1102 PolarHBondContact OD1-NZ 3.02Å; K1102-K1105 PolarHBondContact O-N 3.15Å; K1102-Q1106 PolarHBondContact O-N 2.74Å
1103L75Confident70.5Confident96 Ų9692.8 Ų92.850%0.50350%0.499SS..Hα-helixtrans-67.7-38.7179-169.668.9000111.9D1099 E1100 N1101 K1107D1099-L1103 PolarHBondContact O-N 3.31Å; E1100-L1103 PolarHBondContact O-N 3.37Å; N1101-L1103 VanDerWaalsContact C-N 3.35Å; L1103-K1107 WeakPolarHBondContact O-CG 3.27Å; L1103-K1107 PolarHBondContact O-N 2.83Å; L1103-K1107 VanDerWaalsContact O-N 3.07Å
1104L72.7Confident71.1Confident97 Ų9796.1 Ų96.151%0.50850%0.503SS..Hα-helixtrans-65.7-38.8171.2-74.2168.3000111.9E1100 N1101 K1107 L1108E1100-L1104 WeakPolarHBondContact O-CB 3.5Å; E1100-L1104 WeakPolarHBondContact O-CG 3.33Å; E1100-L1104 PolarHBondContact O-N 3.32Å; N1101-L1104 PolarHBondContact O-N 3.29Å; L1104-K1107 CarbonylContact O-C 3.6Å; L1104-K1107 WeakPolarHBondContact O-CB 3.25Å; L1104-K1107 PolarHBondContact O-N 3.42Å; L1104-L1108 WeakPolarHBondContact O-CB 3.35Å; L1104-L1108 PolarHBondContact O-N 3.15Å
1105K73.8Confident71.8Confident133 Ų13396.6 Ų96.658%0.57850%0.5SS*.Hα-helixtrans-69.4-41.7177.6-163.5148.1-172.81660112.2N1101 K1102 K1107 L1108 D1109N1101-K1105 VanDerWaalsContact O-CB 3.26Å; N1101-K1105 WeakPolarHBondContact O-CB 3.33Å; N1101-K1105 PolarHBondContact O-N 3.44Å; K1102-K1105 PolarHBondContact O-N 3.15Å; K1105-K1107 VanDerWaalsContact C-N 3.28Å; K1105-K1107 PolarHBondContact O-N 3.09Å; K1105-L1108 CarbonylContact O-C 3.58Å; K1105-L1108 WeakPolarHBondContact O-CA 3.34Å; K1105-L1108 WeakPolarHBondContact O-CB 3.13Å; K1105-L1108 PolarHBondContact O-N 3.35Å; K1105-D1109 PolarHBondContact O-N 2.8Å
1106Q76.4Confident72.5Confident135 Ų135100.6 Ų100.663%0.63151%0.507SS*.Hα-helixtrans-60.3-35.5169.7-75.8-173.8-16.400112.9K1102 S1110K1102-Q1106 PolarHBondContact O-N 2.74Å; Q1106-S1110 WeakPolarHBondContact O-CB 3.39Å; Q1106-S1110 PolarHBondContact O-N 3.49Å
1107K75.7Confident73.1Confident128 Ų128100.5 Ų100.556%0.55750%0.504SS*.Hα-helixtrans-67.5-39.8171.2-79.3175.8176174.80112.1L1103 L1104 K1105 S1110 M1111L1103-K1107 WeakPolarHBondContact O-CG 3.27Å; L1103-K1107 PolarHBondContact O-N 2.83Å; L1103-K1107 VanDerWaalsContact O-N 3.07Å; L1104-K1107 CarbonylContact O-C 3.6Å; L1104-K1107 WeakPolarHBondContact O-CB 3.25Å; L1104-K1107 PolarHBondContact O-N 3.42Å; K1105-K1107 VanDerWaalsContact C-N 3.28Å; K1105-K1107 PolarHBondContact O-N 3.09Å; K1107-S1110 PolarHBondContact O-N 2.84Å; K1107-M1111 WeakPolarHBondContact O-CB 3.18Å; K1107-M1111 VanDerWaalsContact O-CG 3.28Å; K1107-M1111 WeakPolarHBondContact O-CG 3.4Å; K1107-M1111 PolarHBondContact O-N 2.63Å
1108L74.5Confident74Confident101 Ų101102.9 Ų102.953%0.52951%0.511SS..Hα-helixtrans-64.3-49.7176.7-168.270.3000110.8L1104 K1105 S1110 M1111 E1112L1104-L1108 WeakPolarHBondContact O-CB 3.35Å; L1104-L1108 PolarHBondContact O-N 3.15Å; K1105-L1108 CarbonylContact O-C 3.58Å; K1105-L1108 WeakPolarHBondContact O-CA 3.34Å; K1105-L1108 WeakPolarHBondContact O-CB 3.13Å; K1105-L1108 PolarHBondContact O-N 3.35Å; L1108-S1110 VanDerWaalsContact C-N 3.28Å; L1108-S1110 PolarHBondContact O-N 3.36Å; L1108-M1111 CarbonylContact O-C 3.59Å; L1108-M1111 PolarHBondContact O-N 3.44Å; L1108-M1111 VanDerWaalsContact O-N 3.09Å; L1108-E1112 PolarHBondContact O-N 2.82Å
1109D77.8Confident74.9Confident84 Ų84107.5 Ų107.545%0.44952%0.52SS..Hα-helixtrans-58.8-39.4176.5-59.8-26.6000111.4K1105 S1113K1105-D1109 PolarHBondContact O-N 2.8Å; D1109-S1113 WeakPolarHBondContact O-CB 3.1Å; D1109-S1113 PolarHBondContact O-N 2.88Å
1110S80.4Confident75.2Confident71 Ų71108.4 Ų108.450%0.49753%0.525SS..Hα-helixtrans-67.6-38.8174.7-177.10000113Q1106 K1107 L1108 S1113 K1114Q1106-S1110 WeakPolarHBondContact O-CB 3.39Å; Q1106-S1110 PolarHBondContact O-N 3.49Å; K1107-S1110 PolarHBondContact O-N 2.84Å; L1108-S1110 VanDerWaalsContact C-N 3.28Å; L1108-S1110 PolarHBondContact O-N 3.36Å; S1110-S1113 PolarHBondContact O-N 3.43Å; S1110-K1114 PolarHBondContact O-N 2.84Å
1111M75.9Confident75.5Confident104 Ų104107.1 Ų107.151%0.51252%0.519SS..Hα-helixtrans-72-37.2175-74.1-65.2-66.900112.1K1107 L1108 K1114 N1115K1107-M1111 WeakPolarHBondContact O-CB 3.18Å; K1107-M1111 VanDerWaalsContact O-CG 3.28Å; K1107-M1111 WeakPolarHBondContact O-CG 3.4Å; K1107-M1111 PolarHBondContact O-N 2.63Å; L1108-M1111 CarbonylContact O-C 3.59Å; L1108-M1111 PolarHBondContact O-N 3.44Å; L1108-M1111 VanDerWaalsContact O-N 3.09Å; M1111-K1114 PolarHBondContact O-N 3.32Å; M1111-N1115 WeakPolarHBondContact O-CB 3.26Å; M1111-N1115 VanDerWaalsContact O-CG 3.26Å; M1111-N1115 PolarHBondContact O-N 3.41Å
1112E75.6Confident75.8Confident80 Ų80107 Ų10737%0.37452%0.518SS..Hα-helixtrans-63.2-43.3169.8-82.3-161-151.500111.7L1108 K1114 N1115 R1116L1108-E1112 PolarHBondContact O-N 2.82Å; E1112-K1114 VanDerWaalsContact C-N 3.29Å; E1112-K1114 PolarHBondContact O-N 2.65Å; E1112-N1115 PolarHBondContact O-N 3.08Å; E1112-R1116 WeakPolarHBondContact O-CB 3.38Å; E1112-R1116 VanDerWaalsContact O-CG 3.28Å; E1112-R1116 WeakPolarHBondContact O-CG 3.3Å; E1112-R1116 PolarHBondContact O-N 2.98Å; E1112-R1116 IonicContact OE2-CZ 3.93Å; E1112-R1116 IonicContact OE2-NE 3.69Å; E1112-R1116 IonicContact OE2-NH2 3.82Å; E1112-R1116 PolarHBondContact OE2-NH2 3.36Å
1113S76.4Confident76Confident68 Ų68105.3 Ų105.348%0.47651%0.512SS..Hα-helixtrans-61.5-39175.3-169.40000111.6D1109 S1110 M1117D1109-S1113 WeakPolarHBondContact O-CB 3.1Å; D1109-S1113 PolarHBondContact O-N 2.88Å; S1110-S1113 PolarHBondContact O-N 3.43Å; S1113-M1117 WeakPolarHBondContact O-CG 3.38Å; S1113-M1117 PolarHBondContact O-N 2.84Å
1114K78.7Confident76.2Confident126 Ų126105 Ų10555%0.54851%0.514SS..Hα-helixtrans-65.6-43171.3-86.7-172.5171.8-175.30112.8S1110 M1111 E1112 R1116 M1117 M1118S1110-K1114 PolarHBondContact O-N 2.84Å; M1111-K1114 PolarHBondContact O-N 3.32Å; E1112-K1114 VanDerWaalsContact C-N 3.29Å; E1112-K1114 PolarHBondContact O-N 2.65Å; K1114-R1116 VanDerWaalsContact C-N 3.33Å; K1114-R1116 PolarHBondContact O-N 3.23Å; K1114-M1117 WeakPolarHBondContact O-CB 3.41Å; K1114-M1117 PolarHBondContact O-N 3.12Å; K1114-M1118 WeakPolarHBondContact O-CG 3.35Å; K1114-M1118 PolarHBondContact O-N 3.49Å
1115N71.2Confident76.4Confident75 Ų75104.7 Ų104.740%0.40152%0.516SS..Hα-helixtrans-65.2-37.7177.8-73.7-12.8000111.5M1111 E1112 M1118 Y1119M1111-N1115 WeakPolarHBondContact O-CB 3.26Å; M1111-N1115 VanDerWaalsContact O-CG 3.26Å; M1111-N1115 PolarHBondContact O-N 3.41Å; E1112-N1115 PolarHBondContact O-N 3.08Å; N1115-M1118 PolarHBondContact O-N 3.31Å; N1115-M1118 VanDerWaalsContact OD1-CE 3.28Å; N1115-M1118 WeakPolarHBondContact OD1-CE 3.44Å; N1115-Y1119 WeakPolarHBondContact O-CB 3.43Å; N1115-Y1119 WeakPolarHBondContact O-CD2 3.47Å; N1115-Y1119 PolarHBondContact O-N 3.35Å
1116R77.5Confident76.5Confident158 Ų158102.8 Ų102.860%0.59651%0.508SS*.Hα-helixtrans-66-39.1172.4-67.7174.5-156.5-151.48111.8E1112 K1114 Y1119 N1120E1112-R1116 WeakPolarHBondContact O-CB 3.38Å; E1112-R1116 VanDerWaalsContact O-CG 3.28Å; E1112-R1116 WeakPolarHBondContact O-CG 3.3Å; E1112-R1116 PolarHBondContact O-N 2.98Å; E1112-R1116 IonicContact OE2-CZ 3.93Å; E1112-R1116 IonicContact OE2-NE 3.69Å; E1112-R1116 IonicContact OE2-NH2 3.82Å; E1112-R1116 PolarHBondContact OE2-NH2 3.36Å; K1114-R1116 VanDerWaalsContact C-N 3.33Å; K1114-R1116 PolarHBondContact O-N 3.23Å; R1116-Y1119 PolarHBondContact O-N 3.16Å; R1116-N1120 WeakPolarHBondContact O-CB 3.48Å; R1116-N1120 PolarHBondContact O-N 2.93Å; R1116-N1120 PolarHBondContact O-ND2 2.86Å
1117M77.8Confident76.6Confident106 Ų106100.7 Ų100.752%0.52250%0.5SS..Hα-helixtrans-61.3-50.9170.6-79.3-176.262.800111.8S1113 K1114 Y1119 N1120 E1121S1113-M1117 WeakPolarHBondContact O-CG 3.38Å; S1113-M1117 PolarHBondContact O-N 2.84Å; K1114-M1117 WeakPolarHBondContact O-CB 3.41Å; K1114-M1117 PolarHBondContact O-N 3.12Å; M1117-Y1119 VanDerWaalsContact C-N 3.29Å; M1117-Y1119 PolarHBondContact O-N 2.95Å; M1117-N1120 PolarHBondContact O-N 2.92Å; M1117-N1120 VanDerWaalsContact O-N 3.1Å; M1117-E1121 WeakPolarHBondContact O-CG 3.49Å; M1117-E1121 PolarHBondContact O-N 3.29Å
1118M76.2Confident76.6Confident106 Ų10697.6 Ų97.652%0.52250%0.495SS..Hα-helixtrans-63.8-32.3178.8-68.8-169.6-5600112.7K1114 N1115 L1122K1114-M1118 WeakPolarHBondContact O-CG 3.35Å; K1114-M1118 PolarHBondContact O-N 3.49Å; N1115-M1118 PolarHBondContact O-N 3.31Å; N1115-M1118 VanDerWaalsContact OD1-CE 3.28Å; N1115-M1118 WeakPolarHBondContact OD1-CE 3.44Å; M1118-L1122 WeakPolarHBondContact O-CB 3.28Å; M1118-L1122 PolarHBondContact O-N 2.82Å
1119Y75.9Confident76.8Confident157 Ų157101.6 Ų101.662%0.61650%0.503SS*.Hα-helixtrans-66.4-43.7171.1-104.7-82.9000112N1115 R1116 M1117 L1122 E1123N1115-Y1119 WeakPolarHBondContact O-CB 3.43Å; N1115-Y1119 WeakPolarHBondContact O-CD2 3.47Å; N1115-Y1119 PolarHBondContact O-N 3.35Å; R1116-Y1119 PolarHBondContact O-N 3.16Å; M1117-Y1119 VanDerWaalsContact C-N 3.29Å; M1117-Y1119 PolarHBondContact O-N 2.95Å; Y1119-L1122 PolarHBondContact O-N 3.43Å; Y1119-E1123 PolarHBondContact O-N 3.24Å
1120N75.3Confident76.7Confident111 Ų111103 Ų10359%0.59451%0.507SS*.Hα-helixtrans-64.8-41.5175.5-69.5-16.9000111.5R1116 M1117 E1123 T1124R1116-N1120 WeakPolarHBondContact O-CB 3.48Å; R1116-N1120 PolarHBondContact O-N 2.93Å; R1116-N1120 PolarHBondContact O-ND2 2.86Å; M1117-N1120 PolarHBondContact O-N 2.92Å; M1117-N1120 VanDerWaalsContact O-N 3.1Å; N1120-E1123 PolarHBondContact O-N 3.1Å; N1120-T1124 WeakPolarHBondContact O-CG2 3.41Å; N1120-T1124 PolarHBondContact O-N 3.05Å; N1120-T1124 PolarHBondContact O-OG1 2.89Å
1121E78Confident76.6Confident102 Ų102104.3 Ų104.348%0.47751%0.508SS..Hα-helixtrans-61-47.4173.8-72.9169.1-178.900110.6M1117 E1123 T1124 V1125M1117-E1121 WeakPolarHBondContact O-CG 3.49Å; M1117-E1121 PolarHBondContact O-N 3.29Å; E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 2.87Å; E1121-T1124 WeakPolarHBondContact CA-OG1 3.2Å; E1121-T1124 PolarHBondContact O-N 3.22Å; E1121-T1124 PolarHBondContact O-OG1 3.23Å; E1121-V1125 WeakPolarHBondContact O-CG2 3.49Å; E1121-V1125 PolarHBondContact O-N 3.12Å
1122L74.2Confident76.7Confident90 Ų90104.1 Ų104.147%0.47151%0.509SS..Hα-helixtrans-58-40.2174.2-172.571.9000112M1118 Y1119 V1125 K1126M1118-L1122 WeakPolarHBondContact O-CB 3.28Å; M1118-L1122 PolarHBondContact O-N 2.82Å; Y1119-L1122 PolarHBondContact O-N 3.43Å; L1122-V1125 PolarHBondContact O-N 2.81Å; L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.45Å
1123E77.9Confident76.8Confident84 Ų84104.9 Ų104.939%0.39351%0.512SS..Hα-helixtrans-69-39176.7-143.364.6-14700112.1Y1119 N1120 E1121 V1125 K1126 L1127Y1119-E1123 PolarHBondContact O-N 3.24Å; N1120-E1123 PolarHBondContact O-N 3.1Å; E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 2.87Å; E1123-V1125 VanDerWaalsContact C-N 3.3Å; E1123-V1125 PolarHBondContact O-N 3.49Å; E1123-K1126 VanDerWaalsContact CD-NZ 3.25Å; E1123-K1126 WeakPolarHBondContact O-CB 3.46Å; E1123-K1126 PolarHBondContact O-N 2.89Å; E1123-K1126 VanDerWaalsContact OE1-CD 3.24Å; E1123-K1126 WeakPolarHBondContact OE1-CD 3.01Å; E1123-K1126 IonicContact OE1-NZ 3.11Å; E1123-K1126 PolarHBondContact OE1-NZ 2.92Å; E1123-K1126 VanDerWaalsContact OE1-NZ 3.08Å; E1123-K1126 IonicContact OE2-NZ 2.71Å; E1123-K1126 PolarHBondContact OE2-NZ 3.01Å; E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 3.15Å
1124T77.7Confident76.9Confident88 Ų88106 Ų10654%0.5451%0.512SS..Hα-helixtrans-65.4-32.7171.360.40000112.5N1120 E1121 S1128N1120-T1124 WeakPolarHBondContact O-CG2 3.41Å; N1120-T1124 PolarHBondContact O-N 3.05Å; N1120-T1124 PolarHBondContact O-OG1 2.89Å; E1121-T1124 WeakPolarHBondContact CA-OG1 3.2Å; E1121-T1124 PolarHBondContact O-N 3.22Å; E1121-T1124 PolarHBondContact O-OG1 3.23Å; T1124-S1128 VanDerWaalsContact O-CB 3.29Å; T1124-S1128 WeakPolarHBondContact O-CB 3.37Å; T1124-S1128 PolarHBondContact O-N 3.38Å
1125V78.1Confident76.9Confident91 Ų91105.6 Ų105.655%0.55251%0.513SS*.Hα-helixtrans-71.6-36.4173.4170.40000111.5E1121 L1122 E1123 S1128 R1129E1121-V1125 WeakPolarHBondContact O-CG2 3.49Å; E1121-V1125 PolarHBondContact O-N 3.12Å; L1122-V1125 PolarHBondContact O-N 2.81Å; E1123-V1125 VanDerWaalsContact C-N 3.3Å; E1123-V1125 PolarHBondContact O-N 3.49Å; V1125-S1128 PolarHBondContact O-N 2.82Å; V1125-R1129 WeakPolarHBondContact O-CB 3.49Å; V1125-R1129 PolarHBondContact O-N 2.94Å
1126K75.3Confident77.4Confident94 Ų94108.7 Ų108.741%0.40952%0.52SS..Hα-helixtrans-61.9-49.3170.2-72.3171.2-172.6167.40111.3L1122 E1123 S1128 R1129 E1130L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.45Å; E1123-K1126 VanDerWaalsContact CD-NZ 3.25Å; E1123-K1126 WeakPolarHBondContact O-CB 3.46Å; E1123-K1126 PolarHBondContact O-N 2.89Å; E1123-K1126 VanDerWaalsContact OE1-CD 3.24Å; E1123-K1126 WeakPolarHBondContact OE1-CD 3.01Å; E1123-K1126 IonicContact OE1-NZ 3.11Å; E1123-K1126 PolarHBondContact OE1-NZ 2.92Å; E1123-K1126 VanDerWaalsContact OE1-NZ 3.08Å; E1123-K1126 IonicContact OE2-NZ 2.71Å; E1123-K1126 PolarHBondContact OE2-NZ 3.01Å; K1126-S1128 VanDerWaalsContact C-N 3.3Å; K1126-S1128 PolarHBondContact O-N 3.32Å; K1126-R1129 CarbonylContact O-C 3.54Å; K1126-R1129 WeakPolarHBondContact O-CB 3.3Å; K1126-R1129 PolarHBondContact O-N 2.79Å; K1126-E1130 WeakPolarHBondContact O-CB 3.27Å; K1126-E1130 PolarHBondContact O-N 3.29Å
1127L78.1Confident77.5Confident91 Ų91104.7 Ų104.748%0.47651%0.51SS..Hα-helixtrans-61.6-38.4176.7-72.3165.5000111.6E1123 E1130 N1131E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 3.15Å; L1127-E1130 PolarHBondContact O-N 2.79Å; L1127-N1131 WeakPolarHBondContact O-CB 3.14Å; L1127-N1131 VanDerWaalsContact O-CG 3.26Å; L1127-N1131 PolarHBondContact O-N 3.18Å; L1127-N1131 PolarHBondContact O-ND2 3.13Å
1128S76.5Confident77.6Confident62 Ų62105 Ų10543%0.43451%0.51SS..Hα-helixtrans-63.3-40.8171.6-173.20000112.1T1124 V1125 K1126 L1132T1124-S1128 VanDerWaalsContact O-CB 3.29Å; T1124-S1128 WeakPolarHBondContact O-CB 3.37Å; T1124-S1128 PolarHBondContact O-N 3.38Å; V1125-S1128 PolarHBondContact O-N 2.82Å; K1126-S1128 VanDerWaalsContact C-N 3.3Å; K1126-S1128 PolarHBondContact O-N 3.32Å; S1128-L1132 WeakPolarHBondContact O-CB 3.37Å; S1128-L1132 VanDerWaalsContact O-CG 3.28Å; S1128-L1132 WeakPolarHBondContact O-CG 3.34Å; S1128-L1132 PolarHBondContact O-N 3.43Å
1129R78.3Confident77.7Confident186 Ų186105.2 Ų105.270%0.70251%0.512SS*.Hα-helixtrans-69.6-36.9177.1-165.3-173.676.2165.84.7111.7V1125 K1126 L1132 Q1133V1125-R1129 WeakPolarHBondContact O-CB 3.49Å; V1125-R1129 PolarHBondContact O-N 2.94Å; K1126-R1129 CarbonylContact O-C 3.54Å; K1126-R1129 WeakPolarHBondContact O-CB 3.3Å; K1126-R1129 PolarHBondContact O-N 2.79Å; R1129-L1132 PolarHBondContact O-N 3.05Å; R1129-Q1133 VanDerWaalsContact O-CB 3.25Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.37Å; R1129-Q1133 PolarHBondContact O-N 3.2Å
1130E76.6Confident77.8Confident114 Ų114100.8 Ų100.853%0.53350%0.497SS..Hα-helixtrans-68.9-41.8176.5-171.5166.5-141.700111.2K1126 L1127 Q1133 N1134K1126-E1130 WeakPolarHBondContact O-CB 3.27Å; K1126-E1130 PolarHBondContact O-N 3.29Å; L1127-E1130 PolarHBondContact O-N 2.79Å; E1130-Q1133 PolarHBondContact O-N 2.75Å; E1130-N1134 WeakPolarHBondContact O-CB 3.21Å; E1130-N1134 VanDerWaalsContact O-CG 3.22Å; E1130-N1134 PolarHBondContact O-N 3.28Å; E1130-N1134 PolarHBondContact O-ND2 3.04Å; E1130-N1134 VanDerWaalsContact O-ND2 3.07Å
1131N78.3Confident78Confident97 Ų97100 Ų10052%0.51949%0.493SS..Hα-helixtrans-62.1-46.3170.8-72.8-26000111.9L1127 Q1133 N1134 E1135L1127-N1131 WeakPolarHBondContact O-CB 3.14Å; L1127-N1131 VanDerWaalsContact O-CG 3.26Å; L1127-N1131 PolarHBondContact O-N 3.18Å; L1127-N1131 PolarHBondContact O-ND2 3.13Å; N1131-Q1133 VanDerWaalsContact C-N 3.31Å; N1131-Q1133 PolarHBondContact O-N 3.42Å; N1131-N1134 CarbonylContact O-C 3.59Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1131-N1134 VanDerWaalsContact O-N 3.14Å; N1131-E1135 PolarHBondContact O-N 3.48Å
1132L76.5Confident78.1Confident101 Ų101100.3 Ų100.353%0.52950%0.495SS..Hα-helixtrans-64.7-32.7175.2-75.4167.5000112.7S1128 R1129 Y1136S1128-L1132 WeakPolarHBondContact O-CB 3.37Å; S1128-L1132 VanDerWaalsContact O-CG 3.28Å; S1128-L1132 WeakPolarHBondContact O-CG 3.34Å; S1128-L1132 PolarHBondContact O-N 3.43Å; R1129-L1132 PolarHBondContact O-N 3.05Å; L1132-Y1136 VanDerWaalsContact O-CB 3.26Å; L1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; L1132-Y1136 PolarHBondContact O-N 3.37Å
1133Q78.6Confident78.2Confident95 Ų95100 Ų10044%0.44449%0.493SS..Hα-helixtrans-69.4-37.9172.7-172.365.160.500110.9R1129 E1130 N1131 Y1136 N1137R1129-Q1133 VanDerWaalsContact O-CB 3.25Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.37Å; R1129-Q1133 PolarHBondContact O-N 3.2Å; E1130-Q1133 PolarHBondContact O-N 2.75Å; N1131-Q1133 VanDerWaalsContact C-N 3.31Å; N1131-Q1133 PolarHBondContact O-N 3.42Å; Q1133-Y1136 PolarHBondContact O-N 2.93Å; Q1133-N1137 PolarHBondContact NE2-OD1 3.24Å; Q1133-N1137 VanDerWaalsContact O-CB 3.26Å; Q1133-N1137 WeakPolarHBondContact O-CB 3.15Å; Q1133-N1137 PolarHBondContact O-N 2.84Å; Q1133-N1137 PolarHBondContact O-ND2 3.05Å; Q1133-N1137 PolarHBondContact O-OD1 2.78Å
1134N77.8Confident78.2Confident91 Ų9198.7 Ų98.749%0.48749%0.488SS..Hα-helixtrans-69-38.2174.7-71.4-36000111.9E1130 N1131 H1138E1130-N1134 WeakPolarHBondContact O-CB 3.21Å; E1130-N1134 VanDerWaalsContact O-CG 3.22Å; E1130-N1134 PolarHBondContact O-N 3.28Å; E1130-N1134 PolarHBondContact O-ND2 3.04Å; E1130-N1134 VanDerWaalsContact O-ND2 3.07Å; N1131-N1134 CarbonylContact O-C 3.59Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1131-N1134 VanDerWaalsContact O-N 3.14Å; N1134-H1138 VanDerWaalsContact O-CB 3.28Å; N1134-H1138 WeakPolarHBondContact O-CB 3.36Å; N1134-H1138 PolarHBondContact O-N 2.92Å
1135E78.9Confident78.3Confident118 Ų11899.5 Ų99.555%0.55148%0.484SS*.Hα-helixtrans-66.2-43.5171-73.3-176.416300111.7N1131 H1138 I1139N1131-E1135 PolarHBondContact O-N 3.48Å; E1135-H1138 PolarHBondContact O-N 3.08Å; E1135-I1139 WeakPolarHBondContact O-CB 3.38Å; E1135-I1139 VanDerWaalsContact O-CG1 3.28Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; E1135-I1139 PolarHBondContact O-N 2.85Å
1136Y81.5Confident78.3Confident140 Ų140100.1 Ų100.155%0.54948%0.484SS..Hα-helixtrans-59.5-47.6173.4176.8-92.9000111.4L1132 Q1133 H1138 I1139 Q1140L1132-Y1136 VanDerWaalsContact O-CB 3.26Å; L1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; L1132-Y1136 PolarHBondContact O-N 3.37Å; Q1133-Y1136 PolarHBondContact O-N 2.93Å; Y1136-H1138 VanDerWaalsContact C-N 3.29Å; Y1136-H1138 PolarHBondContact O-N 3.47Å; Y1136-I1139 PolarHBondContact O-N 3.03Å; Y1136-Q1140 WeakPolarHBondContact O-CB 3.3Å; Y1136-Q1140 PolarHBondContact O-N 3.09Å
1137N80.1Confident78.4Confident74 Ų74102.3 Ų102.340%0.39649%0.49SS..Hα-helixtrans-60.5-40175.7-67.2-8.5000110.7Q1133 Q1140 D1141Q1133-N1137 PolarHBondContact NE2-OD1 3.24Å; Q1133-N1137 VanDerWaalsContact O-CB 3.26Å; Q1133-N1137 WeakPolarHBondContact O-CB 3.15Å; Q1133-N1137 PolarHBondContact O-N 2.84Å; Q1133-N1137 PolarHBondContact O-ND2 3.05Å; Q1133-N1137 PolarHBondContact O-OD1 2.78Å; N1137-Q1140 WeakPolarHBondContact O-CB 3.36Å; N1137-Q1140 PolarHBondContact O-N 2.83Å; N1137-D1141 VanDerWaalsContact O-CB 3.31Å; N1137-D1141 WeakPolarHBondContact O-CB 3.33Å; N1137-D1141 PolarHBondContact O-N 3.22Å
1138H79.1Confident78.3Confident113 Ų113103.5 Ų103.552%0.52350%0.496SS..Hα-helixtrans-68-40.3177.5-170.456.6000112.8N1134 E1135 Y1136 D1141 E1142N1134-H1138 VanDerWaalsContact O-CB 3.28Å; N1134-H1138 WeakPolarHBondContact O-CB 3.36Å; N1134-H1138 PolarHBondContact O-N 2.92Å; E1135-H1138 PolarHBondContact O-N 3.08Å; Y1136-H1138 VanDerWaalsContact C-N 3.29Å; Y1136-H1138 PolarHBondContact O-N 3.47Å; H1138-D1141 CarbonylContact O-C 3.58Å; H1138-D1141 VanDerWaalsContact O-CB 3.31Å; H1138-D1141 WeakPolarHBondContact O-CB 3.26Å; H1138-D1141 PolarHBondContact O-N 3.36Å; H1138-E1142 WeakPolarHBondContact O-CG 3.26Å; H1138-E1142 PolarHBondContact O-N 3.08Å
1139I78.5Confident78.3Confident111 Ų111107.3 Ų107.357%0.56951%0.505SS*.Hα-helixtrans-66.3-39.1174.2-69.9165000110.5E1135 Y1136 E1142 L1143E1135-I1139 WeakPolarHBondContact O-CB 3.38Å; E1135-I1139 VanDerWaalsContact O-CG1 3.28Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; E1135-I1139 PolarHBondContact O-N 2.85Å; Y1136-I1139 PolarHBondContact O-N 3.03Å; I1139-E1142 PolarHBondContact O-N 2.68Å; I1139-L1143 WeakPolarHBondContact O-CB 3.4Å; I1139-L1143 PolarHBondContact O-N 2.8Å
1140Q78.9Confident78.1Confident64 Ų64103.4 Ų103.430%0.29950%0.498SS..Hα-helixtrans-61.9-45.2172-173.165.437.400110.6Y1136 N1137 E1142 L1143 D1144Y1136-Q1140 WeakPolarHBondContact O-CB 3.3Å; Y1136-Q1140 PolarHBondContact O-N 3.09Å; N1137-Q1140 WeakPolarHBondContact O-CB 3.36Å; N1137-Q1140 PolarHBondContact O-N 2.83Å; Q1140-E1142 VanDerWaalsContact C-N 3.29Å; Q1140-E1142 PolarHBondContact O-N 3.41Å; Q1140-L1143 WeakPolarHBondContact O-CB 3.46Å; Q1140-L1143 PolarHBondContact O-N 3.01Å; Q1140-L1143 VanDerWaalsContact O-N 3.13Å; Q1140-D1144 PolarHBondContact NE2-OD2 3.45Å; Q1140-D1144 PolarHBondContact O-N 3.21Å
1141D78.8Confident78Confident93 Ų93103.3 Ų103.350%0.49750%0.497SS..Hα-helixtrans-61.1-33.5174.9-130.344.8000112.6N1137 H1138 K1145N1137-D1141 VanDerWaalsContact O-CB 3.31Å; N1137-D1141 WeakPolarHBondContact O-CB 3.33Å; N1137-D1141 PolarHBondContact O-N 3.22Å; H1138-D1141 CarbonylContact O-C 3.58Å; H1138-D1141 VanDerWaalsContact O-CB 3.31Å; H1138-D1141 WeakPolarHBondContact O-CB 3.26Å; H1138-D1141 PolarHBondContact O-N 3.36Å; D1141-K1145 VanDerWaalsContact CG-NZ 3.27Å; D1141-K1145 WeakPolarHBondContact O-CB 3.37Å; D1141-K1145 WeakPolarHBondContact O-CD 3.37Å; D1141-K1145 VanDerWaalsContact O-CE 3.3Å; D1141-K1145 WeakPolarHBondContact O-CE 3.47Å; D1141-K1145 WeakPolarHBondContact O-CG 3.42Å; D1141-K1145 PolarHBondContact O-N 3.45Å; D1141-K1145 PolarHBondContact O-NZ 3.31Å; D1141-K1145 IonicContact OD2-NZ 3.45Å; D1141-K1145 PolarHBondContact OD2-NZ 3.39Å
1142E80Confident77.7Confident110 Ų110101 Ų10151%0.51449%0.489SS..Hα-helixtrans-76.3-39171.6-72.5-132.4121.200112H1138 I1139 Q1140 K1145 L1146H1138-E1142 WeakPolarHBondContact O-CG 3.26Å; H1138-E1142 PolarHBondContact O-N 3.08Å; I1139-E1142 PolarHBondContact O-N 2.68Å; Q1140-E1142 VanDerWaalsContact C-N 3.29Å; Q1140-E1142 PolarHBondContact O-N 3.41Å; E1142-K1145 PolarHBondContact O-N 3.26Å; E1142-L1146 WeakPolarHBondContact O-CB 3.38Å; E1142-L1146 VanDerWaalsContact O-CG 3.27Å; E1142-L1146 WeakPolarHBondContact O-CG 3.5Å; E1142-L1146 PolarHBondContact O-N 3.33Å
1143L76Confident77.6Confident83 Ų8399.2 Ų99.244%0.43548%0.482SS..Hα-helixtrans-63.3-42.5177.8-163.384.4000111.2I1139 Q1140 L1146 R1147I1139-L1143 WeakPolarHBondContact O-CB 3.4Å; I1139-L1143 PolarHBondContact O-N 2.8Å; Q1140-L1143 WeakPolarHBondContact O-CB 3.46Å; Q1140-L1143 PolarHBondContact O-N 3.01Å; Q1140-L1143 VanDerWaalsContact O-N 3.13Å; L1143-L1146 CarbonylContact O-C 3.6Å; L1143-L1146 WeakPolarHBondContact O-CB 3.03Å; L1143-L1146 PolarHBondContact O-N 3.01Å; L1143-R1147 WeakPolarHBondContact O-CG 3.48Å; L1143-R1147 PolarHBondContact O-N 3.31Å
1144D78.8Confident77.2Confident56 Ų5698.1 Ų98.130%0.29948%0.482SS..Hα-helixtrans-76.7-30.2178.4-70.1-40000111.8Q1140 L1146 R1147 L1148Q1140-D1144 PolarHBondContact NE2-OD2 3.45Å; Q1140-D1144 PolarHBondContact O-N 3.21Å; D1144-L1146 VanDerWaalsContact C-N 3.34Å; D1144-R1147 PolarHBondContact O-N 3.46Å; D1144-R1147 WeakPolarHBondContact OD1-CD 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.14Å; D1144-R1147 IonicContact OD1-NE 2.7Å; D1144-R1147 IonicContact OD1-NH1 2.71Å; D1144-R1147 PolarHBondContact OD1-NH1 3.37Å; D1144-L1148 WeakPolarHBondContact O-CB 3.31Å; D1144-L1148 WeakPolarHBondContact O-CG 3.49Å; D1144-L1148 PolarHBondContact O-N 2.85Å
1145K80.3Confident76.8Confident105 Ų10598.7 Ų98.746%0.45749%0.489SS..Hα-helixtrans-63.2-38.5164.1-74.5165.3-157.9121.70112D1141 E1142 K1149D1141-K1145 VanDerWaalsContact CG-NZ 3.27Å; D1141-K1145 WeakPolarHBondContact O-CB 3.37Å; D1141-K1145 WeakPolarHBondContact O-CD 3.37Å; D1141-K1145 VanDerWaalsContact O-CE 3.3Å; D1141-K1145 WeakPolarHBondContact O-CE 3.47Å; D1141-K1145 WeakPolarHBondContact O-CG 3.42Å; D1141-K1145 PolarHBondContact O-N 3.45Å; D1141-K1145 PolarHBondContact O-NZ 3.31Å; D1141-K1145 IonicContact OD2-NZ 3.45Å; D1141-K1145 PolarHBondContact OD2-NZ 3.39Å; E1142-K1145 PolarHBondContact O-N 3.26Å; K1145-K1149 WeakPolarHBondContact O-CB 3.44Å; K1145-K1149 PolarHBondContact O-N 3.23Å
1146L76.4Confident76.4Confident105 Ų10599.5 Ų99.555%0.5549%0.49SS..Hα-helixtrans-70.7-35.7175.5-75.7170.8000111.8E1142 L1143 D1144 K1149 N1150E1142-L1146 WeakPolarHBondContact O-CB 3.38Å; E1142-L1146 VanDerWaalsContact O-CG 3.27Å; E1142-L1146 WeakPolarHBondContact O-CG 3.5Å; E1142-L1146 PolarHBondContact O-N 3.33Å; L1143-L1146 CarbonylContact O-C 3.6Å; L1143-L1146 WeakPolarHBondContact O-CB 3.03Å; L1143-L1146 PolarHBondContact O-N 3.01Å; D1144-L1146 VanDerWaalsContact C-N 3.34Å; L1146-K1149 PolarHBondContact O-N 3.49Å; L1146-N1150 WeakPolarHBondContact O-CB 3.49Å; L1146-N1150 PolarHBondContact O-N 3.5Å
1147R77.4Confident75.7Confident140 Ų14096.9 Ų96.953%0.52849%0.489SS..Hα-helixtrans-62.4-54.4170.2-79.2165.5152.9-174.5-7.4111.4L1143 D1144 K1149 N1150 E1151L1143-R1147 WeakPolarHBondContact O-CG 3.48Å; L1143-R1147 PolarHBondContact O-N 3.31Å; D1144-R1147 PolarHBondContact O-N 3.46Å; D1144-R1147 WeakPolarHBondContact OD1-CD 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.14Å; D1144-R1147 IonicContact OD1-NE 2.7Å; D1144-R1147 IonicContact OD1-NH1 2.71Å; D1144-R1147 PolarHBondContact OD1-NH1 3.37Å; R1147-K1149 PolarHBondContact O-N 3.2Å; R1147-N1150 CarbonylContact O-C 3.59Å; R1147-N1150 WeakPolarHBondContact O-CA 3.17Å; R1147-N1150 PolarHBondContact O-N 3.36Å; R1147-E1151 WeakPolarHBondContact O-CB 3.45Å; R1147-E1151 WeakPolarHBondContact O-CG 3.41Å; R1147-E1151 PolarHBondContact O-N 2.91Å
1148L77.2Confident74.7Confident116 Ų11696.3 Ų96.361%0.60749%0.491SS*.Hα-helixtrans-57.2-36.2176.1-73.3167.3000112.3D1144 S1152D1144-L1148 WeakPolarHBondContact O-CB 3.31Å; D1144-L1148 WeakPolarHBondContact O-CG 3.49Å; D1144-L1148 PolarHBondContact O-N 2.85Å; L1148-S1152 VanDerWaalsContact O-CB 3.28Å; L1148-S1152 WeakPolarHBondContact O-CB 3.5Å; L1148-S1152 PolarHBondContact O-N 2.67Å
1149K76.3Confident73.8Confident142 Ų14293.7 Ų93.762%0.61749%0.488SS*.Hα-helixtrans-69.4-39.9173.6-171.4177.2-178.6-177.80112.1K1145 L1146 R1147 S1152 T1153K1145-K1149 WeakPolarHBondContact O-CB 3.44Å; K1145-K1149 PolarHBondContact O-N 3.23Å; L1146-K1149 PolarHBondContact O-N 3.49Å; R1147-K1149 PolarHBondContact O-N 3.2Å; K1149-S1152 WeakPolarHBondContact O-CB 3.46Å; K1149-S1152 PolarHBondContact O-N 2.95Å; K1149-T1153 PolarHBondContact O-N 2.67Å; K1149-T1153 PolarHBondContact O-OG1 3.41Å
1150N74.2Confident73Confident103 Ų10390 Ų9055%0.55148%0.479SS*.Hα-helixtrans-71.7-36.2178.4-164.630.4000112.2L1146 R1147 T1153 T1154L1146-N1150 WeakPolarHBondContact O-CB 3.49Å; L1146-N1150 PolarHBondContact O-N 3.5Å; R1147-N1150 CarbonylContact O-C 3.59Å; R1147-N1150 WeakPolarHBondContact O-CA 3.17Å; R1147-N1150 PolarHBondContact O-N 3.36Å; N1150-T1153 VanDerWaalsContact CA-OG1 3.28Å; N1150-T1153 WeakPolarHBondContact CA-OG1 3.23Å; N1150-T1153 PolarHBondContact O-N 2.68Å; N1150-T1153 PolarHBondContact O-OG1 3.11Å; N1150-T1154 VanDerWaalsContact O-CB 3.27Å; N1150-T1154 WeakPolarHBondContact O-CB 3.39Å; N1150-T1154 PolarHBondContact O-N 2.83Å; N1150-T1154 PolarHBondContact O-OG1 2.95Å
1151E75Confident72Confident112 Ų11291.4 Ų91.452%0.52349%0.487SS..Hα-helixtrans-64.9-43.6168.5-70.9170.9161.400110.3R1147 T1153 T1154 V1155R1147-E1151 WeakPolarHBondContact O-CB 3.45Å; R1147-E1151 WeakPolarHBondContact O-CG 3.41Å; R1147-E1151 PolarHBondContact O-N 2.91Å; E1151-T1153 VanDerWaalsContact C-N 3.33Å; E1151-T1153 PolarHBondContact O-N 2.84Å; E1151-T1154 PolarHBondContact O-N 3.08Å; E1151-T1154 VanDerWaalsContact O-N 3.13Å; E1151-V1155 WeakPolarHBondContact O-CG2 3.2Å; E1151-V1155 PolarHBondContact O-N 3.24Å
1152S72.5Confident70.8Confident50 Ų5093.3 Ų93.335%0.3549%0.493SS..Hα-helixtrans-60.3-39.9173.2-167.50000112.5L1148 K1149 K1156L1148-S1152 VanDerWaalsContact O-CB 3.28Å; L1148-S1152 WeakPolarHBondContact O-CB 3.5Å; L1148-S1152 PolarHBondContact O-N 2.67Å; K1149-S1152 WeakPolarHBondContact O-CB 3.46Å; K1149-S1152 PolarHBondContact O-N 2.95Å; S1152-K1156 WeakPolarHBondContact O-CB 3.26Å; S1152-K1156 VanDerWaalsContact O-CD 3.28Å; S1152-K1156 WeakPolarHBondContact O-CD 3.45Å; S1152-K1156 WeakPolarHBondContact O-CG 3.42Å; S1152-K1156 PolarHBondContact O-N 3.13Å; S1152-K1156 VanDerWaalsContact O-N 3.12Å; S1152-K1156 PolarHBondContact OG-NZ 3.28Å
1153T73.7Confident69.6Low62 Ų6291.1 Ų91.138%0.3849%0.494SS..Hα-helixtrans-73-33.4172.747.40000112.5K1149 N1150 E1151 K1156 V1157K1149-T1153 PolarHBondContact O-N 2.67Å; K1149-T1153 PolarHBondContact O-OG1 3.41Å; N1150-T1153 VanDerWaalsContact CA-OG1 3.28Å; N1150-T1153 WeakPolarHBondContact CA-OG1 3.23Å; N1150-T1153 PolarHBondContact O-N 2.68Å; N1150-T1153 PolarHBondContact O-OG1 3.11Å; E1151-T1153 VanDerWaalsContact C-N 3.33Å; E1151-T1153 PolarHBondContact O-N 2.84Å; T1153-K1156 CarbonylContact O-C 3.52Å; T1153-K1156 PolarHBondContact O-N 3.34Å; T1153-V1157 WeakPolarHBondContact O-CB 3.16Å; T1153-V1157 VanDerWaalsContact O-CG2 3.27Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.97Å
1154T70.6Confident68.4Low73 Ų7391.5 Ų91.545%0.44850%0.499SS..Hα-helixtrans-65.3-47.8175.8-60.80000110.2N1150 E1151 K1156 V1157 S1158N1150-T1154 VanDerWaalsContact O-CB 3.27Å; N1150-T1154 WeakPolarHBondContact O-CB 3.39Å; N1150-T1154 PolarHBondContact O-N 2.83Å; N1150-T1154 PolarHBondContact O-OG1 2.95Å; E1151-T1154 PolarHBondContact O-N 3.08Å; E1151-T1154 VanDerWaalsContact O-N 3.13Å; T1154-K1156 VanDerWaalsContact C-N 3.3Å; T1154-K1156 PolarHBondContact O-N 3.47Å; T1154-V1157 CarbonylContact O-C 3.37Å; T1154-V1157 PolarHBondContact O-N 3.37Å; T1154-V1157 VanDerWaalsContact O-N 3.11Å; T1154-S1158 WeakPolarHBondContact O-CB 3.33Å; T1154-S1158 PolarHBondContact O-N 3.22Å; T1154-S1158 PolarHBondContact O-OG 2.92Å; T1154-S1158 VanDerWaalsContact O-OG 3.06Å
1155V69.5Low67Low102 Ų10295.7 Ų95.762%0.61852%0.517SS*.Hα-helixtrans-59.3-39173171.60000111.6E1151 A1159E1151-V1155 WeakPolarHBondContact O-CG2 3.2Å; E1151-V1155 PolarHBondContact O-N 3.24Å; V1155-A1159 VanDerWaalsContact O-CB 3.26Å; V1155-A1159 WeakPolarHBondContact O-CB 3.26Å; V1155-A1159 PolarHBondContact O-N 3.05Å
1156K70.2Confident65.4Low135 Ų13599.3 Ų99.359%0.58753%0.532SS*.Hα-helixtrans-68.6-35.5174.3-74.2163.3-175.6148.10113.1S1152 T1153 T1154 G1160S1152-K1156 WeakPolarHBondContact O-CB 3.26Å; S1152-K1156 VanDerWaalsContact O-CD 3.28Å; S1152-K1156 WeakPolarHBondContact O-CD 3.45Å; S1152-K1156 WeakPolarHBondContact O-CG 3.42Å; S1152-K1156 PolarHBondContact O-N 3.13Å; S1152-K1156 VanDerWaalsContact O-N 3.12Å; S1152-K1156 PolarHBondContact OG-NZ 3.28Å; T1153-K1156 CarbonylContact O-C 3.52Å; T1153-K1156 PolarHBondContact O-N 3.34Å; T1154-K1156 VanDerWaalsContact C-N 3.3Å; T1154-K1156 PolarHBondContact O-N 3.47Å; K1156-G1160 PolarHBondContact O-N 2.9Å
1157V66.7Low63.8Low86 Ų8698.4 Ų98.452%0.52154%0.535SS..Hα-helixtrans-72.7-40.6174.9167.80000110.6T1153 T1154 G1160 I1161T1153-V1157 WeakPolarHBondContact O-CB 3.16Å; T1153-V1157 VanDerWaalsContact O-CG2 3.27Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.97Å; T1154-V1157 CarbonylContact O-C 3.37Å; T1154-V1157 PolarHBondContact O-N 3.37Å; T1154-V1157 VanDerWaalsContact O-N 3.11Å; V1157-G1160 CarbonylContact O-C 3.54Å; V1157-G1160 PolarHBondContact O-N 3.08Å; V1157-I1161 HydrophobicContact CG1-CD1 3.76Å; V1157-I1161 HydrophobicContact CG1-CG1 4.39Å; V1157-I1161 WeakPolarHBondContact O-CB 3.22Å; V1157-I1161 VanDerWaalsContact O-CG1 3.27Å; V1157-I1161 WeakPolarHBondContact O-CG1 3.5Å; V1157-I1161 PolarHBondContact O-N 3.34Å
1158S59.3Low62.2Low61 Ų6196.8 Ų96.843%0.42754%0.541SS..Hα-helixtrans-63-40.8172-59.90000112.1T1154 I1161 Q1162T1154-S1158 WeakPolarHBondContact O-CB 3.33Å; T1154-S1158 PolarHBondContact O-N 3.22Å; T1154-S1158 PolarHBondContact O-OG 2.92Å; T1154-S1158 VanDerWaalsContact O-OG 3.06Å; S1158-I1161 PolarHBondContact O-N 2.98Å; S1158-Q1162 WeakPolarHBondContact O-CB 3.38Å; S1158-Q1162 WeakPolarHBondContact O-CG 3.1Å; S1158-Q1162 PolarHBondContact O-N 3.26Å
1159A58.9Low60.2Low58 Ų5898.7 Ų98.748%0.47955%0.551SS.*Hα-helixtrans-66-39.8172.600000112V1155 Q1162 A1163V1155-A1159 VanDerWaalsContact O-CB 3.26Å; V1155-A1159 WeakPolarHBondContact O-CB 3.26Å; V1155-A1159 PolarHBondContact O-N 3.05Å; A1159-Q1162 PolarHBondContact O-N 3.27Å; A1159-A1163 WeakPolarHBondContact O-CB 3.44Å; A1159-A1163 PolarHBondContact O-N 2.87Å
1160G61.8Low58.2Low35 Ų3596.3 Ų96.336%0.36156%0.558SS.*Hα-helixtrans-63.4-43.2173.400000112.8K1156 V1157 A1163 V1164K1156-G1160 PolarHBondContact O-N 2.9Å; V1157-G1160 CarbonylContact O-C 3.54Å; V1157-G1160 PolarHBondContact O-N 3.08Å; G1160-A1163 WeakPolarHBondContact O-CB 3.34Å; G1160-A1163 PolarHBondContact O-N 3.25Å; G1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; G1160-V1164 PolarHBondContact O-N 3.01Å
1161I59.4Low56.1Low93 Ų9396.6 Ų96.648%0.47757%0.568SS.*Hα-helixtrans-66-43.4175.7-70.4167.6000110.1V1157 S1158 A1163 V1164 Q1165V1157-I1161 HydrophobicContact CG1-CD1 3.76Å; V1157-I1161 HydrophobicContact CG1-CG1 4.39Å; V1157-I1161 WeakPolarHBondContact O-CB 3.22Å; V1157-I1161 VanDerWaalsContact O-CG1 3.27Å; V1157-I1161 WeakPolarHBondContact O-CG1 3.5Å; V1157-I1161 PolarHBondContact O-N 3.34Å; S1158-I1161 PolarHBondContact O-N 2.98Å; I1161-A1163 VanDerWaalsContact C-N 3.3Å; I1161-A1163 PolarHBondContact O-N 3.24Å; I1161-V1164 PolarHBondContact O-N 3.31Å; I1161-Q1165 WeakPolarHBondContact O-CB 3.37Å; I1161-Q1165 PolarHBondContact O-N 2.71Å
1162Q52.6Low54Low133 Ų13397 Ų9762%0.62158%0.579SS**Hα-helixtrans-65.8-29.6174.1-75.7-168.6-0.600113.6S1158 A1159 K1166S1158-Q1162 WeakPolarHBondContact O-CB 3.38Å; S1158-Q1162 WeakPolarHBondContact O-CG 3.1Å; S1158-Q1162 PolarHBondContact O-N 3.26Å; A1159-Q1162 PolarHBondContact O-N 3.27Å; Q1162-K1166 PolarHBondContact O-N 3.41Å
1163A54Low52Low64 Ų64101.2 Ų101.253%0.52960%0.597SS.*Hα-helixtrans-68.3-45.1171.100000111.4A1159 G1160 I1161 K1166 S1167A1159-A1163 WeakPolarHBondContact O-CB 3.44Å; A1159-A1163 PolarHBondContact O-N 2.87Å; G1160-A1163 WeakPolarHBondContact O-CB 3.34Å; G1160-A1163 PolarHBondContact O-N 3.25Å; I1161-A1163 VanDerWaalsContact C-N 3.3Å; I1161-A1163 PolarHBondContact O-N 3.24Å; A1163-K1166 PolarHBondContact O-N 2.89Å; A1163-S1167 PolarHBondContact O-N 2.73Å
1164V52.5Low50Low90 Ų90103.7 Ų103.755%0.54561%0.613SS.*Hα-helixtrans-64.6-42.7175.4170.90000111.6G1160 I1161 K1166 S1167G1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; G1160-V1164 PolarHBondContact O-N 3.01Å; I1161-V1164 PolarHBondContact O-N 3.31Å; V1164-K1166 PolarHBondContact O-N 3.31Å; V1164-K1166 VanDerWaalsContact O-N 3.16Å; V1164-S1167 WeakPolarHBondContact CA-OG 3.29Å; V1164-S1167 PolarHBondContact O-N 2.84Å; V1164-S1167 PolarHBondContact O-OG 2.75Å
1165Q48.2Very low48.1Very low145 Ų145108 Ų10868%0.67863%0.627SS**Hα-helixtrans-62.5-23.9178.1-148.298.27.300112.4I1161I1161-Q1165 WeakPolarHBondContact O-CB 3.37Å; I1161-Q1165 PolarHBondContact O-N 2.71Å
1166K46.9Very low46.4Very low180 Ų180108.6 Ų108.678%0.78363%0.627SS**THydrogen-bonded Turntrans-92.3-5.4174.8-75.5-179175176.90114.1Q1162 A1163 V1164Q1162-K1166 PolarHBondContact O-N 3.41Å; A1163-K1166 PolarHBondContact O-N 2.89Å; V1164-K1166 PolarHBondContact O-N 3.31Å; V1164-K1166 VanDerWaalsContact O-N 3.16Å
1167S43.8Very low44.7Very low87 Ų87107.9 Ų107.961%0.60864%0.635SS**SBendtrans-103.74.7-178.969.90000115.1A1163 V1164A1163-S1167 PolarHBondContact O-N 2.73Å; V1164-S1167 WeakPolarHBondContact CA-OG 3.29Å; V1164-S1167 PolarHBondContact O-N 2.84Å; V1164-S1167 PolarHBondContact O-OG 2.75Å
1168V44Very low43.2Very low106 Ų106110.2 Ų110.264%0.64264%0.64SS**SBendtrans-97-11-176174.70000113.5
1169N34.9Very low42.2Very low155 Ų155114.8 Ų114.883%0.82965%0.652SS**SBendtrans-104.454.6-177.1-75.2-13.2000114.1
1170A33.3Very low41Very low93 Ų93117.6 Ų117.677%0.76966%0.663SS**  trans-154.7134.6161.600000110
1171S30.1Very low39.7Very low109 Ų109121.3 Ų121.376%0.76268%0.679SS**  trans-112.9159.1-167.8-520000114.2
1172T31Very low38.5Very low121 Ų121122 Ų12274%0.74269%0.687SS**  trans71.3127.9154.947.40000121.5
1173N31Very low37.6Very low137 Ų137122.3 Ų122.373%0.73369%0.689SS**  trans91.2108.8137-652.9000123.2
1174T32.1Very low36.6Very low115 Ų115127.8 Ų127.871%0.70670%0.697SS**  70.7111127.7590000123.5
1175E30.2Very low35.6Very low162 Ų162131 Ų13176%0.75771%0.711SS**  93.2127.3122.6-77.6-167-165.200124.9
1176N33.5Very low35.7Very low116 Ų116129.3 Ų129.362%0.6271%0.712SS**  trans83.8111.2138.1-64.4-22.4000124.2
1177T34.9Very low34.9Very low120 Ų120130 Ų13074%0.73672%0.715SS**  trans66.7148.3130.463.30000121.4
1178E34.3Very low34.4Very low134 Ų134132.9 Ų132.963%0.62672%0.723SS**  cis-168.8149.4-20-112.4-161.3159.600110.7
1179K38.1Very low33.5Very low157 Ų157135.2 Ų135.268%0.68373%0.726SS**  trans63.8165.4143.3-70.3-177.8-175142.20119.4
1180T34.3Very low33.3Very low118 Ų118135.3 Ų135.372%0.72473%0.726SS**  cis-175.3169.7-10.836.30000107.7
1181V35.2Very low33.1Very low112 Ų112136.1 Ų136.168%0.67973%0.726SS**  cis-167.9139.10.1120.40000111.8
1182T33.8Very low33.2Very low108 Ų108136.2 Ų136.266%0.66373%0.727SS**  trans54.8173146.277.30000123.2
1183E33.7Very low33.3Very low139 Ų139138.3 Ų138.365%0.6573%0.734SS**  cis-159.4172.14-137.7154.2-152.700117.3
1184Y33.1Very low33.4Very low180 Ų180142.8 Ų142.871%0.70674%0.74SS**  trans54.3103.7154-71.1-53.2000125.7
1185L31.5Very low33.4Very low158 Ų158142.2 Ų142.283%0.82774%0.741SS**  46.9159.2110.2-71.6173.3000123.6
1186P50.5Low33.5Very low109 Ų109142.5 Ų142.571%0.70874%0.74SS**  trans-132.6-178.3-139.946.2-32.2000117
1187K29.2Very low33.1Very low194 Ų194143.3 Ų143.384%0.84374%0.74SS**  trans-170.8159.6151.9-117.2163.5-170.8172.40115
1188L32.7Very low32.7Very low147 Ų147148.1 Ų148.177%0.7775%0.746SS**  trans67.3154.3160.8-63.8163.6000117.2
1189Q25.6Very low32.4Very low155 Ų155146.2 Ų146.272%0.72475%0.748SS**  cis-166.5168.1-33.1-151.4175.625.600107.8
1190L31.5Very low31.8Very low158 Ų158144.8 Ų144.883%0.82774%0.743SS**  trans69.4152.6173.9-54.2168.3000114
1191S29Very low31.8Very low109 Ų109148.1 Ų148.176%0.76274%0.742SS**  cis-161.3171.2-12.343.90000110.9
1192S31.3Very low31.6Very low112 Ų112149 Ų14978%0.78374%0.743SS**  trans68.685.7162.7-161.60000118
1193N34.3Very low31.5Very low165 Ų165151.7 Ų151.788%0.88275%0.746SS**  trans-121139.9151.1-157.9-11.6000107
1194R33.1Very low31.4Very low230 Ų230152.5 Ų152.587%0.86875%0.752SS**  trans97.2152-153.9-70.5179.5170.5-170.9-1.9113.7
1195S30.8Very low31.2Very low103 Ų103150 Ų15072%0.7274%0.741SS**  cis-174.4169.6-24.5-165.70000110
1196K32.3Very low31.2Very low168 Ų168149 Ų14973%0.7374%0.736SS**  trans73.5120.3157.8-74.4178.9166.2-1630121.4
1197Q26.1Very low30.1Very low133 Ų133148.7 Ų148.762%0.62174%0.743SS**  69.2140.3127.9-61.1176.1-95.700120.5
1198Y25.7Very low30.2Very low222 Ų222145.2 Ų145.287%0.87174%0.743SS**  trans62.1160.6178.7-60.6-79.8000112.4
1199S29Very low30.4Very low94 Ų94143.7 Ų143.766%0.65774%0.742SS**  cis-150.3142.4-3.71570000109.2
1200E25.5Very low30.6Very low126 Ų126145.8 Ų145.859%0.58975%0.745SS**  trans6.6143.3139.7-72.5-173153.100122.7
1201R32.9Very low30.5Very low188 Ų188145.8 Ų145.871%0.70974%0.741SS**  trans66.4147.1138.3-67.9171.8-174.9133.310.8120.7
1202N31Very low30.4Very low130 Ų130145.2 Ų145.270%0.69574%0.737SS**  trans68.6151.9162.3-63.7-39.8000116.1
1203K33.7Very low30.4Very low165 Ų165145.7 Ų145.772%0.71773%0.734SS**  cis-160.7145.9-10.2-118.1166.9-170.5175.50109.1
1204M30.5Very low30.1Very low157 Ų157146.7 Ų146.777%0.77373%0.731SS**  trans57.9144.2166.2-51.6-43.2-163.100117.2
1205R29.4Very low29.9Very low126 Ų126142.6 Ų142.648%0.47573%0.726SS.*SBendcis46.4109.9-0.6-77.5-162.1-171.1-161.66.4118.3
1206N30.6Very low29.8Very low138 Ų138143.7 Ų143.774%0.73873%0.728SS**  trans83150.5165-56.717.1000116.9
1207A28.4Very low29.6Very low103 Ų103141 Ų14185%0.85173%0.73SS**  trans66.5141.5-170.300000114.7
1208S31Very low29.8Very low120 Ų120142.5 Ų142.584%0.83974%0.737SS**  cis-130.2162.121.3-138.80000114
1209P36.8Very low29.9Very low116 Ų116138 Ų13875%0.75373%0.728SS**  trans-110.3-178.5-170.642.6-34.4000114.5
1210Y29.1Very low30Very low199 Ų199140.5 Ų140.578%0.7873%0.733SS**  trans-92.1140.8156.7-120.6-97.2000110.6
1211E29.6Very low30.3Very low157 Ų157141.4 Ų141.473%0.73474%0.742SS**  trans13.8165.3152.4-61.2174.9166.200123.7
1212S27.8Very low30.3Very low97 Ų97137.2 Ų137.268%0.67874%0.742SS**  -173.1170.6-53.757.80000111.1
1213V31.5Very low30.3Very low122 Ų122136.2 Ų136.274%0.73975%0.745SS**  trans72.287.4161.9-167.80000120.4
1214K27.5Very low30.4Very low187 Ų187137.6 Ų137.681%0.81375%0.754SS**  57.5136.1117.2-75.7-178.1177.3178.90124.9
1215L28.4Very low30.6Very low144 Ų144137.6 Ų137.675%0.75476%0.757SS**  trans94.591137.6-73.6163.4000122.6
1216T29.4Very low31Very low125 Ų125137.1 Ų137.177%0.76777%0.773SS**  52.8115.6125.455.80000123.3
1217S27.2Very low31.5Very low112 Ų112135.6 Ų135.678%0.78377%0.771SS**  -169.9138.1126.1600000114.4
1218H30.4Very low32.1Very low164 Ų164138.5 Ų138.576%0.75977%0.772SS**  trans13.5128.8158.3-70.7-73.3000124.1
1219D27.4Very low33.2Very low127 Ų127135.8 Ų135.868%0.67975%0.753SS**  34.6128.4122.6-44.4-41.4000121.8
1220L30.9Very low34.1Very low148 Ų148136 Ų13678%0.77575%0.747SS**  173.6147.9100.8-92173.9000113.5
1221N32.9Very low35.6Very low144 Ų144133 Ų13377%0.7774%0.74SS**  trans64.5148.7159.2-59.9-20.3000118.9
1222S32.9Very low37Very low101 Ų101129.2 Ų129.271%0.70673%0.73SS**  cis-164.5145.3-18.347.10000110.7
1223S30.9Very low38.8Very low108 Ų108132.9 Ų132.976%0.75573%0.729SS**  trans5.8130.9161.459.40000120.9
1224E36Very low40.8Very low194 Ų194129.8 Ų129.891%0.90771%0.711SS**  -150.1174.4124.4-131.1169.6-147.800112.2
1225N34Very low43Very low157 Ų157125 Ų12584%0.8469%0.691SS**  trans-103.1176.9-165.3-66.8-74000113.7
1226S37.2Very low45.2Very low116 Ų116120.7 Ų120.781%0.81168%0.676SS**  trans112.3139.1158.1-151.50000114.5
1227P41.6Very low47.3Very low107 Ų107120 Ų12070%0.69567%0.667SS**  trans-106.4125.2-160.536.9-27.9000114.1
1228D40.6Very low49.8Very low164 Ų164119.7 Ų119.788%0.87765%0.652SS**  trans-166.894.4138.2-112.7-29.3000109.5
1229S55.3Low52Low63 Ų63117.6 Ų117.644%0.44164%0.642SS.*  trans-136146.7175.8-177.80000111.5E1231 S1232 R1233S1229-E1231 PolarHBondContact O-N 3.32Å; S1229-S1232 WeakPolarHBondContact O-CB 3.42Å; S1229-S1232 PolarHBondContact O-N 2.83Å; S1229-R1233 PolarHBondContact O-N 2.64Å
1230I56.2Low54.4Low120 Ų120113.6 Ų113.662%0.61563%0.627SS**Hα-helixtrans-64.1-30.3-179.8-64.6174.1000110.6S1232 R1233 V1234I1230-S1232 VanDerWaalsContact C-N 3.29Å; I1230-S1232 PolarHBondContact O-N 3.5Å; I1230-R1233 CarbonylContact O-C 3.58Å; I1230-R1233 PolarHBondContact O-N 2.77Å; I1230-V1234 HydrophobicContact CG2-CG2 4.07Å; I1230-V1234 WeakPolarHBondContact O-CB 3.37Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.22Å; I1230-V1234 PolarHBondContact O-N 3.25Å
1231E59.6Low56.6Low136 Ų136110.5 Ų110.564%0.63661%0.611SS**Hα-helixtrans-51.7-44.8168.7-111.161.3-136.800112.4S1229 R1233 V1234 E1235S1229-E1231 PolarHBondContact O-N 3.32Å; E1231-R1233 VanDerWaalsContact C-N 3.33Å; E1231-R1233 PolarHBondContact O-N 3.36Å; E1231-V1234 PolarHBondContact O-N 3.38Å; E1231-E1235 WeakPolarHBondContact O-CB 3.47Å; E1231-E1235 PolarHBondContact O-N 3.44Å
1232S60Low58.9Low77 Ų77109.4 Ų109.454%0.53860%0.602SS.*Hα-helixtrans-69.2-31.4178.7-57.70000112.3S1229 I1230 A1236S1229-S1232 WeakPolarHBondContact O-CB 3.42Å; S1229-S1232 PolarHBondContact O-N 2.83Å; I1230-S1232 VanDerWaalsContact C-N 3.29Å; I1230-S1232 PolarHBondContact O-N 3.5Å; S1232-A1236 WeakPolarHBondContact O-CB 3.47Å; S1232-A1236 PolarHBondContact O-N 3.06Å
1233R64Low61.2Low174 Ų174112.1 Ų112.166%0.65760%0.597SS**Hα-helixtrans-73.6-34.7172.3-72.7174.859.4-176.9-3.3112.2S1229 I1230 E1231 L1237S1229-R1233 PolarHBondContact O-N 2.64Å; I1230-R1233 CarbonylContact O-C 3.58Å; I1230-R1233 PolarHBondContact O-N 2.77Å; E1231-R1233 VanDerWaalsContact C-N 3.33Å; E1231-R1233 PolarHBondContact O-N 3.36Å; R1233-L1237 VanDerWaalsContact O-CB 3.28Å; R1233-L1237 WeakPolarHBondContact O-CB 3.19Å; R1233-L1237 VanDerWaalsContact O-CG 3.22Å; R1233-L1237 WeakPolarHBondContact O-CG 3.22Å; R1233-L1237 PolarHBondContact O-N 2.77Å
1234V75Confident63.5Low57 Ų57111.6 Ų111.635%0.34559%0.586SS.*Hα-helixtrans-71.3-40.6174.6167.90000110.7I1230 E1231 L1237 K1238I1230-V1234 HydrophobicContact CG2-CG2 4.07Å; I1230-V1234 WeakPolarHBondContact O-CB 3.37Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.22Å; I1230-V1234 PolarHBondContact O-N 3.25Å; E1231-V1234 PolarHBondContact O-N 3.38Å; V1234-L1237 CarbonylContact O-C 3.46Å; V1234-L1237 PolarHBondContact O-N 3.28Å; V1234-K1238 HydrophobicContact CG1-CD 4.36Å; V1234-K1238 WeakPolarHBondContact O-CG 3.3Å; V1234-K1238 PolarHBondContact O-N 2.68Å
1235E73.5Confident65.6Low86 Ų86110.8 Ų110.840%0.40257%0.574SS.*Hα-helixtrans-72.7-34.8175.7-14462.1-137.100111.6E1231 L1237 K1238 Q1239E1231-E1235 WeakPolarHBondContact O-CB 3.47Å; E1231-E1235 PolarHBondContact O-N 3.44Å; E1235-L1237 VanDerWaalsContact C-N 3.34Å; E1235-K1238 VanDerWaalsContact CD-CD 3.47Å; E1235-K1238 PolarHBondContact O-N 3.15Å; E1235-K1238 WeakPolarHBondContact OE1-CD 3.37Å; E1235-K1238 IonicContact OE1-NZ 2.85Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.1Å; E1235-K1238 IonicContact OE2-NZ 3.17Å; E1235-K1238 PolarHBondContact OE2-NZ 3.31Å; E1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; E1235-Q1239 WeakPolarHBondContact O-CG 3.38Å; E1235-Q1239 PolarHBondContact O-N 2.72Å
1236A74Confident67.8Low54 Ų54106.3 Ų106.345%0.44655%0.549SS..Hα-helixtrans-64.7-35.2167.200000112.3S1232 A1240S1232-A1236 WeakPolarHBondContact O-CB 3.47Å; S1232-A1236 PolarHBondContact O-N 3.06Å; A1236-A1240 WeakPolarHBondContact O-CB 3.18Å; A1236-A1240 PolarHBondContact O-N 3.3Å
1237L74.6Confident69.7Low110 Ų110106.7 Ų106.758%0.57654%0.538SS*.Hα-helixtrans-74.9-29.2174-79.3168.4000113.2R1233 V1234 E1235 N1241R1233-L1237 VanDerWaalsContact O-CB 3.28Å; R1233-L1237 WeakPolarHBondContact O-CB 3.19Å; R1233-L1237 VanDerWaalsContact O-CG 3.22Å; R1233-L1237 WeakPolarHBondContact O-CG 3.22Å; R1233-L1237 PolarHBondContact O-N 2.77Å; V1234-L1237 CarbonylContact O-C 3.46Å; V1234-L1237 PolarHBondContact O-N 3.28Å; E1235-L1237 VanDerWaalsContact C-N 3.34Å; L1237-N1241 VanDerWaalsContact O-CB 3.28Å; L1237-N1241 WeakPolarHBondContact O-CB 3.29Å; L1237-N1241 PolarHBondContact O-N 3.29Å; L1237-N1241 PolarHBondContact O-ND2 3.47Å
1238K78Confident71.4Confident107 Ų107106 Ų10647%0.46553%0.531SS..Hα-helixtrans-71.5-43168.9-73.7166.7-174.6168.70111V1234 E1235 N1241 H1242V1234-K1238 HydrophobicContact CG1-CD 4.36Å; V1234-K1238 WeakPolarHBondContact O-CG 3.3Å; V1234-K1238 PolarHBondContact O-N 2.68Å; E1235-K1238 VanDerWaalsContact CD-CD 3.47Å; E1235-K1238 PolarHBondContact O-N 3.15Å; E1235-K1238 WeakPolarHBondContact OE1-CD 3.37Å; E1235-K1238 IonicContact OE1-NZ 2.85Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.1Å; E1235-K1238 IonicContact OE2-NZ 3.17Å; E1235-K1238 PolarHBondContact OE2-NZ 3.31Å; K1238-N1241 CarbonylContact O-C 3.51Å; K1238-N1241 PolarHBondContact O-N 2.99Å; K1238-H1242 VanDerWaalsContact O-CB 3.28Å; K1238-H1242 WeakPolarHBondContact O-CB 3.18Å; K1238-H1242 PolarHBondContact O-N 2.97Å
1239Q76.7Confident73.2Confident119 Ų119102.7 Ų102.756%0.55651%0.511SS*.Hα-helixtrans-64.7-41.8172.9-76.1-176.3-3.300110.8E1235 N1241 H1242 Y1243E1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; E1235-Q1239 WeakPolarHBondContact O-CG 3.38Å; E1235-Q1239 PolarHBondContact O-N 2.72Å; Q1239-N1241 PolarHBondContact O-N 3.47Å; Q1239-H1242 CarbonylContact O-C 3.53Å; Q1239-H1242 PolarHBondContact O-N 2.68Å; Q1239-H1242 VanDerWaalsContact O-N 3.1Å; Q1239-Y1243 WeakPolarHBondContact O-CB 3.42Å; Q1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; Q1239-Y1243 WeakPolarHBondContact O-CD2 3.27Å; Q1239-Y1243 PolarHBondContact O-N 3.19Å
1240A78.5Confident74.1Confident43 Ų43103.3 Ų103.336%0.35551%0.509SS..Hα-helixtrans-64.2-38.1172.100000112A1236 H1242 L1244A1236-A1240 WeakPolarHBondContact O-CB 3.18Å; A1236-A1240 PolarHBondContact O-N 3.3Å; A1240-H1242 VanDerWaalsContact C-N 3.32Å; A1240-L1244 VanDerWaalsContact O-CB 3.25Å; A1240-L1244 WeakPolarHBondContact O-CB 3.08Å; A1240-L1244 VanDerWaalsContact O-CG 3.26Å; A1240-L1244 WeakPolarHBondContact O-CG 3.12Å; A1240-L1244 PolarHBondContact O-N 2.99Å
1241N77.7Confident74.7Confident83 Ų8399.8 Ų99.844%0.44450%0.498SS..Hα-helixtrans-67.4-31.3170.2-94.9-95.2000112.7L1237 K1238 Q1239 R1245L1237-N1241 VanDerWaalsContact O-CB 3.28Å; L1237-N1241 WeakPolarHBondContact O-CB 3.29Å; L1237-N1241 PolarHBondContact O-N 3.29Å; L1237-N1241 PolarHBondContact O-ND2 3.47Å; K1238-N1241 CarbonylContact O-C 3.51Å; K1238-N1241 PolarHBondContact O-N 2.99Å; Q1239-N1241 PolarHBondContact O-N 3.47Å; N1241-R1245 WeakPolarHBondContact O-CB 3.25Å; N1241-R1245 WeakPolarHBondContact O-CD 3.29Å; N1241-R1245 WeakPolarHBondContact O-CG 3Å; N1241-R1245 PolarHBondContact O-N 3.39Å
1242H81.4Confident75Confident122 Ų12296.5 Ų96.557%0.56549%0.489SS*.Hα-helixtrans-77.6-36.8177.9-169.965.2000111.1K1238 Q1239 A1240 R1245 M1246K1238-H1242 VanDerWaalsContact O-CB 3.28Å; K1238-H1242 WeakPolarHBondContact O-CB 3.18Å; K1238-H1242 PolarHBondContact O-N 2.97Å; Q1239-H1242 CarbonylContact O-C 3.53Å; Q1239-H1242 PolarHBondContact O-N 2.68Å; Q1239-H1242 VanDerWaalsContact O-N 3.1Å; A1240-H1242 VanDerWaalsContact C-N 3.32Å; H1242-R1245 CarbonylContact O-C 3.57Å; H1242-R1245 PolarHBondContact O-N 3.41Å; H1242-M1246 VanDerWaalsContact O-CB 3.23Å; H1242-M1246 WeakPolarHBondContact O-CB 3.26Å; H1242-M1246 VanDerWaalsContact O-CG 3.26Å; H1242-M1246 WeakPolarHBondContact O-CG 3.31Å; H1242-M1246 PolarHBondContact O-N 2.75Å
1243Y79.6Confident75.2Confident157 Ų15797.6 Ų97.662%0.61648%0.484SS*.Hα-helixtrans-66.9-45.6168.9-87.3-70.4000111.2Q1239 R1245 M1246 E1247Q1239-Y1243 WeakPolarHBondContact O-CB 3.42Å; Q1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; Q1239-Y1243 WeakPolarHBondContact O-CD2 3.27Å; Q1239-Y1243 PolarHBondContact O-N 3.19Å; Y1243-R1245 VanDerWaalsContact C-N 3.32Å; Y1243-R1245 PolarHBondContact O-N 3.26Å; Y1243-M1246 CarbonylContact O-C 3.51Å; Y1243-M1246 WeakPolarHBondContact O-CA 2.98Å; Y1243-M1246 WeakPolarHBondContact O-CB 3.32Å; Y1243-M1246 PolarHBondContact O-N 2.76Å; Y1243-M1246 VanDerWaalsContact O-N 3.11Å; Y1243-E1247 WeakPolarHBondContact O-CB 3.43Å; Y1243-E1247 WeakPolarHBondContact O-CG 3.42Å; Y1243-E1247 PolarHBondContact O-N 3.44Å
1244L79.8Confident75.1Confident98 Ų9895.7 Ų95.751%0.51348%0.484SS..Hα-helixtrans-63.9-35.5172.8-75.6168.7000112.2A1240 E1247 V1248A1240-L1244 VanDerWaalsContact O-CB 3.25Å; A1240-L1244 WeakPolarHBondContact O-CB 3.08Å; A1240-L1244 VanDerWaalsContact O-CG 3.26Å; A1240-L1244 WeakPolarHBondContact O-CG 3.12Å; A1240-L1244 PolarHBondContact O-N 2.99Å; L1244-E1247 PolarHBondContact O-N 3.15Å; L1244-V1248 VanDerWaalsContact O-CB 3.29Å; L1244-V1248 WeakPolarHBondContact O-CB 3.42Å; L1244-V1248 VanDerWaalsContact O-CG2 3.24Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.28Å; L1244-V1248 PolarHBondContact O-N 2.78Å
1245R80.1Confident74.1Confident176 Ų17698 Ų9866%0.66449%0.494SS*.Hα-helixtrans-68.9-37.6170.7-77166.6-173.5-117.11111.7N1241 H1242 Y1243 E1249N1241-R1245 WeakPolarHBondContact O-CB 3.25Å; N1241-R1245 WeakPolarHBondContact O-CD 3.29Å; N1241-R1245 WeakPolarHBondContact O-CG 3Å; N1241-R1245 PolarHBondContact O-N 3.39Å; H1242-R1245 CarbonylContact O-C 3.57Å; H1242-R1245 PolarHBondContact O-N 3.41Å; Y1243-R1245 VanDerWaalsContact C-N 3.32Å; Y1243-R1245 PolarHBondContact O-N 3.26Å; R1245-E1249 WeakPolarHBondContact O-CA 3.48Å; R1245-E1249 WeakPolarHBondContact O-CB 3.46Å; R1245-E1249 PolarHBondContact O-N 3.46Å
1246M80.6Confident72.8Confident63 Ų6399.2 Ų99.231%0.3150%0.503SS..Hα-helixtrans-70-31.2173.4-82.4-110.360.900112.3H1242 Y1243 N1250H1242-M1246 VanDerWaalsContact O-CB 3.23Å; H1242-M1246 WeakPolarHBondContact O-CB 3.26Å; H1242-M1246 VanDerWaalsContact O-CG 3.26Å; H1242-M1246 WeakPolarHBondContact O-CG 3.31Å; H1242-M1246 PolarHBondContact O-N 2.75Å; Y1243-M1246 CarbonylContact O-C 3.51Å; Y1243-M1246 WeakPolarHBondContact O-CA 2.98Å; Y1243-M1246 WeakPolarHBondContact O-CB 3.32Å; Y1243-M1246 PolarHBondContact O-N 2.76Å; Y1243-M1246 VanDerWaalsContact O-N 3.11Å; M1246-N1250 WeakPolarHBondContact O-CA 3.3Å; M1246-N1250 WeakPolarHBondContact O-CB 3.06Å; M1246-N1250 PolarHBondContact O-N 2.68Å; M1246-N1250 PolarHBondContact O-ND2 2.88Å; M1246-N1250 VanDerWaalsContact O-ND2 3.14Å
1247E77.8Confident71.2Confident124 Ų12499.9 Ų99.958%0.57951%0.505SS*.Hα-helixtrans-78.4-38.9175.2-77.1-174.9141.600111.1Y1243 L1244 N1250 A1251Y1243-E1247 WeakPolarHBondContact O-CB 3.43Å; Y1243-E1247 WeakPolarHBondContact O-CG 3.42Å; Y1243-E1247 PolarHBondContact O-N 3.44Å; L1244-E1247 PolarHBondContact O-N 3.15Å; E1247-N1250 CarbonylContact O-C 3.52Å; E1247-A1251 WeakPolarHBondContact O-CA 3.33Å; E1247-A1251 WeakPolarHBondContact O-CB 3.45Å; E1247-A1251 PolarHBondContact O-N 3.48Å
1248V77Confident69.6Low92 Ų9298.6 Ų98.656%0.55851%0.505SS*.Hα-helixtrans-69.1-39.8170.5170.60000110.7L1244 A1251 C1252L1244-V1248 VanDerWaalsContact O-CB 3.29Å; L1244-V1248 WeakPolarHBondContact O-CB 3.42Å; L1244-V1248 VanDerWaalsContact O-CG2 3.24Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.28Å; L1244-V1248 PolarHBondContact O-N 2.78Å; V1248-A1251 PolarHBondContact O-N 3.13Å; V1248-C1252 VanDerWaalsContact O-CB 3.29Å; V1248-C1252 WeakPolarHBondContact O-CB 3.14Å; V1248-C1252 PolarHBondContact O-N 2.63Å; V1248-C1252 PolarHBondContact O-SG 2.79Å
1249E78.2Confident67.7Low96 Ų9698.8 Ų98.845%0.44952%0.515SS..Hα-helixtrans-71.1-35.3175.3-168.5-177.3160.200111.3R1245 K1253R1245-E1249 WeakPolarHBondContact O-CA 3.48Å; R1245-E1249 WeakPolarHBondContact O-CB 3.46Å; R1245-E1249 PolarHBondContact O-N 3.46Å; E1249-K1253 HydrophobicContact CG-CD 4.25Å; E1249-K1253 WeakPolarHBondContact O-CB 3.49Å; E1249-K1253 WeakPolarHBondContact O-CD 3.46Å; E1249-K1253 WeakPolarHBondContact O-CG 2.99Å; E1249-K1253 PolarHBondContact O-N 2.72Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.27Å; E1249-K1253 IonicContact OE1-NZ 2.66Å; E1249-K1253 PolarHBondContact OE1-NZ 3.2Å
1250N72.8Confident65.6Low76 Ų76100 Ų10041%0.40652%0.524SS..Hα-helixtrans-73.8-29.2171-73.1-20.8000112.1M1246 E1247 M1254M1246-N1250 WeakPolarHBondContact O-CA 3.3Å; M1246-N1250 WeakPolarHBondContact O-CB 3.06Å; M1246-N1250 PolarHBondContact O-N 2.68Å; M1246-N1250 PolarHBondContact O-ND2 2.88Å; M1246-N1250 VanDerWaalsContact O-ND2 3.14Å; E1247-N1250 CarbonylContact O-C 3.52Å; N1250-M1254 WeakPolarHBondContact O-CB 3.39Å; N1250-M1254 WeakPolarHBondContact O-CG 3.19Å; N1250-M1254 PolarHBondContact O-N 2.89Å
1251A70Confident63.4Low46 Ų46103.7 Ų103.738%0.3854%0.538SS..Hα-helixtrans-72.7-42.9172.200000110.8E1247 V1248 K1253 M1254 I1255E1247-A1251 WeakPolarHBondContact O-CA 3.33Å; E1247-A1251 WeakPolarHBondContact O-CB 3.45Å; E1247-A1251 PolarHBondContact O-N 3.48Å; V1248-A1251 PolarHBondContact O-N 3.13Å; A1251-K1253 VanDerWaalsContact C-N 3.34Å; A1251-M1254 PolarHBondContact O-N 3.43Å; A1251-I1255 WeakPolarHBondContact O-CB 3.28Å; A1251-I1255 VanDerWaalsContact O-CG1 3.23Å; A1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; A1251-I1255 PolarHBondContact O-N 3.25Å
1252C65.8Low61.2Low67 Ų67108.9 Ų108.945%0.45356%0.557SS.*Hα-helixtrans-65.3-35.8171.1-70.90000111.8V1248 N1256V1248-C1252 VanDerWaalsContact O-CB 3.29Å; V1248-C1252 WeakPolarHBondContact O-CB 3.14Å; V1248-C1252 PolarHBondContact O-N 2.63Å; V1248-C1252 PolarHBondContact O-SG 2.79Å; C1252-N1256 VanDerWaalsContact O-CB 3.25Å; C1252-N1256 WeakPolarHBondContact O-CB 3.31Å; C1252-N1256 VanDerWaalsContact O-CG 3.29Å; C1252-N1256 PolarHBondContact O-N 2.74Å
1253K64Low58.8Low100 Ų100110.9 Ų110.944%0.43557%0.571SS.*Hα-helixtrans-69.9-37.8170.2-75.3166.6-174.5166.80112.1E1249 A1251 N1256 S1257E1249-K1253 HydrophobicContact CG-CD 4.25Å; E1249-K1253 WeakPolarHBondContact O-CB 3.49Å; E1249-K1253 WeakPolarHBondContact O-CD 3.46Å; E1249-K1253 WeakPolarHBondContact O-CG 2.99Å; E1249-K1253 PolarHBondContact O-N 2.72Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.27Å; E1249-K1253 IonicContact OE1-NZ 2.66Å; E1249-K1253 PolarHBondContact OE1-NZ 3.2Å; A1251-K1253 VanDerWaalsContact C-N 3.34Å; K1253-N1256 CarbonylContact O-C 3.58Å; K1253-N1256 PolarHBondContact O-N 3.32Å; K1253-S1257 WeakPolarHBondContact O-CA 3.45Å; K1253-S1257 WeakPolarHBondContact O-CB 3.2Å; K1253-S1257 PolarHBondContact O-N 2.82Å; K1253-S1257 PolarHBondContact O-OG 3.36Å
1254M62Low56.4Low133 Ų133111.8 Ų111.866%0.65558%0.578SS**Hα-helixtrans-66.5-37.4173.9-78.8-88.5-176.800111.8N1250 A1251 S1257 S1258N1250-M1254 WeakPolarHBondContact O-CB 3.39Å; N1250-M1254 WeakPolarHBondContact O-CG 3.19Å; N1250-M1254 PolarHBondContact O-N 2.89Å; A1251-M1254 PolarHBondContact O-N 3.43Å; M1254-S1257 WeakPolarHBondContact CA-OG 3.18Å; M1254-S1257 CarbonylContact O-C 3.39Å; M1254-S1257 PolarHBondContact O-N 3.49Å; M1254-S1257 PolarHBondContact O-OG 3.36Å; M1254-S1258 WeakPolarHBondContact O-CB 3.18Å; M1254-S1258 PolarHBondContact O-OG 3.41Å; M1254-S1258 PolarHBondContact O-N 3.02Å
1255I54.8Low54.2Low105 Ų105114.4 Ų114.454%0.53859%0.592SS.*Hα-helixtrans-68.8-48.4173.9-71.5165.2000109.1A1251 S1257 S1258 V1259A1251-I1255 WeakPolarHBondContact O-CB 3.28Å; A1251-I1255 VanDerWaalsContact O-CG1 3.23Å; A1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; A1251-I1255 PolarHBondContact O-N 3.25Å; I1255-S1257 PolarHBondContact O-N 2.76Å; I1255-S1258 PolarHBondContact O-N 2.7Å; I1255-S1258 PolarHBondContact O-OG 2.81Å; I1255-V1259 WeakPolarHBondContact O-CG2 3.41Å; I1255-V1259 PolarHBondContact O-N 2.78Å
1256N46.5Very low51.8Low112 Ų112115 Ų11560%0.59960%0.602SS**Hα-helixtrans-69.6-16.6175.5-70.9-15.3000113.9C1252 K1253C1252-N1256 VanDerWaalsContact O-CB 3.25Å; C1252-N1256 WeakPolarHBondContact O-CB 3.31Å; C1252-N1256 VanDerWaalsContact O-CG 3.29Å; C1252-N1256 PolarHBondContact O-N 2.74Å; K1253-N1256 CarbonylContact O-C 3.58Å; K1253-N1256 PolarHBondContact O-N 3.32Å
1257S39.3Very low49.3Very low69 Ų69118.6 Ų118.648%0.48362%0.622SS.*Hα-helixtrans-101.8-5.2174.379.90000114.3K1253 M1254 I1255K1253-S1257 WeakPolarHBondContact O-CA 3.45Å; K1253-S1257 WeakPolarHBondContact O-CB 3.2Å; K1253-S1257 PolarHBondContact O-N 2.82Å; K1253-S1257 PolarHBondContact O-OG 3.36Å; M1254-S1257 WeakPolarHBondContact CA-OG 3.18Å; M1254-S1257 CarbonylContact O-C 3.39Å; M1254-S1257 PolarHBondContact O-N 3.49Å; M1254-S1257 PolarHBondContact O-OG 3.36Å; I1255-S1257 PolarHBondContact O-N 2.76Å
1258S41.2Very low47.1Very low82 Ų82120.9 Ų120.957%0.57363%0.633SS**Hα-helixtrans-100.9-21.6169.554.60000112.5M1254 I1255 L1260M1254-S1258 WeakPolarHBondContact O-CB 3.18Å; M1254-S1258 PolarHBondContact O-OG 3.41Å; M1254-S1258 PolarHBondContact O-N 3.02Å; I1255-S1258 PolarHBondContact O-N 2.7Å; I1255-S1258 PolarHBondContact O-OG 2.81Å; S1258-L1260 VanDerWaalsContact C-N 3.25Å
1259V38.7Very low45.1Very low112 Ų112125.9 Ų125.968%0.67965%0.648SS**G310 helixtrans-68.4-27.6158.9176.30000111I1255 N1261I1255-V1259 WeakPolarHBondContact O-CG2 3.41Å; I1255-V1259 PolarHBondContact O-N 2.78Å; V1259-N1261 VanDerWaalsContact C-N 3.27Å; V1259-N1261 PolarHBondContact O-N 3.44Å; V1259-N1261 VanDerWaalsContact O-N 3.12Å
1260L32.2Very low42.7Very low144 Ų144128.2 Ų128.275%0.75466%0.662SS**G310 helixtrans-8337.2177.2-101169.9000115.1S1258S1258-L1260 VanDerWaalsContact C-N 3.25Å
1261N31Very low40.9Very low121 Ų121129.7 Ų129.765%0.64768%0.679SS**G310 helixtrans-14927.1166.5-138.5-11.3000114.8V1259V1259-N1261 VanDerWaalsContact C-N 3.27Å; V1259-N1261 PolarHBondContact O-N 3.44Å; V1259-N1261 VanDerWaalsContact O-N 3.12Å
1262K32.6Very low38.8Very low192 Ų192134.5 Ų134.584%0.83570%0.695SS**SBendtrans-131.153.2166.9-79.9-167.1175.6-177.20111.9
1263N31.6Very low37.6Very low163 Ų163137 Ų13787%0.87271%0.71SS**  trans-151.489.5154-94.6-10.9000107.1
1264K29.3Very low35.9Very low176 Ų176140.8 Ų140.877%0.76573%0.727SS**  trans-133142.1164.8-87.8-173.1173.7-178.90105.5
1265I32.2Very low34.6Very low154 Ų154141.5 Ų141.579%0.7974%0.739SS**SBendtrans80133.6-149-54.2161.6000109.4
1266E30.6Very low33.5Very low187 Ų187144.8 Ų144.887%0.87475%0.749SS**SBendtrans6253.6178.4-72.4167.9-140.800117.1
1267D28.5Very low32.7Very low139 Ų139149.6 Ų149.674%0.74376%0.76SS**  trans-150.483137.1-148-4.9000110.8
1268E31.7Very low32.7Very low172 Ų172151 Ų15180%0.80477%0.768SS**  trans-136.6144.5166.8-167.3167.8-127.800107
1269F34.6Very low32.3Very low198 Ų198154 Ų15487%0.86878%0.777SS**  trans80.547.7-167.5-66.7-86.5000118.6
1270L28.3Very low31.9Very low145 Ų145154 Ų15476%0.75978%0.777SS**  trans-95.7112.8143.7-86.5171.4000111
1271S34.6Very low32Very low107 Ų107153.5 Ų153.575%0.74878%0.78SS**  152.9109.8127.657.50000117
1272M26.4Very low31.8Very low146 Ų146155.3 Ų155.372%0.71979%0.785SS**  trans63.1169.9137.6-70.4-152.269.300119.7K1274M1272-K1274 HydrophobicContact CE-CD 4.25Å; M1272-K1274 HydrophobicContact CE-CG 4.02Å
1273P38.7Very low31.7Very low119 Ų119154.3 Ų154.377%0.77378%0.781SS**  cis-126.1-173.96.442.9-26.8000117.1
1274K30Very low31.5Very low180 Ų180152.4 Ų152.478%0.78377%0.77SS**  trans-84.5146.7-173.8-56.6162.3-179.8172.10113.3M1272M1272-K1274 HydrophobicContact CE-CD 4.25Å; M1272-K1274 HydrophobicContact CE-CG 4.02Å
1275V33.9Very low31.5Very low149 Ų149151.1 Ų151.190%0.90377%0.77SS**  trans-131.4169.5156.5-175.60000109.3
1276K31.7Very low31.5Very low174 Ų174149.7 Ų149.776%0.75777%0.769SS**  trans-130.9132.8-154.4-85-174175.4-178.40115.2
1277Y29.5Very low31.4Very low212 Ų212147.1 Ų147.183%0.83176%0.761SS**  trans58.9178140.6-76.6-74.4000118.5
1278P40.2Very low31.6Very low99 Ų99147.5 Ų147.564%0.64376%0.758SS**  cis-132.9164.6-8.716.49.6000117.7
1279N32.2Very low31.5Very low145 Ų145146.8 Ų146.878%0.77575%0.752SS**  trans71.6151.3137.7-72.110.5000120.8
1280V31.3Very low31.4Very low112 Ų112144.6 Ų144.668%0.67974%0.744SS**  cis-165158.3-6.1109.70000114.8
1281T32.8Very low31.6Very low133 Ų133145.9 Ų145.982%0.81674%0.744SS**  trans73.8158.2159.642.90000124.9
1282Q27.9Very low31.4Very low160 Ų160147.1 Ų147.175%0.74875%0.746SS**  trans-109.2162.7-167.7-74.9168.7-105.100113.9
1283F29Very low31.5Very low171 Ų171143.2 Ų143.275%0.7574%0.744SS**  trans72.9143.2137.5-87.1-127.8000123.2
1284D29.2Very low31.2Very low122 Ų122145.9 Ų145.965%0.65274%0.744SS**  trans75.9111.6144.7-69.1-2.6000126.5
1285I29.2Very low31.4Very low149 Ų149145.4 Ų145.476%0.76474%0.742SS**  48.4138.8126.7-33.8174.7000121
1286V30.6Very low31.2Very low124 Ų124145 Ų14575%0.75274%0.735SS**  trans125.884.4144.7-1740000116.3
1287N30.3Very low31.1Very low133 Ų133145 Ų14571%0.71174%0.737SS**  63.9151.1113.8-136.2-16.3000123.3
1288H31.2Very low31.6Very low148 Ų148139.9 Ų139.969%0.68573%0.73SS**  trans74.7153.1162.6-68.913.4000119.2
1289K30.5Very low31.2Very low157 Ų157141.4 Ų141.468%0.68373%0.733SS**  cis-174.8156.2-34.1-130.8176.3-178.4176.40109.7
1290H32.3Very low31.4Very low152 Ų152142.5 Ų142.570%0.70473%0.733SS**  trans71.6158162.6-67.60.5000117.5
1291K31.4Very low31.3Very low172 Ų172145.7 Ų145.775%0.74874%0.74SS**  cis-159.4135.6-4.5-124.7179178.1-174.20113.5
1292V30.3Very low31.3Very low132 Ų132146.2 Ų146.280%0.874%0.736SS**  trans53.2131.7130.9172.10000123.9
1293G30.3Very low31.5Very low65 Ų65146.1 Ų146.167%0.6774%0.736SS**  trans129.5143.7150.100000114.6
1294F32.1Very low31.7Very low174 Ų174147.1 Ų147.176%0.76374%0.736SS**  cis-164.9143.2-6.7-127.7-93000108.3
1295F32.6Very low31.8Very low171 Ų171148.6 Ų148.675%0.7574%0.739SS**  trans34.6145151.8-73.6-128.3000120.2
1296N31.4Very low31.9Very low141 Ų141147.4 Ų147.475%0.75473%0.734SS**  cis-165.6169.424.4-137.813000112.4
1297E27.9Very low31.9Very low173 Ų173150 Ų15081%0.80874%0.738SS**  trans-88.3-176.1163.9-59.7-179.712700110.5
1298P41Very low32.1Very low104 Ų104148.6 Ų148.668%0.67574%0.739SS**  cis-143.5-178.85.845.1-25.7000118.5
1299D32.6Very low32.3Very low132 Ų132149.1 Ų149.171%0.70675%0.746SS**  trans55.8118140.4-85.9-50.3000124.2
1300H34.5Very low32.5Very low168 Ų168146.8 Ų146.878%0.77874%0.744SS**  159.7164.989.9-111.323.3000113.5
1301H30.3Very low32.6Very low178 Ų178148.4 Ų148.482%0.82475%0.752SS**  trans-72.3165.3-176.5-60.3-92.5000113.4
1302I33.7Very low32.6Very low144 Ų144147.5 Ų147.574%0.73875%0.751SS**  -165.313763.6-84.2-178.1000112.9
1303E30.5Very low32.6Very low159 Ų159149.2 Ų149.274%0.74375%0.75SS**  trans45.5126.1146.2-62.1-170.5113.100126.5
1304Y34.5Very low32.9Very low192 Ų192151.9 Ų151.975%0.75376%0.758SS**  trans62.9108131.8-77-78.6000124.7
1305Q31.2Very low33Very low152 Ų152152.8 Ų152.871%0.7176%0.762SS**  110.5125.2118.1-113179.6-61.100123.1
1306D31Very low33.2Very low124 Ų124149.9 Ų149.966%0.66376%0.758SS**  trans82.8129146.5-70.2-24000125.4
1307E30.6Very low33.8Very low179 Ų179148.4 Ų148.484%0.83675%0.754SS**  trans51.6114.4150.1-62.6-165.4149.100119.5
1308S35.3Very low34.4Very low104 Ų104150.8 Ų150.873%0.72776%0.756SS**  168.3171.760.1450000112.4
1309L33.5Very low34.3Very low158 Ų158151.9 Ų151.983%0.82776%0.755SS**  trans15.7142.8146.1-78.284.2000120.5
1310V35.9Very low34.7Very low108 Ų108152.7 Ų152.766%0.65576%0.755SS**  cis-162.8145.7-4.4101.50000109.8
1311E33.1Very low35.2Very low186 Ų186153.8 Ų153.887%0.86975%0.752SS**  trans176.9145.5135.2-102.3178.2-177.500107.9
1312Q32.1Very low35.9Very low153 Ų153147.8 Ų147.872%0.71573%0.733SS**  cis177164.4-36.4172.7160.7-35.500103.9
1313E30.8Very low36.3Very low169 Ų169147.7 Ų147.779%0.7973%0.73SS**  trans73.9158.7-176.5-45.4-160.1148.300115.9K1315E1313-K1315 PolarHBondContact O-N 2.74Å
1314S36.6Very low37.2Very low120 Ų120143.1 Ų143.184%0.83972%0.715SS**SBendtrans70.43.3-178.3-53.60000119.7
1315K33.6Very low37.9Very low194 Ų194139 Ų13984%0.84371%0.706SS**  trans-110.528173.3-124179.5-173.8-179.60115.8E1313E1313-K1315 PolarHBondContact O-N 2.74Å
1316T37.3Very low38.6Very low109 Ų109135.7 Ų135.767%0.66970%0.699SS**SBendtrans-106.56.3-175.533.40000115.8
1317V43.7Very low39.3Very low110 Ų110135.6 Ų135.667%0.66770%0.695SS**SBendtrans-108.1-11.1-174.9-178.10000113.9
1318W41.1Very low40.2Very low223 Ų223134.1 Ų134.185%0.84569%0.686SS**SBendtrans-108.2-7.5-174.2-88.484.6000116
1319L38.8Very low40.8Very low127 Ų127137 Ų13767%0.66569%0.685SS**SBendtrans-95.4-39.2175.2-85.7161.4000113.1R1321 A1322 E1323L1319-R1321 PolarHBondContact O-N 3.38Å; L1319-A1322 WeakPolarHBondContact O-CB 3.37Å; L1319-A1322 PolarHBondContact O-N 3.46Å; L1319-E1323 PolarHBondContact O-N 3.29Å
1320E40.7Very low41.4Very low149 Ų149136 Ų13670%0.69668%0.676SS**Hα-helixtrans-57.6-25.9174.4-62.5-172.1140.600112.8S1324E1320-S1324 WeakPolarHBondContact O-CB 3.46Å; E1320-S1324 PolarHBondContact O-N 3.35Å
1321R44.9Very low41.9Very low191 Ų191135.8 Ų135.872%0.72167%0.671SS**Hα-helixtrans-80.1-16.9177.6-155.1168.4-173.2122-1113.9L1319 I1325L1319-R1321 PolarHBondContact O-N 3.38Å; R1321-I1325 WeakPolarHBondContact O-CD1 3.17Å; R1321-I1325 WeakPolarHBondContact O-CG1 3.39Å
1322A44.3Very low42.6Very low52 Ų52131.8 Ų131.843%0.4366%0.656SS.*Hα-helixtrans-82.2-46.2172.500000111.1L1319 S1324 I1325 S1326L1319-A1322 WeakPolarHBondContact O-CB 3.37Å; L1319-A1322 PolarHBondContact O-N 3.46Å; A1322-S1324 VanDerWaalsContact C-N 3.32Å; A1322-S1324 PolarHBondContact O-N 2.83Å; A1322-I1325 PolarHBondContact O-N 2.71Å; A1322-S1326 PolarHBondContact O-N 3.01Å
1323E42.5Very low43.1Very low142 Ų142129.9 Ų129.966%0.66465%0.651SS**Hα-helixtrans-66.5-33.7-179.1-64.1-174.7131.200112.2L1319 I1325 S1326 Q1327L1319-E1323 PolarHBondContact O-N 3.29Å; E1323-I1325 PolarHBondContact O-N 3.45Å; E1323-S1326 PolarHBondContact O-N 2.85Å; E1323-Q1327 PolarHBondContact O-N 2.76Å
1324S48.7Very low43.7Very low63 Ų63126.3 Ų126.344%0.44164%0.637SS.*Hα-helixtrans-62.8-19.7172.6-162.40000114.3E1320 A1322E1320-S1324 WeakPolarHBondContact O-CB 3.46Å; E1320-S1324 PolarHBondContact O-N 3.35Å; A1322-S1324 VanDerWaalsContact C-N 3.32Å; A1322-S1324 PolarHBondContact O-N 2.83Å
1325I50.8Low44.3Very low107 Ų107127.5 Ų127.555%0.54962%0.624SS.*Hα-helixtrans-89.4-41.8176.4-65.5174000110.7R1321 A1322 E1323 Q1327 K1328 F1329R1321-I1325 WeakPolarHBondContact O-CD1 3.17Å; R1321-I1325 WeakPolarHBondContact O-CG1 3.39Å; A1322-I1325 PolarHBondContact O-N 2.71Å; E1323-I1325 PolarHBondContact O-N 3.45Å; I1325-Q1327 VanDerWaalsContact C-N 3.32Å; I1325-Q1327 PolarHBondContact O-N 2.83Å; I1325-K1328 PolarHBondContact O-N 2.7Å; I1325-F1329 PolarHBondContact O-N 3.37Å
1326S45.7Very low44.6Very low82 Ų82125.5 Ų125.557%0.57361%0.611SS**Hα-helixtrans-58.9-41.7172.9-69.40000112.5A1322 E1323 K1328 F1329 H1330A1322-S1326 PolarHBondContact O-N 3.01Å; E1323-S1326 PolarHBondContact O-N 2.85Å; S1326-K1328 VanDerWaalsContact C-N 3.31Å; S1326-K1328 PolarHBondContact O-N 2.97Å; S1326-F1329 VanDerWaalsContact O-N 3.14Å; S1326-F1329 PolarHBondContact O-N 2.75Å; S1326-H1330 PolarHBondContact O-N 3.48Å
1327Q45.9Very low44.9Very low121 Ų121123.6 Ų123.657%0.56560%0.602SS**Hα-helixtrans-59.7-41.7178.7-157.967.725.400111.9E1323 I1325 F1329 H1330 D1331E1323-Q1327 PolarHBondContact O-N 2.76Å; I1325-Q1327 VanDerWaalsContact C-N 3.32Å; I1325-Q1327 PolarHBondContact O-N 2.83Å; Q1327-F1329 PolarHBondContact O-N 3.37Å; Q1327-F1329 VanDerWaalsContact C-N 3.3Å; Q1327-H1330 PolarHBondContact O-N 3.28Å; Q1327-H1330 VanDerWaalsContact O-N 3.14Å; Q1327-D1331 PolarHBondContact O-N 3.27Å; Q1327-D1331 VanDerWaalsContact O-N 3.14Å
1328K49.3Very low44.9Very low149 Ų149123.4 Ų123.465%0.64860%0.597SS**Hα-helixtrans-70.9-21178.6-73.5178.5176.9174.80114.1I1325 S1326I1325-K1328 PolarHBondContact O-N 2.7Å; S1326-K1328 VanDerWaalsContact C-N 3.31Å; S1326-K1328 PolarHBondContact O-N 2.97Å
1329F48.1Very low45Very low165 Ų165118.2 Ų118.272%0.72458%0.581SS**Hα-helixtrans-79.4-27.9169.6-102.1-87000113I1325 S1326 Q1327I1325-F1329 PolarHBondContact O-N 3.37Å; S1326-F1329 VanDerWaalsContact O-N 3.14Å; S1326-F1329 PolarHBondContact O-N 2.75Å; Q1327-F1329 PolarHBondContact O-N 3.37Å; Q1327-F1329 VanDerWaalsContact C-N 3.3Å
1330H46Very low45.1Very low137 Ų137118 Ų11863%0.63458%0.58SS**Hα-helixtrans-75.4-43.4175.9-117.757.8000112.7S1326 Q1327 N1332 N1333S1326-H1330 PolarHBondContact O-N 3.48Å; Q1327-H1330 PolarHBondContact O-N 3.28Å; Q1327-H1330 VanDerWaalsContact O-N 3.14Å; H1330-N1332 VanDerWaalsContact C-N 3.3Å; H1330-N1332 PolarHBondContact O-N 2.74Å; H1330-N1333 PolarHBondContact O-N 2.65Å
1331D46.2Very low45Very low102 Ų102117 Ų11755%0.54558%0.575SS.*Hα-helixtrans-67.3-29.7-178.5-69.1-30.1000113.1Q1327Q1327-D1331 PolarHBondContact O-N 3.27Å; Q1327-D1331 VanDerWaalsContact O-N 3.14Å
1332N46.4Very low45Very low103 Ų103112.8 Ų112.855%0.55157%0.567SS**Hα-helixtrans-76-22.5179.4-154.213.9000113.1H1330 Y1335H1330-N1332 VanDerWaalsContact C-N 3.3Å; H1330-N1332 PolarHBondContact O-N 2.74Å; N1332-Y1335 PolarHBondContact O-N 3.35Å
1333N43.1Very low44.9Very low113 Ų113115.9 Ų115.960%0.60458%0.575SS**Hα-helixtrans-75.6-32.5178.1-142.43.9000111.5H1330 Y1335 W1336 S1337H1330-N1333 PolarHBondContact O-N 2.65Å; N1333-Y1335 PolarHBondContact O-N 3.33Å; N1333-W1336 PolarHBondContact O-N 2.91Å; N1333-S1337 PolarHBondContact O-N 2.78Å
1334N44.8Very low44.7Very low93 Ų93116.2 Ų116.250%0.49758%0.582SS.*Hα-helixtrans-69-16.6174.6-78.5-46.4000114N1338N1334-N1338 PolarHBondContact O-ND2 2.84Å
1335Y47.3Very low44.3Very low146 Ų146119.5 Ų119.557%0.57359%0.588SS**Hα-helixtrans-73.5-31.3175.8-170.1-102.8000112.8N1332 N1333N1332-Y1335 PolarHBondContact O-N 3.35Å; N1333-Y1335 PolarHBondContact O-N 3.33Å
1336W41Very low43.7Very low151 Ų151121.7 Ų121.757%0.57260%0.6SS**Hα-helixtrans-89.3-37.4-177.6-73.697.1000113.4N1333 N1338 K1339 L1340N1333-W1336 PolarHBondContact O-N 2.91Å; W1336-N1338 VanDerWaalsContact C-N 3.35Å; W1336-N1338 PolarHBondContact O-N 3.02Å; W1336-K1339 PolarHBondContact O-N 3.44Å; W1336-L1340 PolarHBondContact O-N 3.34Å
1337S44.5Very low43.2Very low70 Ų70126.7 Ų126.749%0.4961%0.611SS.*Hα-helixtrans-58.1-43.9173.9-600000112.5N1333 K1339 L1340 E1341N1333-S1337 PolarHBondContact O-N 2.78Å; S1337-K1339 VanDerWaalsContact O-N 3.11Å; S1337-K1339 PolarHBondContact O-N 3.38Å; S1337-L1340 PolarHBondContact O-N 2.73Å; S1337-E1341 PolarHBondContact O-N 3.25Å
1338N43Very low42.5Very low105 Ų105128.6 Ų128.656%0.56163%0.625SS**Hα-helixtrans-65.8-12.1177.5-82.5-69.7000114.5N1334 W1336 N1342N1334-N1338 PolarHBondContact O-ND2 2.84Å; W1336-N1338 VanDerWaalsContact C-N 3.35Å; W1336-N1338 PolarHBondContact O-N 3.02Å; N1338-N1342 PolarHBondContact O-ND2 3.49Å
1339K42.6Very low41.6Very low115 Ų115127.5 Ų127.550%0.564%0.637SS.*Hα-helixtrans-98.3-24.2-179.8-153168-173.41740113.2W1336 S1337W1336-K1339 PolarHBondContact O-N 3.44Å; S1337-K1339 VanDerWaalsContact O-N 3.11Å; S1337-K1339 PolarHBondContact O-N 3.38Å
1340L40.3Very low41.1Very low123 Ų123125 Ų12564%0.64464%0.639SS**Hα-helixtrans-79.8-39.8172-85.8149.9000112W1336 S1337 N1342 I1343W1336-L1340 PolarHBondContact O-N 3.34Å; S1337-L1340 PolarHBondContact O-N 2.73Å; L1340-N1342 PolarHBondContact O-N 3.36Å; L1340-I1343 PolarHBondContact O-N 3.22Å; L1340-I1343 VanDerWaalsContact O-N 3.12Å
1341E40.4Very low40.5Very low127 Ų127129.1 Ų129.159%0.59365%0.649SS**THydrogen-bonded Turntrans-69.82.8-178.9-142.8-155122.100114.9S1337 K1345S1337-E1341 PolarHBondContact O-N 3.25Å; E1341-K1345 WeakPolarHBondContact O-CE 3.39Å; E1341-K1345 PolarHBondContact OE1-NZ 3.48Å; E1341-K1345 IonicContact OE1-NZ 2.66Å; E1341-K1345 PolarHBondContact O-NZ 3.33Å; E1341-K1345 WeakPolarHBondContact O-CD 3.42Å
1342N43.4Very low39.9Very low103 Ų103130.6 Ų130.655%0.55166%0.657SS**THydrogen-bonded Turntrans-107.2-3.5175-87.6-56.6000114.1N1338 L1340N1338-N1342 PolarHBondContact O-ND2 3.49Å; L1340-N1342 PolarHBondContact O-N 3.36Å
1343I41.9Very low39.3Very low116 Ų116132.1 Ų132.160%0.59567%0.671SS**THydrogen-bonded Turntrans-92.8-38.8-178.9-66.7177.1000111.6L1340 K1345 L1346L1340-I1343 PolarHBondContact O-N 3.22Å; L1340-I1343 VanDerWaalsContact O-N 3.12Å; I1343-K1345 PolarHBondContact O-N 2.86Å; I1343-L1346 PolarHBondContact O-N 2.87Å
1344D39.7Very low38.9Very low150 Ų150133.1 Ų133.180%0.80268%0.68SS**G310 helixtrans-70.7-12.6176.2-76.8-34.1000114.1L1346D1344-L1346 VanDerWaalsContact C-N 3.3Å; D1344-L1346 PolarHBondContact O-N 2.88Å
1345K39.1Very low38.2Very low132 Ų132137.2 Ų137.257%0.57470%0.697SS**G310 helixtrans-84.64.2178.2-66.6178.6-176.9128.10114.1E1341 I1343E1341-K1345 WeakPolarHBondContact O-CE 3.39Å; E1341-K1345 PolarHBondContact OE1-NZ 3.48Å; E1341-K1345 IonicContact OE1-NZ 2.66Å; E1341-K1345 PolarHBondContact O-NZ 3.33Å; E1341-K1345 WeakPolarHBondContact O-CD 3.42Å; I1343-K1345 PolarHBondContact O-N 2.86Å
1346L38.4Very low37.5Very low152 Ų152135.5 Ų135.580%0.79671%0.706SS**G310 helixtrans-121.38.8-174.4-88.5167.2000115.9I1343 D1344I1343-L1346 PolarHBondContact O-N 2.87Å; D1344-L1346 VanDerWaalsContact C-N 3.3Å; D1344-L1346 PolarHBondContact O-N 2.88Å
1347K35.1Very low37.2Very low187 Ų187134.7 Ų134.781%0.81372%0.717SS**SBendtrans-117.78.5-176.4-94.8-175.6176.7178.60117.5
1348N32.2Very low36.4Very low162 Ų162133.8 Ų133.887%0.86672%0.719SS**  trans-140.277.7171.2-90.1-50.6000112.2
1349S30.3Very low35.8Very low126 Ų126136.5 Ų136.588%0.88173%0.728SS**  trans-148.673.7165.6-163.80000109.5
1350S36.3Very low35Very low112 Ų112138.7 Ų138.778%0.78374%0.74SS**  trans-87.9125.5-178.3-67.40000111.6
1351R34.5Very low34.5Very low224 Ų224137.4 Ų137.485%0.84575%0.747SS**  trans62.2132.8152.6-86.1-175.9-179.5142.53.9120.2
1352D34Very low34.1Very low132 Ų132139.7 Ų139.771%0.70676%0.757SS**  trans71.383.3137.6-49.7-17.9000118.1
1353T33Very low33.4Very low136 Ų136139.5 Ų139.583%0.83476%0.76SS**  trans-24.2128.8140.437.10000114.8
1354V34.7Very low32.8Very low133 Ų133140.8 Ų140.881%0.80677%0.767SS**  -159.615398.7143.40000110.8
1355Q30.6Very low32.2Very low180 Ų180144.5 Ų144.584%0.84177%0.769SS**  trans-62.7145.7-174.7-54.4138.8-33.300113.9
1356S32.1Very low31.6Very low109 Ų109143.7 Ų143.776%0.76278%0.776SS**  -166.3142.2126.1-165.40000111.6
1357V35.4Very low31.2Very low134 Ų134143 Ų14381%0.81277%0.773SS**  trans16.2122.7156.8-1770000117
1358G28.1Very low31.3Very low52 Ų52140 Ų14054%0.53677%0.77SS.*  cis111.495.23300000109.6
1359H30.6Very low31.6Very low161 Ų161139.4 Ų139.475%0.74577%0.767SS**  89112.3111.9-8134.4000114.5
1360Q25.5Very low32Very low162 Ų162139.2 Ų139.276%0.75776%0.761SS**  89.1110.380.4-81.2-177.73.200113.1
1361A30.2Very low31.7Very low95 Ų95140.8 Ų140.879%0.78576%0.76SS**  trans175.6147.9156.900000109
1362H31.4Very low31.7Very low175 Ų175140.2 Ų140.281%0.8176%0.758SS**  cis-166.7136.9-25-122.520.2000109.2
1363T27.3Very low31.4Very low100 Ų100143.5 Ų143.561%0.61377%0.766SS**  71.195.9128.1-51.70000122.9
1364I29.5Very low31.2Very low142 Ų142143.4 Ų143.473%0.72877%0.765SS**  87.9141124.7-68.6-177.8000124
1365R27.5Very low30.7Very low228 Ų228146.8 Ų146.886%0.8677%0.769SS**  trans74.8149.4161.9-83.1166.2-177.7-175.6-0.2118.8
1366T27.3Very low31.3Very low115 Ų115143 Ų14371%0.70676%0.76SS**  cis-160.1156.2-2.44.70000113.5
1367N29.9Very low31.1Very low137 Ų137143.6 Ų143.673%0.73376%0.759SS**  trans45113.9149.3-70.419.8000125.5
1368T36.4Very low30.9Very low124 Ų124147.1 Ų147.176%0.76176%0.758SS**  53.9113.6126.963.60000125.5
1369N38.9Very low31.1Very low150 Ų150151 Ų15180%0.80277%0.766SS**  66.8137.3129.2-976.9000126.7
1370T38.8Very low31.4Very low123 Ų123148 Ų14876%0.75576%0.763SS**  trans69120148.448.70000123.6
1371D30.5Very low31.6Very low144 Ų144146.5 Ų146.577%0.7776%0.76SS**  trans70.5153.7143.2-150.612.3000121.1
1372R33.7Very low31.8Very low212 Ų212147.1 Ų147.180%0.876%0.759SS**  trans57.8110.7170.2-62.8-175.7-176.8-176-1120
1373K29.2Very low31.9Very low201 Ų201145.4 Ų145.487%0.87476%0.756SS**  -4.4124.2119.9-71172.7172.6171.10115.9
1374V27.1Very low32.2Very low135 Ų135147.2 Ų147.282%0.81877%0.767SS**  -172.5106.3121.2139.90000112.7
1375K25.7Very low32.3Very low204 Ų204144 Ų14489%0.88777%0.769SS**  trans58175.6140.2-90.1-171.2172.1178.40119.7
1376P42.2Very low32.5Very low100 Ų100139.1 Ų139.165%0.64976%0.764SS**  trans-131.7-149.9-146.345.1-27.8000113.7
1377T27.8Very low32.6Very low121 Ų121139.6 Ų139.674%0.74276%0.762SS**  trans74.5153.4161.139.50000116.4
1378R31.3Very low32.7Very low208 Ų208142.1 Ų142.179%0.78576%0.763SS**  cis-162160.314.9-136.4-179.9-179.5175.3-2.1111.9
1379L33.6Very low32.5Very low133 Ų133142.8 Ų142.870%0.69676%0.762SS**  trans67.3152.9155.8-59.5173000117.9D1381L1379-D1381 WeakPolarHBondContact CD2-OD2 3.49Å
1380S35.2Very low32.3Very low100 Ų100141 Ų14170%0.69976%0.761SS**  cis-138.9119.1-0.652.50000113.4
1381D30.7Very low32.1Very low130 Ų130138.9 Ų138.970%0.69576%0.763SS**  38.8125.6122.2-45.3-52.3000120.8L1379L1379-D1381 WeakPolarHBondContact CD2-OD2 3.49Å
1382S34.6Very low32.3Very low107 Ų107143.8 Ų143.875%0.74877%0.771SS**  -179.5148.389.7460000116.5
1383N32.4Very low32.5Very low139 Ų139137.8 Ų137.874%0.74376%0.762SS**  trans73108.8144.7-72-4.8000125.4
1384T34.8Very low32.9Very low139 Ų139136.8 Ų136.885%0.85376%0.757SS**  78137.712460.30000122.9
1385G30.8Very low33.3Very low74 Ų74136.7 Ų136.776%0.76375%0.752SS**  trans158.6108.7159.700000114
1386V32.7Very low33.9Very low126 Ų126132 Ų13276%0.76474%0.741SS**  trans-146.3134-179.41690000111.6
1387N28.9Very low33.5Very low125 Ų125135.5 Ų135.567%0.66875%0.745SS**  trans58.4146.1171.6-60.9-20.1000116.2
1388Y32Very low33.8Very low190 Ų190135.8 Ų135.875%0.74574%0.742SS**  -179.8154.355.5-112.3-64.9000110.1
1389N31.8Very low33.7Very low138 Ų138133.9 Ų133.974%0.73874%0.742SS**  trans62156.2149.5-68.3-25000119.9
1390S34.8Very low34.3Very low113 Ų113132.2 Ų132.279%0.7974%0.739SS**  cis-166.1141.1-24.6530000109.9
1391G34.4Very low34.3Very low78 Ų78133 Ų13380%0.80474%0.739SS**  trans-153.4113.5176.400000111.9
1392R34.3Very low34.4Very low246 Ų246132.6 Ų132.693%0.92874%0.738SS**  trans-73.3165.5-171.5-70.7177.6170.6174-3.5113.7
1393S38.7Very low34.5Very low87 Ų87138 Ų13861%0.60874%0.743SS**  cis160.3167.9-47.160.20000111.2
1394K36.6Very low34.8Very low179 Ų179139.7 Ų139.778%0.77875%0.746SS**  trans83.1146.8166.9-49-154.7170.1-170.40116.5
1395L36.2Very low34.8Very low133 Ų133138.1 Ų138.170%0.69674%0.736SS**  cis-172.9165.9-26.8-107.5148000104.6
1396T37.7Very low34.9Very low107 Ų107143.3 Ų143.366%0.65674%0.738SS**  cis-166.3140.243.832.30000112.2
1397K34.7Very low34.9Very low172 Ų172143.1 Ų143.175%0.74874%0.742SS**  trans61154130.7-59-179.6165.4-167.20121.3
1398L33.2Very low35Very low128 Ų128140.6 Ų140.667%0.6775%0.746SS**  cis-161.6145.2-16.8-106.4166.7000110.9
1399E29.8Very low34.9Very low167 Ų167137.9 Ų137.978%0.7874%0.744SS**  trans-16.5179.5139.1-77.3173.1-178.200121.5
1400P45.4Very low35Very low98 Ų98138.7 Ų138.764%0.63674%0.741SS**  cis-139.9-179-18.926.6-3000115.7
1401T35.8Very low34.8Very low116 Ų116141.8 Ų141.871%0.71274%0.741SS**  147120.2123.748.60000117
1402D33.6Very low34.9Very low123 Ų123144 Ų14466%0.65874%0.738SS**  trans32.6128.5133.1-42.2-27.4000122.8
1403Y36.7Very low34.7Very low220 Ų220140.8 Ų140.886%0.86373%0.731SS**  -170.3-171.584.8-108.2-73.8000112.5
1404H37.5Very low34.4Very low174 Ų174142.9 Ų142.981%0.80673%0.734SS**  trans-144.4160.8-145.8-136.321.6000115.2
1405V34.7Very low34.2Very low107 Ų107140 Ų14065%0.64873%0.731SS**  trans86.898.9150.2173.40000122
1406K33.3Very low33.8Very low183 Ų183138.7 Ų138.780%0.79673%0.733SS**  65.5134.3123.2-59.1-176.4-179.4177.20125.8
1407S32.3Very low33.5Very low121 Ų121141.8 Ų141.885%0.84674%0.742SS**  trans70127132.262.20000122.2
1408G31.8Very low33.5Very low73 Ų73138.4 Ų138.475%0.75374%0.74SS**  trans169.162.9167.400000118
1409D29Very low33.7Very low133 Ų133141.6 Ų141.671%0.71175%0.749SS**  trans47.3137.3142.7-107.617.1000125.1
1410K35.5Very low33.7Very low155 Ų155141.2 Ų141.267%0.67475%0.75SS**  trans86109.4139.1-71.4-175.4173.495.40124.1
1411F30.6Very low33.1Very low178 Ų178143.4 Ų143.478%0.78176%0.757SS**  87.3156.4124.4-89.3-68.7000124
1412V35Very low33.1Very low123 Ų123143.6 Ų143.675%0.74576%0.76SS**  trans74.9102172.1-162.70000113.3
1413K31.5Very low33.5Very low179 Ų179144.4 Ų144.478%0.77877%0.769SS**  cis68.6152.744.4-139.1-171.1-178-176.60110
1414I31.3Very low33.8Very low132 Ų132138.8 Ų138.868%0.67776%0.76SS**  cis-136.7-173.87-12.1173.9000105.7
1415T31.6Very low33.8Very low117 Ų117137.8 Ų137.872%0.71876%0.759SS**  cis-145.9133.415-47.90000111.1
1416S29.8Very low33.8Very low106 Ų106140.9 Ų140.974%0.74176%0.763SS**  -123.2168.5129.166.70000107.4
1417M29.7Very low33.9Very low172 Ų172139 Ų13985%0.84776%0.757SS**  trans83.789.4-171.3-56-155.9157.900117.6
1418S35.1Very low34.1Very low101 Ų101139.8 Ų139.871%0.70675%0.75SS**  -49.8153.8127.842.70000111.9
1419K36.7Very low34.2Very low196 Ų196140.7 Ų140.785%0.85275%0.745SS**  cis-163.71401.7-110.1162.8-176.4178.70107.2
1420I31.3Very low34.5Very low158 Ų158140.2 Ų140.281%0.8175%0.747SS**SBendtrans-139.9122.8143.1-65.6-171.5000108.1
1421N33.2Very low34.5Very low145 Ų145142 Ų14278%0.77575%0.751SS**  trans48144.1164.1-63.41.3000122.7
1422P35.4Very low34.8Very low120 Ų120143.2 Ų143.278%0.77975%0.751SS**  trans-90.8172.7176.838.8-36.9000113.4
1423V42Very low34.8Very low140 Ų140142.3 Ų142.385%0.84875%0.749SS**  trans-132.2131.4174.21780000111.3
1424P43.1Very low35Very low102 Ų102138.9 Ų138.966%0.66275%0.748SS**  trans-116.4156.3158.936.1-24.9000111.6
1425I36.1Very low35.1Very low152 Ų152143.3 Ų143.378%0.77976%0.756SS**  cis-164.4161.4-9.8-116.6163.4000108
1426K35.4Very low35.3Very low173 Ų173144.8 Ų144.875%0.75276%0.758SS**  trans103.8140.5177.2-67.5168.5178.1177.60114.8
1427H35.7Very low35.7Very low144 Ų144152.9 Ų152.967%0.66778%0.78SS**  cis-148.6146.71.1-108.8-56.4000111.8
1428I36.4Very low36Very low136 Ų136152 Ų15270%0.69778%0.777SS**  trans66.4108139.8-67166.3000120.9
1429S34.3Very low36Very low93 Ų93154.6 Ų154.665%0.6578%0.78SS**  trans55.8130.4137.776.90000125
1430T35.2Very low36Very low122 Ų122152.3 Ų152.375%0.74878%0.777SS**  trans74.5136.3135.947.20000123.3
1431Y34.4Very low36.3Very low192 Ų192152 Ų15275%0.75378%0.775SS**  trans81.8118.9146.4-102.2-114.2000121.6
1432R37.3Very low36.5Very low205 Ų205152.4 Ų152.477%0.77477%0.774SS**  trans40.9117.8141.4-76-172.9173.1175.7-2.2120.7
1433S35.3Very low36.5Very low103 Ų103154.6 Ų154.672%0.7277%0.774SS**  82.1131.7127.4-59.30000120.8
1434S34.8Very low36.1Very low107 Ų107155.6 Ų155.675%0.74877%0.769SS**  trans64.8108.1143.455.10000120.9
1435R34.2Very low35.6Very low226 Ų226159.8 Ų159.885%0.85378%0.777SS**  78116.5129.9-75-175.8169.4178.2-2.8120.6
1436I36.3Very low35.6Very low148 Ų148160.4 Ų160.476%0.75978%0.777SS**  trans68.595.4131.6-51.8164.4000116.1
1437K37.6Very low35.6Very low276 Ų276159.3 Ų159.3100%1.278%0.779SS**  -145.60101.5-118-179.7-179.3-179.20111.2

Retrieved 1,437 of 1,437 residues in 2639.7 ms (Link to these results)