A0A3Q0KQZ4_SCHMA Loading...

Serine/arginine repetitive matrix protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KQZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 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
1M62.8Low81.9Confident215 Ų215129.6 Ų129.6100%1.05963%0.628SS**  01110-87.6-65.8-157.100107.1K3M1-K3 PolarHBondContact O-N 3.39Å
2D79.7Confident81.4Confident122 Ų122129.8 Ų129.865%0.65263%0.626SS**  trans-72.8120.1-177.7-68.1-25.9000110.1K4 L5 V6D2-K4 PolarHBondContact O-N 3.48Å; D2-K4 VanDerWaalsContact O-N 3.15Å; D2-L5 HydrophobicContact CB-CB 4.17Å; D2-L5 WeakPolarHBondContact O-CB 3.39Å; D2-L5 PolarHBondContact O-N 3.4Å; D2-V6 PolarHBondContact O-N 3.39Å
3K85.2Confident80.9Confident161 Ų161122.4 Ų122.470%0.760%0.6SS**Hα-helixtrans-51.9-39.2178.7-169.8-174.3175.1-1620111.9M1 L5 V6 D7M1-K3 PolarHBondContact O-N 3.39Å; K3-L5 VanDerWaalsContact C-N 3.3Å; K3-L5 PolarHBondContact O-N 3.48Å; K3-V6 PolarHBondContact O-N 3.27Å; K3-D7 WeakPolarHBondContact O-CB 3.46Å; K3-D7 VanDerWaalsContact O-CG 3.23Å; K3-D7 PolarHBondContact O-N 3.47Å
4K84.8Confident80.3Confident173 Ų173119.3 Ų119.375%0.75259%0.591SS**Hα-helixtrans-61.6-33.6176.7-66.9-175.9178.1178.70113.5D2 N8D2-K4 PolarHBondContact O-N 3.48Å; D2-K4 VanDerWaalsContact O-N 3.15Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.35Å; K4-N8 PolarHBondContact O-ND2 3.42Å
5L86.7Confident79.4Confident118 Ų118115.6 Ų115.662%0.61858%0.578SS**Hα-helixtrans-72.5-41.7178.8-172.765.3000110.7D2 K3 Y9D2-L5 HydrophobicContact CB-CB 4.17Å; D2-L5 WeakPolarHBondContact O-CB 3.39Å; D2-L5 PolarHBondContact O-N 3.4Å; K3-L5 VanDerWaalsContact C-N 3.3Å; K3-L5 PolarHBondContact O-N 3.48Å; L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.21Å
6V84.3Confident78.3Confident72 Ų72117 Ų11744%0.43658%0.582SS.*Hα-helixtrans-64.7-46.2175.6-178.90000110.6D2 K3 N8 Y9 V10D2-V6 PolarHBondContact O-N 3.39Å; K3-V6 PolarHBondContact O-N 3.27Å; V6-N8 PolarHBondContact O-N 3.03Å; V6-Y9 PolarHBondContact O-N 3.02Å; V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.37Å; V6-V10 PolarHBondContact O-N 3.48Å
7D85.1Confident77.6Confident86 Ų86116.6 Ų116.646%0.4658%0.582SS.*Hα-helixtrans-61.8-42.2179.4-68.4-20.2000111.7K3 V10 K11K3-D7 WeakPolarHBondContact O-CB 3.46Å; K3-D7 VanDerWaalsContact O-CG 3.23Å; K3-D7 PolarHBondContact O-N 3.47Å; D7-V10 PolarHBondContact O-N 2.99Å; D7-K11 WeakPolarHBondContact O-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å
8N84.5Confident76.9Confident88 Ų88121.2 Ų121.247%0.47159%0.592SS.*Hα-helixtrans-64-42.9174.1-84.4-34.8000112K4 V6 V10 K11 H12K4-N8 WeakPolarHBondContact O-CB 3.49Å; K4-N8 PolarHBondContact O-N 3.35Å; K4-N8 PolarHBondContact O-ND2 3.42Å; V6-N8 PolarHBondContact O-N 3.03Å; N8-V10 PolarHBondContact O-N 3.27Å; N8-K11 PolarHBondContact O-N 3.37Å; N8-H12 PolarHBondContact O-CD2 3.04Å; N8-H12 PolarHBondContact O-N 3.42Å
9Y82.9Confident76.5Confident174 Ų174120.3 Ų120.368%0.68259%0.589SS**Hα-helixtrans-61.7-44.7177.2-177-97.6000111.9L5 V6 K11 H12 A13L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.21Å; V6-Y9 PolarHBondContact O-N 3.02Å; Y9-K11 VanDerWaalsContact C-N 3.33Å; Y9-K11 PolarHBondContact O-N 3.32Å; Y9-H12 PolarHBondContact O-N 3.16Å; Y9-A13 WeakPolarHBondContact O-CB 3.41Å; Y9-A13 PolarHBondContact O-N 3.31Å
10V82.2Confident76Confident78 Ų78115.8 Ų115.847%0.47358%0.575SS.*Hα-helixtrans-63.3-39.9176.4174.30000111V6 D7 N8 A13 T14V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 WeakPolarHBondContact O-CG2 3.37Å; V6-V10 PolarHBondContact O-N 3.48Å; D7-V10 PolarHBondContact O-N 2.99Å; N8-V10 PolarHBondContact O-N 3.27Å; V10-A13 PolarHBondContact O-N 3.49Å; V10-T14 HydrophobicContact CG1-CG2 4.42Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 WeakPolarHBondContact O-CG2 3.45Å; V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.22Å
11K82.9Confident75.6Confident139 Ų139112.8 Ų112.860%0.60457%0.565SS**Hα-helixtrans-64.5-41.1175.3-169176.8179.7-177.60112.2D7 N8 Y9 T14 T15D7-K11 WeakPolarHBondContact O-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å; N8-K11 PolarHBondContact O-N 3.37Å; Y9-K11 VanDerWaalsContact C-N 3.33Å; Y9-K11 PolarHBondContact O-N 3.32Å; K11-T14 WeakPolarHBondContact CA-OG1 3.39Å; K11-T14 PolarHBondContact O-OG1 2.71Å; K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 VanDerWaalsContact O-CG2 3.32Å; K11-T15 WeakPolarHBondContact O-CG2 3.43Å; K11-T15 PolarHBondContact O-N 3.18Å; K11-T15 VanDerWaalsContact O-N 3.09Å; K11-T15 PolarHBondContact O-OG1 3.34Å
12H75.2Confident75.8Confident131 Ų131105.7 Ų105.761%0.60653%0.534SS*.Hα-helixtrans-68.3-40.4175-81-70.3000112.4N8 Y9 T15 H16N8-H12 PolarHBondContact O-CD2 3.04Å; N8-H12 PolarHBondContact O-N 3.42Å; Y9-H12 PolarHBondContact O-N 3.16Å; H12-T15 WeakPolarHBondContact CA-OG1 3.24Å; H12-T15 PolarHBondContact O-OG1 3.22Å; H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.32Å; H12-H16 PolarHBondContact O-N 3.02Å
13A75.4Confident75.5Confident34 Ų34106 Ų10628%0.28153%0.532SS..Hα-helixtrans-65.8-43.3177.700000112.1Y9 V10 H16 N17Y9-A13 WeakPolarHBondContact O-CB 3.41Å; Y9-A13 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 3.49Å; A13-H16 PolarHBondContact O-N 3.4Å; A13-N17 WeakPolarHBondContact O-CB 3.36Å; A13-N17 PolarHBondContact O-N 2.87Å; A13-N17 PolarHBondContact O-ND2 3.49Å
14T72Confident75Confident79 Ų79103.8 Ų103.849%0.48552%0.524SS..Hα-helixtrans-66.2-41.5178480000112.2V10 K11 N17 R18V10-T14 HydrophobicContact CG1-CG2 4.42Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 WeakPolarHBondContact O-CG2 3.45Å; V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.22Å; K11-T14 WeakPolarHBondContact CA-OG1 3.39Å; K11-T14 PolarHBondContact O-OG1 2.71Å; T14-N17 PolarHBondContact O-N 3.22Å; T14-R18 VanDerWaalsContact O-CB 3.32Å; T14-R18 WeakPolarHBondContact O-CB 3.47Å; T14-R18 PolarHBondContact O-N 3.44Å
15T67.3Low74.7Confident64 Ų64101.9 Ų101.939%0.39352%0.516SS..Hα-helixtrans-65.9-43.7175.349.50000111.8K11 H12 N17 R18 L19K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 VanDerWaalsContact O-CG2 3.32Å; K11-T15 WeakPolarHBondContact O-CG2 3.43Å; K11-T15 PolarHBondContact O-N 3.18Å; K11-T15 VanDerWaalsContact O-N 3.09Å; K11-T15 PolarHBondContact O-OG1 3.34Å; H12-T15 WeakPolarHBondContact CA-OG1 3.24Å; H12-T15 PolarHBondContact O-OG1 3.22Å; T15-N17 PolarHBondContact O-N 3.2Å; T15-R18 PolarHBondContact O-N 2.91Å; T15-L19 WeakPolarHBondContact O-CB 3.32Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.12Å
16H62.6Low74.2Confident138 Ų138100.5 Ų100.564%0.63951%0.512SS*.Hα-helixtrans-62.8-41.8175.4-173.1-85.7000112.3H12 A13 R18 L19 G20H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.32Å; H12-H16 PolarHBondContact O-N 3.02Å; A13-H16 PolarHBondContact O-N 3.4Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 2.96Å; H16-L19 PolarHBondContact O-N 2.91Å; H16-G20 PolarHBondContact O-N 3.36Å
17N65Low73.9Confident110 Ų110102 Ų10259%0.58852%0.517SS*.Hα-helixtrans-66.6-36.5176.5-71.4-21.1000112.2A13 T14 T15 S21A13-N17 WeakPolarHBondContact O-CB 3.36Å; A13-N17 PolarHBondContact O-N 2.87Å; A13-N17 PolarHBondContact O-ND2 3.49Å; T14-N17 PolarHBondContact O-N 3.22Å; T15-N17 PolarHBondContact O-N 3.2Å; N17-S21 VanDerWaalsContact O-CB 3.24Å; N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.02Å
18R66.3Low73.7Confident200 Ų200103.4 Ų103.476%0.75552%0.521SS*.Hα-helixtrans-67.7-45.5175.8-162.7176.7-162172.84.6110.9T14 T15 H16 S21 T22T14-R18 VanDerWaalsContact O-CB 3.32Å; T14-R18 WeakPolarHBondContact O-CB 3.47Å; T14-R18 PolarHBondContact O-N 3.44Å; T15-R18 PolarHBondContact O-N 2.91Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 2.96Å; R18-S21 PolarHBondContact O-N 3.02Å; R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.5Å; R18-T22 PolarHBondContact O-OG1 3.15Å
19L68.7Low73.7Confident104 Ų104104.7 Ų104.755%0.54552%0.524SS..Hα-helixtrans-67.4-45.2178.8-71.1172.9000111.8T15 H16 S21 T22 E23T15-L19 WeakPolarHBondContact O-CB 3.32Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.12Å; H16-L19 PolarHBondContact O-N 2.91Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.6Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.4Å; L19-T22 PolarHBondContact O-N 3.5Å; L19-T22 VanDerWaalsContact O-N 3.09Å; L19-T22 PolarHBondContact O-OG1 2.7Å; L19-E23 WeakPolarHBondContact O-CB 3.49Å; L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.45Å
20G67.2Low73.8Confident29 Ų29100.7 Ų100.730%0.29951%0.511SS..Hα-helixtrans-61.7-37.7174.900000112.4H16 Q24H16-G20 PolarHBondContact O-N 3.36Å; G20-Q24 VanDerWaalsContact O-CB 3.29Å; G20-Q24 WeakPolarHBondContact O-CB 3.29Å; G20-Q24 PolarHBondContact O-N 3.35Å
21S66.1Low74Confident54 Ų54102.1 Ų102.138%0.37851%0.513SS..Hα-helixtrans-67.4-38.4172.7-176.30000112.3N17 R18 L19 K25N17-S21 VanDerWaalsContact O-CB 3.24Å; N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.02Å; R18-S21 PolarHBondContact O-N 3.02Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 2.6Å; S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.23Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 3.37Å
22T68.4Low74.3Confident66 Ų6698.8 Ų98.841%0.40551%0.507SS..Hα-helixtrans-69.9-41.4176.250.20000112.2R18 L19 Q24 K25 V26R18-T22 WeakPolarHBondContact O-CG2 3.27Å; R18-T22 PolarHBondContact O-N 3.5Å; R18-T22 PolarHBondContact O-OG1 3.15Å; L19-T22 VanDerWaalsContact CA-OG1 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.4Å; L19-T22 PolarHBondContact O-N 3.5Å; L19-T22 VanDerWaalsContact O-N 3.09Å; L19-T22 PolarHBondContact O-OG1 2.7Å; T22-Q24 VanDerWaalsContact C-N 3.35Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.9Å
23E73Confident75.1Confident127 Ų12799.3 Ų99.359%0.59350%0.503SS*.Hα-helixtrans-63.7-42.4176.5-73.6-179.4179.600110.9L19 K25 V26 L27L19-E23 WeakPolarHBondContact O-CB 3.49Å; L19-E23 WeakPolarHBondContact O-CG 3.48Å; L19-E23 PolarHBondContact O-N 3.45Å; E23-K25 PolarHBondContact O-N 3.45Å; E23-V26 PolarHBondContact O-N 2.96Å; E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.48Å
24Q74.3Confident75.8Confident116 Ų116103.2 Ų103.254%0.54251%0.511SS..Hα-helixtrans-63.1-42.1174.5-172.5175.2-9.200111.8G20 T22 V26 L27 E28G20-Q24 VanDerWaalsContact O-CB 3.29Å; G20-Q24 WeakPolarHBondContact O-CB 3.29Å; G20-Q24 PolarHBondContact O-N 3.35Å; T22-Q24 VanDerWaalsContact C-N 3.35Å; Q24-V26 PolarHBondContact O-N 3.14Å; Q24-L27 PolarHBondContact O-N 2.86Å; Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.37Å; Q24-E28 PolarHBondContact NE2-OE1 3.41Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.39Å; Q24-E28 PolarHBondContact O-N 3.1Å
25K78.1Confident76.7Confident132 Ų132101.9 Ų101.957%0.57450%0.499SS*.Hα-helixtrans-61-42.7174.7-77.3174.4-176.9-175.60112.1S21 T22 E23 E28 E29S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.23Å; S21-K25 WeakPolarHBondContact O-CG 3.43Å; S21-K25 PolarHBondContact O-N 3.37Å; T22-K25 PolarHBondContact O-N 2.9Å; E23-K25 PolarHBondContact O-N 3.45Å; K25-E28 PolarHBondContact O-N 3.13Å; K25-E29 VanDerWaalsContact O-CB 3.32Å; K25-E29 WeakPolarHBondContact O-CB 3.29Å; K25-E29 PolarHBondContact O-N 2.96Å
26V76.9Confident77.7Confident89 Ų89102.4 Ų102.454%0.53950%0.499SS..Hα-helixtrans-62.9-43177170.90000110.6T22 E23 Q24 E29 E30T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.9Å; E23-V26 PolarHBondContact O-N 2.96Å; Q24-V26 PolarHBondContact O-N 3.14Å; V26-E29 PolarHBondContact O-N 3.37Å; V26-E30 WeakPolarHBondContact O-CB 3.29Å; V26-E30 PolarHBondContact O-N 3.37Å
27L77.1Confident79Confident105 Ų105103.4 Ų103.455%0.5550%0.501SS..Hα-helixtrans-65.6-41.8177-71.5171.1000112.5E23 Q24 E30 Q31E23-L27 WeakPolarHBondContact O-CG 3.49Å; E23-L27 PolarHBondContact O-N 3.48Å; Q24-L27 PolarHBondContact O-N 2.86Å; L27-E30 PolarHBondContact O-N 2.72Å; L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 3.43Å
28E81.4Confident80.2Confident115 Ų115103.6 Ų103.654%0.53749%0.494SS..Hα-helixtrans-65.4-40.9176.3-74.5176.3-167.300111.7Q24 K25 Q31 C32Q24-E28 HydrophobicContact CG-CG 4.49Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.37Å; Q24-E28 PolarHBondContact NE2-OE1 3.41Å; Q24-E28 WeakPolarHBondContact O-CB 3.48Å; Q24-E28 WeakPolarHBondContact O-CG 3.39Å; Q24-E28 PolarHBondContact O-N 3.1Å; K25-E28 PolarHBondContact O-N 3.13Å; E28-Q31 PolarHBondContact O-N 3.41Å; E28-C32 WeakPolarHBondContact O-CB 3.23Å; E28-C32 PolarHBondContact O-N 2.92Å
29E84.4Confident81.2Confident115 Ų115101.6 Ų101.654%0.53749%0.486SS..Hα-helixtrans-64-43.2174.3-176173.9-175.500111.6K25 V26 Q31 C32 W33K25-E29 VanDerWaalsContact O-CB 3.32Å; K25-E29 WeakPolarHBondContact O-CB 3.29Å; K25-E29 PolarHBondContact O-N 2.96Å; V26-E29 PolarHBondContact O-N 3.37Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; E29-C32 VanDerWaalsContact O-CB 3.29Å; E29-C32 WeakPolarHBondContact O-CB 3.43Å; E29-C32 PolarHBondContact O-N 3.29Å; E29-C32 VanDerWaalsContact O-N 3.16Å; E29-W33 VanDerWaalsContact O-CD1 3.26Å; E29-W33 PolarHBondContact O-N 3.28Å
30E86.3Confident81.9Confident89 Ų89102.1 Ų102.142%0.41649%0.486SS..Hα-helixtrans-63.5-40177.7-154.1-161.4150.200111.6V26 L27 C32 W33 R34V26-E30 WeakPolarHBondContact O-CB 3.29Å; V26-E30 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 2.72Å; E30-C32 VanDerWaalsContact C-N 3.35Å; E30-W33 PolarHBondContact O-N 3.28Å; E30-R34 VanDerWaalsContact CD-NH2 3.28Å; E30-R34 WeakPolarHBondContact O-CG 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.5Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.89Å; E30-R34 IonicContact OE1-NH2 3.47Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å; E30-R34 IonicContact OE2-NH2 3.35Å; E30-R34 PolarHBondContact OE2-NH2 3.02Å
31Q85.1Confident82.8Confident108 Ų108108.5 Ų108.551%0.50551%0.505SS..Hα-helixtrans-64.4-39.4173.6-69.5-73.4-2.100111.9L27 E28 E29 R34 E35L27-Q31 VanDerWaalsContact O-CG 3.24Å; L27-Q31 WeakPolarHBondContact O-CG 3.41Å; L27-Q31 PolarHBondContact O-N 3.43Å; E28-Q31 PolarHBondContact O-N 3.41Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-Q31 PolarHBondContact O-N 3.41Å; Q31-R34 PolarHBondContact O-N 2.88Å; Q31-E35 PolarHBondContact O-N 2.89Å
32C89.5Confident83.4Confident70 Ų70113.5 Ų113.547%0.47352%0.516SS..Hα-helixtrans-58.5-48.9174.1-173.90000110.9E28 E29 E30 R34 E35 I36E28-C32 WeakPolarHBondContact O-CB 3.23Å; E28-C32 PolarHBondContact O-N 2.92Å; E29-C32 VanDerWaalsContact O-CB 3.29Å; E29-C32 WeakPolarHBondContact O-CB 3.43Å; E29-C32 PolarHBondContact O-N 3.29Å; E29-C32 VanDerWaalsContact O-N 3.16Å; E30-C32 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact O-N 3.48Å; C32-E35 PolarHBondContact O-N 3.39Å; C32-E35 VanDerWaalsContact O-N 3.15Å; C32-I36 WeakPolarHBondContact O-CG1 3.49Å; C32-I36 PolarHBondContact O-N 2.85Å
33W91.2Very high83.6Confident142 Ų142112.9 Ų112.954%0.53851%0.514SS..Hα-helixtrans-63-38.2178.1-79.5115.5000113.4E29 E30 E35 I36 K37E29-W33 VanDerWaalsContact O-CD1 3.26Å; E29-W33 PolarHBondContact O-N 3.28Å; E30-W33 PolarHBondContact O-N 3.28Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.89Å; W33-I36 HydrophobicContact CD2-CD1 4.46Å; W33-I36 HydrophobicContact CE3-CB 4.43Å; W33-I36 HydrophobicContact CE3-CD1 3.98Å; W33-I36 HydrophobicContact CE3-CG2 4.42Å; W33-I36 HydrophobicContact CZ3-CD1 4.19Å; W33-I36 HydrophobicContact CZ3-CG2 4.43Å; W33-I36 PolarHBondContact O-N 3.21Å; W33-K37 WeakPolarHBondContact O-CG 3.42Å; W33-K37 PolarHBondContact O-N 3.02Å
34R91.2Very high83.6Confident116 Ų116110 Ų11044%0.43850%0.503SS..Hα-helixtrans-62.7-40.3173.8-70.8178.3-162.3168.82.6111.8E30 Q31 C32 R38E30-R34 VanDerWaalsContact CD-NH2 3.28Å; E30-R34 WeakPolarHBondContact O-CG 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-CZ 3.5Å; E30-R34 IonicContact OE1-NE 2.7Å; E30-R34 PolarHBondContact OE1-NE 2.89Å; E30-R34 IonicContact OE1-NH2 3.47Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å; E30-R34 IonicContact OE2-NH2 3.35Å; E30-R34 PolarHBondContact OE2-NH2 3.02Å; Q31-R34 PolarHBondContact O-N 2.88Å; C32-R34 PolarHBondContact O-N 3.48Å; R34-R38 WeakPolarHBondContact O-CB 3.4Å; R34-R38 PolarHBondContact O-N 3.05Å
35E90.7Very high83.3Confident50 Ų50111.5 Ų111.523%0.23451%0.51CS..Hα-helixtrans-68.8-40176.3177.858.3-163.300111.9Q31 C32 W33 R38 R39Q31-E35 PolarHBondContact O-N 2.89Å; C32-E35 PolarHBondContact O-N 3.39Å; C32-E35 VanDerWaalsContact O-N 3.15Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.89Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.22Å; E35-R38 IonicContact OE2-CZ 3.49Å; E35-R38 IonicContact OE2-NE 3.85Å; E35-R38 IonicContact OE2-NH1 2.6Å; E35-R38 PolarHBondContact OE2-NH1 3Å; E35-R39 WeakPolarHBondContact O-CG 3.31Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NE 3.41Å; E35-R39 PolarHBondContact OE1-NE 3.16Å; E35-R39 IonicContact OE1-NH2 2.79Å; E35-R39 PolarHBondContact OE1-NH2 2.94Å
36I89Confident82.4Confident76 Ų76108.9 Ų108.939%0.3951%0.508SS..Hα-helixtrans-59.5-49.3174.2-68.4166.8000110.6C32 W33 R38 R39 H40C32-I36 WeakPolarHBondContact O-CG1 3.49Å; C32-I36 PolarHBondContact O-N 2.85Å; W33-I36 HydrophobicContact CD2-CD1 4.46Å; W33-I36 HydrophobicContact CE3-CB 4.43Å; W33-I36 HydrophobicContact CE3-CD1 3.98Å; W33-I36 HydrophobicContact CE3-CG2 4.42Å; W33-I36 HydrophobicContact CZ3-CD1 4.19Å; W33-I36 HydrophobicContact CZ3-CG2 4.43Å; W33-I36 PolarHBondContact O-N 3.21Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.38Å; I36-R39 PolarHBondContact O-N 3.38Å; I36-H40 PolarHBondContact O-N 3.43Å
37K89.6Confident81.6Confident158 Ų158112.5 Ų112.569%0.68751%0.512SS*.Hα-helixtrans-58.8-39.9176-75.7-178.4179.91770111.9W33 H40 K41W33-K37 WeakPolarHBondContact O-CG 3.42Å; W33-K37 PolarHBondContact O-N 3.02Å; K37-H40 PolarHBondContact O-N 3.02Å; K37-K41 PolarHBondContact O-N 3.48Å
38R89Confident80.7Confident115 Ų115114.6 Ų114.643%0.43452%0.523SS..Hα-helixtrans-64.4-42.2177.3-169.6-174.4-61142.8-0.6112.1R34 E35 I36 R42R34-R38 WeakPolarHBondContact O-CB 3.4Å; R34-R38 PolarHBondContact O-N 3.05Å; E35-R38 WeakPolarHBondContact O-CB 3.48Å; E35-R38 PolarHBondContact O-N 3.22Å; E35-R38 IonicContact OE2-CZ 3.49Å; E35-R38 IonicContact OE2-NE 3.85Å; E35-R38 IonicContact OE2-NH1 2.6Å; E35-R38 PolarHBondContact OE2-NH1 3Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.38Å; R38-R42 WeakPolarHBondContact O-CG 3.24Å; R38-R42 PolarHBondContact O-N 2.92Å; R38-R42 VanDerWaalsContact O-N 3.12Å
39R87.1Confident79.6Confident158 Ų158119.3 Ų119.360%0.59654%0.536SS*.Hα-helixtrans-66.4-42.1175.4-71.3179.3-170.8175.53.1111.7E35 I36 K41 R42 S43E35-R39 WeakPolarHBondContact O-CG 3.31Å; E35-R39 PolarHBondContact O-N 2.76Å; E35-R39 IonicContact OE1-CZ 2.69Å; E35-R39 IonicContact OE1-NE 3.41Å; E35-R39 PolarHBondContact OE1-NE 3.16Å; E35-R39 IonicContact OE1-NH2 2.79Å; E35-R39 PolarHBondContact OE1-NH2 2.94Å; I36-R39 PolarHBondContact O-N 3.38Å; R39-K41 PolarHBondContact O-N 3.24Å; R39-R42 PolarHBondContact O-N 2.98Å; R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.95Å
40H85.1Confident78Confident115 Ų115118.9 Ų118.953%0.53255%0.546SS..Hα-helixtrans-60.8-45.1177.1-168.277.7000111.6I36 K37 R42 S43 N44I36-H40 PolarHBondContact O-N 3.43Å; K37-H40 PolarHBondContact O-N 3.02Å; H40-R42 PolarHBondContact O-N 3.09Å; H40-S43 PolarHBondContact O-N 2.8Å; H40-N44 PolarHBondContact CD2-ND2 2.96Å; H40-N44 VanDerWaalsContact CD2-ND2 3.31Å; H40-N44 PolarHBondContact NE2-ND2 3.27Å; H40-N44 PolarHBondContact O-N 3.48Å
41K85.8Confident76.5Confident163 Ų163120.2 Ų120.271%0.70956%0.562SS**Hα-helixtrans-58.9-44174.2-172.9174.6-178.5176.10112.5K37 R39 E45K37-K41 PolarHBondContact O-N 3.48Å; R39-K41 PolarHBondContact O-N 3.24Å; K41-E45 PolarHBondContact O-N 2.99Å
42R78.7Confident74.8Confident159 Ų159122 Ų12260%0.657%0.57SS**Hα-helixtrans-66.8-34.8177.4-72.7176.2-179.2150.3-2113R38 R39 H40 S46R38-R42 WeakPolarHBondContact O-CG 3.24Å; R38-R42 PolarHBondContact O-N 2.92Å; R38-R42 VanDerWaalsContact O-N 3.12Å; R39-R42 PolarHBondContact O-N 2.98Å; H40-R42 PolarHBondContact O-N 3.09Å; R42-S46 PolarHBondContact O-N 3.23Å
43S73Confident73.4Confident52 Ų52123.6 Ų123.636%0.36458%0.583SS.*Hα-helixtrans-68.9-44178.2-174.40000111.5R39 H40 E45 S46 R47R39-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 2.95Å; H40-S43 PolarHBondContact O-N 2.8Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.48Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 PolarHBondContact O-OG 2.79Å; S43-R47 PolarHBondContact O-N 3.41Å
44N72.6Confident71.9Confident68 Ų68121.9 Ų121.936%0.36458%0.584SS.*Hα-helixtrans-64.3-37.9178.7-70.1-17.5000112.3H40 S46 R47H40-N44 PolarHBondContact CD2-ND2 2.96Å; H40-N44 VanDerWaalsContact CD2-ND2 3.31Å; H40-N44 PolarHBondContact NE2-ND2 3.27Å; H40-N44 PolarHBondContact O-N 3.48Å; N44-S46 PolarHBondContact O-N 3.35Å; N44-R47 PolarHBondContact O-N 2.96Å
45E67.5Low70.4Confident147 Ų147119.3 Ų119.369%0.68758%0.583SS**Hα-helixtrans-65.6-23.4174.2-16867.3-138.900113K41 S43K41-E45 PolarHBondContact O-N 2.99Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.48Å
46S60.4Low68.9Low76 Ų76120.6 Ų120.653%0.53160%0.602SS.*Hα-helixtrans-86-20-178.973.80000114.1R42 S43 N44 D48R42-S46 PolarHBondContact O-N 3.23Å; S43-S46 PolarHBondContact O-N 2.95Å; S43-S46 PolarHBondContact O-OG 2.79Å; N44-S46 PolarHBondContact O-N 3.35Å; S46-D48 VanDerWaalsContact C-N 3.34Å; S46-D48 PolarHBondContact O-N 2.69Å
47R59.1Low67.8Low166 Ų166123.6 Ų123.663%0.62662%0.615SS**Hα-helixtrans-72.9-23.3-176.8-81.6179.2164.7165.4-5.6113.8S43 N44 R49S43-R47 PolarHBondContact O-N 3.41Å; N44-R47 PolarHBondContact O-N 2.96Å; R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.03Å
48D58.6Low67.1Low148 Ų148119 Ų11979%0.79160%0.602SS**THydrogen-bonded Turntrans-85.55.4-178.9-71-26.4000114.3S46S46-D48 VanDerWaalsContact C-N 3.34Å; S46-D48 PolarHBondContact O-N 2.69Å
49R57.6Low66.6Low215 Ų215119 Ų11981%0.81161%0.607SS**SBendtrans-131.794.2177-72-164.3173.6136.30.9113.4R47R47-R49 VanDerWaalsContact C-N 3.29Å; R47-R49 PolarHBondContact O-N 3.03Å
50S50.6Low66.4Low106 Ų106118.2 Ų118.274%0.74161%0.61SS**SBendtrans99.5137.9152.9-163.80000115.9E52S50-E52 PolarHBondContact O-N 3.41Å
51P54.5Low66.4Low117 Ų117115.5 Ų115.576%0.7661%0.608SS**  trans-67.3131.2-170.4-12.527.2000112.1S53P51-S53 PolarHBondContact O-N 3.43Å; P51-S53 VanDerWaalsContact O-N 3.16Å
52E51Low66.5Low144 Ų144113.3 Ų113.367%0.67360%0.603SS**  trans-66.499.1173.1-64.6128.215900110.5S50 C55S50-E52 PolarHBondContact O-N 3.41Å; E52-C55 HydrophobicContact CB-CB 3.98Å; E52-C55 HydrophobicContact CG-CB 4.35Å
53S60.2Low67.1Low105 Ų105109 Ų10973%0.73459%0.592SS**SBendtrans-114.910.7167.8810000113.4P51P51-S53 PolarHBondContact O-N 3.43Å; P51-S53 VanDerWaalsContact O-N 3.16Å
54N59.1Low67.9Low106 Ų106109.1 Ų109.157%0.56760%0.596SS**SBendtrans-131.53.3175.6-71.8-67.1000112.9A56 Q57 S58N54-A56 PolarHBondContact O-N 2.98Å; N54-Q57 PolarHBondContact O-N 3.17Å; N54-S58 PolarHBondContact O-N 3.4Å; N54-S58 PolarHBondContact O-OG 3.42Å; N54-S58 VanDerWaalsContact O-OG 3.1Å
55C58.7Low68.8Low62 Ų62113.5 Ų113.542%0.41961%0.609SS.*Hα-helixtrans-61.7-48.8-172.1-167.70000111.7E52 Q57 S58 E59E52-C55 HydrophobicContact CB-CB 3.98Å; E52-C55 HydrophobicContact CG-CB 4.35Å; C55-Q57 PolarHBondContact O-N 3.3Å; C55-S58 WeakPolarHBondContact CA-OG 3.36Å; C55-S58 PolarHBondContact O-N 3.47Å; C55-S58 VanDerWaalsContact O-N 3.13Å; C55-S58 PolarHBondContact O-OG 2.98Å; C55-E59 WeakPolarHBondContact O-CB 3.36Å; C55-E59 PolarHBondContact O-N 3.39Å
56A60.9Low70Confident76 Ų76110.8 Ų110.863%0.62860%0.596SS**Hα-helixtrans-62.5-39179.500000113.6N54 E59 Q60N54-A56 PolarHBondContact O-N 2.98Å; A56-E59 PolarHBondContact O-N 3.35Å; A56-Q60 PolarHBondContact O-N 2.73Å; A56-Q60 VanDerWaalsContact O-N 3.14Å
57Q64.4Low71.5Confident140 Ų140114.6 Ų114.665%0.65460%0.599SS**Hα-helixtrans-70.7-33.6175.8-70.9-169.2-34.500112.2N54 C55 A61N54-Q57 PolarHBondContact O-N 3.17Å; C55-Q57 PolarHBondContact O-N 3.3Å; Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.77Å
58S75.6Confident73.1Confident60 Ų60109 Ų10942%0.4259%0.588SS.*Hα-helixtrans-72-35.1174.958.40000112.8N54 C55 A61 L62N54-S58 PolarHBondContact O-N 3.4Å; N54-S58 PolarHBondContact O-OG 3.42Å; N54-S58 VanDerWaalsContact O-OG 3.1Å; C55-S58 WeakPolarHBondContact CA-OG 3.36Å; C55-S58 PolarHBondContact O-N 3.47Å; C55-S58 VanDerWaalsContact O-N 3.13Å; C55-S58 PolarHBondContact O-OG 2.98Å; S58-A61 PolarHBondContact O-N 3.47Å; S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 2.96Å
59E78.1Confident74.7Confident115 Ų115106.3 Ų106.354%0.53757%0.573SS.*Hα-helixtrans-68.1-47.4178.4-169.4166.9-165.800111.1C55 A56 A61 L62 D63C55-E59 WeakPolarHBondContact O-CB 3.36Å; C55-E59 PolarHBondContact O-N 3.39Å; A56-E59 PolarHBondContact O-N 3.35Å; E59-A61 PolarHBondContact O-N 3.46Å; E59-L62 WeakPolarHBondContact O-CB 3.38Å; E59-L62 PolarHBondContact O-N 2.82Å; E59-D63 PolarHBondContact O-N 2.86Å
60Q83.3Confident76.4Confident143 Ų143102.5 Ų102.567%0.66856%0.559SS**Hα-helixtrans-59.4-34.4174.3-167.8-179.310.500112.8A56 A64A56-Q60 PolarHBondContact O-N 2.73Å; A56-Q60 VanDerWaalsContact O-N 3.14Å; Q60-A64 WeakPolarHBondContact O-CB 3.34Å; Q60-A64 PolarHBondContact O-N 3.23Å
61A84.8Confident78.3Confident58 Ų58101.7 Ų101.748%0.47955%0.55SS..Hα-helixtrans-70.5-35.6175.300000112.6Q57 S58 E59 Y65Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.77Å; S58-A61 PolarHBondContact O-N 3.47Å; E59-A61 PolarHBondContact O-N 3.46Å; A61-Y65 WeakPolarHBondContact O-CB 3.37Å; A61-Y65 PolarHBondContact O-N 2.93Å
62L88Confident80.1Confident116 Ų116102.4 Ų102.461%0.60754%0.543SS*.Hα-helixtrans-66.7-43.7173.3-70.9171.7000110.9S58 E59 A64 Y65 E66S58-L62 WeakPolarHBondContact O-CG 3.45Å; S58-L62 PolarHBondContact O-N 2.96Å; E59-L62 WeakPolarHBondContact O-CB 3.38Å; E59-L62 PolarHBondContact O-N 2.82Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.85Å; L62-Y65 PolarHBondContact O-N 3.27Å; L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 3.49Å
63D91Very high81.9Confident69 Ų6998 Ų9837%0.36953%0.531SS..Hα-helixtrans-63.2-39.2176.6-68.6-12000112.4E59 E66 R67E59-D63 PolarHBondContact O-N 2.86Å; D63-E66 PolarHBondContact O-N 2.93Å; D63-R67 PolarHBondContact O-N 3.28Å; D63-R67 PolarHBondContact O-NH1 2.94Å
64A90.5Very high83.5Confident54 Ų54100.6 Ų100.645%0.44653%0.529SS..Hα-helixtrans-64.9-42.5175.200000111.4Q60 L62 R67 A68Q60-A64 WeakPolarHBondContact O-CB 3.34Å; Q60-A64 PolarHBondContact O-N 3.23Å; L62-A64 VanDerWaalsContact C-N 3.34Å; L62-A64 PolarHBondContact O-N 2.85Å; A64-R67 PolarHBondContact O-N 3.48Å; A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.89Å
65Y91.6Very high84.9Confident161 Ų161103.8 Ų103.863%0.63153%0.533SS*.Hα-helixtrans-64.4-41.5175.9179.2-107.2000112A61 L62 A68 L69A61-Y65 WeakPolarHBondContact O-CB 3.37Å; A61-Y65 PolarHBondContact O-N 2.93Å; L62-Y65 PolarHBondContact O-N 3.27Å; Y65-A68 WeakPolarHBondContact O-CB 3.32Å; Y65-A68 PolarHBondContact O-N 2.92Å; Y65-L69 PolarHBondContact O-N 3.43Å
66E92.6Very high86.3Confident89 Ų89103.5 Ų103.542%0.41653%0.532SS..Hα-helixtrans-67.1-40.6178.3-159.7-162.3-167.500111.8L62 D63 L69 R70L62-E66 WeakPolarHBondContact O-CB 3.34Å; L62-E66 PolarHBondContact O-N 3.49Å; D63-E66 PolarHBondContact O-N 2.93Å; E66-L69 PolarHBondContact O-N 3.27Å; E66-R70 VanDerWaalsContact CD-CZ 3.43Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.2Å; E66-R70 IonicContact OE1-CZ 3.6Å; E66-R70 IonicContact OE1-NH1 3.34Å; E66-R70 PolarHBondContact OE1-NH1 3.09Å; E66-R70 IonicContact OE1-NH2 2.9Å; E66-R70 PolarHBondContact OE1-NH2 3.41Å; E66-R70 IonicContact OE2-CZ 3.45Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 2.92Å; E66-R70 IonicContact OE2-NH2 3.45Å; E66-R70 PolarHBondContact OE2-NH2 2.85Å
67R92Very high87.4Confident157 Ų157104.3 Ų104.359%0.59253%0.529SS*.Hα-helixtrans-59.8-45.8170.8-79.5-168.2-156.983.8-2111.6D63 A64 L69 R70 T71D63-R67 PolarHBondContact O-N 3.28Å; D63-R67 PolarHBondContact O-NH1 2.94Å; A64-R67 PolarHBondContact O-N 3.48Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.27Å; R67-R70 PolarHBondContact O-N 3.49Å; R67-T71 WeakPolarHBondContact O-CG2 3.46Å; R67-T71 PolarHBondContact O-N 3.01Å; R67-T71 PolarHBondContact O-OG1 3.34Å
68A92.7Very high88.3Confident49 Ų49103.7 Ų103.741%0.40553%0.526SS..Hα-helixtrans-58.4-43.7178.400000111.4A64 Y65 R70 T71 E72A64-A68 WeakPolarHBondContact O-CB 3.38Å; A64-A68 PolarHBondContact O-N 2.89Å; Y65-A68 WeakPolarHBondContact O-CB 3.32Å; Y65-A68 PolarHBondContact O-N 2.92Å; A68-R70 PolarHBondContact O-N 3.17Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 PolarHBondContact O-OG1 3.15Å; A68-E72 WeakPolarHBondContact O-CB 3.35Å; A68-E72 PolarHBondContact O-N 2.87Å
69L92.1Very high88.5Confident91 Ų91105.7 Ų105.748%0.47653%0.531SS..Hα-helixtrans-62.6-42.1177.4-166.969.6000112.1Y65 E66 R67 E72 A73Y65-L69 PolarHBondContact O-N 3.43Å; E66-L69 PolarHBondContact O-N 3.27Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.27Å; L69-E72 PolarHBondContact O-N 3.45Å; L69-A73 WeakPolarHBondContact O-CB 3.34Å; L69-A73 PolarHBondContact O-N 2.94Å
70R92.1Very high88.5Confident134 Ų134105.7 Ų105.751%0.50653%0.534SS..Hα-helixtrans-63.7-41.6174.6-71.5-172.4-176.697.70.6112E66 R67 A68 A73 K74E66-R70 VanDerWaalsContact CD-CZ 3.43Å; E66-R70 WeakPolarHBondContact O-CG 3.49Å; E66-R70 PolarHBondContact O-N 3.2Å; E66-R70 IonicContact OE1-CZ 3.6Å; E66-R70 IonicContact OE1-NH1 3.34Å; E66-R70 PolarHBondContact OE1-NH1 3.09Å; E66-R70 IonicContact OE1-NH2 2.9Å; E66-R70 PolarHBondContact OE1-NH2 3.41Å; E66-R70 IonicContact OE2-CZ 3.45Å; E66-R70 IonicContact OE2-NH1 3.5Å; E66-R70 PolarHBondContact OE2-NH1 2.92Å; E66-R70 IonicContact OE2-NH2 3.45Å; E66-R70 PolarHBondContact OE2-NH2 2.85Å; R67-R70 PolarHBondContact O-N 3.49Å; A68-R70 PolarHBondContact O-N 3.17Å; R70-A73 PolarHBondContact O-N 3.05Å; R70-K74 WeakPolarHBondContact O-CG 3.44Å; R70-K74 PolarHBondContact O-N 2.83Å
71T91.2Very high87.7Confident90 Ų90103 Ų10355%0.55253%0.532SS*.Hα-helixtrans-67.8-38.3177.854.80000112.4R67 A68 K74 R75R67-T71 WeakPolarHBondContact O-CG2 3.46Å; R67-T71 PolarHBondContact O-N 3.01Å; R67-T71 PolarHBondContact O-OG1 3.34Å; A68-T71 WeakPolarHBondContact CA-OG1 3.41Å; A68-T71 PolarHBondContact O-N 3.24Å; A68-T71 PolarHBondContact O-OG1 3.15Å; T71-K74 PolarHBondContact O-N 3.3Å; T71-R75 WeakPolarHBondContact O-CB 3.44Å; T71-R75 PolarHBondContact O-N 2.83Å
72E91.6Very high86.6Confident131 Ų131104.6 Ų104.661%0.61254%0.535SS*.Hα-helixtrans-67.2-41.5175.8-175.4171.8-159.100111.2A68 L69 R75 S76A68-E72 WeakPolarHBondContact O-CB 3.35Å; A68-E72 PolarHBondContact O-N 2.87Å; L69-E72 PolarHBondContact O-N 3.45Å; E72-R75 PolarHBondContact O-N 2.97Å; E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.43Å
73A90.3Very high85.4Confident51 Ų51105.6 Ų105.642%0.42153%0.531SS..Hα-helixtrans-60.4-47.6173.300000111.6L69 R70 R75 S76 V77L69-A73 WeakPolarHBondContact O-CB 3.34Å; L69-A73 PolarHBondContact O-N 2.94Å; R70-A73 PolarHBondContact O-N 3.05Å; A73-R75 PolarHBondContact O-N 3.15Å; A73-S76 PolarHBondContact O-N 3.45Å; A73-S76 VanDerWaalsContact O-N 3.15Å; A73-S76 PolarHBondContact O-OG 3.36Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.48Å
74K92.6Very high83.8Confident161 Ų161108 Ų10870%0.755%0.548SS*.Hα-helixtrans-57.4-47.4174.1-76.3-176176.3-171.20111.9R70 T71 S76 V77 E78R70-K74 WeakPolarHBondContact O-CG 3.44Å; R70-K74 PolarHBondContact O-N 2.83Å; T71-K74 PolarHBondContact O-N 3.3Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.25Å; K74-V77 PolarHBondContact O-N 3.28Å; K74-E78 PolarHBondContact O-N 3.3Å
75R89.3Confident82.4Confident172 Ų172111.8 Ų111.865%0.64956%0.56SS**Hα-helixtrans-59.3-38.8176.4-171.7-173.4179.4109.32.6111.8T71 E72 A73 E78 L79T71-R75 WeakPolarHBondContact O-CB 3.44Å; T71-R75 PolarHBondContact O-N 2.83Å; E72-R75 PolarHBondContact O-N 2.97Å; A73-R75 PolarHBondContact O-N 3.15Å; R75-E78 PolarHBondContact O-N 3.41Å; R75-L79 HydrophobicContact CG-CD1 4.22Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 2.89Å
76S87.5Confident80.8Confident56 Ų56106.1 Ų106.139%0.39254%0.543SS..Hα-helixtrans-67.1-38.2178.376.20000112.5E72 A73 K74 L79 L80E72-S76 WeakPolarHBondContact O-CB 3.47Å; E72-S76 PolarHBondContact O-N 3.43Å; A73-S76 PolarHBondContact O-N 3.45Å; A73-S76 VanDerWaalsContact O-N 3.15Å; A73-S76 PolarHBondContact O-OG 3.36Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.25Å; S76-L79 PolarHBondContact O-N 3.19Å; S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 3.09Å
77V83.8Confident79Confident94 Ų94105.8 Ų105.857%0.5755%0.551SS**Hα-helixtrans-66.1-43.2175.6173.10000110.7A73 K74 L80 S81A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 3.48Å; K74-V77 PolarHBondContact O-N 3.28Å; V77-L80 CarbonylContact O-C 3.57Å; V77-L80 WeakPolarHBondContact O-CB 3.5Å; V77-L80 PolarHBondContact O-N 2.91Å; V77-L80 VanDerWaalsContact O-N 3.16Å; V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.13Å
78E83.5Confident77.3Confident126 Ų126101.6 Ų101.659%0.58955%0.55SS*.Hα-helixtrans-65.4-38176.2-171179.3-177.400112.4K74 R75 L80 S81 T82K74-E78 PolarHBondContact O-N 3.3Å; R75-E78 PolarHBondContact O-N 3.41Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.46Å; E78-S81 WeakPolarHBondContact CA-OG 3.25Å; E78-S81 PolarHBondContact O-N 3.43Å; E78-S81 PolarHBondContact O-OG 3.45Å; E78-T82 WeakPolarHBondContact O-CB 3.49Å; E78-T82 VanDerWaalsContact O-CG2 3.3Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 2.99Å
79L81Confident75.5Confident103 Ų103103.7 Ų103.754%0.53957%0.567SS.*Hα-helixtrans-65.6-34.1172-73.9171.3000112.2R75 S76 T82 R83R75-L79 HydrophobicContact CG-CD1 4.22Å; R75-L79 WeakPolarHBondContact O-CB 3.38Å; R75-L79 VanDerWaalsContact O-CG 3.25Å; R75-L79 WeakPolarHBondContact O-CG 3.36Å; R75-L79 PolarHBondContact O-N 2.89Å; S76-L79 PolarHBondContact O-N 3.19Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-OG1 2.91Å; L79-R83 WeakPolarHBondContact O-CB 3.25Å; L79-R83 PolarHBondContact O-N 3.34Å; L79-R83 VanDerWaalsContact O-N 3.15Å
80L76.1Confident73.5Confident115 Ų115102 Ų10260%0.60257%0.571SS**Hα-helixtrans-73.9-31.6174.6-72.5170.4000112.4S76 V77 E78S76-L80 WeakPolarHBondContact O-CB 3.42Å; S76-L80 VanDerWaalsContact O-CG 3.25Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; S76-L80 PolarHBondContact O-N 3.09Å; V77-L80 CarbonylContact O-C 3.57Å; V77-L80 WeakPolarHBondContact O-CB 3.5Å; V77-L80 PolarHBondContact O-N 2.91Å; V77-L80 VanDerWaalsContact O-N 3.16Å; E78-L80 VanDerWaalsContact C-N 3.31Å; E78-L80 PolarHBondContact O-N 3.46Å
81S66.8Low71.6Confident87 Ų8799.3 Ų99.361%0.60859%0.585SS**Hα-helixtrans-77.7-36.8176.568.20000112.5V77 E78 R83V77-S81 PolarHBondContact O-N 3.18Å; V77-S81 PolarHBondContact O-OG 3.13Å; E78-S81 WeakPolarHBondContact CA-OG 3.25Å; E78-S81 PolarHBondContact O-N 3.43Å; E78-S81 PolarHBondContact O-OG 3.45Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.45Å
82T61.6Low70Confident90 Ų90104.2 Ų104.255%0.55260%0.602SS**Hα-helixtrans-73.5-18.7174.152.90000112.7E78 L79 T84E78-T82 WeakPolarHBondContact O-CB 3.49Å; E78-T82 VanDerWaalsContact O-CG2 3.3Å; E78-T82 WeakPolarHBondContact O-CG2 3.49Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 2.99Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-OG1 2.91Å; T82-T84 VanDerWaalsContact C-N 3.26Å; T82-T84 PolarHBondContact O-N 3.04Å
83R63.5Low68.7Low138 Ų138101.4 Ų101.452%0.52159%0.591SS.*SBendtrans-68.290166.4-178.3172.5136.6102.5-5.6108.2L79 S81 L85L79-R83 WeakPolarHBondContact O-CB 3.25Å; L79-R83 PolarHBondContact O-N 3.34Å; L79-R83 VanDerWaalsContact O-N 3.15Å; S81-R83 VanDerWaalsContact C-N 3.26Å; S81-R83 PolarHBondContact O-N 3.45Å; R83-L85 PolarHBondContact O-N 3.21Å
84T58.2Low67.8Low118 Ų118102 Ų10272%0.72460%0.596SS**  trans-38.6101177.9-44.50000110.4T82T82-T84 VanDerWaalsContact C-N 3.26Å; T82-T84 PolarHBondContact O-N 3.04Å
85L61.1Low67Low135 Ų135100.7 Ų100.771%0.70759%0.59SS**PPolyproline II helixtrans-65.1137163.4-66.9176.4000106R83 S87R83-L85 PolarHBondContact O-N 3.21Å; L85-S87 PolarHBondContact O-N 2.95Å
86P56.9Low66.2Low41 Ų4197.5 Ų97.527%0.26658%0.583SS.*PPolyproline II helixtrans-51.3121.6164.8-18.831.2000106F97 T100P86-F97 HydrophobicContact CB-CD2 3.58Å; P86-F97 HydrophobicContact CB-CE2 4.08Å; P86-F97 WeakPolarHBondContact O-CD2 3.38Å; P86-F97 WeakPolarHBondContact O-CE2 3.37Å; P86-T100 HydrophobicContact CG-CG2 3.93Å
87S54.9Low65.8Low83 Ų8396.2 Ų96.258%0.5857%0.57SS**PPolyproline II helixtrans-84.3121.9177.5-177.90000108L85 A89 G90L85-S87 PolarHBondContact O-N 2.95Å; S87-A89 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact OG-N 2.92Å; S87-G90 PolarHBondContact O-N 3.35Å
88A55.7Low65.5Low69 Ų6999.4 Ų99.457%0.5757%0.572SS**THydrogen-bonded Turntrans-66.8-1917000000111.9G90 F97A88-G90 VanDerWaalsContact C-N 3.28Å; A88-G90 PolarHBondContact O-N 3.07Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CD2 3.96Å; A88-F97 HydrophobicContact CB-CE1 4Å; A88-F97 HydrophobicContact CB-CE2 3.73Å; A88-F97 HydrophobicContact CB-CG 4.23Å; A88-F97 HydrophobicContact CB-CZ 3.77Å
89A56.5Low65.4Low92 Ų9299.1 Ų99.176%0.7657%0.566SS**THydrogen-bonded Turntrans-80.7-4.3-179.100000113.5S87 G91S87-A89 PolarHBondContact O-N 3.42Å; S87-A89 PolarHBondContact OG-N 2.92Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.11Å; A89-G91 VanDerWaalsContact O-N 3.08Å
90G50.1Low65.1Low56 Ų5696.2 Ų96.258%0.57755%0.552SS**SBendtrans-83.866.3176.400000113.3S87 A88 Q92S87-G90 PolarHBondContact O-N 3.35Å; A88-G90 VanDerWaalsContact C-N 3.28Å; A88-G90 PolarHBondContact O-N 3.07Å; G90-Q92 VanDerWaalsContact C-N 3.29Å; G90-Q92 PolarHBondContact O-N 2.91Å
91G50.6Low65.1Low77 Ų7793.3 Ų93.379%0.79454%0.537SS*.THydrogen-bonded Turntrans20.6-6.1158.300000126.4A89A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.11Å; A89-G91 VanDerWaalsContact O-N 3.08Å
92Q58.1Low65.4Low194 Ų19491.6 Ų91.691%0.90753%0.528SS*.THydrogen-bonded Turntrans-136.1-10.1-174.2-73.4-155.4-37.400117.7G90G90-Q92 VanDerWaalsContact C-N 3.29Å; G90-Q92 PolarHBondContact O-N 2.91Å
93N65.5Low66Low72 Ų7294.9 Ų94.939%0.38553%0.53SS..  trans-156.273.4175.6-156.2-25.6000114.5K95 E96 F97N93-K95 PolarHBondContact O-N 3.43Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.06Å; N93-E96 HydrophobicContact CB-CB 4.18Å; N93-E96 VanDerWaalsContact ND2-CG 3.29Å; N93-E96 WeakPolarHBondContact ND2-CG 3.41Å; N93-E96 PolarHBondContact ND2-OE1 3.5Å; N93-E96 PolarHBondContact O-N 3.38Å; N93-E96 PolarHBondContact OD1-N 3.39Å; N93-F97 PolarHBondContact O-N 3.05Å; N93-F97 VanDerWaalsContact O-N 3.13Å
94A69.9Low66.2Low63 Ų6394.4 Ų94.452%0.52153%0.528SS..Hα-helixtrans-57.5-28.7173.100000112.9F97 W98A94-F97 WeakPolarHBondContact O-CB 3.3Å; A94-F97 PolarHBondContact O-N 3.42Å; A94-W98 PolarHBondContact O-N 2.99Å
95K76.2Confident66.6Low134 Ų13493.5 Ų93.558%0.58352%0.516SS*.Hα-helixtrans-67.9-39.4178.5-166.3177.2-171176.30111.9N93 R99N93-K95 PolarHBondContact O-N 3.43Å; N93-K95 WeakPolarHBondContact OD1-CB 3.38Å; N93-K95 PolarHBondContact OD1-N 3.06Å; K95-R99 VanDerWaalsContact CE-NH2 3.35Å; K95-R99 WeakPolarHBondContact O-CB 3.47Å; K95-R99 VanDerWaalsContact O-CG 3.3Å; K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.44Å
96E74.1Confident66.5Low104 Ų10491.7 Ų91.749%0.48651%0.514SS..Hα-helixtrans-75.6-31.1175-76.6-167.8-161.500113.5N93 R99 T100N93-E96 HydrophobicContact CB-CB 4.18Å; N93-E96 VanDerWaalsContact ND2-CG 3.29Å; N93-E96 WeakPolarHBondContact ND2-CG 3.41Å; N93-E96 PolarHBondContact ND2-OE1 3.5Å; N93-E96 PolarHBondContact O-N 3.38Å; N93-E96 PolarHBondContact OD1-N 3.39Å; E96-R99 PolarHBondContact O-N 3.34Å; E96-T100 VanDerWaalsContact O-CB 3.3Å; E96-T100 WeakPolarHBondContact O-CB 3.23Å; E96-T100 PolarHBondContact O-N 2.69Å; E96-T100 PolarHBondContact O-OG1 3.27Å
97F77.5Confident66.6Low30 Ų3096.8 Ų96.813%0.13254%0.538CS..Hα-helixtrans-54.4-55.5167164.7-90.3000110.3P86 A88 N93 A94 R99 T100 L101P86-F97 HydrophobicContact CB-CD2 3.58Å; P86-F97 HydrophobicContact CB-CE2 4.08Å; P86-F97 WeakPolarHBondContact O-CD2 3.38Å; P86-F97 WeakPolarHBondContact O-CE2 3.37Å; A88-F97 HydrophobicContact CB-CD1 4.22Å; A88-F97 HydrophobicContact CB-CD2 3.96Å; A88-F97 HydrophobicContact CB-CE1 4Å; A88-F97 HydrophobicContact CB-CE2 3.73Å; A88-F97 HydrophobicContact CB-CG 4.23Å; A88-F97 HydrophobicContact CB-CZ 3.77Å; N93-F97 PolarHBondContact O-N 3.05Å; N93-F97 VanDerWaalsContact O-N 3.13Å; A94-F97 WeakPolarHBondContact O-CB 3.3Å; A94-F97 PolarHBondContact O-N 3.42Å; F97-R99 PolarHBondContact O-N 3.19Å; F97-T100 PolarHBondContact O-N 3.48Å; F97-L101 HydrophobicContact CE1-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD1 4.15Å; F97-L101 HydrophobicContact CZ-CD1 3.53Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 PolarHBondContact O-N 3.15Å
98W78.2Confident66.8Low161 Ų16196.9 Ų96.961%0.6154%0.536SS*.Hα-helixtrans-66.9-37.4-179.4-71.4117.5000113.3A94 T100 L101 A102A94-W98 PolarHBondContact O-N 2.99Å; W98-T100 VanDerWaalsContact C-N 3.34Å; W98-T100 PolarHBondContact O-N 3.29Å; W98-L101 HydrophobicContact CE3-CD1 4.39Å; W98-L101 HydrophobicContact CE3-CD2 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 4.21Å; W98-L101 HydrophobicContact CZ3-CD2 4.27Å; W98-L101 PolarHBondContact O-N 3.32Å; W98-A102 VanDerWaalsContact O-CB 3.23Å; W98-A102 WeakPolarHBondContact O-CB 3.05Å; W98-A102 PolarHBondContact O-N 2.85Å
99R81.3Confident66.9Low120 Ų12095.9 Ų95.945%0.45353%0.532SS..Hα-helixtrans-62.8-39.4174.4-78.7173.8174.5153.1-10.5112.5K95 E96 F97 R103K95-R99 VanDerWaalsContact CE-NH2 3.35Å; K95-R99 WeakPolarHBondContact O-CB 3.47Å; K95-R99 VanDerWaalsContact O-CG 3.3Å; K95-R99 WeakPolarHBondContact O-CG 3.48Å; K95-R99 PolarHBondContact O-N 3.44Å; E96-R99 PolarHBondContact O-N 3.34Å; F97-R99 PolarHBondContact O-N 3.19Å; R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.16Å; R99-R103 VanDerWaalsContact O-N 3.11Å; R99-R103 PolarHBondContact O-NE 3.21Å; R99-R103 VanDerWaalsContact O-NE 3.16Å
100T75.3Confident67.1Low42 Ų42101 Ų10126%0.25853%0.531SS..Hα-helixtrans-73.2-39.7179-58.80000111.1P86 E96 F97 W98 R104P86-T100 HydrophobicContact CG-CG2 3.93Å; E96-T100 VanDerWaalsContact O-CB 3.3Å; E96-T100 WeakPolarHBondContact O-CB 3.23Å; E96-T100 PolarHBondContact O-N 2.69Å; E96-T100 PolarHBondContact O-OG1 3.27Å; F97-T100 PolarHBondContact O-N 3.48Å; W98-T100 VanDerWaalsContact C-N 3.34Å; W98-T100 PolarHBondContact O-N 3.29Å; T100-R104 PolarHBondContact O-N 2.8Å; T100-R104 VanDerWaalsContact O-N 3.07Å
101L75.3Confident67.8Low54 Ų54108.9 Ų108.928%0.28354%0.544SS..Hα-helixtrans-62.8-48174.5-163.3149.7000111F97 W98 R103 R104 H105F97-L101 HydrophobicContact CE1-CD1 3.97Å; F97-L101 HydrophobicContact CE2-CD1 4.15Å; F97-L101 HydrophobicContact CZ-CD1 3.53Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 PolarHBondContact O-N 3.15Å; W98-L101 HydrophobicContact CE3-CD1 4.39Å; W98-L101 HydrophobicContact CE3-CD2 4.34Å; W98-L101 HydrophobicContact CZ3-CD1 4.21Å; W98-L101 HydrophobicContact CZ3-CD2 4.27Å; W98-L101 PolarHBondContact O-N 3.32Å; L101-R103 PolarHBondContact O-N 3.15Å; L101-R104 PolarHBondContact O-N 2.89Å; L101-H105 WeakPolarHBondContact O-CB 3.36Å; L101-H105 PolarHBondContact O-CD2 3.19Å; L101-H105 VanDerWaalsContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 2.93Å
102A73Confident68.2Low51 Ų51107.4 Ų107.442%0.42153%0.529SS..Hα-helixtrans-57.4-51.2176.400000111.6W98 R104 H105 C106W98-A102 VanDerWaalsContact O-CB 3.23Å; W98-A102 WeakPolarHBondContact O-CB 3.05Å; W98-A102 PolarHBondContact O-N 2.85Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.47Å; A102-H105 CarbonylContact O-C 3.55Å; A102-H105 PolarHBondContact O-N 3.5Å; A102-C106 PolarHBondContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 3.29Å
103R74.6Confident68.2Low158 Ų158104.8 Ų104.860%0.59652%0.517SS*.Hα-helixtrans-59.2-38.5178.5-75.6179.8-69.8-150.14.7113.3R99 L101 H105R99-R103 WeakPolarHBondContact O-CG 3.36Å; R99-R103 PolarHBondContact O-N 3.16Å; R99-R103 VanDerWaalsContact O-N 3.11Å; R99-R103 PolarHBondContact O-NE 3.21Å; R99-R103 VanDerWaalsContact O-NE 3.16Å; L101-R103 PolarHBondContact O-N 3.15Å; R103-H105 VanDerWaalsContact C-N 3.33Å
104R68Low68.2Low128 Ų128108.4 Ų108.448%0.48354%0.536SS..Hα-helixtrans-72.7-25.9177.2-76.4-163161.5153.82.3113.4T100 L101 A102T100-R104 PolarHBondContact O-N 2.8Å; T100-R104 VanDerWaalsContact O-N 3.07Å; L101-R104 PolarHBondContact O-N 2.89Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 3.47Å
105H65.9Low67.9Low99 Ų99106.7 Ų106.746%0.45852%0.524SS..Hα-helixtrans-92.7-16.7178.2-80.3-74.9000114.1L101 A102 R103 D107 T108L101-H105 WeakPolarHBondContact O-CB 3.36Å; L101-H105 PolarHBondContact O-CD2 3.19Å; L101-H105 VanDerWaalsContact O-CD2 3.27Å; L101-H105 PolarHBondContact O-N 2.93Å; A102-H105 CarbonylContact O-C 3.55Å; A102-H105 PolarHBondContact O-N 3.5Å; R103-H105 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 3.48Å; H105-T108 WeakPolarHBondContact CA-OG1 3.46Å; H105-T108 PolarHBondContact O-N 3.17Å; H105-T108 VanDerWaalsContact O-N 3.17Å; H105-T108 PolarHBondContact O-OG1 3.07Å; H105-T108 VanDerWaalsContact O-OG1 3.07Å
106C58.6Low67.6Low98 Ų98108.9 Ų108.966%0.66253%0.529SS*.Hα-helixtrans-57.3-34.1171.5-70.20000112.2A102 T108A102-C106 PolarHBondContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 3.29Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.27Å
107D59.2Low67.6Low147 Ų147109.2 Ų109.279%0.78653%0.534SS*.THydrogen-bonded Turntrans-80.6-12-178.3-64.8-21.7000113.7H105 G109H105-D107 PolarHBondContact O-N 3.48Å; D107-G109 VanDerWaalsContact C-N 3.34Å; D107-G109 PolarHBondContact O-N 2.83Å
108T59.5Low67.3Low85 Ų85114.7 Ų114.752%0.52156%0.56SS.*THydrogen-bonded Turntrans-88.13.5-174.16.50000114.1H105 C106 R110H105-T108 WeakPolarHBondContact CA-OG1 3.46Å; H105-T108 PolarHBondContact O-N 3.17Å; H105-T108 VanDerWaalsContact O-N 3.17Å; H105-T108 PolarHBondContact O-OG1 3.07Å; H105-T108 VanDerWaalsContact O-OG1 3.07Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-T108 PolarHBondContact O-N 3.27Å; T108-R110 WeakPolarHBondContact O-CB 3.3Å; T108-R110 PolarHBondContact O-N 3.27Å
109G58.6Low67Low48 Ų48113.8 Ų113.850%0.49557%0.567SS.*  trans59.9-10.8173.400000116.2D107 W111 G112D107-G109 VanDerWaalsContact C-N 3.34Å; D107-G109 PolarHBondContact O-N 2.83Å; G109-W111 PolarHBondContact O-N 3.06Å; G109-G112 PolarHBondContact O-N 2.99Å
110R59.9Low66.6Low199 Ų199115.6 Ų115.675%0.75158%0.58SS**THydrogen-bonded Turntrans-77.7-6.2-165.8-166.3174.9-175.8-84.61.1113.7T108T108-R110 WeakPolarHBondContact O-CB 3.3Å; T108-R110 PolarHBondContact O-N 3.27Å
111W63.7Low66.6Low222 Ų222120.6 Ų120.684%0.84160%0.599SS**THydrogen-bonded Turntrans-125.91.7-178.4-69.450000111.4G109G109-W111 PolarHBondContact O-N 3.06Å
112G59.1Low66.7Low47 Ų47126.7 Ų126.749%0.48563%0.625SS.*SBendtrans-108.7108.9-175.300000111.3G109 D114G109-G112 PolarHBondContact O-N 2.99Å; G112-D114 PolarHBondContact O-N 2.84Å
113H59.9Low66.6Low138 Ų138126.9 Ų126.964%0.63963%0.632SS**SBendtrans777.5158.8-109.7-75.5000120.1G115H113-G115 PolarHBondContact O-N 3.36Å
114D65.2Low66.8Low148 Ų148125.6 Ų125.679%0.79164%0.644SS**SBendtrans-75.891.7173.6-64.5-26.4000110.7G112G112-D114 PolarHBondContact O-N 2.84Å
115G62.8Low66.7Low27 Ų27126.1 Ų126.128%0.27866%0.655SS.*SBendtrans112.5-6.5165.700000117.1H113 D117 E118 L119H113-G115 PolarHBondContact O-N 3.36Å; G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 2.85Å; G115-E118 WeakPolarHBondContact O-CB 3.3Å; G115-E118 PolarHBondContact O-N 3.49Å; G115-L119 WeakPolarHBondContact O-CD1 3.41Å; G115-L119 PolarHBondContact O-N 2.74Å
116W70.3Confident66.9Low180 Ų180126.9 Ų126.968%0.68267%0.669SS**Hα-helixtrans-63.2-37.8176.2-100.590.5000112.8E118 L119 Q120W116-E118 PolarHBondContact O-N 2.71Å; W116-L119 PolarHBondContact O-N 3.47Å; W116-Q120 PolarHBondContact O-N 3.05Å
117D73.6Confident67Low112 Ų112131.8 Ų131.860%0.59968%0.68SS**Hα-helixtrans-68.7-23173.9-70.4-25.7000112.5G115G115-D117 VanDerWaalsContact C-N 3.33Å; G115-D117 PolarHBondContact O-N 2.85Å
118E72Confident66.9Low144 Ų144134.4 Ų134.467%0.67368%0.684SS**Hα-helixtrans-81-32177.6-166.9147.1-14400111.7G115 W116 Q120 K121G115-E118 WeakPolarHBondContact O-CB 3.3Å; G115-E118 PolarHBondContact O-N 3.49Å; W116-E118 PolarHBondContact O-N 2.71Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.47Å; E118-K121 PolarHBondContact O-N 3.2Å
119L70.4Confident66.5Low142 Ų142141.6 Ų141.674%0.74370%0.702SS**Hα-helixtrans-69.6-19171.9-85.7136.6000114G115 W116 K121G115-L119 WeakPolarHBondContact O-CD1 3.41Å; G115-L119 PolarHBondContact O-N 2.74Å; W116-L119 PolarHBondContact O-N 3.47Å; L119-K121 VanDerWaalsContact C-N 3.35Å
120Q73.5Confident65.9Low158 Ų158144.7 Ų144.774%0.73872%0.716SS**THydrogen-bonded Turntrans-84.6-6.2174.6-67-138.1-18.200113.9W116 E118W116-Q120 PolarHBondContact O-N 3.05Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 3.47Å
121K75.7Confident65.4Low148 Ų148143.9 Ų143.964%0.64372%0.72SS**SBendtrans-85121.5173.3-63.3177.1-174174.20108.2E118 L119 G123E118-K121 PolarHBondContact O-N 3.2Å; L119-K121 VanDerWaalsContact C-N 3.35Å; K121-G123 PolarHBondContact O-N 3.11Å; K121-G123 VanDerWaalsContact O-N 3.13Å
122E76.8Confident64.5Low181 Ų181138.7 Ų138.785%0.84672%0.718SS**PPolyproline II helixtrans-54.4122.1171.4-65.3-166-179.800109
123G72.1Confident64Low55 Ų55144.6 Ų144.657%0.56774%0.737SS**PPolyproline II helixtrans-61.1157.6174.800000111K121 I125K121-G123 PolarHBondContact O-N 3.11Å; K121-G123 VanDerWaalsContact O-N 3.13Å; G123-I125 PolarHBondContact O-N 3.48Å
124P77.1Confident63.4Low131 Ų131144.8 Ų144.885%0.85174%0.743SS**PPolyproline II helixtrans-56.8123.8-179.320.7-30.3000111.2P126P124-P126 WeakPolarHBondContact O-CD 3.47Å
125I67.4Low62.5Low139 Ų139144 Ų14471%0.71374%0.738SS**PPolyproline II helixtrans-58.7120.1179.5-58.3166.4000108.7G123 F127G123-I125 PolarHBondContact O-N 3.48Å; I125-F127 PolarHBondContact O-N 3.3Å
126P68.7Low61.9Low115 Ų115151.8 Ų151.875%0.74777%0.77SS**PPolyproline II helixtrans-61.3128.1174.6-2031.5000110.3P124P124-P126 WeakPolarHBondContact O-CD 3.47Å
127F61.4Low60.7Low202 Ų202152.7 Ų152.789%0.88678%0.778SS**  trans-34.3131.1-179.8-70.8-96.7000115I125 R129I125-F127 PolarHBondContact O-N 3.3Å; F127-R129 PolarHBondContact O-N 3.07Å
128K57.6Low59.6Low201 Ų201152.5 Ų152.587%0.87479%0.786SS**  trans-65.3109.6168.1-65.9-161177.5-169.60109.5S130K128-S130 PolarHBondContact O-N 3.26Å
129R50.1Low58.4Low237 Ų237155.1 Ų155.189%0.89480%0.795SS**  trans-74.4117.3161.8-73.1-168.8-174.9106.30.3108.2F127F127-R129 PolarHBondContact O-N 3.07Å
130S47.1Very low57Low113 Ų113153.6 Ų153.679%0.7980%0.796SS**  trans-98.995.2171.528.80000106.8K128K128-S130 PolarHBondContact O-N 3.26Å
131E49Very low55.8Low181 Ų181152.8 Ų152.885%0.84680%0.802SS**  trans-139120.2165.5-67.7-174.8-162.300108.7
132S43.9Very low54.4Low113 Ų113152 Ų15279%0.7981%0.81SS**  trans-60.5127.617552.80000110.9
133I49.3Very low53Low172 Ų172149.1 Ų149.188%0.88281%0.806SS**  trans-135.2118.2153.1-100.2153.4000106.3
134D47.1Very low51.9Low142 Ų142151.2 Ų151.276%0.75981%0.812SS**  trans-57.9153176.2-79.2-60000112.5
135D46.2Very low50.8Low132 Ų132153.1 Ų153.171%0.70681%0.814SS**  trans52.893.1156.7-79.4-42.1000118.5
136M50.5Low50.2Low189 Ų189151.9 Ų151.993%0.93181%0.813SS**  -148.7105.1128.5-87.2-51.8136.500110S138M136-S138 PolarHBondContact O-N 2.82Å
137K44.3Very low49.8Very low200 Ų200152.1 Ų152.187%0.8781%0.814SS**  trans-8598-180-172.5178.6-174.4176.90109.7
138S51.8Low49.9Very low107 Ų107152.2 Ų152.275%0.74881%0.814SS**  trans-170.2122.715343.20000115.1M136M136-S138 PolarHBondContact O-N 2.82Å
139K46.7Very low50.2Low200 Ų200150.3 Ų150.387%0.8781%0.813SS**  trans65.8101.4149.8-111.789.5177.3-167.50118.8
140S41.1Very low51Low109 Ų109144.8 Ų144.876%0.76281%0.808SS**  trans-36.3124.1145.854.50000114.7
141V47.8Very low51.2Low142 Ų142149.6 Ų149.686%0.86181%0.81SS**  trans-155.6112.1134.1-175.50000107.9
142T46Very low51.5Low132 Ų132150 Ų15081%0.8181%0.812SS**  trans-128.7164.2154.544.40000106.5
143P48.1Very low51.3Low120 Ų120151.9 Ų151.978%0.77981%0.808SS**  cis-135-166-3.524.50.8000112.1
144S48.1Very low51.3Low98 Ų98149.2 Ų149.269%0.68580%0.8SS**  trans90.382.8154.3-1690000117.1
145I54.2Low51.3Low172 Ų172147.7 Ų147.788%0.88280%0.795SS**  trans-118.878.5157.2-56.3171000107
146T55.8Low51.3Low113 Ų113148.4 Ų148.469%0.69380%0.799SS**PPolyproline II helixtrans-88122.1156.646.70000107.8K148T146-K148 PolarHBondContact O-N 3.42Å
147P60.6Low50.9Low120 Ų120148.6 Ų148.678%0.77980%0.795SS**PPolyproline II helixtrans-65.9121176.226.3-31.7000109.9L149P147-L149 PolarHBondContact O-N 2.91Å
148K63.3Low51.1Low204 Ų204146.8 Ų146.889%0.88779%0.794SS**PPolyproline II helixtrans-66.4122.3171.9-98.6153.9174.6160.70109.5T146T146-K148 PolarHBondContact O-N 3.42Å
149L63.9Low50.8Low160 Ų160150.8 Ų150.884%0.83880%0.797SS**PPolyproline II helixtrans-62.7142.5165.9-75.1162.5000109.4P147 Y151P147-L149 PolarHBondContact O-N 2.91Å; L149-Y151 PolarHBondContact O-N 3.24Å
150P66.6Low50.6Low122 Ų122150.1 Ų150.179%0.79280%0.798SS**  trans-63.5111.2178.525-31.6000109.7Q152P150-Q152 PolarHBondContact O-N 3.03Å
151Y50.6Low50.8Low214 Ų214152.8 Ų152.884%0.83980%0.798SS**  trans-67.6114.4171.2-153.7-96000107.6L149 H153L149-Y151 PolarHBondContact O-N 3.24Å; Y151-H153 PolarHBondContact O-N 3.37Å
152Q55.3Low50.5Low189 Ų189153.3 Ų153.388%0.88379%0.791SS**  trans-68.2102.7168.6-78.4-165.5-4200108.4P150P150-Q152 PolarHBondContact O-N 3.03Å
153H40.6Very low50.1Low153 Ų153151.2 Ų151.271%0.70879%0.787SS**  trans-106.899.4167.1-164.9-37.6000108.3Y151Y151-H153 PolarHBondContact O-N 3.37Å
154T48.4Very low50.2Low116 Ų116151.3 Ų151.371%0.71279%0.785SS**  trans-148.997.7160.251.40000107.8
155V48.2Very low50.3Low110 Ų110152.6 Ų152.667%0.66779%0.789SS**  79.8114.6108.6-58.60000114.4
156D45.3Very low50Low146 Ų146154.5 Ų154.578%0.78179%0.791SS**  136.5104.2129.2-72.3-28.2000115.5
157K42.4Very low49.9Very low193 Ų193154.6 Ų154.684%0.83980%0.797SS**  trans-22.3131.2153.9-53.7176.8179.3-1680112.9
158L47.9Very low49.3Very low162 Ų162158.6 Ų158.685%0.84880%0.801SS**  175128.9123.9-92.3159.7000112
159K45.5Very low48.9Very low191 Ų191158 Ų15883%0.8380%0.799SS**  trans76.183.1151.9-84.7171.3169.4175.80120
160E42.4Very low48.3Very low187 Ų187159.9 Ų159.987%0.87480%0.8SS**  -31.8119121.4-172.7174.9-151.400113.9
161Q46.9Very low47.7Very low164 Ų164159.6 Ų159.677%0.76680%0.797SS**  trans-176.9110.4135.3-102.4-171.1-12.100107.4
162E40.1Very low47.8Very low153 Ų153158.6 Ų158.672%0.71580%0.797SS**  87.991.3107.2-155.2171.5-161.500109.8
163A39Very low47Very low89 Ų89157.3 Ų157.374%0.73679%0.79SS**  60.4147.493.300000113.2
164V50.2Low47.5Very low122 Ų122159 Ų15974%0.73980%0.796SS**  trans105.1107.6166-167.50000115.8
165T49.3Very low47.3Very low124 Ų124161.3 Ų161.376%0.76180%0.803SS**  trans92.893.3147.660.70000121.1
166K47.4Very low47.3Very low212 Ų212160.2 Ų160.292%0.92280%0.8SS**  trans-36.9128.6139.3-60.4172.4179.3172.20111.4
167S54.7Low47.2Very low116 Ų116162.6 Ų162.681%0.81181%0.807SS**  trans-132.3113.4151.855.70000110.6K169S167-K169 PolarHBondContact O-N 3.23Å
168K46.9Very low47.2Very low203 Ų203158.7 Ų158.788%0.88380%0.804SS**  trans-57.7121.5167.2-78.3166168.7167.40108.6
169K55.5Low47.4Very low191 Ų191161 Ų16183%0.8381%0.807SS**  trans-119.691.9156.5-147169.1-173.2171.50109.6S167 T171S167-K169 PolarHBondContact O-N 3.23Å; K169-T171 PolarHBondContact O-N 3.23Å
170K52.3Low47.6Very low200 Ų200157 Ų15787%0.8780%0.802SS**  trans-67.7115.9158.9-70.2-160173.3-171.40107
171T52.4Low48.1Very low117 Ų117158.1 Ų158.172%0.71881%0.805SS**  trans-129128165-39.80000109.8K169K169-T171 PolarHBondContact O-N 3.23Å
172K53.5Low48.4Very low192 Ų192158.6 Ų158.684%0.83581%0.807SS**  trans-61.1144.3-160.7-66.5170.8174.1178.60114.4K174K172-K174 PolarHBondContact O-N 3.44Å
173H39.3Very low48.9Very low163 Ų163160 Ų16076%0.75581%0.811SS**  trans-33128.4156.5-77.8-101000113.4
174K51.1Low49.4Very low189 Ų189163.3 Ų163.382%0.82281%0.81SS**  trans-127.979.1150.1-72.2-69.7-177.3175.10108.6K172 S176K172-K174 PolarHBondContact O-N 3.44Å; K174-S176 PolarHBondContact O-N 3.16Å
175L42.6Very low49.5Very low163 Ų163161 Ų16185%0.85380%0.804SS**  trans-75.592.9156.2-78159.5000107.2
176S49.3Very low49.7Very low88 Ų88163.9 Ų163.962%0.61581%0.806SS**  trans-153.1114.6166.9560000104.7K174K174-S176 PolarHBondContact O-N 3.16Å
177E43.7Very low50.1Low196 Ų196161.3 Ų161.392%0.91680%0.795SS**  -142.1115.957.8-80.7168.9115.200111.8
178S41Very low50.1Low111 Ų111165.5 Ų165.578%0.77679%0.793SS**  trans-83.2152.5152-71.20000109.2
179K52.5Low50.6Low210 Ų210164 Ų16491%0.91379%0.787SS**  trans9866164.1-52.8175.6-179.8172.60117.4
180S49.1Very low50.4Low106 Ų106158.1 Ų158.174%0.74177%0.773SS**SBendtrans-134.1-26.3157.8178.50000115.4Q182S180-Q182 PolarHBondContact O-N 3.46Å
181K53Low50.6Low212 Ų212156.4 Ų156.492%0.92277%0.766SS**THydrogen-bonded Turntrans-85.99.3-173.1-66.8-171.8177177.50117.1
182Q52.7Low50.7Low174 Ų174157 Ų15781%0.81376%0.764SS**THydrogen-bonded Turntrans-107.66.7-175-148.4176.5-3.900115.8S180S180-Q182 PolarHBondContact O-N 3.46Å
183K52.1Low50.8Low183 Ų183156.2 Ų156.280%0.79676%0.761SS**SBendtrans-95.4-13.2179.7-84.9-173.1176.1178.40116.2
184H48.2Very low51.6Low157 Ų157156.4 Ų156.473%0.72776%0.759SS**SBendtrans-94.2-18.2179.1-70.5-82000114.8
185A53.1Low51.8Low73 Ų73152.6 Ų152.660%0.60375%0.752SS**Hα-helixtrans-76.4-28.1179.200000113.8
186K54.2Low52.4Low185 Ų185153.3 Ų153.380%0.80475%0.748SS**Hα-helixtrans-80.2-21.4-179.4-124.1171.2-178.7176.70113.7
187K55.7Low52.5Low159 Ų159157.3 Ų157.369%0.69175%0.754SS**Hα-helixtrans-77.5-22.6179.2-118.3176.7-179.91780113.7
188R54.1Low52.9Low203 Ų203154.4 Ų154.477%0.76674%0.74SS**Hα-helixtrans-77.2-26.7176.9-65-176.187.3179.25113.1
189K56.7Low53.5Low173 Ų173157.6 Ų157.675%0.75274%0.74SS**Hα-helixtrans-78.5-21.2178.3-65-123.2178.61800114.1
190A52.2Low53.5Low66 Ų66156.1 Ų156.155%0.54573%0.734SS.*Hα-helixtrans-80.4-29.3176.300000113.6
191K55.9Low53.8Low164 Ų164155 Ų15571%0.71372%0.722SS**Hα-helixtrans-78.5-21.4177.6-66.7-162.6175-172.20113.5
192L54.4Low53.9Low131 Ų131150.1 Ų150.169%0.68671%0.706SS**Hα-helixtrans-77.3-21.2176.1-93.3142.8000114.3
193K55.9Low54.1Low175 Ų175150.4 Ų150.476%0.76171%0.705SS**Hα-helixtrans-85.5-21.6175.1-70.9-163.6176.7-174.80114.1
194K56.2Low54.2Low167 Ų167149.6 Ų149.673%0.72670%0.701SS**Hα-helixtrans-81.1-30.6175.4-77.5-170.2173.5-174.80113.5K196K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.27Å
195V55.6Low54.6Low109 Ų109150.1 Ų150.166%0.66170%0.702SS**Hα-helixtrans-73.6-23.3177.2-179.10000112.5
196K54.2Low54.7Low177 Ų177155.2 Ų155.277%0.7771%0.71SS**Hα-helixtrans-80.7-15.3179.8-144171.4-177.4176.20114.2K194K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.27Å
197K52.9Low54.8Low172 Ų172154.5 Ų154.575%0.74871%0.707SS**Hα-helixtrans-87-31.3177.8-110.2-175.9176.6-175.90113.7
198H52.2Low54.7Low135 Ų135152.9 Ų152.963%0.62571%0.706SS**Hα-helixtrans-80.2-19.3-179.9-74.1-79000114.5K200 T201H198-K200 VanDerWaalsContact C-N 3.31Å; H198-K200 PolarHBondContact O-N 3.47Å; H198-T201 PolarHBondContact O-OG1 2.93Å
199K52.3Low54.7Low178 Ų178151.5 Ų151.577%0.77471%0.705SS**Hα-helixtrans-75-15.9177.8-162.5156.9-179172.10114.2
200K54Low54.5Low180 Ų180152.5 Ų152.578%0.78371%0.71SS**Hα-helixtrans-89.9-21.5175.8-83.2-170.9174.2-174.50113.7H198H198-K200 VanDerWaalsContact C-N 3.31Å; H198-K200 PolarHBondContact O-N 3.47Å
201T55.1Low54.6Low82 Ų82158.6 Ų158.650%0.50372%0.724SS.*Hα-helixtrans-87.5-29.9-179.846.90000113.2H198 K204 K205H198-T201 PolarHBondContact O-OG1 2.93Å; T201-K204 PolarHBondContact O-N 3Å; T201-K205 PolarHBondContact O-N 3.06Å
202D53.8Low54.4Low109 Ų109155.1 Ų155.158%0.58372%0.72SS**Hα-helixtrans-75.8-27.2176.7-81.3-48.5000113.9K204 K205 K206D202-K204 VanDerWaalsContact C-N 3.28Å; D202-K204 PolarHBondContact O-N 2.85Å; D202-K205 PolarHBondContact O-N 3.43Å; D202-K206 PolarHBondContact O-N 3.48Å
203K56.5Low54.4Low180 Ų180158.2 Ų158.278%0.78373%0.728SS**Hα-helixtrans-72.5-20.8176.1-137.7177.2-177-177.60112.9
204K55.3Low54Low167 Ų167156.4 Ų156.473%0.72673%0.732SS**Hα-helixtrans-87-33.2175.2-154.2174.3-178-179.30112.2T201 D202T201-K204 PolarHBondContact O-N 3Å; D202-K204 VanDerWaalsContact C-N 3.28Å; D202-K204 PolarHBondContact O-N 2.85Å
205K55.9Low53.7Low168 Ų168154.8 Ų154.873%0.7374%0.736SS**Hα-helixtrans-73.1-28.4174.4-89.8-173.1174-176.70114.2T201 D202T201-K205 PolarHBondContact O-N 3.06Å; D202-K205 PolarHBondContact O-N 3.43Å
206K56.3Low53.5Low179 Ų179159.4 Ų159.478%0.77875%0.747SS**Hα-helixtrans-79-16.5178.5-146.5173.3-175.8177.90114.2D202D202-K206 PolarHBondContact O-N 3.48Å
207K54.9Low53.3Low170 Ų170162.6 Ų162.674%0.73975%0.754SS**Hα-helixtrans-85.9-22.6177.1-135.3-179.2-177.8-173.80113.5
208N53.9Low53.3Low126 Ų126165.9 Ų165.967%0.67476%0.762SS**Hα-helixtrans-93.1-13.8177.8-71.73000114.1
209K54.7Low53.4Low173 Ų173164.9 Ų164.975%0.75277%0.768SS**THydrogen-bonded Turntrans-86.3-4178.7-156.8168.5-178.91760114.3
210K52.9Low53.4Low195 Ų195162.3 Ų162.385%0.84877%0.769SS**THydrogen-bonded Turntrans-97.2-0.6175.2-91.6-169.5173.9-170.10114.3
211K53.2Low53.3Low193 Ų193160.4 Ų160.484%0.83977%0.772SS**SBendtrans-108.99.2-178.1-72.2-162.2173.4-167.70115.2
212S53.2Low52.7Low91 Ų91162.2 Ų162.264%0.63679%0.786SS**SBendtrans-132.928.5-171.972.60000114.7
213K52.9Low52.5Low197 Ų197162.2 Ų162.286%0.85779%0.794SS**  trans-12625.9-174.9-127.1-177.4-176.5-170.80115
214V47.9Very low52Low137 Ų137158.9 Ų158.983%0.8379%0.793SS**  trans-135.381.5174.8-177.50000108.4
215T50.3Low51.6Low133 Ų133155.7 Ų155.782%0.81679%0.792SS**  trans-172.789.3164.425.80000108
216K50.7Low51Low206 Ų206153 Ų15390%0.89680%0.795SS**  trans-179.264.6157.2-105179.1-171.4-172.90110
217R51.4Low50.4Low244 Ų244149.1 Ų149.192%0.92179%0.79SS**SBendtrans-149.7102.7158.6-76.9-157.7152.1-165.5-8.8110.3
218R51.9Low50.1Low240 Ų240146.4 Ų146.491%0.90679%0.793SS**  trans55.2131.5140.7-142.5168.3-176.4-164.10119
219P55.1Low49.6Very low115 Ų115145.1 Ų145.175%0.74779%0.794SS**  trans-77.4157.3-173.734-35.5000112.4
220P50.7Low49.2Very low124 Ų124142.1 Ų142.181%0.80579%0.794SS**  trans-93.8148.8-179.936.4-30.1000112.2
221T52Low49Very low139 Ų139138.8 Ų138.885%0.85380%0.796SS**  trans-115.1151.6160.548.60000109.7
222P44Very low48.6Very low120 Ų120135 Ų13578%0.77979%0.793SS**  trans-104.4151.8-150.637.5-29.7000113.5
223S48.3Very low48.5Very low110 Ų110137.7 Ų137.777%0.76981%0.806SS**  trans-154.9114.3160.8-400000110.5
224S46.8Very low48.2Very low109 Ų109133.6 Ų133.676%0.76280%0.802SS**  trans48.895.8133.8-35.40000118.1
225S46.7Very low48.1Very low100 Ų100132.1 Ų132.170%0.69980%0.798SS**  7511894.8630000116.4
226S43.9Very low48.1Very low112 Ų112131 Ų13178%0.78380%0.795SS**  trans64.8137.214551.30000118.8
227S43.9Very low48Very low98 Ų98126.1 Ų126.169%0.68579%0.787SS**  cis176.9149.4-1.632.90000106.3
228S47.3Very low47.9Very low113 Ų113120.3 Ų120.379%0.7978%0.784SS**  trans66.3141.1152.367.50000117.4
229S43.6Very low47.9Very low99 Ų99114.4 Ų114.469%0.69278%0.78SS**  cis-163.4145.512-28.60000109.2
230S47.5Very low48.1Very low110 Ų110114.7 Ų114.777%0.76979%0.785SS**  trans10.1131.1142.151.20000121.8
231S47.4Very low48.7Very low125 Ų125114.5 Ų114.587%0.87479%0.786SS**  -176.3130.4118.149.10000112.4
232S46Very low49.6Very low112 Ų112113.7 Ų113.778%0.78378%0.783SS**  trans-96.3141.5179.745.50000112
233T50.7Low50.7Low149 Ų149114 Ų11491%0.91479%0.786SS**  trans-154.2126.2148.542.40000111.7
234S45.4Very low51.3Low110 Ų110114.3 Ų114.377%0.76979%0.787SS**  trans-90148.7173.446.40000112.1
235S46.9Very low52.5Low107 Ų107115.1 Ų115.175%0.74879%0.79SS**  trans164.6115.8137.952.10000111.1
236S49.6Very low53.6Low108 Ų108114.7 Ų114.776%0.75579%0.793SS**  68.7138.411567.10000115.2
237S49.6Very low54.2Low104 Ų104115.6 Ų115.673%0.72780%0.796SS**  cis169.8137.812.6340000105.4
238S49.4Very low54.9Low122 Ų122116.3 Ų116.385%0.85380%0.801SS**  trans176.9131.2144.545.60000112.7
239S51.5Low54.8Low117 Ų117116.6 Ų116.682%0.81880%0.803SS**  trans-64.2143.6177.247.20000115.7
240S58.1Low55.4Low121 Ų121116.8 Ų116.885%0.84680%0.804SS**  trans-155.6122.7152.942.10000111
241S64.3Low55.3Low119 Ų119118.3 Ų118.383%0.83281%0.809SS**PPolyproline II helixtrans-73.1147.1-178.8-47.40000112.2
242P71.2Confident55.5Low123 Ų123117.2 Ų117.280%0.79980%0.801SS**PPolyproline II helixtrans-86.5153.8171.333.2-31.8000112.8
243P67.7Low55.4Low127 Ų127117.9 Ų117.983%0.82581%0.806SS**PPolyproline II helixtrans-86158-171.734.8-34.9000114.2
244S59.1Low55.4Low115 Ų115115.8 Ų115.880%0.80480%0.797SS**PPolyproline II helixtrans-68.4144.3174.5-54.80000113.2
245P73.8Confident55.4Low127 Ų127116.4 Ų116.483%0.82580%0.802SS**PPolyproline II helixtrans-83.3141.4172.531.5-31.3000112.9
246A69.2Low55.4Low91 Ų91116.8 Ų116.875%0.75280%0.803SS**PPolyproline II helixtrans-74.616017700000113.2
247P56.6Low55.3Low130 Ų130117.2 Ų117.284%0.84481%0.806SS**PPolyproline II helixtrans-80.2121.117931.7-31.5000111.2S249P247-S249 PolarHBondContact O-N 3.13Å
248S58.2Low55Low114 Ų114117.3 Ų117.380%0.79781%0.813SS**  trans-83.4112.7170.9520000110.6
249S45.4Very low55.1Low119 Ų119116.7 Ų116.783%0.83281%0.809SS**  trans-63.912716249.80000111P247P247-S249 PolarHBondContact O-N 3.13Å
250S56Low54.6Low102 Ų102116.8 Ų116.871%0.71381%0.809SS**  trans-137.897.9162.151.90000109.2
251T46.1Very low54.3Low142 Ų142116.3 Ų116.387%0.87181%0.806SS**  trans-54.1126.2157.935.90000109.9
252S50.1Low53.5Low103 Ų103116.4 Ų116.472%0.7281%0.807SS**  trans-139.197.7165.8-51.20000107.5S254S252-S254 PolarHBondContact O-N 3.44Å
253S45.4Very low52.6Low125 Ų125118 Ų11887%0.87481%0.807SS**  trans-60.9118.2167.745.50000110.3
254S50.7Low51.6Low105 Ų105115.1 Ų115.173%0.73480%0.8SS**  trans-143.2110.6158.644.30000109.8S252S252-S254 PolarHBondContact O-N 3.44Å
255S43.9Very low51.1Low123 Ų123115.9 Ų115.986%0.8680%0.801SS**  trans-47.5125169.2470000113.5
256C46.9Very low49.8Very low116 Ų116116.3 Ų116.378%0.78480%0.796SS**  trans-148.2105.5151.552.60000110.6
257S48.8Very low49Very low116 Ų116119.4 Ų119.481%0.81180%0.8SS**  trans26.699.6146.3-46.20000117.9S259S257-S259 PolarHBondContact O-N 2.71Å
258A41.8Very low48.8Very low107 Ų107121.5 Ų121.588%0.88480%0.798SS**  trans-68.6112.8158.700000109.4
259S52Low48.8Very low108 Ų108122.1 Ų122.176%0.75579%0.792SS**  trans-106.3106.5158.4-620000107.2S257 S261S257-S259 PolarHBondContact O-N 2.71Å; S259-S261 PolarHBondContact O-N 3.44Å
260S42.5Very low49.2Very low119 Ų119123.2 Ų123.283%0.83278%0.783SS**  trans-54119171.935.10000110.7
261S50.3Low49.6Very low111 Ų111129.5 Ų129.578%0.77679%0.792SS**  trans-12393160-58.70000106.1S259 I263S259-S261 PolarHBondContact O-N 3.44Å; S261-I263 PolarHBondContact O-N 3.35Å; S261-I263 VanDerWaalsContact O-N 3.09Å
262S47Very low50.2Low122 Ų122129.9 Ų129.985%0.85378%0.784SS**  trans-58.6105.2172-171.10000108.2
263I53.7Low50.6Low155 Ų155132.1 Ų132.180%0.79578%0.783SS**  trans-91.498.8166.1-172.4139.3000106.6S261 T265S261-I263 PolarHBondContact O-N 3.35Å; S261-I263 VanDerWaalsContact O-N 3.09Å; I263-T265 PolarHBondContact O-N 3.08Å
264G47.2Very low51.4Low67 Ų67134.1 Ų134.169%0.69178%0.782SS**  trans-59.9114.7173.900000109.5D266G264-D266 PolarHBondContact O-N 3.42Å
265T47.7Very low51.6Low132 Ų132137.2 Ų137.281%0.8178%0.783SS**  trans-87.78616149.30000106.9I263I263-T265 PolarHBondContact O-N 3.08Å
266D46Very low52.4Low135 Ų135137.5 Ų137.572%0.72278%0.779SS**  trans-158.991168.5-144.9-91.8000108.7G264G264-D266 PolarHBondContact O-N 3.42Å
267D53.1Low52.6Low156 Ų156145.1 Ų145.183%0.83480%0.799SS**  trans-134.275.2159.8-89.4-53.7000105.4I269D267-I269 PolarHBondContact O-N 3.03Å; D267-I269 VanDerWaalsContact O-N 3.11Å
268E51.4Low52.8Low175 Ų175146.6 Ų146.682%0.81880%0.798SS**  trans-59102.3153.5-95.3-152.2120.300107.7E270E268-E270 VanDerWaalsContact C-N 3.31Å; E268-E270 PolarHBondContact O-N 3.28Å; E268-E270 VanDerWaalsContact O-N 3.12Å
269I59.4Low53.3Low127 Ų127148.7 Ų148.765%0.65179%0.794SS**  trans-82.588.1167-61.5171.2000106.8D267 W271D267-I269 PolarHBondContact O-N 3.03Å; D267-I269 VanDerWaalsContact O-N 3.11Å; I269-W271 PolarHBondContact O-N 2.94Å
270E53.1Low53.4Low142 Ų142150.9 Ų150.966%0.66480%0.796SS**  trans-65.5103.3168.6-168.7-175.4178.100109.4E268 Q272E268-E270 VanDerWaalsContact C-N 3.31Å; E268-E270 PolarHBondContact O-N 3.28Å; E268-E270 VanDerWaalsContact O-N 3.12Å; E270-Q272 HydrophobicContact CG-CG 4.03Å; E270-Q272 PolarHBondContact O-N 3.18Å; E270-Q272 WeakPolarHBondContact OE1-CG 3.29Å; E270-Q272 PolarHBondContact OE1-NE2 3.19Å
271W64.9Low54Low234 Ų234152.8 Ų152.889%0.88679%0.794SS**  trans-81.588169.3-74.994000109.4I269I269-W271 PolarHBondContact O-N 2.94Å
272Q59Low54.3Low150 Ų150155.4 Ų155.470%0.70180%0.795SS**  trans-79.1125.6163.9-71.7-155.629.900110.9E270 L274E270-Q272 HydrophobicContact CG-CG 4.03Å; E270-Q272 PolarHBondContact O-N 3.18Å; E270-Q272 WeakPolarHBondContact OE1-CG 3.29Å; E270-Q272 PolarHBondContact OE1-NE2 3.19Å; Q272-L274 PolarHBondContact O-N 3.4Å
273E58.9Low54.8Low150 Ų150157.7 Ų157.770%0.70179%0.791SS**  trans-54.8122.7176.8-62.7-180139.100112.7K275E273-K275 PolarHBondContact O-N 3.04Å; E273-K275 IonicContact OE2-NZ 2.71Å; E273-K275 PolarHBondContact OE2-NZ 3.21Å
274L61.6Low54.8Low166 Ų166157.9 Ų157.987%0.86979%0.791SS**  trans-78.797.8156.8-111.498.9000109.1Q272 V276Q272-L274 PolarHBondContact O-N 3.4Å; L274-V276 PolarHBondContact O-N 3.39Å
275K54.1Low55.4Low170 Ų170164.8 Ų164.874%0.73980%0.799SS**  trans-74.1107.4160.9-83.7173.6172.792.20108.8E273E273-K275 PolarHBondContact O-N 3.04Å; E273-K275 IonicContact OE2-NZ 2.71Å; E273-K275 PolarHBondContact OE2-NZ 3.21Å
276V60.4Low56.1Low130 Ų130167.6 Ų167.679%0.78880%0.798SS**  trans-76.7121.8161.9175.80000107.7L274L274-V276 PolarHBondContact O-N 3.39Å
277K51Low57Low276 Ų276170.5 Ų170.5100%1.281%0.805SS**  trans-103.90154.2-95.8-178174.1175.40107.7

Retrieved 277 of 277 residues in 297.1 ms (Link to these results)