A0A5K4F4D7_SCHMA Loading...

Leucine-rich repeat flightless-interacting protein 2

AlphaFold DB , UniProt , Accession A0A5K4F4D7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M41.3Very low50.9Low244 Ų244149.8 Ų149.8100%1.20279%0.791SS**  095.10-70.3-160.4154.300108.6S3M1-S3 PolarHBondContact O-N 3.35Å
2A47.7Very low53.1Low101 Ų101143.8 Ų143.884%0.83577%0.77SS**  trans-80.9111.4173.800000107.3R4A2-R4 PolarHBondContact O-N 2.88Å
3S44.5Very low55.2Low122 Ų122141.5 Ų141.585%0.85376%0.758SS**  trans-62.7100.3176.5-153.30000108M1 H5M1-S3 PolarHBondContact O-N 3.35Å; S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 3.08Å
4R46.9Very low56.7Low237 Ų237142.3 Ų142.389%0.89476%0.757SS**  trans-68.198.3171.7-98.6-178.1174.8170.6-1.7106.6A2 V6A2-R4 PolarHBondContact O-N 2.88Å; R4-V6 PolarHBondContact O-N 3.42Å
5H48.9Very low58.5Low144 Ų144134.3 Ų134.367%0.66772%0.723SS**  trans-54.6103.1164.2-173.9-27.8000107.4S3 P7S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 3.08Å; H5-P7 WeakPolarHBondContact O-CD 3.1Å
6V48.5Very low59.9Low122 Ų122133.6 Ų133.674%0.73971%0.706SS**  trans-68.1117.9165.9-179.30000105.1R4R4-V6 PolarHBondContact O-N 3.42Å
7P50.9Low61.4Low104 Ų104128.6 Ų128.668%0.67569%0.689SS**  trans-63.3140.8-179.725.3-30000108.8H5 T9H5-P7 WeakPolarHBondContact O-CD 3.1Å; P7-T9 PolarHBondContact O-N 2.87Å
8Y50.8Low62.9Low204 Ų204124.5 Ų124.580%0.868%0.676SS**  trans-41126.1178.5-94.6-103.9000111.6D10Y8-D10 PolarHBondContact O-N 3.4Å; Y8-D10 VanDerWaalsContact O-N 3.11Å
9T58.1Low64.2Low122 Ų122123.9 Ų123.975%0.74867%0.668SS**  trans-7.899.3161.652.10000114.3P7 M11P7-T9 PolarHBondContact O-N 2.87Å; T9-M11 PolarHBondContact O-N 2.79Å
10D60.6Low65.4Low153 Ų153124.4 Ų124.482%0.81867%0.666SS**  trans-56.8110.7159.6-92-36.5000107.3Y8 S12Y8-D10 PolarHBondContact O-N 3.4Å; Y8-D10 VanDerWaalsContact O-N 3.11Å; D10-S12 PolarHBondContact O-N 3.1Å; D10-S12 VanDerWaalsContact O-N 3.08Å
11M61.7Low66.6Low95 Ų95122.2 Ų122.247%0.46866%0.657SS.*  trans-51.8118.9167.4-79-96.5-7300107.7T9 R16T9-M11 PolarHBondContact O-N 2.79Å; M11-R16 HydrophobicContact CB-CG 4.47Å; M11-R16 PolarHBondContact O-NH1 2.8Å
12S77.7Confident68.9Low77 Ų77115.5 Ų115.554%0.53862%0.622SS.*  trans-48.1148.3173.7174.80000110.1D10 M14 G15 R16D10-S12 PolarHBondContact O-N 3.1Å; D10-S12 VanDerWaalsContact O-N 3.08Å; S12-M14 PolarHBondContact O-N 3.46Å; S12-M14 PolarHBondContact OG-N 3.25Å; S12-G15 WeakPolarHBondContact O-CA 3.4Å; S12-G15 PolarHBondContact O-N 3.33Å; S12-R16 PolarHBondContact O-N 2.97Å; S12-R16 VanDerWaalsContact O-N 3.09Å
13D79.9Confident71.1Confident115 Ų115115.8 Ų115.862%0.61561%0.609SS**Hα-helixtrans-48.1-33.7172.7-72.1-46.4000112.5R16 A17D13-R16 PolarHBondContact O-N 3.4Å; D13-R16 IonicContact OD1-CZ 2.85Å; D13-R16 IonicContact OD1-NE 3.49Å; D13-R16 PolarHBondContact OD1-NE 3.49Å; D13-R16 IonicContact OD1-NH2 3.03Å; D13-R16 PolarHBondContact OD1-NH2 3.48Å; D13-A17 PolarHBondContact O-N 3.34Å
14M76.9Confident73.4Confident152 Ų152115.6 Ų115.675%0.74960%0.595SS**Hα-helixtrans-65.5-38175.1-158.6-165.8-48.100112.8S12 A18S12-M14 PolarHBondContact O-N 3.46Å; S12-M14 PolarHBondContact OG-N 3.25Å; M14-A18 WeakPolarHBondContact O-CB 3.43Å; M14-A18 PolarHBondContact O-N 3.47Å
15G83.1Confident75.4Confident23 Ų23110 Ų11024%0.23757%0.573CS.*Hα-helixtrans-69.3-38.2175.500000112.4S12 A18 Q19S12-G15 WeakPolarHBondContact O-CA 3.4Å; S12-G15 PolarHBondContact O-N 3.33Å; G15-A18 PolarHBondContact O-N 3.02Å; G15-Q19 PolarHBondContact O-N 3.13Å
16R81.6Confident77.5Confident122 Ų122105.1 Ų105.146%0.4656%0.559SS.*Hα-helixtrans-62.4-46.5172.9-72.7-170.2-83-104.17.2111.7M11 S12 D13 A18 Q19 E20M11-R16 HydrophobicContact CB-CG 4.47Å; M11-R16 PolarHBondContact O-NH1 2.8Å; S12-R16 PolarHBondContact O-N 2.97Å; S12-R16 VanDerWaalsContact O-N 3.09Å; D13-R16 PolarHBondContact O-N 3.4Å; D13-R16 IonicContact OD1-CZ 2.85Å; D13-R16 IonicContact OD1-NE 3.49Å; D13-R16 PolarHBondContact OD1-NE 3.49Å; D13-R16 IonicContact OD1-NH2 3.03Å; D13-R16 PolarHBondContact OD1-NH2 3.48Å; R16-A18 VanDerWaalsContact C-N 3.32Å; R16-A18 PolarHBondContact O-N 2.81Å; R16-Q19 PolarHBondContact O-N 3Å; R16-E20 PolarHBondContact O-N 2.94Å
17A85.6Confident79.7Confident50 Ų50101.4 Ų101.441%0.41354%0.54SS..Hα-helixtrans-63.3-36.8176.800000112.7D13 T21D13-A17 PolarHBondContact O-N 3.34Å; A17-T21 WeakPolarHBondContact O-CG2 3.36Å; A17-T21 PolarHBondContact O-N 3.46Å; A17-T21 PolarHBondContact O-OG1 3.34Å
18A87.6Confident81.7Confident54 Ų54100.7 Ų100.745%0.44653%0.531SS..Hα-helixtrans-64.9-40.8174.300000112M14 G15 R16 T21 E22M14-A18 WeakPolarHBondContact O-CB 3.43Å; M14-A18 PolarHBondContact O-N 3.47Å; G15-A18 PolarHBondContact O-N 3.02Å; R16-A18 VanDerWaalsContact C-N 3.32Å; R16-A18 PolarHBondContact O-N 2.81Å; A18-T21 WeakPolarHBondContact CA-OG1 3.45Å; A18-T21 PolarHBondContact O-N 3.16Å; A18-T21 PolarHBondContact O-OG1 2.73Å; A18-E22 PolarHBondContact O-N 3.17Å
19Q87.1Confident83.7Confident114 Ų11496.7 Ų96.753%0.53352%0.519SS..Hα-helixtrans-68.9-39.6177.7-166.3174.42.700112.1G15 R16 E22 I23G15-Q19 PolarHBondContact O-N 3.13Å; R16-Q19 PolarHBondContact O-N 3Å; Q19-E22 WeakPolarHBondContact O-CB 3.36Å; Q19-E22 PolarHBondContact O-N 2.74Å; Q19-I23 HydrophobicContact CG-CD1 4.4Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.31Å
20E88.6Confident85.4Confident133 Ų13397.3 Ų97.362%0.62151%0.514SS*.Hα-helixtrans-64.1-41.7175.6-171.3171.9-165.100111.8R16 E22 I23 Q24R16-E20 PolarHBondContact O-N 2.94Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.11Å; E20-I23 PolarHBondContact O-N 3.24Å; E20-Q24 PolarHBondContact O-N 3.49Å
21T90.6Very high86.9Confident78 Ų7895.3 Ų95.348%0.47950%0.503SS..Hα-helixtrans-68.1-29174.748.50000113.5A17 A18 R25A17-T21 WeakPolarHBondContact O-CG2 3.36Å; A17-T21 PolarHBondContact O-N 3.46Å; A17-T21 PolarHBondContact O-OG1 3.34Å; A18-T21 WeakPolarHBondContact CA-OG1 3.45Å; A18-T21 PolarHBondContact O-N 3.16Å; A18-T21 PolarHBondContact O-OG1 2.73Å; T21-R25 PolarHBondContact O-N 3.49Å; T21-R25 VanDerWaalsContact O-N 3.12Å; T21-R25 PolarHBondContact O-NE 2.72Å
22E89.3Confident88.4Confident103 Ų10396 Ų9648%0.48151%0.507SS..Hα-helixtrans-67.5-45.9171.1-16667.4-130.700111.3A18 Q19 E20 Q24 R25 A26A18-E22 PolarHBondContact O-N 3.17Å; Q19-E22 WeakPolarHBondContact O-CB 3.36Å; Q19-E22 PolarHBondContact O-N 2.74Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.11Å; E22-Q24 VanDerWaalsContact C-N 3.33Å; E22-Q24 PolarHBondContact O-N 3.04Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.88Å; E22-R25 IonicContact OE1-NH1 3.09Å; E22-R25 PolarHBondContact OE1-NH1 3.36Å; E22-R25 IonicContact OE2-CZ 3.65Å; E22-R25 IonicContact OE2-NH1 3.95Å; E22-R25 PolarHBondContact OE2-NH1 3.48Å; E22-R25 IonicContact OE2-NH2 3.6Å; E22-R25 PolarHBondContact OE2-NH2 2.97Å; E22-A26 PolarHBondContact O-N 3.49Å
23I93.5Very high89Confident108 Ų10897.3 Ų97.355%0.55451%0.505SS*.Hα-helixtrans-61-42.8176.6-67164.7000110.7Q19 E20 R25 A26 A27Q19-I23 HydrophobicContact CG-CD1 4.4Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.31Å; E20-I23 PolarHBondContact O-N 3.24Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.37Å; I23-A26 PolarHBondContact O-N 2.81Å; I23-A27 PolarHBondContact O-N 3.49Å
24Q93.7Very high89.7Confident118 Ų11897.5 Ų97.555%0.55150%0.502SS*.Hα-helixtrans-62.3-39.5176.7-153.380.717.900111.9E20 E22 N28E20-Q24 PolarHBondContact O-N 3.49Å; E22-Q24 VanDerWaalsContact C-N 3.33Å; E22-Q24 PolarHBondContact O-N 3.04Å; Q24-N28 PolarHBondContact O-N 2.98Å; Q24-N28 VanDerWaalsContact O-N 3.07Å
25R89.7Confident90.5Very high118 Ų11892.2 Ų92.245%0.44549%0.486SS..Hα-helixtrans-65.7-43175.4-88.7-175.8-77.3115.8-1.9111.8T21 E22 I23 N28 Q29T21-R25 PolarHBondContact O-N 3.49Å; T21-R25 VanDerWaalsContact O-N 3.12Å; T21-R25 PolarHBondContact O-NE 2.72Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.88Å; E22-R25 IonicContact OE1-NH1 3.09Å; E22-R25 PolarHBondContact OE1-NH1 3.36Å; E22-R25 IonicContact OE2-CZ 3.65Å; E22-R25 IonicContact OE2-NH1 3.95Å; E22-R25 PolarHBondContact OE2-NH1 3.48Å; E22-R25 IonicContact OE2-NH2 3.6Å; E22-R25 PolarHBondContact OE2-NH2 2.97Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.37Å; R25-N28 PolarHBondContact O-N 2.97Å; R25-Q29 WeakPolarHBondContact O-CG 3.42Å; R25-Q29 PolarHBondContact O-N 3.37Å
26A92.6Very high91Very high43 Ų4398.7 Ų98.736%0.35550%0.503SS..Hα-helixtrans-63.2-42176.800000112.1E22 I23 Q29 Q30E22-A26 PolarHBondContact O-N 3.49Å; I23-A26 PolarHBondContact O-N 2.81Å; A26-Q29 PolarHBondContact O-N 2.85Å; A26-Q30 PolarHBondContact O-N 3.15Å
27A93.2Very high91.7Very high43 Ų4397.6 Ų97.636%0.35551%0.51SS..Hα-helixtrans-63.7-42.5176.200000112.5I23 Q29 Q30 L31I23-A27 PolarHBondContact O-N 3.49Å; A27-Q29 VanDerWaalsContact C-N 3.35Å; A27-Q29 PolarHBondContact O-N 3.18Å; A27-Q30 PolarHBondContact O-N 2.92Å; A27-L31 PolarHBondContact O-N 3.46Å; A27-L31 VanDerWaalsContact O-N 3.1Å
28N92.9Very high91.9Very high90 Ų9099.8 Ų99.848%0.48151%0.514SS..Hα-helixtrans-64.8-37.2174.6-85.1-12.8000112.4Q24 R25 L31 I32Q24-N28 PolarHBondContact O-N 2.98Å; Q24-N28 VanDerWaalsContact O-N 3.07Å; R25-N28 PolarHBondContact O-N 2.97Å; N28-L31 PolarHBondContact O-N 2.96Å; N28-I32 WeakPolarHBondContact O-CD1 3.45Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.24Å; N28-I32 PolarHBondContact O-N 3.12Å; N28-I32 VanDerWaalsContact O-N 3.11Å
29Q93.7Very high92.1Very high119 Ų119104.4 Ų104.456%0.55652%0.524SS*.Hα-helixtrans-63.6-43.9174.8-76176.2-2.700111.9R25 A26 A27 L31 I32 E33R25-Q29 WeakPolarHBondContact O-CG 3.42Å; R25-Q29 PolarHBondContact O-N 3.37Å; A26-Q29 PolarHBondContact O-N 2.85Å; A27-Q29 VanDerWaalsContact C-N 3.35Å; A27-Q29 PolarHBondContact O-N 3.18Å; Q29-L31 PolarHBondContact O-N 3.49Å; Q29-I32 PolarHBondContact O-N 3Å; Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å
30Q93.3Very high92.3Very high136 Ų136105.1 Ų105.164%0.63653%0.527SS*.Hα-helixtrans-60.7-42.8176-76.7-176.8-7.100112.5A26 A27 I32 E33 E34A26-Q30 PolarHBondContact O-N 3.15Å; A27-Q30 PolarHBondContact O-N 2.92Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 3.35Å; Q30-E33 PolarHBondContact O-N 2.94Å; Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.26Å
31L92.5Very high92.6Very high111 Ų111106.4 Ų106.458%0.58153%0.531SS*.Hα-helixtrans-62.2-37.9176-76.7171000112.5A27 N28 Q29 G35A27-L31 PolarHBondContact O-N 3.46Å; A27-L31 VanDerWaalsContact O-N 3.1Å; N28-L31 PolarHBondContact O-N 2.96Å; Q29-L31 PolarHBondContact O-N 3.49Å; L31-G35 PolarHBondContact O-N 3.32Å
32I92.7Very high92.6Very high110 Ų110108.5 Ų108.556%0.56454%0.535SS*.Hα-helixtrans-69.1-41176.7-68165.3000110.9N28 Q29 Q30 R36N28-I32 WeakPolarHBondContact O-CD1 3.45Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.24Å; N28-I32 PolarHBondContact O-N 3.12Å; N28-I32 VanDerWaalsContact O-N 3.11Å; Q29-I32 PolarHBondContact O-N 3Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 3.35Å; I32-R36 WeakPolarHBondContact O-CB 3.32Å; I32-R36 PolarHBondContact O-N 3.24Å
33E91.6Very high92.5Very high104 Ų104108.9 Ų108.949%0.48654%0.54SS..Hα-helixtrans-64.4-45.3175.8-74.2174.6-17900112Q29 Q30 G35 R36 V37Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å; Q30-E33 PolarHBondContact O-N 2.94Å; E33-G35 PolarHBondContact O-N 3.47Å; E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.87Å; E33-V37 WeakPolarHBondContact O-CG2 3.4Å; E33-V37 PolarHBondContact O-N 2.84Å
34E93.4Very high92.2Very high119 Ų119106.9 Ų106.956%0.55653%0.528SS*.Hα-helixtrans-61.5-44.5176-169.8179.3178.900111.4Q30 R36 V37 I38Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.26Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.18Å; E34-V37 PolarHBondContact O-N 3.28Å; E34-I38 HydrophobicContact CG-CD1 4.16Å; E34-I38 WeakPolarHBondContact O-CG1 3.34Å; E34-I38 PolarHBondContact O-N 3.38Å
35G94.1Very high92Very high40 Ų40107 Ų10741%0.41253%0.526SS..Hα-helixtrans-59.8-37.3174.900000113.1L31 E33 K39L31-G35 PolarHBondContact O-N 3.32Å; E33-G35 PolarHBondContact O-N 3.47Å; G35-K39 PolarHBondContact O-N 3.47Å
36R94.4Very high91.7Very high159 Ų159105.7 Ų105.760%0.653%0.526SS*.Hα-helixtrans-68.3-43176.2-161.6-171-32.4-17511.9111.9I32 E33 E34 I38 K39 H40I32-R36 WeakPolarHBondContact O-CB 3.32Å; I32-R36 PolarHBondContact O-N 3.24Å; E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.87Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.18Å; R36-I38 VanDerWaalsContact C-N 3.33Å; R36-I38 PolarHBondContact O-N 3.43Å; R36-K39 PolarHBondContact O-N 2.93Å; R36-H40 WeakPolarHBondContact O-CB 3.28Å; R36-H40 PolarHBondContact O-N 2.82Å
37V95Very high91.3Very high100 Ų100109.5 Ų109.561%0.60653%0.532SS*.Hα-helixtrans-62.2-41.8176.6171.70000110.7E33 E34 H40 K41E33-V37 WeakPolarHBondContact O-CG2 3.4Å; E33-V37 PolarHBondContact O-N 2.84Å; E34-V37 PolarHBondContact O-N 3.28Å; V37-H40 PolarHBondContact O-N 2.94Å; V37-K41 VanDerWaalsContact O-CB 3.3Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 PolarHBondContact O-N 3.07Å
38I91.3Very high90.6Very high95 Ų95114.3 Ų114.349%0.48754%0.541SS..Hα-helixtrans-63.4-49176.7-67.1166.1000110.8E34 R36 H40 K41 E42E34-I38 HydrophobicContact CG-CD1 4.16Å; E34-I38 WeakPolarHBondContact O-CG1 3.34Å; E34-I38 PolarHBondContact O-N 3.38Å; R36-I38 VanDerWaalsContact C-N 3.33Å; R36-I38 PolarHBondContact O-N 3.43Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 2.79Å; I38-K41 WeakPolarHBondContact O-CB 3.33Å; I38-K41 PolarHBondContact O-N 2.92Å; I38-K41 VanDerWaalsContact O-N 3.15Å; I38-E42 PolarHBondContact O-N 3.38Å
39K91.3Very high89.7Confident151 Ų151114.3 Ų114.366%0.65754%0.538SS*.Hα-helixtrans-60.2-42.4178-174.6-176.5174.7-172.50111.9G35 R36 K41 E42 L43G35-K39 PolarHBondContact O-N 3.47Å; R36-K39 PolarHBondContact O-N 2.93Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-E42 PolarHBondContact O-N 2.94Å; K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 PolarHBondContact O-N 3.43Å
40H91.7Very high88.6Confident129 Ų129114.2 Ų114.260%0.59754%0.537SS*.Hα-helixtrans-65.3-38.3177.1-167-65.4000111.6R36 V37 I38 E44R36-H40 WeakPolarHBondContact O-CB 3.28Å; R36-H40 PolarHBondContact O-N 2.82Å; V37-H40 PolarHBondContact O-N 2.94Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 2.79Å; H40-E44 WeakPolarHBondContact O-CB 3.49Å; H40-E44 PolarHBondContact O-N 3.47Å
41K94.3Very high87.5Confident161 Ų161112.5 Ų112.570%0.753%0.529SS*.Hα-helixtrans-66.9-36.7176-169.8177.8-177.9-179.70112.4V37 I38 K39 K45V37-K41 VanDerWaalsContact O-CB 3.3Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 PolarHBondContact O-N 3.07Å; I38-K41 WeakPolarHBondContact O-CB 3.33Å; I38-K41 PolarHBondContact O-N 2.92Å; I38-K41 VanDerWaalsContact O-N 3.15Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K41-K45 PolarHBondContact O-N 2.85Å
42E90.6Very high86.3Confident121 Ų121113.5 Ų113.557%0.56554%0.535SS*.Hα-helixtrans-65.8-47.1174.5-167.497.5-14500111.5I38 K39 E44 K45 M46I38-E42 PolarHBondContact O-N 3.38Å; K39-E42 PolarHBondContact O-N 2.94Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.23Å; E42-K45 WeakPolarHBondContact O-CB 3.26Å; E42-K45 PolarHBondContact O-N 2.87Å; E42-M46 PolarHBondContact O-N 2.98Å
43L86.1Confident84.8Confident112 Ų112116.2 Ų116.259%0.58654%0.543SS*.Hα-helixtrans-60.3-42.4176-81.6166000112K39 K45 M46 R47K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 PolarHBondContact O-N 3.43Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 3.36Å; L43-R47 PolarHBondContact O-N 3.46Å
44E88.6Confident83Confident65 Ų65117.8 Ų117.830%0.30456%0.555SS.*Hα-helixtrans-65.8-35.1177.2-172.860.4-155.200112.2H40 E42 R48H40-E44 WeakPolarHBondContact O-CB 3.49Å; H40-E44 PolarHBondContact O-N 3.47Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.23Å; E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 2.9Å
45K88.9Confident80.7Confident120 Ų120120.1 Ų120.152%0.52257%0.571SS.*Hα-helixtrans-65.2-44.7174.6-173-172.2172.8-149.40111.2K41 E42 L43 R48 E49K41-K45 PolarHBondContact O-N 2.85Å; E42-K45 WeakPolarHBondContact O-CB 3.26Å; E42-K45 PolarHBondContact O-N 2.87Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.24Å; K45-R48 PolarHBondContact O-N 3.46Å; K45-E49 VanDerWaalsContact CE-OE1 3.22Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.75Å; K45-E49 WeakPolarHBondContact O-CG 3.28Å; K45-E49 PolarHBondContact O-N 2.93Å
46M84.3Confident78.3Confident91 Ų91123 Ų12345%0.44859%0.585SS.*Hα-helixtrans-61.9-45176.5-72.3-61.8-58.900111.9E42 L43 R48 E49 E50E42-M46 PolarHBondContact O-N 2.98Å; L43-M46 PolarHBondContact O-N 3.36Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 3.16Å; M46-E49 PolarHBondContact O-N 3.37Å; M46-E49 VanDerWaalsContact O-N 3.13Å; M46-E50 PolarHBondContact O-N 2.92Å
47R82.9Confident75.8Confident123 Ų123121.1 Ų121.146%0.46460%0.596SS.*Hα-helixtrans-59-42.1176.9-172.2-178.8177.7-71-16111.9L43 E49 E50 E51L43-R47 PolarHBondContact O-N 3.46Å; R47-E49 VanDerWaalsContact C-N 3.35Å; R47-E50 PolarHBondContact O-N 2.99Å; R47-E51 IonicContact CZ-OE1 2.78Å; R47-E51 VanDerWaalsContact NH1-CD 3.27Å; R47-E51 IonicContact NH1-OE1 2.83Å; R47-E51 PolarHBondContact NH1-OE1 2.95Å; R47-E51 IonicContact NH1-OE2 2.71Å; R47-E51 PolarHBondContact NH1-OE2 3.12Å; R47-E51 IonicContact NH2-OE1 3.29Å; R47-E51 PolarHBondContact NH2-OE1 2.87Å; R47-E51 PolarHBondContact O-N 3.46Å
48R78.4Confident72.9Confident144 Ų144122 Ų12254%0.54361%0.606SS.*Hα-helixtrans-70.5-29.3177.8-162.6179.4-90.8122.5-3.3112.5E44 K45 M46 N52E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 2.9Å; K45-R48 PolarHBondContact O-N 3.46Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 3.16Å; R48-N52 PolarHBondContact O-N 3.39Å; R48-N52 PolarHBondContact O-ND2 3.4Å
49E75.6Confident70.3Confident90 Ų90126.5 Ų126.542%0.42163%0.626SS.*Hα-helixtrans-73.2-31.1172.2-74.8177.8-166.600112.8K45 M46 R47K45-E49 VanDerWaalsContact CE-OE1 3.22Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.75Å; K45-E49 WeakPolarHBondContact O-CG 3.28Å; K45-E49 PolarHBondContact O-N 2.93Å; M46-E49 PolarHBondContact O-N 3.37Å; M46-E49 VanDerWaalsContact O-N 3.13Å; R47-E49 VanDerWaalsContact C-N 3.35Å
50E69.9Low67.7Low117 Ų117129.8 Ų129.855%0.54763%0.634SS.*Hα-helixtrans-73.6-45.5173.3-74.4178.1169.200112.1M46 R47 N52 K53M46-E50 PolarHBondContact O-N 2.92Å; R47-E50 PolarHBondContact O-N 2.99Å; E50-N52 PolarHBondContact O-N 3.15Å; E50-K53 PolarHBondContact O-N 3.35Å
51E70.9Confident65.4Low101 Ų101129.6 Ų129.647%0.47264%0.644SS.*Hα-helixtrans-59-30.9177.3-78.5-178.7158.500112.7R47 K53R47-E51 IonicContact CZ-OE1 2.78Å; R47-E51 VanDerWaalsContact NH1-CD 3.27Å; R47-E51 IonicContact NH1-OE1 2.83Å; R47-E51 PolarHBondContact NH1-OE1 2.95Å; R47-E51 IonicContact NH1-OE2 2.71Å; R47-E51 PolarHBondContact NH1-OE2 3.12Å; R47-E51 IonicContact NH2-OE1 3.29Å; R47-E51 PolarHBondContact NH2-OE1 2.87Å; R47-E51 PolarHBondContact O-N 3.46Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.87Å
52N65.9Low62.4Low132 Ų132128.6 Ų128.671%0.70665%0.646SS**THydrogen-bonded Turntrans-74.6-11.5176.1-73.9-36.7000114R48 E50R48-N52 PolarHBondContact O-N 3.39Å; R48-N52 PolarHBondContact O-ND2 3.4Å; E50-N52 PolarHBondContact O-N 3.15Å
53K61.4Low60.1Low167 Ų167129.5 Ų129.573%0.72666%0.66SS**THydrogen-bonded Turntrans-95.7-24-179.7-83.8175.8178.71670113.9E50 E51 D55E50-K53 PolarHBondContact O-N 3.35Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.87Å; K53-D55 PolarHBondContact O-N 3.4Å
54D54.3Low57.7Low137 Ų137132.1 Ų132.173%0.73367%0.673SS**  trans-89.12.5-166.6-75.6-17.2000115.2S56D54-S56 PolarHBondContact O-N 3.24Å
55D44.1Very low55.3Low167 Ų167135 Ų13589%0.89369%0.689SS**SBendtrans-77.218.1179.8-135.710.1000114.2K53K53-D55 PolarHBondContact O-N 3.4Å
56S43.5Very low52.7Low100 Ų100139.4 Ų139.470%0.69971%0.708SS**SBendtrans-142.167.7-176.6-179.70000112.6D54D54-S56 PolarHBondContact O-N 3.24Å
57S42.6Very low50.5Low121 Ų121140.4 Ų140.485%0.84672%0.719SS**  trans178.898.6139.139.60000112.2
58S33.4Very low48.4Very low117 Ų117142.3 Ų142.382%0.81874%0.738SS**  trans-80.9132160.5-59.20000109.6
59E38.1Very low46.4Very low191 Ų191142.3 Ų142.389%0.89375%0.749SS**  156.7114.9126.2-85.4-175.8173.900111.5
60R35.8Very low44.7Very low220 Ų220141.5 Ų141.583%0.8377%0.765SS**  trans-77.2149.8169-69.7174.5163.6-151.7-1.8110.3
61P43.4Very low43.4Very low124 Ų124141.7 Ų141.781%0.80578%0.779SS**  trans-139.6131.9132.927.4-9000114
62D32.3Very low41.8Very low141 Ų141143.6 Ų143.675%0.75480%0.798SS**  trans-73.6127172.9-65.1-54.9000111.8
63V41.5Very low40.7Very low139 Ų139143 Ų14384%0.84280%0.804SS**  trans-144.2130.5156-176.40000111.2
64I35.2Very low39.7Very low168 Ų168146 Ų14686%0.86281%0.811SS**  trans-71.9144.6-167.2-67.6162.3000113.7
65I38.7Very low39Very low125 Ų125147.5 Ų147.564%0.64182%0.818SS**  trans-92.1136.9-163.1-61.4163.9000111.7V67I65-V67 HydrophobicContact CG2-CG2 4.11Å
66K34.9Very low38.7Very low213 Ų213145.6 Ų145.693%0.92682%0.818SS**  trans-134.6119.6154.8-148.6172.2-173.3176.50110.8
67V38.1Very low38.2Very low112 Ų112145.7 Ų145.768%0.67982%0.819SS**  trans-87.9137.6-165.3-134.70000110.5I65I65-V67 HydrophobicContact CG2-CG2 4.11Å
68N39.2Very low38Very low163 Ų163148.3 Ų148.387%0.87282%0.818SS**  trans-154.9131.6143.2-163.230000111.7
69N36.2Very low38.4Very low144 Ų144154.4 Ų154.477%0.7782%0.823SS**  trans-78.2140.4-166.3-68-3.8000113
70G38.4Very low38.4Very low73 Ų73151.2 Ų151.275%0.75382%0.821SS**  trans-157.379.2174.800000113.2
71S42.8Very low38.8Very low121 Ų121146.7 Ų146.785%0.84682%0.823SS**  trans43.9107.9144.6-580000120.3
72T37.5Very low38.7Very low140 Ų140144.8 Ų144.886%0.85982%0.818SS**  trans-52.4125.5157.5560000113.4
73S42.7Very low38.8Very low121 Ų121145.4 Ų145.485%0.84682%0.821SS**  trans-132.7124.5155.262.60000110.4
74R41.3Very low38.8Very low230 Ų230146.6 Ų146.687%0.86882%0.822SS**  trans-74.7137-171.3-64.3167.2172171-5.1111.1
75L38.4Very low38.9Very low167 Ų167142.9 Ų142.987%0.87482%0.817SS**  trans42.9100.3133.9-53.5170.7000117.5
76S39Very low38.9Very low127 Ų127141.3 Ų141.389%0.88882%0.816SS**  trans-146.896.3134.277.30000108.7
77S33.6Very low38.8Very low103 Ų103135.5 Ų135.572%0.7280%0.803SS**  trans-92.1146.3176.9-161.70000109.4
78Q36.6Very low39.2Very low176 Ų176136.8 Ų136.882%0.82280%0.804SS**  trans74.696.1165.2-52-178.1-0.500116.8
79R42.1Very low39.3Very low245 Ų245134.4 Ų134.493%0.92580%0.801SS**  trans175.991.8134.5-96.8170123.9-142-7.7110.7
80S39.5Very low39.9Very low123 Ų123131.8 Ų131.886%0.8679%0.794SS**  trans166.398.1147.539.50000109.1
81S42.7Very low40.5Very low126 Ų126138.7 Ų138.788%0.88180%0.797SS**  trans-152.758.7168.966.60000110.2
82A41.4Very low41Very low83 Ų83139.9 Ų139.969%0.68679%0.794SS**SBendtrans-147.9140.415600000104.3
83D34.2Very low41.9Very low154 Ų154137.3 Ų137.382%0.82477%0.774SS**  trans89.359.3-179.1-46.7-32000117.1
84L41.7Very low42.5Very low165 Ų165136.2 Ų136.286%0.86476%0.759SS**  trans-137.864.3143.5-80.2179000109.8S86L84-S86 VanDerWaalsContact C-N 3.3Å
85A38.2Very low43.9Very low90 Ų90127.7 Ų127.774%0.74474%0.738SS**  trans-9219.9165.700000112.6S87A85-S87 PolarHBondContact O-N 3.44Å; A85-S87 PolarHBondContact O-OG 2.89Å
86S38.7Very low45.8Very low91 Ų91128.9 Ų128.964%0.63673%0.731SS**  trans-87.681164.663.90000108.7L84L84-S86 VanDerWaalsContact C-N 3.3Å
87S32.9Very low47.9Very low92 Ų92127.7 Ų127.764%0.64371%0.711SS**  50.599.784.7-66.30000113.7A85A85-S87 PolarHBondContact O-N 3.44Å; A85-S87 PolarHBondContact O-OG 2.89Å
88I45.5Very low50.3Low139 Ų139127.2 Ų127.271%0.71370%0.7SS**SBend109.7-18.4124.2-64.3163.1000119.3
89S42Very low52.6Low113 Ų113126.6 Ų126.679%0.7969%0.69SS**SBendtrans-116.6-17.5-172.4-1510000118.5R91S89-R91 PolarHBondContact O-N 2.85Å
90S48.8Very low54.7Low89 Ų89117.1 Ų117.162%0.62266%0.664SS**  trans-96.329.8-177.328.70000114.3N92 L93S90-N92 PolarHBondContact O-N 3.05Å; S90-L93 PolarHBondContact O-N 3.03Å
91R50.6Low57Low217 Ų217114.9 Ų114.982%0.81964%0.64SS**THydrogen-bonded Turntrans-64.30.8169.8-70.6-172.6-175.6165.72.7114S89S89-R91 PolarHBondContact O-N 2.85Å
92N52.7Low59.1Low146 Ų146113 Ų11378%0.78162%0.62SS**THydrogen-bonded Turntrans-115.428.1174.7-60.4-25.8000112.6S90 D94S90-N92 PolarHBondContact O-N 3.05Å; N92-D94 PolarHBondContact O-N 3.36Å
93L56.9Low61.5Low86 Ų86114 Ų11445%0.4561%0.613SS.*SBendtrans-61.197.3142-89.782.1000104.1S90 A95S90-L93 PolarHBondContact O-N 3.03Å; L93-A95 PolarHBondContact O-N 3.48Å
94D56.6Low64.2Low99 Ų99111.7 Ų111.753%0.52960%0.598SS.*  trans-50.7137.1-169.7-158.9-0.9000107.1N92 R96 E97 L98N92-D94 PolarHBondContact O-N 3.36Å; D94-R96 HydrophobicContact CB-CB 4.29Å; D94-R96 CarbonylContact O-C 3.48Å; D94-R96 PolarHBondContact O-N 2.74Å; D94-E97 HydrophobicContact CB-CB 4.45Å; D94-E97 WeakPolarHBondContact O-CA 3.26Å; D94-E97 PolarHBondContact O-N 3.32Å; D94-L98 PolarHBondContact O-N 3.08Å; D94-L98 VanDerWaalsContact O-N 3.09Å
95A70.9Confident66.6Low51 Ų51108.6 Ų108.642%0.42158%0.581SS.*Hα-helixtrans-53.2-21.6177.900000110.8L93 R99L93-A95 PolarHBondContact O-N 3.48Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.26Å; A95-R99 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-N 3.14Å; A95-R99 PolarHBondContact O-NH1 2.94Å
96R78.4Confident69.2Low192 Ų192110.5 Ų110.573%0.72558%0.575SS**Hα-helixtrans-67.1-44.9168.9-168.2175.6-175.2168.31.3114.6D94 R99 A100D94-R96 HydrophobicContact CB-CB 4.29Å; D94-R96 CarbonylContact O-C 3.48Å; D94-R96 PolarHBondContact O-N 2.74Å; R96-R99 PolarHBondContact O-N 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.4Å; R96-A100 PolarHBondContact O-N 2.98Å
97E82.7Confident71.7Confident101 Ų101112.6 Ų112.647%0.47258%0.575SS.*Hα-helixtrans-69.8-41.6178.2-168.9176.9-175.100111.2D94 R99 A100 Q101D94-E97 HydrophobicContact CB-CB 4.45Å; D94-E97 WeakPolarHBondContact O-CA 3.26Å; D94-E97 PolarHBondContact O-N 3.32Å; E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 3.03Å; E97-A100 WeakPolarHBondContact O-CB 3.48Å; E97-A100 PolarHBondContact O-N 3.38Å; E97-A100 VanDerWaalsContact O-N 3.12Å; E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.36Å
98L82.5Confident74.7Confident94 Ų94114.8 Ų114.849%0.49257%0.572SS.*Hα-helixtrans-62.2-40.3173.6-170.367.5000111.3D94 Q101 L102D94-L98 PolarHBondContact O-N 3.08Å; D94-L98 VanDerWaalsContact O-N 3.09Å; L98-Q101 PolarHBondContact O-N 3.09Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.85Å
99R85Confident77Confident162 Ų162112.7 Ų112.761%0.61157%0.566SS**Hα-helixtrans-63.5-39.3171.7-78.3179.2-154.4107.1-6.7112.6A95 R96 E97 L102 L103A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.26Å; A95-R99 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-N 3.14Å; A95-R99 PolarHBondContact O-NH1 2.94Å; R96-R99 PolarHBondContact O-N 3.24Å; E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 3.03Å; R99-L102 PolarHBondContact O-N 3Å; R99-L103 WeakPolarHBondContact O-CB 3.48Å; R99-L103 PolarHBondContact O-N 3.42Å
100A86.5Confident79.5Confident47 Ų47113.6 Ų113.639%0.38856%0.556SS.*Hα-helixtrans-66.3-40.1176.400000111.7R96 E97 L103 Q104R96-A100 WeakPolarHBondContact O-CB 3.4Å; R96-A100 PolarHBondContact O-N 2.98Å; E97-A100 WeakPolarHBondContact O-CB 3.48Å; E97-A100 PolarHBondContact O-N 3.38Å; E97-A100 VanDerWaalsContact O-N 3.12Å; A100-L103 PolarHBondContact O-N 3.14Å; A100-Q104 WeakPolarHBondContact O-CB 3.38Å; A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.4Å
101Q88Confident81.6Confident75 Ų75111.2 Ų111.235%0.3555%0.545SS..Hα-helixtrans-65.7-41.9174.1-70.717617.500111.7E97 L98 Q104 L105E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.36Å; L98-Q101 PolarHBondContact O-N 3.09Å; Q101-Q104 PolarHBondContact O-N 3.22Å; Q101-L105 WeakPolarHBondContact O-CB 3.3Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.19Å; Q101-L105 PolarHBondContact O-N 3.4Å
102L87Confident83.8Confident88 Ų88103.9 Ų103.946%0.46153%0.53SS..Hα-helixtrans-59.6-46.5172.9-75.7171.2000111.3L98 R99 Q104 L105 E106L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.85Å; R99-L102 PolarHBondContact O-N 3Å; L102-Q104 PolarHBondContact O-N 3.03Å; L102-L105 PolarHBondContact O-N 3.23Å; L102-E106 WeakPolarHBondContact O-CB 3.44Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.31Å; L102-E106 PolarHBondContact O-N 3.05Å
103L90.8Very high85.8Confident103 Ų103102.3 Ų102.354%0.53952%0.52SS..Hα-helixtrans-61.6-43176.9-171156000111.8R99 A100 L105 E106 E107R99-L103 WeakPolarHBondContact O-CB 3.48Å; R99-L103 PolarHBondContact O-N 3.42Å; A100-L103 PolarHBondContact O-N 3.14Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.79Å; L103-E106 PolarHBondContact O-N 2.99Å; L103-E107 WeakPolarHBondContact O-CB 3.48Å; L103-E107 PolarHBondContact O-N 3.02Å
104Q92.1Very high87.5Confident106 Ų106103.6 Ų103.650%0.49553%0.527SS..Hα-helixtrans-64.1-37.8175-76.9-178.4-2.400112.6A100 Q101 L102 K108A100-Q104 WeakPolarHBondContact O-CB 3.38Å; A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.4Å; Q101-Q104 PolarHBondContact O-N 3.22Å; L102-Q104 PolarHBondContact O-N 3.03Å; Q104-K108 WeakPolarHBondContact O-CB 3.28Å; Q104-K108 WeakPolarHBondContact O-CG 3.45Å; Q104-K108 PolarHBondContact O-N 3.4Å
105L92Very high89.2Confident100 Ų100101.9 Ų101.952%0.52452%0.522SS..Hα-helixtrans-68.5-42.5175.2-73.4172.8000110.9Q101 L102 L103 E107 K108 V109Q101-L105 WeakPolarHBondContact O-CB 3.3Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.19Å; Q101-L105 PolarHBondContact O-N 3.4Å; L102-L105 PolarHBondContact O-N 3.23Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.79Å; L105-E107 PolarHBondContact O-N 2.94Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 3.37Å
106E91.9Very high90.3Very high130 Ų130104.7 Ų104.761%0.60753%0.531SS*.Hα-helixtrans-59.2-44.8173.9-74.9171.4-17300111.5L102 L103 V109 K110L102-E106 WeakPolarHBondContact O-CB 3.44Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.31Å; L102-E106 PolarHBondContact O-N 3.05Å; L103-E106 PolarHBondContact O-N 2.99Å; E106-V109 PolarHBondContact O-N 3.18Å; E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.46Å
107E92.7Very high91.2Very high135 Ų135100.1 Ų100.163%0.63152%0.523SS*.Hα-helixtrans-64.5-42.3176.3-173.6175.8-161.600111.8L103 L105 K110 G111L103-E107 WeakPolarHBondContact O-CB 3.48Å; L103-E107 PolarHBondContact O-N 3.02Å; L105-E107 PolarHBondContact O-N 2.94Å; E107-K110 PolarHBondContact O-N 3.11Å; E107-G111 PolarHBondContact O-N 3.45Å
108K94.5Very high91.8Very high138 Ų13899.3 Ų99.360%0.652%0.52SS*.Hα-helixtrans-63.8-40.8175.1-76.2171.4-176.6175.50112.3Q104 L105 K110 G111 A112Q104-K108 WeakPolarHBondContact O-CB 3.28Å; Q104-K108 WeakPolarHBondContact O-CG 3.45Å; Q104-K108 PolarHBondContact O-N 3.4Å; L105-K108 PolarHBondContact O-N 3.07Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-G111 PolarHBondContact O-N 2.88Å; K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.27Å
109V94.3Very high92.5Very high94 Ų9499.7 Ų99.757%0.5752%0.522SS*.Hα-helixtrans-63.8-43.2175.4168.90000110.1L105 E106 A112 M113L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 3.37Å; E106-V109 PolarHBondContact O-N 3.18Å; V109-A112 PolarHBondContact O-N 3.07Å; V109-M113 VanDerWaalsContact O-CB 3.31Å; V109-M113 WeakPolarHBondContact O-CB 3.29Å; V109-M113 PolarHBondContact O-N 3.21Å
110K94.4Very high93.1Very high133 Ų13395.2 Ų95.258%0.57851%0.51SS*.Hα-helixtrans-61.4-44.6174.8-171176.9-178.5177.40111.8E106 E107 K108 M113 L114E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.46Å; E107-K110 PolarHBondContact O-N 3.11Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K110-M113 PolarHBondContact O-N 3.42Å; K110-L114 HydrophobicContact CG-CD1 4.44Å; K110-L114 WeakPolarHBondContact O-CG 3.34Å; K110-L114 PolarHBondContact O-N 2.96Å
111G93.7Very high93.5Very high39 Ų3997.4 Ų97.440%0.40252%0.515SS..Hα-helixtrans-62-43.7175.500000112.9E107 K108 L114 S115E107-G111 PolarHBondContact O-N 3.45Å; K108-G111 PolarHBondContact O-N 2.88Å; G111-L114 PolarHBondContact O-N 3.18Å; G111-S115 WeakPolarHBondContact O-CB 3.29Å; G111-S115 PolarHBondContact O-N 2.95Å
112A95.2Very high94Very high62 Ų6296.9 Ų96.951%0.51252%0.515SS..Hα-helixtrans-64.4-40.4176.200000111.9K108 V109 S115 N116K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.27Å; V109-A112 PolarHBondContact O-N 3.07Å; A112-S115 PolarHBondContact O-N 3.23Å; A112-N116 VanDerWaalsContact O-CB 3.27Å; A112-N116 WeakPolarHBondContact O-CB 3.35Å; A112-N116 PolarHBondContact O-N 2.64Å
113M95.4Very high94.4Very high114 Ų11499.2 Ų99.256%0.56252%0.521SS*.Hα-helixtrans-64.9-44.2176.3-178168.243.500111.6V109 K110 N116 V117V109-M113 VanDerWaalsContact O-CB 3.31Å; V109-M113 WeakPolarHBondContact O-CB 3.29Å; V109-M113 PolarHBondContact O-N 3.21Å; K110-M113 PolarHBondContact O-N 3.42Å; M113-N116 PolarHBondContact O-N 3.38Å; M113-V117 VanDerWaalsContact O-CG2 3.29Å; M113-V117 WeakPolarHBondContact O-CG2 3.38Å; M113-V117 PolarHBondContact O-N 2.93Å
114L92.6Very high94.8Very high112 Ų11298.5 Ų98.559%0.58652%0.515SS*.Hα-helixtrans-62.1-43.3174.2-73.1171.1000112.3K110 G111 N116 V117 Q118K110-L114 HydrophobicContact CG-CD1 4.44Å; K110-L114 WeakPolarHBondContact O-CG 3.34Å; K110-L114 PolarHBondContact O-N 2.96Å; G111-L114 PolarHBondContact O-N 3.18Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 3.43Å; L114-Q118 PolarHBondContact O-N 2.91Å
115S93.5Very high95Very high63 Ų6398.7 Ų98.744%0.44152%0.519SS..Hα-helixtrans-63.9-38174.4-176.10000111.8G111 A112 Q118 L119G111-S115 WeakPolarHBondContact O-CB 3.29Å; G111-S115 PolarHBondContact O-N 2.95Å; A112-S115 PolarHBondContact O-N 3.23Å; S115-Q118 PolarHBondContact O-N 3.44Å; S115-L119 WeakPolarHBondContact O-CB 3.42Å; S115-L119 WeakPolarHBondContact O-CG 3.21Å; S115-L119 PolarHBondContact O-N 3.2Å
116N93.5Very high95.3Very high111 Ų11198.7 Ų98.759%0.59452%0.519SS*.Hα-helixtrans-67.6-39.7178.1-165.938.9000111.2A112 M113 L114 L119 D120A112-N116 VanDerWaalsContact O-CB 3.27Å; A112-N116 WeakPolarHBondContact O-CB 3.35Å; A112-N116 PolarHBondContact O-N 2.64Å; M113-N116 PolarHBondContact O-N 3.38Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.49Å; N116-L119 PolarHBondContact O-N 3.08Å; N116-D120 WeakPolarHBondContact O-CB 3.2Å; N116-D120 PolarHBondContact O-N 3.39Å
117V96.6Very high95.5Very high95 Ų9599.1 Ų99.158%0.57652%0.519SS*.Hα-helixtrans-63.2-44.3173.2171.10000111.2M113 L114 D120 N121M113-V117 VanDerWaalsContact O-CG2 3.29Å; M113-V117 WeakPolarHBondContact O-CG2 3.38Å; M113-V117 PolarHBondContact O-N 2.93Å; L114-V117 PolarHBondContact O-N 3.43Å; V117-D120 PolarHBondContact O-N 3.27Å; V117-N121 PolarHBondContact O-N 3.47Å
118Q96.3Very high95.8Very high84 Ų84100.4 Ų100.439%0.39352%0.519SS..Hα-helixtrans-61.9-45.2175.9-177.463.329.100111.6L114 S115 D120 N121 D122L114-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 PolarHBondContact O-N 3.44Å; Q118-D120 VanDerWaalsContact C-N 3.29Å; Q118-D120 PolarHBondContact O-N 2.94Å; Q118-N121 PolarHBondContact O-N 2.99Å; Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact O-N 2.88Å
119L96.7Very high96Very high102 Ų10298.9 Ų98.953%0.53451%0.514SS..Hα-helixtrans-63.4-34.9177.2-73.5172000112.2S115 N116 K123S115-L119 WeakPolarHBondContact O-CB 3.42Å; S115-L119 WeakPolarHBondContact O-CG 3.21Å; S115-L119 PolarHBondContact O-N 3.2Å; N116-L119 PolarHBondContact O-N 3.08Å; L119-K123 WeakPolarHBondContact O-CB 3.3Å; L119-K123 PolarHBondContact O-N 3.3Å
120D97Very high96.1Very high69 Ų6997.7 Ų97.737%0.36951%0.507SS..Hα-helixtrans-69-41.6175.7-165.262.3000111.5N116 V117 Q118 K123 Q124N116-D120 WeakPolarHBondContact O-CB 3.2Å; N116-D120 PolarHBondContact O-N 3.39Å; V117-D120 PolarHBondContact O-N 3.27Å; Q118-D120 VanDerWaalsContact C-N 3.29Å; Q118-D120 PolarHBondContact O-N 2.94Å; D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.79Å; D120-Q124 VanDerWaalsContact O-CG 3.26Å; D120-Q124 WeakPolarHBondContact O-CG 3.25Å; D120-Q124 PolarHBondContact O-N 2.94Å; D120-Q124 PolarHBondContact OD2-NE2 3.34Å
121N95.9Very high96.3Very high92 Ų9294 Ų9449%0.49249%0.494SS..Hα-helixtrans-61.6-48173.4-1707.1000111.8V117 Q118 K123 Q124 L125V117-N121 PolarHBondContact O-N 3.47Å; Q118-N121 PolarHBondContact O-N 2.99Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.35Å; N121-Q124 WeakPolarHBondContact O-CB 3.29Å; N121-Q124 PolarHBondContact O-N 3.32Å; N121-Q124 VanDerWaalsContact O-N 3.15Å; N121-L125 PolarHBondContact O-N 3.12Å
122D97Very high96.4Very high64 Ų6496.6 Ų96.634%0.34250%0.497SS..Hα-helixtrans-62.5-37.2177-66.8-14.9000111.4Q118 L125 L126Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact O-N 2.88Å; D122-L125 PolarHBondContact O-N 3.5Å; D122-L126 WeakPolarHBondContact O-CB 3.21Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.24Å; D122-L126 PolarHBondContact O-N 2.89Å
123K96.7Very high96.5Very high138 Ų13898.2 Ų98.260%0.650%0.497SS*.Hα-helixtrans-65-41.4174.1176.8-170.7170.8-162.50111.7L119 D120 N121 K127L119-K123 WeakPolarHBondContact O-CB 3.3Å; L119-K123 PolarHBondContact O-N 3.3Å; D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.79Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.35Å; K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.44Å
124Q97.7Very high96.6Very high88 Ų8898 Ų9841%0.41149%0.493SS..Hα-helixtrans-63.9-45.8174.9-71.2175.230.700110.6D120 N121 K127 Y128D120-Q124 VanDerWaalsContact O-CG 3.26Å; D120-Q124 WeakPolarHBondContact O-CG 3.25Å; D120-Q124 PolarHBondContact O-N 2.94Å; D120-Q124 PolarHBondContact OD2-NE2 3.34Å; N121-Q124 WeakPolarHBondContact O-CB 3.29Å; N121-Q124 PolarHBondContact O-N 3.32Å; N121-Q124 VanDerWaalsContact O-N 3.15Å; Q124-K127 WeakPolarHBondContact O-CB 3.46Å; Q124-K127 PolarHBondContact O-N 3.16Å; Q124-K127 VanDerWaalsContact O-N 3.16Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Q124-Y128 PolarHBondContact O-N 3.41Å
125L97.8Very high96.9Very high110 Ų11097 Ų9758%0.57649%0.489SS*.Hα-helixtrans-58.9-49.3176.2-177.765.7000111.8N121 D122 K127 Y128 E129N121-L125 PolarHBondContact O-N 3.12Å; D122-L125 PolarHBondContact O-N 3.5Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-Y128 PolarHBondContact O-N 3.45Å; L125-E129 PolarHBondContact O-N 3.19Å
126L97.4Very high97.1Very high100 Ų10099.5 Ų99.552%0.52449%0.491SS..Hα-helixtrans-63-33.8176.7-75.7167.7000112.1D122 E129 V130D122-L126 WeakPolarHBondContact O-CB 3.21Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.24Å; D122-L126 PolarHBondContact O-N 2.89Å; L126-E129 PolarHBondContact O-N 3.02Å; L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.38Å
127K97.4Very high97.2Very high139 Ų13999.6 Ų99.660%0.60449%0.491SS*.Hα-helixtrans-63.3-47.7175.2-170.2-173.6176.7-1560110.8K123 Q124 L125 E129 V130 D131K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.44Å; Q124-K127 WeakPolarHBondContact O-CB 3.46Å; Q124-K127 PolarHBondContact O-N 3.16Å; Q124-K127 VanDerWaalsContact O-N 3.16Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.25Å; K127-V130 PolarHBondContact O-N 3.47Å; K127-D131 VanDerWaalsContact O-CG 3.32Å; K127-D131 PolarHBondContact O-N 2.74Å
128Y98Very high97.2Very high162 Ų162100.9 Ų100.964%0.63549%0.491SS*.Hα-helixtrans-62.3-40175.4-68.2-58.5000112.6Q124 L125 D131 L132Q124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Q124-Y128 PolarHBondContact O-N 3.41Å; L125-Y128 PolarHBondContact O-N 3.45Å; Y128-D131 PolarHBondContact O-N 3.19Å; Y128-L132 WeakPolarHBondContact O-CB 3.47Å; Y128-L132 PolarHBondContact O-N 3.29Å
129E97.8Very high97.2Very high105 Ų105102.1 Ų102.149%0.49150%0.5SS..Hα-helixtrans-64.7-43.1176.6-176.7169.9-165.500111.9L125 L126 K127 D131 L132 L133L125-E129 PolarHBondContact O-N 3.19Å; L126-E129 PolarHBondContact O-N 3.02Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.25Å; E129-D131 VanDerWaalsContact C-N 3.32Å; E129-D131 PolarHBondContact O-N 3.47Å; E129-L132 PolarHBondContact O-N 3.26Å; E129-L133 HydrophobicContact CG-CD1 4.23Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.05Å
130V97.1Very high97.1Very high70 Ų70102.9 Ų102.942%0.42450%0.504SS..Hα-helixtrans-61.8-41.3175.1164.70000111.2L126 K127 L133 K134L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.38Å; K127-V130 PolarHBondContact O-N 3.47Å; V130-L133 PolarHBondContact O-N 3.01Å; V130-K134 HydrophobicContact CG1-CD 4.42Å; V130-K134 VanDerWaalsContact CG1-CE 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.49Å; V130-K134 PolarHBondContact O-N 2.93Å
131D98Very high97Very high56 Ų56103.3 Ų103.330%0.29951%0.509SS..Hα-helixtrans-67.7-43.1178.6-68.2-22.7000111.1K127 Y128 E129 L133 K134 D135K127-D131 VanDerWaalsContact O-CG 3.32Å; K127-D131 PolarHBondContact O-N 2.74Å; Y128-D131 PolarHBondContact O-N 3.19Å; E129-D131 VanDerWaalsContact C-N 3.32Å; E129-D131 PolarHBondContact O-N 3.47Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.32Å; D131-K134 WeakPolarHBondContact O-CB 3.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.32Å; D131-D135 PolarHBondContact O-N 2.83Å
132L97Very high97Very high92 Ų92103.3 Ų103.348%0.48251%0.509SS..Hα-helixtrans-60.3-37.2172.4178.963.4000113Y128 E129 K136Y128-L132 WeakPolarHBondContact O-CB 3.47Å; Y128-L132 PolarHBondContact O-N 3.29Å; E129-L132 PolarHBondContact O-N 3.26Å; L132-K136 WeakPolarHBondContact O-CG 3.45Å; L132-K136 PolarHBondContact O-N 2.66Å; L132-K136 VanDerWaalsContact O-N 3.12Å
133L97.6Very high97Very high97 Ų97103.1 Ų103.151%0.50852%0.517SS..Hα-helixtrans-70.2-33.9176.7-74.9172.9000112.2E129 V130 D131 L137E129-L133 HydrophobicContact CG-CD1 4.23Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.05Å; V130-L133 PolarHBondContact O-N 3.01Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.82Å
134K97.6Very high96.9Very high110 Ų110103.9 Ų103.948%0.47852%0.517SS..Hα-helixtrans-65.5-44.9173-71169.3-166.7155.30111V130 D131 K136 L137 E138V130-K134 HydrophobicContact CG1-CD 4.42Å; V130-K134 VanDerWaalsContact CG1-CE 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.49Å; V130-K134 PolarHBondContact O-N 2.93Å; D131-K134 WeakPolarHBondContact O-CB 3.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.32Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.96Å; K134-L137 WeakPolarHBondContact O-CB 3.28Å; K134-L137 PolarHBondContact O-N 3.01Å; K134-L137 VanDerWaalsContact O-N 3.09Å; K134-E138 PolarHBondContact O-N 2.77Å
135D98.1Very high96.8Very high91 Ų91102.2 Ų102.249%0.48752%0.518SS..Hα-helixtrans-58.9-46.2177.5-64.3-12.4000110.7D131 L137 E138 D139D131-D135 PolarHBondContact O-N 2.83Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 PolarHBondContact O-N 2.77Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 3.08Å; D135-D139 PolarHBondContact O-N 3.23Å
136K97.9Very high96.5Very high114 Ų114100.4 Ų100.450%0.49652%0.515SS..Hα-helixtrans-61.6-35.5175.4-73.1174.2-178.1174.80113.4L132 K134 L140L132-K136 WeakPolarHBondContact O-CG 3.45Å; L132-K136 PolarHBondContact O-N 2.66Å; L132-K136 VanDerWaalsContact O-N 3.12Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.96Å; K136-L140 WeakPolarHBondContact O-CB 3.37Å; K136-L140 PolarHBondContact O-N 3.26Å
137L95.3Very high96.3Very high114 Ų114101.2 Ų101.260%0.59752%0.519SS*.Hα-helixtrans-70-39.1177.1-176.468.1000110.9L133 K134 D135 T141L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.82Å; K134-L137 WeakPolarHBondContact O-CB 3.28Å; K134-L137 PolarHBondContact O-N 3.01Å; K134-L137 VanDerWaalsContact O-N 3.09Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 PolarHBondContact O-N 2.77Å; L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 3.02Å
138E96.4Very high96.2Very high121 Ų12198 Ų9857%0.56551%0.508SS*.Hα-helixtrans-62.8-50.7174.1-170.4166.2-175.700110.5K134 D135 L140 T141 D142K134-E138 PolarHBondContact O-N 2.77Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 3.08Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.29Å; E138-T141 WeakPolarHBondContact O-CB 3.46Å; E138-T141 PolarHBondContact O-N 3.11Å; E138-D142 PolarHBondContact O-N 2.86Å
139D95.9Very high96.1Very high111 Ų11197.2 Ų97.259%0.59451%0.508SS*.Hα-helixtrans-55.5-44.3175.8-73.4-21.1000112.5D135 T141 D142 A143D135-D139 PolarHBondContact O-N 3.23Å; D139-T141 VanDerWaalsContact C-N 3.34Å; D139-D142 PolarHBondContact O-N 3.06Å; D139-A143 VanDerWaalsContact O-CB 3.29Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.29Å
140L95.5Very high95.8Very high118 Ų11895.8 Ų95.862%0.61851%0.507SS*.Hα-helixtrans-67.6-37.6179-166154.5000111.2K136 E138 A143 Y144K136-L140 WeakPolarHBondContact O-CB 3.37Å; K136-L140 PolarHBondContact O-N 3.26Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 3.15Å; L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 2.91Å
141T95.5Very high95.6Very high77 Ų7798.4 Ų98.447%0.47251%0.513SS..Hα-helixtrans-64.7-44.7176.4-58.70000110.9L137 E138 D139 Y144 A145L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 3.02Å; E138-T141 WeakPolarHBondContact O-CB 3.46Å; E138-T141 PolarHBondContact O-N 3.11Å; D139-T141 VanDerWaalsContact C-N 3.34Å; T141-Y144 PolarHBondContact O-N 3.3Å; T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 3.01Å
142D95.7Very high95.5Very high92 Ų92100.2 Ų100.249%0.49252%0.522SS..Hα-helixtrans-67.2-39.1177.7-78.5-8.8000112.3E138 D139 A145 S146E138-D142 PolarHBondContact O-N 2.86Å; D139-D142 PolarHBondContact O-N 3.06Å; D142-A145 PolarHBondContact O-N 3.41Å; D142-S146 WeakPolarHBondContact O-CB 3.39Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.93Å
143A96.3Very high95.3Very high60 Ų60102 Ų10250%0.49653%0.528SS..Hα-helixtrans-62.9-43.8173.100000111.5D139 L140 S146 L147D139-A143 VanDerWaalsContact O-CB 3.29Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 3.15Å; A143-S146 PolarHBondContact O-N 3.07Å; A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 PolarHBondContact O-N 3.03Å
144Y94.7Very high95.2Very high154 Ų154102.7 Ų102.760%0.60453%0.532SS*.Hα-helixtrans-64.1-43.5176.1-179.7-94.5000111.8L140 T141 S146 L147 N148L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 2.91Å; T141-Y144 PolarHBondContact O-N 3.3Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.87Å; Y144-L147 PolarHBondContact O-N 2.82Å; Y144-N148 VanDerWaalsContact O-CB 3.3Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.08Å
145A95.3Very high95Very high54 Ų54103.8 Ų103.845%0.44654%0.537SS..Hα-helixtrans-61.2-43.1176.700000111.6T141 D142 N148 K149T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact O-N 3.41Å; A145-N148 PolarHBondContact O-N 3.07Å; A145-K149 WeakPolarHBondContact O-CB 3.13Å; A145-K149 PolarHBondContact O-N 2.77Å
146S92.6Very high94.9Very high72 Ų72109.1 Ų109.150%0.50355%0.55SS.*Hα-helixtrans-65.2-44.6176.7-61.40000112.1D142 A143 Y144 N148 K149 T150D142-S146 WeakPolarHBondContact O-CB 3.39Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.93Å; A143-S146 PolarHBondContact O-N 3.07Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.87Å; S146-N148 PolarHBondContact O-N 3.16Å; S146-K149 PolarHBondContact O-N 2.76Å; S146-T150 WeakPolarHBondContact O-CG2 3.4Å; S146-T150 PolarHBondContact O-N 3.3Å; S146-T150 PolarHBondContact O-OG1 3.19Å
147L93.6Very high94.7Very high117 Ų117107.8 Ų107.861%0.61355%0.546SS*.Hα-helixtrans-62.4-43.1175.7-176.762.7000111.3A143 Y144 K149 T150 F151A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 PolarHBondContact O-N 3.03Å; Y144-L147 PolarHBondContact O-N 2.82Å; L147-K149 PolarHBondContact O-N 2.93Å; L147-T150 PolarHBondContact O-N 2.67Å; L147-T150 PolarHBondContact O-OG1 3.43Å; L147-F151 WeakPolarHBondContact O-CB 3.04Å; L147-F151 PolarHBondContact O-N 3.06Å
148N94.5Very high94.5Very high70 Ų70106.3 Ų106.337%0.37454%0.538SS..Hα-helixtrans-65.1-38.2177.6-174.563.6000112.2Y144 A145 S146 F151 L152Y144-N148 VanDerWaalsContact O-CB 3.3Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.08Å; A145-N148 PolarHBondContact O-N 3.07Å; S146-N148 PolarHBondContact O-N 3.16Å; N148-F151 PolarHBondContact O-N 3.15Å; N148-L152 WeakPolarHBondContact O-CG 3.33Å; N148-L152 PolarHBondContact O-N 2.93Å
149K94.6Very high94.5Very high146 Ų146103.3 Ų103.364%0.63553%0.534SS*.Hα-helixtrans-60.2-49.5174-177.2-176174.2-171.90111.4A145 S146 L147 F151 L152 E153A145-K149 WeakPolarHBondContact O-CB 3.13Å; A145-K149 PolarHBondContact O-N 2.77Å; S146-K149 PolarHBondContact O-N 2.76Å; L147-K149 PolarHBondContact O-N 2.93Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.43Å; K149-L152 PolarHBondContact O-N 2.95Å; K149-E153 PolarHBondContact O-N 3.27Å
150T93Very high94.5Very high75 Ų75104 Ų10446%0.4653%0.529SS..Hα-helixtrans-66.5-34.6179.3600000112.5S146 L147 E153 N154S146-T150 WeakPolarHBondContact O-CG2 3.4Å; S146-T150 PolarHBondContact O-N 3.3Å; S146-T150 PolarHBondContact O-OG1 3.19Å; L147-T150 PolarHBondContact O-N 2.67Å; L147-T150 PolarHBondContact O-OG1 3.43Å; T150-E153 PolarHBondContact O-N 3.16Å; T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.49Å
151F93Very high94.6Very high126 Ų126102.6 Ų102.655%0.55352%0.519SS*.Hα-helixtrans-62.2-44.1173175.5-98.3000112.2L147 N148 K149 N154 K155L147-F151 WeakPolarHBondContact O-CB 3.04Å; L147-F151 PolarHBondContact O-N 3.06Å; N148-F151 PolarHBondContact O-N 3.15Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.43Å; F151-N154 PolarHBondContact O-N 3.33Å; F151-K155 WeakPolarHBondContact O-CB 3.46Å; F151-K155 PolarHBondContact O-N 2.87Å
152L95.5Very high94.6Very high94 Ų94105 Ų10549%0.49252%0.523SS..Hα-helixtrans-66.5-38.2177.4-72.9170.1000112.2N148 K149 K155 R156N148-L152 WeakPolarHBondContact O-CG 3.33Å; N148-L152 PolarHBondContact O-N 2.93Å; K149-L152 PolarHBondContact O-N 2.95Å; L152-K155 PolarHBondContact O-N 3.4Å; L152-R156 PolarHBondContact O-N 2.8Å
153E93.2Very high94.6Very high128 Ų128106.2 Ų106.260%0.59853%0.528SS*.Hα-helixtrans-64.3-48.4174.6-174.6167.5-163.200111.7K149 T150 K155 R156 E157K149-E153 PolarHBondContact O-N 3.27Å; T150-E153 PolarHBondContact O-N 3.16Å; E153-K155 VanDerWaalsContact C-N 3.29Å; E153-K155 PolarHBondContact O-N 3.04Å; E153-R156 WeakPolarHBondContact O-CA 3.38Å; E153-R156 WeakPolarHBondContact O-CB 3.43Å; E153-R156 PolarHBondContact O-N 3.47Å; E153-E157 PolarHBondContact O-N 2.9Å
154N93.9Very high94.6Very high112 Ų112107.5 Ų107.560%0.59952%0.523SS*.Hα-helixtrans-60.8-38.6175.4-170.213.7000111.9T150 F151 R156 E157 L158T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.49Å; F151-N154 PolarHBondContact O-N 3.33Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.23Å; N154-E157 PolarHBondContact O-N 2.79Å; N154-L158 WeakPolarHBondContact O-CB 3.44Å; N154-L158 PolarHBondContact O-N 3.3Å
155K94.8Very high94.6Very high133 Ų133105.1 Ų105.158%0.57852%0.52SS*.Hα-helixtrans-63.1-36.5174.2-173.7177.6179.6-178.90112.3F151 L152 E153 A159F151-K155 WeakPolarHBondContact O-CB 3.46Å; F151-K155 PolarHBondContact O-N 2.87Å; L152-K155 PolarHBondContact O-N 3.4Å; E153-K155 VanDerWaalsContact C-N 3.29Å; E153-K155 PolarHBondContact O-N 3.04Å; K155-A159 PolarHBondContact O-N 3.29Å
156R95.4Very high94.7Very high204 Ų204107.4 Ų107.477%0.7753%0.528SS*.Hα-helixtrans-70-43.8175.7-175.1179.81801580.1111.4L152 E153 N154 A159 Y160L152-R156 PolarHBondContact O-N 2.8Å; E153-R156 WeakPolarHBondContact O-CA 3.38Å; E153-R156 WeakPolarHBondContact O-CB 3.43Å; E153-R156 PolarHBondContact O-N 3.47Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.23Å; R156-A159 WeakPolarHBondContact O-CB 3.34Å; R156-A159 PolarHBondContact O-N 2.98Å; R156-Y160 PolarHBondContact O-N 3.05Å
157E94.6Very high94.8Very high86 Ų86108.1 Ų108.140%0.40252%0.523SS..Hα-helixtrans-62.6-44.1176.8-175.954.8-146.900111.4E153 N154 A159 Y160 Q161E153-E157 PolarHBondContact O-N 2.9Å; N154-E157 PolarHBondContact O-N 2.79Å; E157-A159 VanDerWaalsContact C-N 3.26Å; E157-A159 PolarHBondContact O-N 3.25Å; E157-Y160 WeakPolarHBondContact O-CB 3.21Å; E157-Y160 PolarHBondContact O-N 3.11Å; E157-Y160 VanDerWaalsContact O-N 3.08Å; E157-Q161 WeakPolarHBondContact O-CG 3.44Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 WeakPolarHBondContact OE1-CG 3.45Å; E157-Q161 PolarHBondContact OE1-NE2 3.32Å
158L91.4Very high94.9Very high82 Ų82106.6 Ų106.643%0.42952%0.516SS..Hα-helixtrans-58.1-39.3173.8-179.865.3000112.1N154 K162N154-L158 WeakPolarHBondContact O-CB 3.44Å; N154-L158 PolarHBondContact O-N 3.3Å; L158-K162 HydrophobicContact CG-CD 4.47Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 VanDerWaalsContact O-CG 3.25Å; L158-K162 WeakPolarHBondContact O-CG 3.29Å; L158-K162 PolarHBondContact O-N 3.5Å
159A95.9Very high95Very high59 Ų59106.2 Ų106.249%0.48852%0.516SS..Hα-helixtrans-67.7-39.5176.100000111.9K155 R156 E157 K162 M163K155-A159 PolarHBondContact O-N 3.29Å; R156-A159 WeakPolarHBondContact O-CB 3.34Å; R156-A159 PolarHBondContact O-N 2.98Å; E157-A159 VanDerWaalsContact C-N 3.26Å; E157-A159 PolarHBondContact O-N 3.25Å; A159-K162 PolarHBondContact O-N 2.82Å; A159-M163 PolarHBondContact O-N 3.24Å; A159-M163 VanDerWaalsContact O-N 3.08Å
160Y96Very high95.1Very high125 Ų125105.7 Ų105.749%0.4952%0.515SS..Hα-helixtrans-62.8-48.7175.1176.8-105.1000111.8R156 E157 K162 M163 Q164R156-Y160 PolarHBondContact O-N 3.05Å; E157-Y160 WeakPolarHBondContact O-CB 3.21Å; E157-Y160 PolarHBondContact O-N 3.11Å; E157-Y160 VanDerWaalsContact O-N 3.08Å; Y160-K162 VanDerWaalsContact C-N 3.33Å; Y160-K162 PolarHBondContact O-N 3.41Å; Y160-M163 HydrophobicContact CD2-CE 4.36Å; Y160-M163 HydrophobicContact CE2-CE 4.49Å; Y160-M163 WeakPolarHBondContact O-CB 3.43Å; Y160-M163 PolarHBondContact O-N 2.83Å; Y160-M163 VanDerWaalsContact O-N 3.1Å; Y160-Q164 PolarHBondContact O-N 2.98Å
161Q96.2Very high95.3Very high88 Ų88108.5 Ų108.541%0.41152%0.518SS..Hα-helixtrans-60.7-41.6177.2-69.9176.72.100112E157 M163 Q164 I165E157-Q161 WeakPolarHBondContact O-CG 3.44Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 WeakPolarHBondContact OE1-CG 3.45Å; E157-Q161 PolarHBondContact OE1-NE2 3.32Å; Q161-M163 VanDerWaalsContact C-N 3.31Å; Q161-M163 PolarHBondContact O-N 2.81Å; Q161-Q164 PolarHBondContact O-N 2.99Å; Q161-I165 WeakPolarHBondContact O-CG1 3.5Å; Q161-I165 PolarHBondContact O-N 2.81Å
162K96.4Very high95.4Very high128 Ų128107.6 Ų107.656%0.55752%0.518SS*.Hα-helixtrans-59.5-41.7173.8-77.6177.9177.9-171.30112.3L158 A159 Y160 I165 V166L158-K162 HydrophobicContact CG-CD 4.47Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 VanDerWaalsContact O-CG 3.25Å; L158-K162 WeakPolarHBondContact O-CG 3.29Å; L158-K162 PolarHBondContact O-N 3.5Å; A159-K162 PolarHBondContact O-N 2.82Å; Y160-K162 VanDerWaalsContact C-N 3.33Å; Y160-K162 PolarHBondContact O-N 3.41Å; K162-I165 PolarHBondContact O-N 3.48Å; K162-V166 WeakPolarHBondContact O-CG2 3.29Å; K162-V166 PolarHBondContact O-N 3.32Å; K162-V166 VanDerWaalsContact O-N 3.11Å
163M95.8Very high95.3Very high118 Ų118106.2 Ų106.258%0.58151%0.511SS*.Hα-helixtrans-64-42.8176.7-167.7-179.675.800111.4A159 Y160 Q161 V166 E167A159-M163 PolarHBondContact O-N 3.24Å; A159-M163 VanDerWaalsContact O-N 3.08Å; Y160-M163 HydrophobicContact CD2-CE 4.36Å; Y160-M163 HydrophobicContact CE2-CE 4.49Å; Y160-M163 WeakPolarHBondContact O-CB 3.43Å; Y160-M163 PolarHBondContact O-N 2.83Å; Y160-M163 VanDerWaalsContact O-N 3.1Å; Q161-M163 VanDerWaalsContact C-N 3.31Å; Q161-M163 PolarHBondContact O-N 2.81Å; M163-V166 PolarHBondContact O-N 2.85Å; M163-E167 WeakPolarHBondContact O-CB 3.31Å; M163-E167 PolarHBondContact O-N 3.16Å
164Q97.3Very high95.4Very high86 Ų86107 Ų10740%0.40251%0.509SS..Hα-helixtrans-63.6-41176.9-171.5179.445.500112.2Y160 Q161 V166 E167 L168Y160-Q164 PolarHBondContact O-N 2.98Å; Q161-Q164 PolarHBondContact O-N 2.99Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 3Å; Q164-E167 PolarHBondContact O-N 3.3Å; Q164-L168 HydrophobicContact CG-CD1 4.09Å; Q164-L168 HydrophobicContact CG-CG 4.41Å; Q164-L168 WeakPolarHBondContact O-CB 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.32Å; Q164-L168 PolarHBondContact O-N 3.05Å
165I93.8Very high95.5Very high105 Ų105104 Ų10454%0.53850%0.5SS..Hα-helixtrans-59.3-46.1174.9-71166.4000110.4Q161 K162 E167 L168 T169Q161-I165 WeakPolarHBondContact O-CG1 3.5Å; Q161-I165 PolarHBondContact O-N 2.81Å; K162-I165 PolarHBondContact O-N 3.48Å; I165-E167 PolarHBondContact O-N 3.17Å; I165-L168 PolarHBondContact O-N 3.37Å; I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 3.49Å; I165-T169 PolarHBondContact O-OG1 3.07Å
166V96.4Very high95.5Very high101 Ų101105.1 Ų105.161%0.61250%0.501SS*.Hα-helixtrans-61.8-44.3177.9171.70000111.2K162 M163 Q164 T169 H170K162-V166 WeakPolarHBondContact O-CG2 3.29Å; K162-V166 PolarHBondContact O-N 3.32Å; K162-V166 VanDerWaalsContact O-N 3.11Å; M163-V166 PolarHBondContact O-N 2.85Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 3Å; V166-T169 PolarHBondContact O-N 2.82Å; V166-H170 PolarHBondContact O-N 3.06Å
167E95.5Very high95.5Very high87 Ų87101.1 Ų101.141%0.40749%0.49SS..Hα-helixtrans-62.7-44.8178.7-165.7-165.3163.100112.3M163 Q164 I165 H170 R171M163-E167 WeakPolarHBondContact O-CB 3.31Å; M163-E167 PolarHBondContact O-N 3.16Å; Q164-E167 PolarHBondContact O-N 3.3Å; I165-E167 PolarHBondContact O-N 3.17Å; E167-H170 PolarHBondContact O-N 2.88Å; E167-R171 VanDerWaalsContact CG-NH1 3.33Å; E167-R171 PolarHBondContact O-N 3.09Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 3.33Å; E167-R171 IonicContact OE1-NH1 3.08Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; E167-R171 IonicContact OE1-NH2 3.6Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; E167-R171 IonicContact OE2-NH1 2.74Å
168L96.5Very high95.6Very high86 Ų86102 Ų10245%0.4549%0.494SS..Hα-helixtrans-66.4-38.6175.9-72174.9000111.8Q164 I165 R171 L172Q164-L168 HydrophobicContact CG-CD1 4.09Å; Q164-L168 HydrophobicContact CG-CG 4.41Å; Q164-L168 WeakPolarHBondContact O-CB 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.32Å; Q164-L168 PolarHBondContact O-N 3.05Å; I165-L168 PolarHBondContact O-N 3.37Å; L168-R171 PolarHBondContact O-N 3.03Å; L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.33Å
169T96.2Very high95.7Very high62 Ų62101.1 Ų101.138%0.3849%0.492SS..Hα-helixtrans-60.8-47.6175.6-55.90000110.3I165 V166 R171 L172 D173I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 3.49Å; I165-T169 PolarHBondContact O-OG1 3.07Å; V166-T169 PolarHBondContact O-N 2.82Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.05Å; T169-L172 PolarHBondContact O-N 3.03Å; T169-L172 VanDerWaalsContact O-N 3.12Å; T169-D173 VanDerWaalsContact O-CG 3.31Å; T169-D173 PolarHBondContact O-N 2.86Å
170H96.5Very high95.6Very high135 Ų135102.5 Ų102.563%0.62549%0.488SS*.Hα-helixtrans-60.8-37.7176.1-176.8-87.2000112.6V166 E167 Y174V166-H170 PolarHBondContact O-N 3.06Å; E167-H170 PolarHBondContact O-N 2.88Å; H170-Y174 WeakPolarHBondContact O-CB 3.34Å; H170-Y174 PolarHBondContact O-N 3.38Å
171R97.7Very high95.4Very high134 Ų13498.6 Ų98.651%0.50648%0.482SS..Hα-helixtrans-65.5-41174-74-169.4-18097.25.2112.6E167 L168 T169 Y174 A175E167-R171 VanDerWaalsContact CG-NH1 3.33Å; E167-R171 PolarHBondContact O-N 3.09Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 3.33Å; E167-R171 IonicContact OE1-NH1 3.08Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; E167-R171 IonicContact OE1-NH2 3.6Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; E167-R171 IonicContact OE2-NH1 2.74Å; L168-R171 PolarHBondContact O-N 3.03Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.05Å; R171-Y174 PolarHBondContact O-N 3.35Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.06Å
172L93.5Very high95.1Very high107 Ų107101 Ų10156%0.5649%0.488SS*.Hα-helixtrans-64.7-43.5176.2-72.6175.6000111.2L168 T169 A175 R176L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.33Å; T169-L172 PolarHBondContact O-N 3.03Å; T169-L172 VanDerWaalsContact O-N 3.12Å; L172-A175 PolarHBondContact O-N 2.86Å; L172-R176 WeakPolarHBondContact O-CB 3.31Å; L172-R176 VanDerWaalsContact O-CG 3.32Å; L172-R176 WeakPolarHBondContact O-CG 3.43Å; L172-R176 PolarHBondContact O-N 3.44Å
173D95.1Very high94.8Very high64 Ų6498.2 Ų98.234%0.34248%0.479SS..Hα-helixtrans-64.7-40.9177.4-67-24000111.5T169 A175 R176 H177T169-D173 VanDerWaalsContact O-CG 3.31Å; T169-D173 PolarHBondContact O-N 2.86Å; D173-A175 PolarHBondContact O-N 3.35Å; D173-R176 PolarHBondContact O-N 2.89Å; D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.85Å; D173-H177 PolarHBondContact O-N 3.25Å
174Y95.2Very high94.5Very high145 Ų14598.6 Ų98.657%0.56948%0.479SS*.Hα-helixtrans-62.6-41.9174.4-179.9-114.6000112.6H170 R171 Q178H170-Y174 WeakPolarHBondContact O-CB 3.34Å; H170-Y174 PolarHBondContact O-N 3.38Å; R171-Y174 PolarHBondContact O-N 3.35Å; Y174-Q178 WeakPolarHBondContact O-CG 3.16Å; Y174-Q178 PolarHBondContact O-N 3.4Å
175A96Very high94.1Very high48 Ų4899 Ų9940%0.39748%0.484SS..Hα-helixtrans-66.9-41.1175.800000111.8R171 L172 D173 Q178 V179R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.06Å; L172-A175 PolarHBondContact O-N 2.86Å; D173-A175 PolarHBondContact O-N 3.35Å; A175-Q178 PolarHBondContact O-N 3Å; A175-V179 WeakPolarHBondContact O-CG2 3.44Å; A175-V179 PolarHBondContact O-N 3.43Å
176R95.1Very high93.8Very high158 Ų15895.3 Ų95.360%0.59647%0.465SS*.Hα-helixtrans-58.9-48.3173.7-77.9173.9169.6-179-5.7111.3L172 D173 Q178 V179 E180L172-R176 WeakPolarHBondContact O-CB 3.31Å; L172-R176 VanDerWaalsContact O-CG 3.32Å; L172-R176 WeakPolarHBondContact O-CG 3.43Å; L172-R176 PolarHBondContact O-N 3.44Å; D173-R176 PolarHBondContact O-N 2.89Å; R176-Q178 VanDerWaalsContact C-N 3.31Å; R176-Q178 PolarHBondContact O-N 3.32Å; R176-V179 PolarHBondContact O-N 3.12Å; R176-V179 VanDerWaalsContact O-N 3.09Å; R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.39Å
177H94Very high93.4Very high119 Ų11995.8 Ų95.855%0.55147%0.467SS*.Hα-helixtrans-62.1-35.1176.7-78.6-40.5000113.5D173 E180 A181D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.85Å; D173-H177 PolarHBondContact O-N 3.25Å; H177-E180 IonicContact CE1-OE2 3.4Å; H177-E180 IonicContact CG-OE2 2.63Å; H177-E180 IonicContact ND1-OE2 3.4Å; H177-E180 PolarHBondContact ND1-OE2 2.91Å; H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.29Å; H177-A181 PolarHBondContact O-N 3Å
178Q96.1Very high93Very high105 Ų10598.8 Ų98.849%0.49148%0.481SS..Hα-helixtrans-65.7-40.1172.7-77.6-179.56500112.5Y174 A175 R176 R182Y174-Q178 WeakPolarHBondContact O-CG 3.16Å; Y174-Q178 PolarHBondContact O-N 3.4Å; A175-Q178 PolarHBondContact O-N 3Å; R176-Q178 VanDerWaalsContact C-N 3.31Å; R176-Q178 PolarHBondContact O-N 3.32Å; Q178-R182 WeakPolarHBondContact O-CB 3.38Å; Q178-R182 PolarHBondContact O-N 2.94Å
179V94Very high92.6Very high63 Ų63100.3 Ų100.338%0.38249%0.486SS..Hα-helixtrans-66.1-46.6175.5171.70000110.4A175 R176 A181 R182 D183A175-V179 WeakPolarHBondContact O-CG2 3.44Å; A175-V179 PolarHBondContact O-N 3.43Å; R176-V179 PolarHBondContact O-N 3.12Å; R176-V179 VanDerWaalsContact O-N 3.09Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.39Å; V179-R182 WeakPolarHBondContact O-CB 3.31Å; V179-R182 PolarHBondContact O-N 2.87Å; V179-R182 VanDerWaalsContact O-N 3.16Å; V179-D183 WeakPolarHBondContact O-CB 3.45Å; V179-D183 PolarHBondContact O-N 3.29Å
180E94.1Very high92.1Very high88 Ų8898.7 Ų98.741%0.41148%0.482SS..Hα-helixtrans-58.5-43.9175.2-71.8168-177.800111.8R176 H177 D183 Q184R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.39Å; H177-E180 IonicContact CE1-OE2 3.4Å; H177-E180 IonicContact CG-OE2 2.63Å; H177-E180 IonicContact ND1-OE2 3.4Å; H177-E180 PolarHBondContact ND1-OE2 2.91Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-Q184 VanDerWaalsContact O-CB 3.31Å; E180-Q184 WeakPolarHBondContact O-CB 3.22Å; E180-Q184 WeakPolarHBondContact O-CG 3.45Å; E180-Q184 PolarHBondContact O-N 2.9Å
181A91.8Very high91.6Very high44 Ų4494.6 Ų94.636%0.36446%0.464SS..Hα-helixtrans-63.3-41.4176.600000111.6H177 V179 L185H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.29Å; H177-A181 PolarHBondContact O-N 3Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.39Å; A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.48Å
182R89.9Confident90.9Very high138 Ų13891 Ų9152%0.52146%0.457SS..Hα-helixtrans-62.6-46.1174.3-177.7-172.365.8-168.1-1.9111.2Q178 V179 L185 I186Q178-R182 WeakPolarHBondContact O-CB 3.38Å; Q178-R182 PolarHBondContact O-N 2.94Å; V179-R182 WeakPolarHBondContact O-CB 3.31Å; V179-R182 PolarHBondContact O-N 2.87Å; V179-R182 VanDerWaalsContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 3.01Å; R182-I186 HydrophobicContact CG-CD1 4.02Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.33Å; R182-I186 PolarHBondContact O-N 2.94Å
183D89.4Confident90.4Very high69 Ų6989.3 Ų89.337%0.36945%0.448SS..Hα-helixtrans-69.1-35.9-177.6-63.2-8.3000111V179 E180 I186 V187V179-D183 WeakPolarHBondContact O-CB 3.45Å; V179-D183 PolarHBondContact O-N 3.29Å; E180-D183 PolarHBondContact O-N 3.49Å; D183-I186 PolarHBondContact O-N 2.97Å; D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.32Å; D183-V187 PolarHBondContact O-N 3.31Å
184Q90.1Very high89.4Confident127 Ų12788.1 Ų88.159%0.59344%0.442SS*.Hα-helixtrans-60.3-45.5169.5-75.7168.224.300111.7E180 I186 V187 E188E180-Q184 VanDerWaalsContact O-CB 3.31Å; E180-Q184 WeakPolarHBondContact O-CB 3.22Å; E180-Q184 WeakPolarHBondContact O-CG 3.45Å; E180-Q184 PolarHBondContact O-N 2.9Å; Q184-I186 VanDerWaalsContact C-N 3.35Å; Q184-I186 PolarHBondContact O-N 3.34Å; Q184-V187 PolarHBondContact O-N 3.11Å; Q184-E188 VanDerWaalsContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CB 3.35Å; Q184-E188 PolarHBondContact O-N 3.15Å
185L89.9Confident88.1Confident94 Ų9483.1 Ų83.149%0.49243%0.434SS..Hα-helixtrans-64-39.8176.5-72.1172000111.7A181 R182 V187 E188 H189A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.48Å; R182-L185 PolarHBondContact O-N 3.01Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 2.88Å; L185-E188 PolarHBondContact O-N 2.66Å; L185-H189 WeakPolarHBondContact O-CB 3.32Å; L185-H189 PolarHBondContact O-N 3.33Å; L185-H189 PolarHBondContact O-ND1 3.34Å
186I87.7Confident86.2Confident27 Ų2782.2 Ų82.214%0.13843%0.429CS..Hα-helixtrans-58.4-47.3174.3-71.4166.8000110R182 D183 Q184 G190 L191 L193 L269R182-I186 HydrophobicContact CG-CD1 4.02Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.33Å; R182-I186 PolarHBondContact O-N 2.94Å; D183-I186 PolarHBondContact O-N 2.97Å; Q184-I186 VanDerWaalsContact C-N 3.35Å; Q184-I186 PolarHBondContact O-N 3.34Å; I186-G190 PolarHBondContact O-N 2.85Å; I186-L191 HydrophobicContact CG2-CB 4.18Å; I186-L191 WeakPolarHBondContact CG2-O 3.44Å; I186-L191 WeakPolarHBondContact O-CA 3.5Å; I186-L191 PolarHBondContact O-N 2.88Å; I186-L193 HydrophobicContact CD1-CD1 4.21Å; I186-L269 HydrophobicContact CB-CD1 4.48Å; I186-L269 HydrophobicContact CD1-CD1 4.29Å; I186-L269 HydrophobicContact CG1-CD1 3.93Å; I186-L269 HydrophobicContact CG2-CD1 3.87Å
187V86.9Confident84Confident111 Ų11180.1 Ų80.167%0.67343%0.434SS*.Hα-helixtrans-67-46.1178.8172.50000112.3D183 Q184 L185 H189 G190D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.32Å; D183-V187 PolarHBondContact O-N 3.31Å; Q184-V187 PolarHBondContact O-N 3.11Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 2.88Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.12Å; V187-G190 PolarHBondContact O-N 3.32Å
188E88.2Confident81.7Confident150 Ų15080.9 Ų80.970%0.70144%0.443SS*.Hα-helixtrans-61.1-40.1-178.5-175.6-178.5-177.200111.8Q184 L185 G190Q184-E188 VanDerWaalsContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CB 3.35Å; Q184-E188 PolarHBondContact O-N 3.15Å; L185-E188 PolarHBondContact O-N 2.66Å; E188-G190 PolarHBondContact O-N 3.42Å
189H87.1Confident79.2Confident118 Ų11879.4 Ų79.455%0.54645%0.448SS..THydrogen-bonded Turntrans-81.95.3178.4-6572.6000112.6L185 V187 L191L185-H189 WeakPolarHBondContact O-CB 3.32Å; L185-H189 PolarHBondContact O-N 3.33Å; L185-H189 PolarHBondContact O-ND1 3.34Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.12Å; H189-L191 HydrophobicContact CB-CD1 4.05Å; H189-L191 HydrophobicContact CB-CG 3.94Å; H189-L191 PolarHBondContact O-N 3.48Å
190G85.3Confident76.7Confident29 Ų2982.8 Ų82.830%0.29946%0.464SS..THydrogen-bonded Turntrans62.529.7179.600000113I186 V187 E188 K272I186-G190 PolarHBondContact O-N 2.85Å; V187-G190 PolarHBondContact O-N 3.32Å; E188-G190 PolarHBondContact O-N 3.42Å; G190-K272 WeakPolarHBondContact O-CB 3.47Å; G190-K272 PolarHBondContact O-N 2.88Å
191L86.4Confident74.1Confident48 Ų4884.7 Ų84.725%0.25148%0.477SS..EExtended strand (participates in β ladder)trans-94.3150.8177.6-54.1176.6000109.8I186 H189 L269 I270I186-L191 HydrophobicContact CG2-CB 4.18Å; I186-L191 WeakPolarHBondContact CG2-O 3.44Å; I186-L191 WeakPolarHBondContact O-CA 3.5Å; I186-L191 PolarHBondContact O-N 2.88Å; H189-L191 HydrophobicContact CB-CD1 4.05Å; H189-L191 HydrophobicContact CB-CG 3.94Å; H189-L191 PolarHBondContact O-N 3.48Å; L191-L269 HydrophobicContact CB-CD1 3.51Å; L191-L269 HydrophobicContact CB-CG 3.96Å; L191-L269 HydrophobicContact CD1-CD1 4.18Å; L191-L269 HydrophobicContact CD1-CD2 3.66Å; L191-L269 HydrophobicContact CD1-CG 3.89Å; L191-L269 HydrophobicContact CG-CD1 4.45Å; L191-L269 HydrophobicContact CG-CG 4.45Å; L191-I270 CarbonylContact C-O 3.6Å; L191-I270 WeakPolarHBondContact CA-O 3.3Å
192V83.8Confident71.5Confident59 Ų5989.6 Ų89.636%0.35850%0.497SS..EExtended strand (participates in β ladder)trans-132.5135.8-179.9-178.10000107.7I270 K272V192-I270 PolarHBondContact N-O 2.77Å; V192-I270 PolarHBondContact O-N 3.04Å; V192-K272 HydrophobicContact CG2-CB 4.04Å; V192-K272 HydrophobicContact CG2-CG 4.33Å
193L81.9Confident69Low71 Ų7187.5 Ų87.537%0.37250%0.504SS..EExtended strand (participates in β ladder)trans-80.2118.5171.1-118.257.5000108.7I186 M267 L269I186-L193 HydrophobicContact CD1-CD1 4.21Å; L193-M267 HydrophobicContact CD2-CE 3.3Å; L193-M267 HydrophobicContact CD2-SD 3.8Å; L193-M267 HydrophobicContact CG-CB 4.22Å; L193-M267 HydrophobicContact CG-CE 4.16Å; L193-M267 HydrophobicContact CG-SD 4.33Å; L193-L269 HydrophobicContact CD1-CB 3.92Å; L193-L269 HydrophobicContact CD1-CD1 3.38Å; L193-L269 HydrophobicContact CD1-CG 4.23Å
194I73.8Confident66.4Low40 Ų4089.6 Ų89.621%0.20552%0.519CS..EExtended strand (participates in β ladder)trans-113.9126.4173.6-53.8177.7000107.8V268 I270 A275I194-V268 PolarHBondContact N-O 3.47Å; I194-V268 PolarHBondContact O-N 3.45Å; I194-I270 HydrophobicContact CD1-CD1 4.02Å; I194-I270 HydrophobicContact CD1-CG1 4.41Å; I194-A275 HydrophobicContact CD1-CB 3.49Å; I194-A275 VanDerWaalsContact CD1-CB 3.49Å; I194-A275 HydrophobicContact CG1-CB 4.3Å
195G67.9Low63.7Low40 Ų4092 Ų9241%0.41254%0.536SS..EExtended strand (participates in β ladder)trans119.8163.1-174.800000110.9E266 M267G195-E266 WeakPolarHBondContact CA-O 3.27Å; G195-M267 WeakPolarHBondContact O-CG 3.24Å
196G57.7Low61Low28 Ų2891.2 Ų91.229%0.28954%0.538SS..SBendtrans102.495.3-136.800000106.1N198 E266G196-N198 PolarHBondContact O-N 3.3Å; G196-E266 PolarHBondContact N-O 3.41Å
197T47.8Very low58.5Low115 Ų11597.4 Ų97.471%0.70657%0.571SS**  trans-52.8116.7166.7470000106.3A199T197-A199 PolarHBondContact O-N 3.23Å
198N45.6Very low56.1Low135 Ų135100.4 Ų100.472%0.72258%0.58SS**G310 helixtrans-62.925.9164.6-61.5-24.5000111.3G196 D200G196-N198 PolarHBondContact O-N 3.3Å; N198-D200 VanDerWaalsContact C-N 3.28Å
199A45Very low53.7Low74 Ų74101.5 Ų101.561%0.61259%0.585SS**G310 helixtrans-75.2-19.4-178.900000111.8T197T197-A199 PolarHBondContact O-N 3.23Å
200D41.3Very low51.3Low133 Ų133103.3 Ų103.371%0.71159%0.594SS**G310 helixtrans-125.844.9176.5-62.1-39000111.9N198 N202N198-D200 VanDerWaalsContact C-N 3.28Å; D200-N202 PolarHBondContact O-N 3.08Å
201D39.2Very low48.9Very low129 Ų129110.3 Ų110.369%0.6962%0.623SS**THydrogen-bonded Turntrans-66.663.9153.7-79.2-23000109.1
202N36Very low46.5Very low146 Ų146112.7 Ų112.778%0.78164%0.64SS**THydrogen-bonded Turntrans-161.60.5161.1-129.3-13.8000116.4D200 T204D200-N202 PolarHBondContact O-N 3.08Å; N202-T204 PolarHBondContact O-N 2.96Å; N202-T204 VanDerWaalsContact O-N 3.07Å; N202-T204 PolarHBondContact O-OG1 2.71Å
203S37.8Very low44.3Very low95 Ų95115.7 Ų115.766%0.66466%0.659SS**SBendtrans-85.975.2164.464.70000109.1L205S203-L205 PolarHBondContact O-N 3.45Å
204T34.8Very low42.2Very low112 Ų112118.8 Ų118.869%0.68768%0.68SS**  trans2.786.8145.2-2.10000113.8N202 S206N202-T204 PolarHBondContact O-N 2.96Å; N202-T204 VanDerWaalsContact O-N 3.07Å; N202-T204 PolarHBondContact O-OG1 2.71Å; T204-S206 WeakPolarHBondContact CG2-OG 3.46Å; T204-S206 PolarHBondContact O-N 2.65Å
205L33.1Very low40.5Very low179 Ų179124.8 Ų124.894%0.93771%0.713SS**  trans-77.156.3161.8-148.387000108.2S203S203-L205 PolarHBondContact O-N 3.45Å
206S34.1Very low39Very low77 Ų77129.2 Ų129.254%0.53873%0.732SS.*  trans-114.560.6173.967.90000108T204T204-S206 WeakPolarHBondContact CG2-OG 3.46Å; T204-S206 PolarHBondContact O-N 2.65Å
207N35.3Very low38Very low157 Ų157135.6 Ų135.684%0.8476%0.759SS**  trans-161.762.2167.9-93.3-15.7000108.1
208M36.7Very low37.5Very low173 Ų173138.4 Ų138.485%0.85277%0.768SS**  trans-129.470.8159.2-157.5-171.4172.200108E210M208-E210 PolarHBondContact O-N 3.25Å
209E35.9Very low36.9Very low174 Ų174137.5 Ų137.581%0.81377%0.772SS**  trans-6493.8157.4-73.4-178.9159.300107.5L211E209-L211 PolarHBondContact O-N 2.97Å
210E37Very low36.5Very low156 Ų156138.8 Ų138.873%0.72978%0.776SS**  21.876.2127.9-157.8170.7-164.600116M208 T212M208-E210 PolarHBondContact O-N 3.25Å; E210-T212 HydrophobicContact CG-CG2 4.32Å; E210-T212 WeakPolarHBondContact CG-OG1 3.48Å; E210-T212 PolarHBondContact O-N 3.08Å
211L36.6Very low35.9Very low176 Ų176138 Ų13892%0.92178%0.777SS**  trans-88.878.9154.6-90.2116.4000108.8E209E209-L211 PolarHBondContact O-N 2.97Å
212T35.4Very low36Very low98 Ų98138 Ų13860%0.60178%0.777SS**  trans-121.26617156.20000110.9E210E210-T212 HydrophobicContact CG-CG2 4.32Å; E210-T212 WeakPolarHBondContact CG-OG1 3.48Å; E210-T212 PolarHBondContact O-N 3.08Å
213T36.5Very low35.7Very low122 Ų122140.6 Ų140.675%0.74878%0.781SS**  trans-16193.6165.637.30000110.2
214T37.9Very low35.5Very low135 Ų135139.5 Ų139.583%0.82878%0.784SS**  trans168.568.3140.253.40000109.2
215N39.4Very low35.2Very low166 Ų166143.9 Ų143.989%0.88879%0.794SS**  trans-142.164.2165.9-107.61.2000108.6
216T36.6Very low35.3Very low134 Ų134140.3 Ų140.382%0.82278%0.784SS**  trans-146.650.3176.6-36.80000111
217L35.8Very low35.3Very low162 Ų162142.5 Ų142.585%0.84879%0.794SS**  trans-169.4107.5155.6-139.762.1000108.9
218I38.3Very low35.2Very low173 Ų173139.8 Ų139.889%0.88779%0.788SS**  trans179.572.2132.8-75.1141.4000104.1
219S32Very low35.5Very low116 Ų116138.7 Ų138.781%0.81179%0.785SS**  trans-100.9117.1149.5-66.20000104.5
220S35.9Very low35.7Very low101 Ų101137.7 Ų137.771%0.70679%0.786SS**  trans163.9105.4145.9-74.40000112
221T28.7Very low36.1Very low118 Ų118135.3 Ų135.372%0.72479%0.786SS**  53.3116.1127.266.80000119.8
222N41.5Very low36.3Very low129 Ų129134.2 Ų134.269%0.6978%0.781SS**  177.2115.9113.7-93-34.9000110.4
223K30.8Very low36.4Very low200 Ų200137.7 Ų137.787%0.8780%0.795SS**  70.1115.1104.8-72.8-177.3-179.2174.70114.7
224G32.4Very low36.7Very low71 Ų71137.5 Ų137.573%0.73279%0.793SS**  trans142.874.5164.700000111
225K30.3Very low36.8Very low205 Ų205139.6 Ų139.689%0.89180%0.796SS**  61.191.691.8-162.1168.6-169.7172.50111.8
226S34.6Very low36.7Very low104 Ų104140.4 Ų140.473%0.72780%0.797SS**  trans-173.9116.1132.5-98.50000112.2
227T33.9Very low36.9Very low122 Ų122141 Ų14175%0.74880%0.795SS**  trans54.193.713764.20000119N229T227-N229 PolarHBondContact O-N 3.08Å
228S33.7Very low36.8Very low100 Ų100136.7 Ų136.770%0.69979%0.79SS**  trans-21.3119.8139.5166.70000114.4
229N42.4Very low36.4Very low151 Ų151136.2 Ų136.281%0.80779%0.788SS**  trans-143.878.5147.5-83-30000107.4T227 S231T227-N229 PolarHBondContact O-N 3.08Å; N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.07Å
230N40.1Very low36.7Very low153 Ų153135.9 Ų135.982%0.81879%0.786SS**  trans-7387.3168-77.9-18.5000108.7
231S44.5Very low36.6Very low105 Ų105137.8 Ų137.873%0.73479%0.788SS**  trans-97.4107.6159.6580000108.4N229 L233N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.07Å; S231-L233 PolarHBondContact O-N 3.41Å; S231-L233 VanDerWaalsContact O-N 3.12Å
232N40.9Very low37.1Very low154 Ų154139.1 Ų139.182%0.82479%0.791SS**  trans-48.2111.8169.2-60.1-44.6000110.2
233L39Very low36.7Very low170 Ų170139.3 Ų139.389%0.8979%0.792SS**  trans-110.789.5163.2-159.965.7000109.3S231S231-L233 PolarHBondContact O-N 3.41Å; S231-L233 VanDerWaalsContact O-N 3.12Å
234V43.3Very low37.2Very low118 Ų118136.6 Ų136.672%0.71579%0.787SS**  trans0.9118.5153-178.60000115.5M236V234-M236 PolarHBondContact O-N 2.88Å
235M39.5Very low37.2Very low180 Ų180140.5 Ų140.589%0.88779%0.791SS**  trans-54.3113.5159-63.5-176.1-87.900109.9
236M37.4Very low37.6Very low182 Ų182138.9 Ų138.990%0.89779%0.786SS**  trans-108.389170.9-154.2165-173.200108.6V234 G238V234-M236 PolarHBondContact O-N 2.88Å; M236-G238 VanDerWaalsContact C-N 3.34Å; M236-G238 PolarHBondContact O-N 2.93Å
237N39.9Very low37.5Very low147 Ų147139.3 Ų139.379%0.78679%0.789SS**  trans-66.192.9165.1-8811.7000108.7L239N237-L239 PolarHBondContact O-N 3.37Å
238G33.5Very low37.6Very low72 Ų72142.6 Ų142.674%0.74279%0.793SS**  trans-88.582.9168.300000110.6M236 S240M236-G238 VanDerWaalsContact C-N 3.34Å; M236-G238 PolarHBondContact O-N 2.93Å; G238-S240 PolarHBondContact O-N 3.05Å
239L30.7Very low37.5Very low163 Ų163143.5 Ų143.585%0.85380%0.799SS**  trans-73.2103.6162.2-71.4158.4000107.9N237N237-L239 PolarHBondContact O-N 3.37Å
240S37.3Very low37.2Very low108 Ų108143.9 Ų143.976%0.75580%0.801SS**  trans-131.1105163.8-760000109.5G238 D242G238-S240 PolarHBondContact O-N 3.05Å; S240-D242 PolarHBondContact O-N 3.41Å
241N33.4Very low36.7Very low141 Ų141141.8 Ų141.875%0.75480%0.799SS**  trans-90.885.5-178.9-170.653000108.2
242D40.2Very low36.2Very low146 Ų146143.7 Ų143.778%0.78180%0.8SS**  trans-98.787.9175.5-82-25.5000110.6S240 N244S240-D242 PolarHBondContact O-N 3.41Å; D242-N244 PolarHBondContact O-N 3.24Å
243N34.1Very low35.8Very low134 Ų134142.7 Ų142.772%0.71779%0.793SS**  trans-61.4112.2158.1-83.1-30000109.2
244N40.1Very low35.7Very low143 Ų143142.5 Ų142.577%0.76579%0.787SS**  trans-138.898.2159.4-94.2-39.8000111.2D242 H246D242-N244 PolarHBondContact O-N 3.24Å; N244-H246 PolarHBondContact O-N 2.9Å
245N32.4Very low35.1Very low152 Ų152144.1 Ų144.181%0.81379%0.787SS**  trans-57112.6161.4-75.5-38000110.1
246H38.1Very low34.8Very low172 Ų172143.1 Ų143.180%0.79679%0.785SS**  trans-137.393.4155.2-88.8-48.8000110.6N244 K248N244-H246 PolarHBondContact O-N 2.9Å; H246-K248 PolarHBondContact O-N 3.28Å; H246-K248 VanDerWaalsContact O-N 3.16Å
247S32.4Very low34.7Very low113 Ų113138 Ų13879%0.7978%0.779SS**  trans-51.5109157.6-43.20000109.8
248K36.8Very low34.8Very low190 Ų190137.8 Ų137.883%0.82678%0.778SS**  trans-137.195.6156.3-89.3-173.9-179.2172.30109.4H246 N250H246-K248 PolarHBondContact O-N 3.28Å; H246-K248 VanDerWaalsContact O-N 3.16Å; K248-N250 PolarHBondContact O-N 3.11Å
249S31.9Very low35.4Very low119 Ų119144 Ų14483%0.83278%0.784SS**  trans-58.296.9166.7-35.80000109.4
250N35.4Very low36.3Very low159 Ų159139.8 Ų139.885%0.8577%0.768SS**  trans-102.594.2163.8-96.80.3000108.3K248 L252K248-N250 PolarHBondContact O-N 3.11Å; N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.08Å
251S29.6Very low36.9Very low109 Ų109139 Ų13976%0.76276%0.763SS**  trans-65.793.2165.8165.30000108.7
252L35.4Very low37.9Very low145 Ų145139.5 Ų139.576%0.75977%0.766SS**  trans-104.7111.9164.7-152.670.6000109.2N250 H254N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.08Å; L252-H254 PolarHBondContact O-N 2.97Å
253I32.4Very low38.6Very low133 Ų133139.3 Ų139.368%0.68276%0.76SS**  trans-62.298.9177.6-65.4156.3000108.1
254H36.5Very low39.7Very low166 Ų166139.9 Ų139.977%0.76976%0.762SS**  trans-12091.2156.3-77.8-61.8000107.9L252L252-H254 PolarHBondContact O-N 2.97Å
255Q30.4Very low40.9Very low152 Ų152136.1 Ų136.171%0.7175%0.746SS**  trans-63.7147.2156.2-67.8179.27.100108.4
256N33.4Very low42.8Very low160 Ų160136 Ų13686%0.85674%0.74SS**  trans92.6110.8166.7-46.1-32.9000115.3
257G35.4Very low44.7Very low73 Ų73132.7 Ų132.775%0.75373%0.726SS**SBendtrans135.988.2162.400000113
258D41.5Very low47Very low143 Ų143130 Ų13077%0.76571%0.705SS**  trans60.376.4143.6-145.25.5000117S260D258-S260 PolarHBondContact O-N 3.03Å
259K45.6Very low49.3Very low203 Ų203125.1 Ų125.188%0.88369%0.687SS**  trans-74.758.7163.5-65.7-177.1-179.2178.70110.1S261K259-S261 PolarHBondContact O-N 3.31Å
260S49.3Very low51.9Low74 Ų74121 Ų12152%0.51766%0.656SS.*  trans-76.670.8149.556.80000106.3D258 N262D258-S260 PolarHBondContact O-N 3.03Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 PolarHBondContact O-N 2.97Å
261S51.7Low54.4Low93 Ų93116.7 Ų116.765%0.6564%0.635SS**  trans-59103.8164.550.70000105.2K259 H263K259-S261 PolarHBondContact O-N 3.31Å; S261-H263 PolarHBondContact O-N 3.03Å
262N53.2Low57.1Low150 Ų150117.3 Ų117.380%0.80262%0.624SS**  trans-58.776.8166.1-71.4-37.6000107S260 L264S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 PolarHBondContact O-N 2.97Å; N262-L264 PolarHBondContact O-N 3.3Å
263H55.1Low59.5Low143 Ų143113.9 Ų113.966%0.66261%0.612SS**  trans-76.288.9174.8-158.7-64.3000104.1S261S261-H263 PolarHBondContact O-N 3.03Å
264L58.3Low62.1Low146 Ų146110 Ų11076%0.76460%0.595SS**  trans-49.7133162.9-76.1155.3000106.3N262 E266N262-L264 PolarHBondContact O-N 3.3Å; L264-E266 PolarHBondContact O-N 3.03Å
265P65.3Low64.4Low64 Ų64102.5 Ų102.542%0.41656%0.561SS.*  trans-53.9132.6178.918.3-28.5000108.8M267P265-M267 HydrophobicContact CB-CG 4.46Å; P265-M267 WeakPolarHBondContact O-CG 3.44Å; P265-M267 PolarHBondContact O-N 3.22Å; P265-M267 VanDerWaalsContact O-N 3.08Å
266E71.4Confident67.1Low150 Ų150100.4 Ų100.470%0.70155%0.552SS**  trans-67.4111.6174.8-164.9169.1-166.400107.3G195 G196 L264G195-E266 WeakPolarHBondContact CA-O 3.27Å; G196-E266 PolarHBondContact N-O 3.41Å; L264-E266 PolarHBondContact O-N 3.03Å
267M77.2Confident69.5Low101 Ų10198.1 Ų98.150%0.49854%0.539SS..EExtended strand (participates in β ladder)trans-116.6139.8179.8-55.5-167.1-58.400109.1L193 G195 P265L193-M267 HydrophobicContact CD2-CE 3.3Å; L193-M267 HydrophobicContact CD2-SD 3.8Å; L193-M267 HydrophobicContact CG-CB 4.22Å; L193-M267 HydrophobicContact CG-CE 4.16Å; L193-M267 HydrophobicContact CG-SD 4.33Å; G195-M267 WeakPolarHBondContact O-CG 3.24Å; P265-M267 HydrophobicContact CB-CG 4.46Å; P265-M267 WeakPolarHBondContact O-CG 3.44Å; P265-M267 PolarHBondContact O-N 3.22Å; P265-M267 VanDerWaalsContact O-N 3.08Å
268V81.9Confident71.7Confident58 Ų5895.4 Ų95.435%0.35251%0.507SS..EExtended strand (participates in β ladder)trans-119.9133.9-178.9-172.80000109.2I194 I270 L286I194-V268 PolarHBondContact N-O 3.47Å; I194-V268 PolarHBondContact O-N 3.45Å; V268-I270 HydrophobicContact CB-CG1 4.46Å; V268-I270 HydrophobicContact CG1-CD1 4.09Å; V268-I270 HydrophobicContact CG1-CG1 3.82Å; V268-L286 HydrophobicContact CB-CD2 3.72Å; V268-L286 HydrophobicContact CG1-CD2 3.66Å; V268-L286 HydrophobicContact CG2-CD2 3.72Å
269L85.1Confident73.7Confident86 Ų8694.4 Ų94.445%0.4550%0.502SS..EExtended strand (participates in β ladder)trans-94117.4178.2-176.670.2000109.6I186 L191 L193I186-L269 HydrophobicContact CB-CD1 4.48Å; I186-L269 HydrophobicContact CD1-CD1 4.29Å; I186-L269 HydrophobicContact CG1-CD1 3.93Å; I186-L269 HydrophobicContact CG2-CD1 3.87Å; L191-L269 HydrophobicContact CB-CD1 3.51Å; L191-L269 HydrophobicContact CB-CG 3.96Å; L191-L269 HydrophobicContact CD1-CD1 4.18Å; L191-L269 HydrophobicContact CD1-CD2 3.66Å; L191-L269 HydrophobicContact CD1-CG 3.89Å; L191-L269 HydrophobicContact CG-CD1 4.45Å; L191-L269 HydrophobicContact CG-CG 4.45Å; L193-L269 HydrophobicContact CD1-CB 3.92Å; L193-L269 HydrophobicContact CD1-CD1 3.38Å; L193-L269 HydrophobicContact CD1-CG 4.23Å
270I85.8Confident75.4Confident34 Ų3490 Ų9017%0.17449%0.492CS..EExtended strand (participates in β ladder)trans-137158.3-178.7-33.2-177.5000109.7L191 V192 I194 V268 T274 L278 L286L191-I270 CarbonylContact C-O 3.6Å; L191-I270 WeakPolarHBondContact CA-O 3.3Å; V192-I270 PolarHBondContact N-O 2.77Å; V192-I270 PolarHBondContact O-N 3.04Å; I194-I270 HydrophobicContact CD1-CD1 4.02Å; I194-I270 HydrophobicContact CD1-CG1 4.41Å; V268-I270 HydrophobicContact CB-CG1 4.46Å; V268-I270 HydrophobicContact CG1-CD1 4.09Å; V268-I270 HydrophobicContact CG1-CG1 3.82Å; I270-T274 WeakPolarHBondContact CG2-OG1 3.37Å; I270-L278 HydrophobicContact CD1-CD1 3.91Å; I270-L286 HydrophobicContact CD1-CD1 3.6Å; I270-L286 HydrophobicContact CD1-CD2 3.69Å; I270-L286 HydrophobicContact CD1-CG 4.31Å
271T88.7Confident76.9Confident68 Ų6887.9 Ų87.942%0.41748%0.475SS..EExtended strand (participates in β ladder)trans-63148.8176.3-48.70000111.4S273 T274 A275T271-S273 VanDerWaalsContact C-N 3.3Å; T271-S273 PolarHBondContact O-N 3.48Å; T271-T274 WeakPolarHBondContact CA-OG1 3.33Å; T271-T274 WeakPolarHBondContact CB-OG1 3.41Å; T271-T274 PolarHBondContact N-OG1 3.08Å; T271-T274 PolarHBondContact O-N 3.04Å; T271-T274 VanDerWaalsContact O-N 3.16Å; T271-T274 PolarHBondContact O-OG1 2.68Å; T271-A275 PolarHBondContact O-N 3.19Å
272K84.8Confident78.1Confident122 Ų12288.7 Ų88.753%0.5348%0.48SS..Hα-helixtrans-54.2-44.5176.6-175178.1176.9-178.80112.9G190 V192 T274 A275 E276G190-K272 WeakPolarHBondContact O-CB 3.47Å; G190-K272 PolarHBondContact O-N 2.88Å; V192-K272 HydrophobicContact CG2-CB 4.04Å; V192-K272 HydrophobicContact CG2-CG 4.33Å; K272-T274 PolarHBondContact O-N 3.4Å; K272-A275 WeakPolarHBondContact O-CB 3.34Å; K272-A275 PolarHBondContact O-N 3.29Å; K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.22Å
273S87.6Confident79.3Confident72 Ų7284.2 Ų84.250%0.50346%0.455SS..Hα-helixtrans-59.3-44.4177.5178.80000112.4T271 E276 L277T271-S273 VanDerWaalsContact C-N 3.3Å; T271-S273 PolarHBondContact O-N 3.48Å; S273-E276 PolarHBondContact O-N 3.1Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 2.85Å; S273-L277 VanDerWaalsContact O-N 3.12Å
274T87Confident80.2Confident52 Ų5283.2 Ų83.232%0.31946%0.459SS..Hα-helixtrans-68.7-36.6175.140.60000112.6I270 T271 K272 E276 L277 L278I270-T274 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T274 WeakPolarHBondContact CA-OG1 3.33Å; T271-T274 WeakPolarHBondContact CB-OG1 3.41Å; T271-T274 PolarHBondContact N-OG1 3.08Å; T271-T274 PolarHBondContact O-N 3.04Å; T271-T274 VanDerWaalsContact O-N 3.16Å; T271-T274 PolarHBondContact O-OG1 2.68Å; K272-T274 PolarHBondContact O-N 3.4Å; T274-E276 VanDerWaalsContact C-N 3.34Å; T274-E276 PolarHBondContact O-N 2.87Å; T274-L277 PolarHBondContact O-N 3.08Å; T274-L278 WeakPolarHBondContact O-CB 3.39Å; T274-L278 WeakPolarHBondContact O-CD1 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.32Å; T274-L278 PolarHBondContact O-N 2.98Å
275A84.6Confident81.4Confident8 Ų879.2 Ų79.27%0.06644%0.44CS..Hα-helixtrans-61.4-42.6174.600000111.8I194 T271 K272 L278 N279I194-A275 HydrophobicContact CD1-CB 3.49Å; I194-A275 VanDerWaalsContact CD1-CB 3.49Å; I194-A275 HydrophobicContact CG1-CB 4.3Å; T271-A275 PolarHBondContact O-N 3.19Å; K272-A275 WeakPolarHBondContact O-CB 3.34Å; K272-A275 PolarHBondContact O-N 3.29Å; A275-L278 PolarHBondContact O-N 3.12Å; A275-N279 WeakPolarHBondContact O-CB 3.49Å; A275-N279 VanDerWaalsContact O-CG 3.29Å; A275-N279 PolarHBondContact O-N 3.01Å; A275-N279 PolarHBondContact O-ND2 2.86Å
276E85.7Confident82.1Confident108 Ų10877.6 Ų77.651%0.50543%0.428SS..Hα-helixtrans-63.4-43.2176.1-72.4169.3-174.100111.8K272 S273 T274 N279 T280K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.22Å; S273-E276 PolarHBondContact O-N 3.1Å; T274-E276 VanDerWaalsContact C-N 3.34Å; T274-E276 PolarHBondContact O-N 2.87Å; E276-N279 PolarHBondContact O-N 3.11Å; E276-T280 WeakPolarHBondContact O-CG2 3.32Å; E276-T280 PolarHBondContact O-N 3.32Å
277L84.4Confident82.7Confident112 Ų11275.3 Ų75.359%0.58642%0.421SS*.Hα-helixtrans-63.4-42.6175.2-69.3172.3000111.9S273 T274 T280S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 2.85Å; S273-L277 VanDerWaalsContact O-N 3.12Å; T274-L277 PolarHBondContact O-N 3.08Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-OG1 3.12Å
278L82.1Confident83.2Confident17 Ų1775.4 Ų75.49%0.08942%0.418CS..Hα-helixtrans-66.8-35.8179.4-73.6169.5000112.3I270 T274 A275 T280 L281 L286 Q289 L293I270-L278 HydrophobicContact CD1-CD1 3.91Å; T274-L278 WeakPolarHBondContact O-CB 3.39Å; T274-L278 WeakPolarHBondContact O-CD1 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.32Å; T274-L278 PolarHBondContact O-N 2.98Å; A275-L278 PolarHBondContact O-N 3.12Å; L278-T280 PolarHBondContact O-N 3.38Å; L278-L281 WeakPolarHBondContact O-CB 3.45Å; L278-L281 PolarHBondContact O-N 2.94Å; L278-L286 HydrophobicContact CD1-CD1 3.4Å; L278-L286 VanDerWaalsContact CD1-CD1 3.4Å; L278-L286 HydrophobicContact CD2-CD1 4.32Å; L278-L286 HydrophobicContact CG-CD1 4.42Å; L278-Q289 HydrophobicContact CD2-CB 4.03Å; L278-Q289 PolarHBondContact O-NE2 3.08Å; L278-L293 HydrophobicContact CD2-CD1 4.11Å
279N82.1Confident83.3Confident121 Ų12173.4 Ų73.465%0.64741%0.405SS*.THydrogen-bonded Turntrans-66.9-14174.4-76.6-20.6000114A275 E276 L281A275-N279 WeakPolarHBondContact O-CB 3.49Å; A275-N279 VanDerWaalsContact O-CG 3.29Å; A275-N279 PolarHBondContact O-N 3.01Å; A275-N279 PolarHBondContact O-ND2 2.86Å; E276-N279 PolarHBondContact O-N 3.11Å; N279-L281 VanDerWaalsContact C-N 3.26Å
280T82.6Confident83.3Confident112 Ų11272.4 Ų72.469%0.68740%0.399SS*.THydrogen-bonded Turntrans-75.6-17.2172.170.70000112.7E276 L277 L278E276-T280 WeakPolarHBondContact O-CG2 3.32Å; E276-T280 PolarHBondContact O-N 3.32Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-OG1 3.12Å; L278-T280 PolarHBondContact O-N 3.38Å
281L81.2Confident83.5Confident28 Ų2877 Ų7715%0.14742%0.421CS..SBendtrans-83.4142173.8-100.961.8000110.9L278 N279 E283 Q289 Q292 L293L278-L281 WeakPolarHBondContact O-CB 3.45Å; L278-L281 PolarHBondContact O-N 2.94Å; N279-L281 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.31Å; L281-Q289 HydrophobicContact CB-CB 4.47Å; L281-Q289 HydrophobicContact CB-CG 4.07Å; L281-Q289 HydrophobicContact CD2-CB 3.96Å; L281-Q289 HydrophobicContact CD2-CG 4.4Å; L281-Q289 WeakPolarHBondContact CD2-O 3.49Å; L281-Q292 HydrophobicContact CD2-CB 3.85Å; L281-Q292 HydrophobicContact CD2-CG 3.97Å; L281-Q292 VanDerWaalsContact CD2-OE1 3.27Å; L281-Q292 HydrophobicContact CG-CG 4.44Å; L281-Q292 VanDerWaalsContact CG-OE1 3.24Å; L281-L293 HydrophobicContact CD1-CD2 4.01Å; L281-L293 HydrophobicContact CD2-CD2 4.02Å; L281-L293 HydrophobicContact CD2-CG 3.83Å
282S76.9Confident83.4Confident110 Ų11076.7 Ų76.777%0.76941%0.414SS*.  trans-76.1-3.6-178.755.30000114.4
283E77.9Confident83.7Confident57 Ų5774.3 Ų74.327%0.26641%0.407SS..  trans-84146.3-172.8-74.2179.1171.400112.9L281 K288 Q289 Q292L281-E283 PolarHBondContact O-N 3.31Å; E283-K288 HydrophobicContact CB-CB 3.99Å; E283-K288 HydrophobicContact CG-CB 4.39Å; E283-K288 WeakPolarHBondContact OE2-CA 3.4Å; E283-K288 WeakPolarHBondContact OE2-CB 3.35Å; E283-Q289 HydrophobicContact CB-CG 3.74Å; E283-Q289 PolarHBondContact O-NE2 3.04Å; E283-Q289 VanDerWaalsContact OE2-CA 3.25Å; E283-Q289 WeakPolarHBondContact OE2-CA 3.31Å; E283-Q289 PolarHBondContact OE2-N 3.08Å; E283-Q292 VanDerWaalsContact CD-CB 3.44Å; E283-Q292 WeakPolarHBondContact OE1-CB 3.49Å; E283-Q292 PolarHBondContact OE1-OE1 3.09Å; E283-Q292 WeakPolarHBondContact OE2-CB 2.89Å; E283-Q292 PolarHBondContact OE2-OE1 3.39Å
284T74.9Confident83.9Confident121 Ų12177.6 Ų77.674%0.74241%0.412SS*.SBendtrans-83.2-25.3-164.958.90000114.4
285T81.8Confident84.2Confident62 Ų6278 Ų7838%0.3842%0.418SS..SBendtrans-122.7147.3-177.361.60000109.7D287 K288 Q289T285-D287 PolarHBondContact O-N 3.39Å; T285-K288 PolarHBondContact O-N 3.49Å; T285-K288 VanDerWaalsContact O-N 3.08Å; T285-K288 WeakPolarHBondContact OG1-CB 3.34Å; T285-K288 WeakPolarHBondContact OG1-CD 3.42Å; T285-K288 WeakPolarHBondContact OG1-CG 3.39Å; T285-K288 PolarHBondContact OG1-N 2.88Å; T285-Q289 WeakPolarHBondContact O-CG 3.24Å; T285-Q289 PolarHBondContact O-N 2.88Å
286L81.4Confident84.5Confident30 Ų3082.1 Ų82.116%0.15744%0.436CS..Hα-helixtrans-53.1-44.8178.517966.9000111.8V268 I270 L278 K288 Q289 I290V268-L286 HydrophobicContact CB-CD2 3.72Å; V268-L286 HydrophobicContact CG1-CD2 3.66Å; V268-L286 HydrophobicContact CG2-CD2 3.72Å; I270-L286 HydrophobicContact CD1-CD1 3.6Å; I270-L286 HydrophobicContact CD1-CD2 3.69Å; I270-L286 HydrophobicContact CD1-CG 4.31Å; L278-L286 HydrophobicContact CD1-CD1 3.4Å; L278-L286 VanDerWaalsContact CD1-CD1 3.4Å; L278-L286 HydrophobicContact CD2-CD1 4.32Å; L278-L286 HydrophobicContact CG-CD1 4.42Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.91Å; L286-Q289 WeakPolarHBondContact O-CB 3.33Å; L286-Q289 PolarHBondContact O-N 3.42Å; L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.5Å; L286-I290 HydrophobicContact CG-CD1 3.94Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 3.03Å
287D84.4Confident84.9Confident102 Ų10284 Ų8455%0.54544%0.439SS..Hα-helixtrans-63.4-37.4-179.9-68.7-35.5000113.1T285 Q291T285-D287 PolarHBondContact O-N 3.39Å; D287-Q291 VanDerWaalsContact O-CG 3.28Å; D287-Q291 WeakPolarHBondContact O-CG 3.28Å; D287-Q291 PolarHBondContact O-N 3.43Å
288K85.8Confident85.4Confident103 Ų10382.3 Ų82.345%0.44844%0.437SS..Hα-helixtrans-65-52174.1-73.8177.4-175.6-179.80108.5E283 T285 L286 I290 Q291 Q292E283-K288 HydrophobicContact CB-CB 3.99Å; E283-K288 HydrophobicContact CG-CB 4.39Å; E283-K288 WeakPolarHBondContact OE2-CA 3.4Å; E283-K288 WeakPolarHBondContact OE2-CB 3.35Å; T285-K288 PolarHBondContact O-N 3.49Å; T285-K288 VanDerWaalsContact O-N 3.08Å; T285-K288 WeakPolarHBondContact OG1-CB 3.34Å; T285-K288 WeakPolarHBondContact OG1-CD 3.42Å; T285-K288 WeakPolarHBondContact OG1-CG 3.39Å; T285-K288 PolarHBondContact OG1-N 2.88Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.91Å; K288-I290 CarbonylContact O-C 3.56Å; K288-I290 PolarHBondContact O-N 2.92Å; K288-I290 VanDerWaalsContact O-N 3.09Å; K288-Q291 CarbonylContact O-C 3.55Å; K288-Q291 VanDerWaalsContact O-CA 3.3Å; K288-Q291 WeakPolarHBondContact O-CA 3.25Å; K288-Q291 VanDerWaalsContact O-CB 3.29Å; K288-Q291 WeakPolarHBondContact O-CB 3.43Å; K288-Q291 PolarHBondContact O-N 3.4Å; K288-Q292 PolarHBondContact O-N 3.35Å
289Q84.6Confident86Confident16 Ų1687.6 Ų87.68%0.07546%0.461CS..Hα-helixtrans-53-40.9-178.7-68.7173.6-17.200111.6L278 L281 E283 T285 L286 Q292 L293L278-Q289 HydrophobicContact CD2-CB 4.03Å; L278-Q289 PolarHBondContact O-NE2 3.08Å; L281-Q289 HydrophobicContact CB-CB 4.47Å; L281-Q289 HydrophobicContact CB-CG 4.07Å; L281-Q289 HydrophobicContact CD2-CB 3.96Å; L281-Q289 HydrophobicContact CD2-CG 4.4Å; L281-Q289 WeakPolarHBondContact CD2-O 3.49Å; E283-Q289 HydrophobicContact CB-CG 3.74Å; E283-Q289 PolarHBondContact O-NE2 3.04Å; E283-Q289 VanDerWaalsContact OE2-CA 3.25Å; E283-Q289 WeakPolarHBondContact OE2-CA 3.31Å; E283-Q289 PolarHBondContact OE2-N 3.08Å; T285-Q289 WeakPolarHBondContact O-CG 3.24Å; T285-Q289 PolarHBondContact O-N 2.88Å; L286-Q289 WeakPolarHBondContact O-CB 3.33Å; L286-Q289 PolarHBondContact O-N 3.42Å; Q289-Q292 PolarHBondContact O-N 3.07Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 2.77Å
290I85.5Confident86.6Confident65 Ų6586.7 Ų86.733%0.33346%0.455SS..Hα-helixtrans-62.1-48.4173.5-67.7167.9000111.1L286 K288 Q292 L293 F294L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.5Å; L286-I290 HydrophobicContact CG-CD1 3.94Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 3.03Å; K288-I290 CarbonylContact O-C 3.56Å; K288-I290 PolarHBondContact O-N 2.92Å; K288-I290 VanDerWaalsContact O-N 3.09Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 3.02Å; I290-L293 PolarHBondContact O-N 3.43Å; I290-F294 HydrophobicContact CG2-CD2 3.77Å; I290-F294 HydrophobicContact CG2-CE2 3.64Å; I290-F294 VanDerWaalsContact O-CD2 3.24Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.35Å
291Q89.3Confident87.3Confident132 Ų13284.5 Ų84.562%0.61744%0.439SS*.Hα-helixtrans-58.5-40.3176-70.4171.324.700112.6D287 K288 F294 S295D287-Q291 VanDerWaalsContact O-CG 3.28Å; D287-Q291 WeakPolarHBondContact O-CG 3.28Å; D287-Q291 PolarHBondContact O-N 3.43Å; K288-Q291 CarbonylContact O-C 3.55Å; K288-Q291 VanDerWaalsContact O-CA 3.3Å; K288-Q291 WeakPolarHBondContact O-CA 3.25Å; K288-Q291 VanDerWaalsContact O-CB 3.29Å; K288-Q291 WeakPolarHBondContact O-CB 3.43Å; K288-Q291 PolarHBondContact O-N 3.4Å; Q291-F294 PolarHBondContact O-N 3.02Å; Q291-S295 PolarHBondContact O-N 3.01Å
292Q87.9Confident88Confident61 Ų6185.7 Ų85.729%0.28545%0.454SS..Hα-helixtrans-64.8-41.1175.9-175.5176.620.400112.2L281 E283 K288 Q289 I290 F294 S295 M296L281-Q292 HydrophobicContact CD2-CB 3.85Å; L281-Q292 HydrophobicContact CD2-CG 3.97Å; L281-Q292 VanDerWaalsContact CD2-OE1 3.27Å; L281-Q292 HydrophobicContact CG-CG 4.44Å; L281-Q292 VanDerWaalsContact CG-OE1 3.24Å; E283-Q292 VanDerWaalsContact CD-CB 3.44Å; E283-Q292 WeakPolarHBondContact OE1-CB 3.49Å; E283-Q292 PolarHBondContact OE1-OE1 3.09Å; E283-Q292 WeakPolarHBondContact OE2-CB 2.89Å; E283-Q292 PolarHBondContact OE2-OE1 3.39Å; K288-Q292 PolarHBondContact O-N 3.35Å; Q289-Q292 PolarHBondContact O-N 3.07Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 3.02Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 3.38Å; Q292-S295 PolarHBondContact O-N 3.18Å; Q292-M296 WeakPolarHBondContact O-CB 3.35Å; Q292-M296 PolarHBondContact O-N 3.02Å
293L89.7Confident88.9Confident71 Ų7185.8 Ų85.837%0.37244%0.437SS..Hα-helixtrans-61.3-39.4173.3-70.3176.2000111.7L278 L281 Q289 I290 M296 R297L278-L293 HydrophobicContact CD2-CD1 4.11Å; L281-L293 HydrophobicContact CD1-CD2 4.01Å; L281-L293 HydrophobicContact CD2-CD2 4.02Å; L281-L293 HydrophobicContact CD2-CG 3.83Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 2.77Å; I290-L293 PolarHBondContact O-N 3.43Å; L293-M296 HydrophobicContact CD2-CE 3.87Å; L293-R297 VanDerWaalsContact O-CB 3.29Å; L293-R297 WeakPolarHBondContact O-CB 3.45Å; L293-R297 PolarHBondContact O-N 3.04Å
294F92.7Very high89.8Confident141 Ų14186.6 Ų86.662%0.61845%0.446SS*.Hα-helixtrans-66.1-40.6174.1-84-74.1000112.7I290 Q291 Q292 R297 S298I290-F294 HydrophobicContact CG2-CD2 3.77Å; I290-F294 HydrophobicContact CG2-CE2 3.64Å; I290-F294 VanDerWaalsContact O-CD2 3.24Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.35Å; Q291-F294 PolarHBondContact O-N 3.02Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 3.38Å; F294-R297 PolarHBondContact O-N 3.31Å; F294-S298 PolarHBondContact O-N 2.98Å
295S91.9Very high90.8Very high62 Ų6287.4 Ų87.443%0.43444%0.441SS..Hα-helixtrans-63-50.1175.3-167.10000111.4Q291 Q292 R297 S298 E299Q291-S295 PolarHBondContact O-N 3.01Å; Q292-S295 PolarHBondContact O-N 3.18Å; S295-R297 VanDerWaalsContact C-N 3.3Å; S295-R297 PolarHBondContact O-N 2.81Å; S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.3Å; S295-E299 PolarHBondContact O-N 2.9Å
296M91.1Very high91.4Very high93 Ų9388.8 Ų88.846%0.45844%0.443SS..Hα-helixtrans-61.3-38.6178.8-174.2174.968.400111.8Q292 L293 E299 L300Q292-M296 WeakPolarHBondContact O-CB 3.35Å; Q292-M296 PolarHBondContact O-N 3.02Å; L293-M296 HydrophobicContact CD2-CE 3.87Å; M296-E299 PolarHBondContact O-N 3.41Å; M296-L300 HydrophobicContact CG-CD1 4.29Å; M296-L300 WeakPolarHBondContact O-CB 3.38Å; M296-L300 WeakPolarHBondContact O-CG 3.45Å; M296-L300 PolarHBondContact O-N 2.85Å
297R94Very high92Very high148 Ų14890.7 Ų90.756%0.55845%0.453SS*.Hα-helixtrans-61.6-44.2172.7-175.1-174.9176.2-67.6-11.2111.4L293 F294 S295 E299 L300 D301L293-R297 VanDerWaalsContact O-CB 3.29Å; L293-R297 WeakPolarHBondContact O-CB 3.45Å; L293-R297 PolarHBondContact O-N 3.04Å; F294-R297 PolarHBondContact O-N 3.31Å; S295-R297 VanDerWaalsContact C-N 3.3Å; S295-R297 PolarHBondContact O-N 2.81Å; R297-E299 VanDerWaalsContact C-N 3.33Å; R297-E299 PolarHBondContact O-N 3.24Å; R297-L300 PolarHBondContact O-N 3.42Å; R297-D301 IonicContact CZ-OD2 3.75Å; R297-D301 IonicContact NH1-OD2 2.85Å; R297-D301 PolarHBondContact NH1-OD2 2.92Å; R297-D301 IonicContact NH2-OD2 2.78Å; R297-D301 WeakPolarHBondContact O-CB 3.45Å; R297-D301 VanDerWaalsContact O-CG 3.32Å; R297-D301 PolarHBondContact O-N 3.36Å
298S94.9Very high92.4Very high77 Ų7790 Ų9054%0.53845%0.447SS..Hα-helixtrans-63.1-37.8178-169.10000112.7F294 S295 A302F294-S298 PolarHBondContact O-N 2.98Å; S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.3Å; S298-A302 PolarHBondContact O-N 3.49Å; S298-A302 VanDerWaalsContact O-N 3.12Å
299E95.4Very high92.7Very high128 Ų12888.4 Ų88.460%0.59845%0.448SS*.Hα-helixtrans-68.9-42176.2-71172.8-15700112.1S295 M296 R297 A302 R303S295-E299 PolarHBondContact O-N 2.9Å; M296-E299 PolarHBondContact O-N 3.41Å; R297-E299 VanDerWaalsContact C-N 3.33Å; R297-E299 PolarHBondContact O-N 3.24Å; E299-A302 PolarHBondContact O-N 3.45Å; E299-R303 PolarHBondContact O-N 3.37Å
300L95.5Very high93Very high101 Ų10191.4 Ų91.453%0.52946%0.462SS..Hα-helixtrans-64.2-42.8175.1-78.7167.8000111.7M296 R297 A302 R303 V304M296-L300 HydrophobicContact CG-CD1 4.29Å; M296-L300 WeakPolarHBondContact O-CB 3.38Å; M296-L300 WeakPolarHBondContact O-CG 3.45Å; M296-L300 PolarHBondContact O-N 2.85Å; R297-L300 PolarHBondContact O-N 3.42Å; L300-A302 VanDerWaalsContact C-N 3.33Å; L300-A302 PolarHBondContact O-N 3.49Å; L300-R303 PolarHBondContact O-N 2.88Å; L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.47Å
301D96.4Very high93.1Very high66 Ų6693.7 Ų93.735%0.35347%0.474SS..Hα-helixtrans-58.4-45.9175.3-75.5-22.1000110.3R297 R303 V304 E305R297-D301 IonicContact CZ-OD2 3.75Å; R297-D301 IonicContact NH1-OD2 2.85Å; R297-D301 PolarHBondContact NH1-OD2 2.92Å; R297-D301 IonicContact NH2-OD2 2.78Å; R297-D301 WeakPolarHBondContact O-CB 3.45Å; R297-D301 VanDerWaalsContact O-CG 3.32Å; R297-D301 PolarHBondContact O-N 3.36Å; D301-R303 PolarHBondContact O-N 3.02Å; D301-V304 PolarHBondContact O-N 2.95Å; D301-E305 WeakPolarHBondContact O-CG 3.42Å; D301-E305 PolarHBondContact O-N 2.87Å
302A95.7Very high92.9Very high54 Ų5494.1 Ų94.145%0.44647%0.471SS..Hα-helixtrans-62.4-39.4175.600000112.8S298 E299 L300 E305 E306S298-A302 PolarHBondContact O-N 3.49Å; S298-A302 VanDerWaalsContact O-N 3.12Å; E299-A302 PolarHBondContact O-N 3.45Å; L300-A302 VanDerWaalsContact C-N 3.33Å; L300-A302 PolarHBondContact O-N 3.49Å; A302-E305 PolarHBondContact O-N 3.47Å; A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 PolarHBondContact O-N 3.06Å
303R96.4Very high92.7Very high112 Ų11295.9 Ų95.942%0.42348%0.479SS..Hα-helixtrans-68.4-36.7176.7-176.956.2177.4167.32.6112.1E299 L300 D301 E306 L307E299-R303 PolarHBondContact O-N 3.37Å; L300-R303 PolarHBondContact O-N 2.88Å; D301-R303 PolarHBondContact O-N 3.02Å; R303-E306 IonicContact CZ-OE2 3.79Å; R303-E306 IonicContact NH1-OE1 3.13Å; R303-E306 PolarHBondContact NH1-OE1 2.85Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 3.49Å; R303-E306 PolarHBondContact O-N 3.27Å; R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.42Å; R303-L307 WeakPolarHBondContact O-CB 3.36Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.42Å
304V95.9Very high92Very high74 Ų7496.9 Ų96.945%0.44848%0.481SS..Hα-helixtrans-64.9-47174.1170.30000109.8L300 D301 E306 L307 E308L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.47Å; D301-V304 PolarHBondContact O-N 2.95Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 3.31Å; V304-L307 PolarHBondContact O-N 2.68Å; V304-E308 HydrophobicContact CG1-CG 4.33Å; V304-E308 WeakPolarHBondContact O-CB 3.37Å; V304-E308 VanDerWaalsContact O-CG 3.31Å; V304-E308 WeakPolarHBondContact O-CG 3.46Å; V304-E308 PolarHBondContact O-N 3.03Å
305E95.4Very high91.2Very high138 Ų13899.7 Ų99.765%0.64549%0.488SS*.Hα-helixtrans-58.9-42.1175.5-73.3-176.3175.800112.2D301 A302 S309D301-E305 WeakPolarHBondContact O-CG 3.42Å; D301-E305 PolarHBondContact O-N 2.87Å; A302-E305 PolarHBondContact O-N 3.47Å; E305-S309 WeakPolarHBondContact O-CB 3.34Å; E305-S309 PolarHBondContact O-N 3.26Å
306E95.1Very high90.4Very high90 Ų90104.6 Ų104.642%0.42150%0.501SS..Hα-helixtrans-63.8-48.9176-168.5-164.8172.300111.7A302 R303 V304 E308 S309 Q310A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 PolarHBondContact O-N 3.06Å; R303-E306 IonicContact CZ-OE2 3.79Å; R303-E306 IonicContact NH1-OE1 3.13Å; R303-E306 PolarHBondContact NH1-OE1 2.85Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 3.49Å; R303-E306 PolarHBondContact O-N 3.27Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 3.31Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.78Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.15Å; E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 PolarHBondContact OE1-NE2 3.4Å
307L93.6Very high89.1Confident70 Ų70107.5 Ų107.537%0.36651%0.507SS..Hα-helixtrans-63.3-39.3178.3-76.8172.6000111.8R303 V304 S309 Q310 L311R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.42Å; R303-L307 WeakPolarHBondContact O-CB 3.36Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.42Å; V304-L307 PolarHBondContact O-N 2.68Å; L307-S309 VanDerWaalsContact C-N 3.33Å; L307-Q310 PolarHBondContact O-N 3.21Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.63Å
308E93.1Very high87.1Confident89 Ų89108.2 Ų108.242%0.41652%0.515SS..Hα-helixtrans-64.5-39173.4-74.2-169.7173.200111.7V304 E306 L311 R312V304-E308 HydrophobicContact CG1-CG 4.33Å; V304-E308 WeakPolarHBondContact O-CB 3.37Å; V304-E308 VanDerWaalsContact O-CG 3.31Å; V304-E308 WeakPolarHBondContact O-CG 3.46Å; V304-E308 PolarHBondContact O-N 3.03Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.78Å; E308-L311 PolarHBondContact O-N 2.94Å; E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 3Å; E308-R312 PolarHBondContact O-NH1 3.44Å; E308-R312 IonicContact OE2-CZ 3.36Å; E308-R312 IonicContact OE2-NH1 2.72Å; E308-R312 IonicContact OE2-NH2 3.71Å; E308-R312 PolarHBondContact OE2-NH2 2.96Å
309S91.4Very high85Confident69 Ų69112.8 Ų112.848%0.48353%0.528SS..Hα-helixtrans-61.7-47.6173.2-171.90000111.3E305 E306 L307 L311 R312 E313E305-S309 WeakPolarHBondContact O-CB 3.34Å; E305-S309 PolarHBondContact O-N 3.26Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.15Å; L307-S309 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.43Å; S309-R312 WeakPolarHBondContact O-CB 3.36Å; S309-R312 PolarHBondContact O-N 2.9Å; S309-E313 PolarHBondContact O-N 3.49Å
310Q91.8Very high82.6Confident79 Ų79109.8 Ų109.837%0.36953%0.525SS..Hα-helixtrans-61.9-42.3176.6-70.817610.400112E306 L307 R312 E313 E314E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 PolarHBondContact OE1-NE2 3.4Å; L307-Q310 PolarHBondContact O-N 3.21Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 3.42Å; Q310-E313 PolarHBondContact O-N 3.03Å; Q310-E313 VanDerWaalsContact O-N 3.16Å; Q310-E314 PolarHBondContact O-N 3.03Å
311L87.2Confident79.9Confident112 Ų112111.1 Ų111.159%0.58654%0.539SS*.Hα-helixtrans-64.8-36.5175.3-76.8175.3000112.1L307 E308 S309 E313 R315L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.63Å; E308-L311 PolarHBondContact O-N 2.94Å; S309-L311 PolarHBondContact O-N 3.43Å; L311-E313 VanDerWaalsContact C-N 3.34Å; L311-R315 WeakPolarHBondContact O-CB 3.26Å; L311-R315 VanDerWaalsContact O-CG 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.44Å; L311-R315 PolarHBondContact O-N 3.44Å
312R85.7Confident77Confident142 Ų142112 Ų11254%0.53656%0.556SS.*Hα-helixtrans-65.8-36.7172.4-72.5176.3-162105.73.3111.4E308 S309 Q310 K316E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 3Å; E308-R312 PolarHBondContact O-NH1 3.44Å; E308-R312 IonicContact OE2-CZ 3.36Å; E308-R312 IonicContact OE2-NH1 2.72Å; E308-R312 IonicContact OE2-NH2 3.71Å; E308-R312 PolarHBondContact OE2-NH2 2.96Å; S309-R312 WeakPolarHBondContact O-CB 3.36Å; S309-R312 PolarHBondContact O-N 2.9Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 3.42Å; R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 3.31Å
313E83.4Confident74.4Confident97 Ų97115.9 Ų115.945%0.45357%0.574SS.*Hα-helixtrans-70.2-47.3175.2-168.7-175.4159.200112.1S309 Q310 L311 R315 K316 R317S309-E313 PolarHBondContact O-N 3.49Å; Q310-E313 PolarHBondContact O-N 3.03Å; Q310-E313 VanDerWaalsContact O-N 3.16Å; L311-E313 VanDerWaalsContact C-N 3.34Å; E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 2.82Å; E313-K316 CarbonylContact O-C 3.58Å; E313-K316 WeakPolarHBondContact O-CA 3.48Å; E313-K316 WeakPolarHBondContact O-CB 3.48Å; E313-K316 PolarHBondContact O-N 2.85Å; E313-R317 PolarHBondContact O-N 3.28Å; E313-R317 IonicContact OE1-CZ 3.41Å; E313-R317 IonicContact OE1-NE 3.1Å; E313-R317 PolarHBondContact OE1-NE 2.99Å; E313-R317 VanDerWaalsContact OE1-NE 3.1Å; E313-R317 IonicContact OE1-NH2 2.8Å; E313-R317 PolarHBondContact OE1-NH2 3.44Å
314E75.6Confident71.7Confident92 Ų92120 Ų12043%0.4359%0.59SS.*Hα-helixtrans-61.1-39.3177.1-85.3-67.1146.200111.7Q310 K316 R317 F318Q310-E314 PolarHBondContact O-N 3.03Å; E314-K316 VanDerWaalsContact C-N 3.26Å; E314-K316 PolarHBondContact O-N 3.06Å; E314-R317 CarbonylContact O-C 3.6Å; E314-R317 PolarHBondContact O-N 3.4Å; E314-R317 VanDerWaalsContact O-N 3.08Å; E314-F318 WeakPolarHBondContact O-CB 3.47Å; E314-F318 PolarHBondContact O-N 3Å
315R75.9Confident69.1Low201 Ų201126.8 Ų126.876%0.75861%0.609SS**Hα-helixtrans-59.9-35.9172.5-78.8180177.7-161.91.5112.4L311 E313L311-R315 WeakPolarHBondContact O-CB 3.26Å; L311-R315 VanDerWaalsContact O-CG 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.44Å; L311-R315 PolarHBondContact O-N 3.44Å; E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 2.82Å
316K75.4Confident66.4Low164 Ų164127.6 Ų127.671%0.71362%0.618SS**Hα-helixtrans-72.1-34.3173-67.5172.8-177.7-179.60112.3R312 E313 E314R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 3.31Å; E313-K316 CarbonylContact O-C 3.58Å; E313-K316 WeakPolarHBondContact O-CA 3.48Å; E313-K316 WeakPolarHBondContact O-CB 3.48Å; E313-K316 PolarHBondContact O-N 2.85Å; E314-K316 VanDerWaalsContact C-N 3.26Å; E314-K316 PolarHBondContact O-N 3.06Å
317R62.5Low64.3Low154 Ų154127.3 Ų127.358%0.58163%0.626SS**Hα-helixtrans-72.8-30.7175.4-68.9-169.6-177.2-117.83.7112.9E313 E314 E319 A320E313-R317 PolarHBondContact O-N 3.28Å; E313-R317 IonicContact OE1-CZ 3.41Å; E313-R317 IonicContact OE1-NE 3.1Å; E313-R317 PolarHBondContact OE1-NE 2.99Å; E313-R317 VanDerWaalsContact OE1-NE 3.1Å; E313-R317 IonicContact OE1-NH2 2.8Å; E313-R317 PolarHBondContact OE1-NH2 3.44Å; E314-R317 CarbonylContact O-C 3.6Å; E314-R317 PolarHBondContact O-N 3.4Å; E314-R317 VanDerWaalsContact O-N 3.08Å; R317-E319 PolarHBondContact O-N 3.18Å; R317-A320 WeakPolarHBondContact O-CA 3.36Å; R317-A320 WeakPolarHBondContact O-CB 3.3Å; R317-A320 PolarHBondContact O-N 3.08Å
318F52.9Low62.3Low163 Ų163131.7 Ų131.772%0.71564%0.642SS**Hα-helixtrans-73.1-16.6178.3-141.3-91.2000112.8E314 A320E314-F318 WeakPolarHBondContact O-CB 3.47Å; E314-F318 PolarHBondContact O-N 3Å; F318-A320 PolarHBondContact O-N 2.91Å
319E50.7Low60.3Low174 Ų174133.4 Ų133.481%0.81365%0.654SS**THydrogen-bonded Turntrans-72.4-6.1162.7-69.1-169.7171.400112.7R317R317-E319 PolarHBondContact O-N 3.18Å
320A44.8Very low58.6Low65 Ų65140.5 Ų140.554%0.53767%0.67SS.*SBendtrans-88.9125.3168.900000110.7R317 F318R317-A320 WeakPolarHBondContact O-CA 3.36Å; R317-A320 WeakPolarHBondContact O-CB 3.3Å; R317-A320 PolarHBondContact O-N 3.08Å; F318-A320 PolarHBondContact O-N 2.91Å
321P37.9Very low57Low128 Ų128140 Ų14083%0.83167%0.673SS**  trans-71.2136-174.5-1830.8000114.3
322A36.6Very low55.9Low85 Ų85139.1 Ų139.170%0.70267%0.668SS**  trans96.5147.2140.200000120.4
323T41Very low54.9Low136 Ų136137.3 Ų137.383%0.83467%0.668SS**  trans9275.7163.573.20000118.1
324R39.5Very low54.2Low198 Ų198135.1 Ų135.175%0.74767%0.667SS**  trans-142.895.8159.1-70-171.3-174.7171.84.8111.1
325Y40.7Very low54.3Low216 Ų216135 Ų13585%0.84767%0.668SS**  trans-148.470.7162.7-144.9-83.8000109.4
326D39.5Very low54.4Low155 Ų155128.7 Ų128.783%0.82965%0.652SS**SBendtrans-166-5.9160.4-100.8-29.1000114.7K328D326-K328 VanDerWaalsContact C-N 3.34Å; D326-K328 PolarHBondContact O-N 3.32Å
327S51.8Low54.8Low85 Ų85125.5 Ų125.559%0.59464%0.64SS**THydrogen-bonded Turntrans-73.3-16.5-179.5-53.90000115.7N329 T331S327-N329 PolarHBondContact O-N 2.88Å; S327-T331 PolarHBondContact O-OG1 3.47Å; S327-T331 VanDerWaalsContact O-OG1 3.13Å
328K50.8Low55.8Low161 Ų161123.3 Ų123.370%0.764%0.64SS**Hα-helixtrans-74.8-26.7-166.7-71.3-176.5177.6178.50114.8D326 T331 N332D326-K328 VanDerWaalsContact C-N 3.34Å; D326-K328 PolarHBondContact O-N 3.32Å; K328-T331 PolarHBondContact O-OG1 3.4Å; K328-N332 PolarHBondContact O-N 3.45Å; K328-N332 PolarHBondContact O-ND2 3.5Å
329N51.6Low57.4Low125 Ų125120.2 Ų120.267%0.66863%0.63SS**Hα-helixtrans-83.1-31.2-174.6-141.839.5000112.9S327S327-N329 PolarHBondContact O-N 2.88Å
330R54.6Low59.2Low218 Ų218117.6 Ų117.682%0.82362%0.615SS**Hα-helixtrans-73.4-38.3176.4-125.7-179-170.7-167.82.4112.2I333 A334R330-I333 PolarHBondContact O-N 2.9Å; R330-A334 PolarHBondContact O-N 3.41Å
331T59.2Low61.3Low69 Ų69121 Ų12142%0.42362%0.62SS.*Hα-helixtrans-65.8-38.5177.847.10000112S327 K328 I333 A334 I335S327-T331 PolarHBondContact O-OG1 3.47Å; S327-T331 VanDerWaalsContact O-OG1 3.13Å; K328-T331 PolarHBondContact O-OG1 3.4Å; T331-I333 PolarHBondContact O-N 2.92Å; T331-A334 PolarHBondContact O-N 3.12Å; T331-I335 WeakPolarHBondContact O-CB 3.38Å; T331-I335 WeakPolarHBondContact O-CD1 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.29Å; T331-I335 PolarHBondContact O-N 3.5Å
332N62.9Low63.9Low93 Ų93121.1 Ų121.150%0.49761%0.609SS.*Hα-helixtrans-64.2-41.3179.1-74.6-14.9000112.3K328 I335 T336K328-N332 PolarHBondContact O-N 3.45Å; K328-N332 PolarHBondContact O-ND2 3.5Å; N332-I335 PolarHBondContact O-N 3.28Å; N332-T336 VanDerWaalsContact O-CG2 3.24Å; N332-T336 WeakPolarHBondContact O-CG2 3.45Å; N332-T336 PolarHBondContact O-N 2.99Å; N332-T336 PolarHBondContact O-OG1 3.28Å
333I65.1Low66.5Low104 Ų104123 Ų12353%0.53361%0.607SS.*Hα-helixtrans-64.4-45.8177.5-62.8170.4000110.5R330 T331 I335 T336 E337R330-I333 PolarHBondContact O-N 2.9Å; T331-I333 PolarHBondContact O-N 2.92Å; I333-I335 PolarHBondContact O-N 3.18Å; I333-T336 WeakPolarHBondContact CA-OG1 3.3Å; I333-T336 PolarHBondContact O-N 3.43Å; I333-T336 PolarHBondContact O-OG1 3.4Å; I333-E337 PolarHBondContact O-N 3.07Å
334A70.1Confident69Low51 Ų51121 Ų12142%0.42159%0.588SS.*Hα-helixtrans-58.7-49.3177.300000111.9R330 T331 T336 E337 D338R330-A334 PolarHBondContact O-N 3.41Å; T331-A334 PolarHBondContact O-N 3.12Å; A334-T336 VanDerWaalsContact C-N 3.28Å; A334-T336 PolarHBondContact O-N 3.37Å; A334-E337 PolarHBondContact O-N 2.95Å; A334-E337 VanDerWaalsContact O-N 3.11Å; A334-D338 PolarHBondContact O-N 3.02Å
335I76Confident71.5Confident89 Ų89117.3 Ų117.346%0.45658%0.579SS.*Hα-helixtrans-59.2-40.4177.9-66.8163.1000111.1T331 N332 I333 E337 D338 I339T331-I335 WeakPolarHBondContact O-CB 3.38Å; T331-I335 WeakPolarHBondContact O-CD1 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.29Å; T331-I335 PolarHBondContact O-N 3.5Å; N332-I335 PolarHBondContact O-N 3.28Å; I333-I335 PolarHBondContact O-N 3.18Å; I335-E337 PolarHBondContact O-N 2.86Å; I335-D338 PolarHBondContact O-N 3.32Å; I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 HydrophobicContact CG2-CG1 4.47Å; I335-I339 VanDerWaalsContact O-CG1 3.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 2.86Å; I335-I339 VanDerWaalsContact O-N 3.07Å
336T79.3Confident74.1Confident69 Ų69110.3 Ų110.342%0.42356%0.562SS.*Hα-helixtrans-68.4-32.2178.456.50000113.4N332 I333 A334 K340N332-T336 VanDerWaalsContact O-CG2 3.24Å; N332-T336 WeakPolarHBondContact O-CG2 3.45Å; N332-T336 PolarHBondContact O-N 2.99Å; N332-T336 PolarHBondContact O-OG1 3.28Å; I333-T336 WeakPolarHBondContact CA-OG1 3.3Å; I333-T336 PolarHBondContact O-N 3.43Å; I333-T336 PolarHBondContact O-OG1 3.4Å; A334-T336 VanDerWaalsContact C-N 3.28Å; A334-T336 PolarHBondContact O-N 3.37Å; T336-K340 VanDerWaalsContact O-CG 3.28Å; T336-K340 WeakPolarHBondContact O-CG 3.23Å; T336-K340 PolarHBondContact O-N 2.95Å
337E83.7Confident76.7Confident98 Ų98110.5 Ų110.546%0.45855%0.551SS.*Hα-helixtrans-74.7-38.6175.8-69.8-59126.900111.5I333 A334 I335 K340 H341I333-E337 PolarHBondContact O-N 3.07Å; A334-E337 PolarHBondContact O-N 2.95Å; A334-E337 VanDerWaalsContact O-N 3.11Å; I335-E337 PolarHBondContact O-N 2.86Å; E337-K340 WeakPolarHBondContact O-CB 3.48Å; E337-K340 PolarHBondContact O-N 3.37Å; E337-K340 IonicContact OE1-NZ 2.73Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; E337-H341 PolarHBondContact O-N 2.97Å
338D83.5Confident78.7Confident108 Ų108109.8 Ų109.858%0.57854%0.541SS*.Hα-helixtrans-63.1-45.3176.2-67.2-20.4000111.7A334 I335 K340 H341 E342A334-D338 PolarHBondContact O-N 3.02Å; I335-D338 PolarHBondContact O-N 3.32Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 2.91Å; D338-H341 PolarHBondContact O-N 2.95Å; D338-H341 VanDerWaalsContact O-N 3.12Å; D338-E342 PolarHBondContact O-N 3.32Å
339I85.3Confident80.8Confident98 Ų98106.2 Ų106.250%0.50353%0.527SS..Hα-helixtrans-60.3-38.8175.8-68.4167.2000111.2I335 L343I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 HydrophobicContact CG2-CG1 4.47Å; I335-I339 VanDerWaalsContact O-CG1 3.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 2.86Å; I335-I339 VanDerWaalsContact O-N 3.07Å; I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 PolarHBondContact O-N 2.7Å
340K89.6Confident82.8Confident118 Ų118103 Ų10351%0.51352%0.518SS..Hα-helixtrans-65.1-40.9175.8-74.4172-171171.20111.5T336 E337 D338 Q344T336-K340 VanDerWaalsContact O-CG 3.28Å; T336-K340 WeakPolarHBondContact O-CG 3.23Å; T336-K340 PolarHBondContact O-N 2.95Å; E337-K340 WeakPolarHBondContact O-CB 3.48Å; E337-K340 PolarHBondContact O-N 3.37Å; E337-K340 IonicContact OE1-NZ 2.73Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 2.91Å; K340-Q344 VanDerWaalsContact O-CB 3.3Å; K340-Q344 WeakPolarHBondContact O-CB 3.32Å; K340-Q344 PolarHBondContact O-N 3.42Å
341H89.1Confident84.8Confident136 Ų13697.8 Ų97.863%0.6350%0.502SS*.Hα-helixtrans-65.8-45.5178.7-174-84000111.5E337 D338 Q344 Q345E337-H341 PolarHBondContact O-N 2.97Å; D338-H341 PolarHBondContact O-N 2.95Å; D338-H341 VanDerWaalsContact O-N 3.12Å; H341-Q344 PolarHBondContact O-N 3.05Å; H341-Q345 WeakPolarHBondContact O-CB 3.37Å; H341-Q345 PolarHBondContact O-N 2.9Å
342E91.3Very high86.6Confident131 Ų131100 Ų10061%0.61251%0.508SS*.Hα-helixtrans-63.4-44176.4-170.3179.7178.500111.7D338 Q344 Q345 S346D338-E342 PolarHBondContact O-N 3.32Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 3.3Å; E342-Q345 PolarHBondContact O-N 2.96Å; E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 2.91Å
343L92.3Very high88.2Confident124 Ų124101.9 Ų101.965%0.64951%0.509SS*.Hα-helixtrans-59.3-41.1173.9-178.665.8000111.7I339 R347I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 PolarHBondContact O-N 2.7Å; L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 PolarHBondContact O-N 3.12Å
344Q93.2Very high89.8Confident96 Ų96104.5 Ų104.545%0.44952%0.516SS..Hα-helixtrans-68.3-40.2176.9-175.561.633.300112K340 H341 E342 R347 N348K340-Q344 VanDerWaalsContact O-CB 3.3Å; K340-Q344 WeakPolarHBondContact O-CB 3.32Å; K340-Q344 PolarHBondContact O-N 3.42Å; H341-Q344 PolarHBondContact O-N 3.05Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 3.3Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact NE2-OD1 3.17Å; Q344-N348 VanDerWaalsContact NE2-OD1 3.07Å; Q344-N348 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact O-ND2 3.27Å; Q344-N348 PolarHBondContact O-OD1 2.92Å
345Q92.6Very high91.1Very high119 Ų119107.8 Ų107.856%0.55653%0.526SS*.Hα-helixtrans-62.9-48.1175.5-175.8-176.540.200111.1H341 E342 R347 N348 Q349H341-Q345 WeakPolarHBondContact O-CB 3.37Å; H341-Q345 PolarHBondContact O-N 2.9Å; E342-Q345 PolarHBondContact O-N 2.96Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 3.33Å; Q345-N348 PolarHBondContact O-N 3.06Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; Q345-Q349 WeakPolarHBondContact O-CB 3.48Å; Q345-Q349 PolarHBondContact O-N 3.02Å
346S93.7Very high92.1Very high69 Ų69108.8 Ų108.848%0.48353%0.527SS..Hα-helixtrans-60.6-39.5176-174.80000111.5E342 Q349 A350E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 2.91Å; S346-Q349 PolarHBondContact O-N 3.2Å; S346-A350 WeakPolarHBondContact O-CB 3.41Å; S346-A350 PolarHBondContact O-N 3.09Å
347R94.6Very high93Very high159 Ų159112.2 Ų112.260%0.654%0.536SS*.Hα-helixtrans-62.1-43.7173.8-172.7-178-176.8101.4-0.5112.2L343 Q344 Q345 Q351L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 PolarHBondContact O-N 3.12Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 2.89Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 3.33Å; R347-Q351 WeakPolarHBondContact O-CG 3.45Å; R347-Q351 PolarHBondContact O-N 3.03Å; R347-Q351 VanDerWaalsContact O-N 3.15Å
348N94.2Very high93.6Very high71 Ų71113.7 Ų113.738%0.3854%0.543SS..Hα-helixtrans-64.8-45.3176.6-68.3-16.1000110.9Q344 Q345 A350 Q351 E352Q344-N348 PolarHBondContact NE2-OD1 3.17Å; Q344-N348 VanDerWaalsContact NE2-OD1 3.07Å; Q344-N348 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact O-ND2 3.27Å; Q344-N348 PolarHBondContact O-OD1 2.92Å; Q345-N348 PolarHBondContact O-N 3.06Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; N348-A350 VanDerWaalsContact C-N 3.35Å; N348-A350 PolarHBondContact O-N 3.41Å; N348-Q351 WeakPolarHBondContact O-CB 3.37Å; N348-Q351 PolarHBondContact O-N 3.46Å; N348-Q351 VanDerWaalsContact O-N 3.08Å; N348-E352 PolarHBondContact O-N 2.96Å
349Q94.8Very high94.3Very high86 Ų86114.6 Ų114.640%0.40254%0.544SS..Hα-helixtrans-61.6-41.6177.8-171.1-178.95.200111.9Q345 S346 Q351 E352 Y353Q345-Q349 WeakPolarHBondContact O-CB 3.48Å; Q345-Q349 PolarHBondContact O-N 3.02Å; S346-Q349 PolarHBondContact O-N 3.2Å; Q349-Q351 VanDerWaalsContact C-N 3.28Å; Q349-Q351 PolarHBondContact O-N 3.1Å; Q349-E352 PolarHBondContact O-N 3.49Å; Q349-Y353 HydrophobicContact CG-CD2 3.95Å; Q349-Y353 HydrophobicContact CG-CE2 3.46Å; Q349-Y353 VanDerWaalsContact CG-CE2 3.46Å; Q349-Y353 PolarHBondContact NE2-OH 3.16Å; Q349-Y353 VanDerWaalsContact NE2-OH 3.14Å; Q349-Y353 VanDerWaalsContact O-CD2 3.29Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.25Å; Q349-Y353 PolarHBondContact O-N 3.11Å
350A94.7Very high94.8Very high58 Ų58113 Ų11348%0.47954%0.542SS..Hα-helixtrans-61.9-34.9174.300000112.5S346 N348 K354S346-A350 WeakPolarHBondContact O-CB 3.41Å; S346-A350 PolarHBondContact O-N 3.09Å; N348-A350 VanDerWaalsContact C-N 3.35Å; N348-A350 PolarHBondContact O-N 3.41Å; A350-K354 WeakPolarHBondContact O-CB 3.44Å; A350-K354 PolarHBondContact O-N 3.46Å
351Q96.3Very high95.2Very high107 Ų107109.5 Ų109.550%0.553%0.532SS..Hα-helixtrans-69.5-40.1174.6-70.9173.23.700112.1R347 N348 Q349 K354 L355R347-Q351 WeakPolarHBondContact O-CG 3.45Å; R347-Q351 PolarHBondContact O-N 3.03Å; R347-Q351 VanDerWaalsContact O-N 3.15Å; N348-Q351 WeakPolarHBondContact O-CB 3.37Å; N348-Q351 PolarHBondContact O-N 3.46Å; N348-Q351 VanDerWaalsContact O-N 3.08Å; Q349-Q351 VanDerWaalsContact C-N 3.28Å; Q349-Q351 PolarHBondContact O-N 3.1Å; Q351-K354 WeakPolarHBondContact O-CB 3.44Å; Q351-K354 PolarHBondContact O-N 2.88Å; Q351-L355 PolarHBondContact O-N 3.49Å
352E96.2Very high95.6Very high115 Ų115109.8 Ų109.854%0.53753%0.533SS..Hα-helixtrans-63.2-45.4174.7-70.4-175.8-178.400112.2N348 Q349 K354 L355 K356N348-E352 PolarHBondContact O-N 2.96Å; Q349-E352 PolarHBondContact O-N 3.49Å; E352-K354 VanDerWaalsContact C-N 3.29Å; E352-K354 PolarHBondContact O-N 3.36Å; E352-L355 PolarHBondContact O-N 3.04Å; E352-K356 WeakPolarHBondContact O-CG 3.39Å; E352-K356 PolarHBondContact O-N 2.94Å
353Y96.7Very high95.9Very high133 Ų133109.7 Ų109.752%0.52253%0.531SS..Hα-helixtrans-63.2-37.1175.7-71.9-49000112Q349 L355 K356 F357Q349-Y353 HydrophobicContact CG-CD2 3.95Å; Q349-Y353 HydrophobicContact CG-CE2 3.46Å; Q349-Y353 VanDerWaalsContact CG-CE2 3.46Å; Q349-Y353 PolarHBondContact NE2-OH 3.16Å; Q349-Y353 VanDerWaalsContact NE2-OH 3.14Å; Q349-Y353 VanDerWaalsContact O-CD2 3.29Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.25Å; Q349-Y353 PolarHBondContact O-N 3.11Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 3.46Å; Y353-K356 PolarHBondContact O-N 3.47Å; Y353-F357 VanDerWaalsContact O-CB 3.22Å; Y353-F357 WeakPolarHBondContact O-CB 3.24Å; Y353-F357 PolarHBondContact O-N 2.87Å
354K98Very high96.2Very high160 Ų160108 Ų10870%0.69652%0.521SS*.Hα-helixtrans-61.3-40.1173.9-174-179.3178.4-177.30112A350 Q351 E352 H358A350-K354 WeakPolarHBondContact O-CB 3.44Å; A350-K354 PolarHBondContact O-N 3.46Å; Q351-K354 WeakPolarHBondContact O-CB 3.44Å; Q351-K354 PolarHBondContact O-N 2.88Å; E352-K354 VanDerWaalsContact C-N 3.29Å; E352-K354 PolarHBondContact O-N 3.36Å; K354-H358 PolarHBondContact O-N 2.95Å; K354-H358 VanDerWaalsContact O-N 3.11Å
355L97.2Very high96.4Very high120 Ų120106.8 Ų106.863%0.62852%0.523SS*.Hα-helixtrans-67.2-49.3176.6-177.268.2000111.6Q351 E352 Y353 F357 H358 E359Q351-L355 PolarHBondContact O-N 3.49Å; E352-L355 PolarHBondContact O-N 3.04Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 3.46Å; L355-F357 VanDerWaalsContact C-N 3.28Å; L355-F357 PolarHBondContact O-N 2.94Å; L355-H358 WeakPolarHBondContact O-CB 3.34Å; L355-H358 PolarHBondContact O-N 3.18Å; L355-H358 VanDerWaalsContact O-N 3.07Å; L355-E359 PolarHBondContact O-N 3.4Å
356K97.3Very high96.7Very high109 Ų109103.3 Ų103.347%0.47452%0.515SS..Hα-helixtrans-59.5-39.7177.7-71.8175.2-179.6171.30112.2E352 Y353 E359 S360E352-K356 WeakPolarHBondContact O-CG 3.39Å; E352-K356 PolarHBondContact O-N 2.94Å; Y353-K356 PolarHBondContact O-N 3.47Å; K356-E359 PolarHBondContact O-N 3.32Å; K356-S360 WeakPolarHBondContact O-CB 3.38Å; K356-S360 PolarHBondContact O-N 3.35Å; K356-S360 PolarHBondContact O-OG 2.91Å
357F97.7Very high96.9Very high141 Ų141104 Ų10462%0.61851%0.513SS*.Hα-helixtrans-61-45.7173.7178.6-98.8000111.4Y353 L355 S360 C361Y353-F357 VanDerWaalsContact O-CB 3.22Å; Y353-F357 WeakPolarHBondContact O-CB 3.24Å; Y353-F357 PolarHBondContact O-N 2.87Å; L355-F357 VanDerWaalsContact C-N 3.28Å; L355-F357 PolarHBondContact O-N 2.94Å; F357-S360 PolarHBondContact O-N 2.92Å; F357-C361 VanDerWaalsContact CZ-SG 3.6Å; F357-C361 WeakPolarHBondContact O-CB 3.29Å; F357-C361 PolarHBondContact O-N 3.36Å; F357-C361 PolarHBondContact O-SG 3.03Å
358H98.1Very high97.1Very high130 Ų130101.5 Ų101.560%0.60251%0.508SS*.Hα-helixtrans-63.9-42.1178.2-169.256.2000112.8K354 L355 S360 C361 Q362K354-H358 PolarHBondContact O-N 2.95Å; K354-H358 VanDerWaalsContact O-N 3.11Å; L355-H358 WeakPolarHBondContact O-CB 3.34Å; L355-H358 PolarHBondContact O-N 3.18Å; L355-H358 VanDerWaalsContact O-N 3.07Å; H358-S360 VanDerWaalsContact C-N 3.35Å; H358-C361 PolarHBondContact O-N 3.13Å; H358-Q362 PolarHBondContact O-N 2.99Å
359E97.7Very high97.2Very high126 Ų126101.7 Ų101.759%0.58952%0.515SS*.Hα-helixtrans-60.5-44.3174.3-175.8176.9-167.400111.6L355 K356 Q362 K363L355-E359 PolarHBondContact O-N 3.4Å; K356-E359 PolarHBondContact O-N 3.32Å; E359-Q362 PolarHBondContact O-N 3.18Å; E359-K363 PolarHBondContact O-N 2.78Å
360S96.3Very high97.4Very high65 Ų65100.3 Ų100.346%0.45551%0.51SS..Hα-helixtrans-65-42177.5-57.20000111.5K356 F357 H358 Q362 K363 I364K356-S360 WeakPolarHBondContact O-CB 3.38Å; K356-S360 PolarHBondContact O-N 3.35Å; K356-S360 PolarHBondContact O-OG 2.91Å; F357-S360 PolarHBondContact O-N 2.92Å; H358-S360 VanDerWaalsContact C-N 3.35Å; S360-Q362 PolarHBondContact O-N 3.04Å; S360-K363 PolarHBondContact O-N 3.29Å; S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 2.92Å
361C97.8Very high97.5Very high45 Ų45101.7 Ų101.730%0.30451%0.509SS..Hα-helixtrans-59.9-42.9173.7-74.10000112.4F357 H358 K363 I364 S365F357-C361 VanDerWaalsContact CZ-SG 3.6Å; F357-C361 WeakPolarHBondContact O-CB 3.29Å; F357-C361 PolarHBondContact O-N 3.36Å; F357-C361 PolarHBondContact O-SG 3.03Å; H358-C361 PolarHBondContact O-N 3.13Å; C361-K363 VanDerWaalsContact C-N 3.33Å; C361-K363 PolarHBondContact O-N 3.15Å; C361-I364 PolarHBondContact O-N 3.39Å; C361-S365 PolarHBondContact O-N 3.49Å; C361-S365 PolarHBondContact O-OG 3.34Å
362Q97.4Very high97.6Very high142 Ų142101.2 Ų101.266%0.66451%0.513SS*.Hα-helixtrans-62.9-40.9176.4-173.9-179.648.700111.5H358 E359 S360 S365 A366H358-Q362 PolarHBondContact O-N 2.99Å; E359-Q362 PolarHBondContact O-N 3.18Å; S360-Q362 PolarHBondContact O-N 3.04Å; Q362-S365 PolarHBondContact O-N 3Å; Q362-A366 PolarHBondContact O-N 2.7Å
363K97.9Very high97.7Very high129 Ų129102 Ų10256%0.56151%0.511SS*.Hα-helixtrans-64.2-41.5176.5-177.158.7177.91770112E359 S360 C361 A366 L367E359-K363 PolarHBondContact O-N 2.78Å; S360-K363 PolarHBondContact O-N 3.29Å; C361-K363 VanDerWaalsContact C-N 3.33Å; C361-K363 PolarHBondContact O-N 3.15Å; K363-A366 PolarHBondContact O-N 3.4Å; K363-L367 HydrophobicContact CG-CD1 4.36Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.82Å
364I97.2Very high97.8Very high88 Ų88100 Ų10045%0.45151%0.509SS..Hα-helixtrans-58.8-49.9174.8-71.5167000110S360 C361 A366 L367 E368S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 2.92Å; C361-I364 PolarHBondContact O-N 3.39Å; I364-A366 VanDerWaalsContact C-N 3.28Å; I364-A366 PolarHBondContact O-N 2.96Å; I364-L367 PolarHBondContact O-N 3.38Å; I364-L367 VanDerWaalsContact O-N 3.11Å; I364-E368 HydrophobicContact CG2-CG 4.22Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.43Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 2.99Å
365S98.2Very high97.8Very high70 Ų7097.3 Ų97.349%0.4950%0.499SS..Hα-helixtrans-61-33.8178.4-61.10000113.7C361 Q362 S369C361-S365 PolarHBondContact O-N 3.49Å; C361-S365 PolarHBondContact O-OG 3.34Å; Q362-S365 PolarHBondContact O-N 3Å; S365-S369 PolarHBondContact O-N 3.45Å; S365-S369 VanDerWaalsContact O-N 3.15Å
366A98Very high97.8Very high47 Ų4793.1 Ų93.139%0.38848%0.484SS..Hα-helixtrans-67.4-44.717400000112Q362 K363 I364 S369 D370Q362-A366 PolarHBondContact O-N 2.7Å; K363-A366 PolarHBondContact O-N 3.4Å; I364-A366 VanDerWaalsContact C-N 3.28Å; I364-A366 PolarHBondContact O-N 2.96Å; A366-S369 PolarHBondContact O-N 3.23Å; A366-D370 PolarHBondContact O-N 3.24Å
367L98.4Very high97.9Very high83 Ų8391.8 Ų91.844%0.43548%0.48SS..Hα-helixtrans-64.8-40.1176.8-70.5173.3000111.8K363 I364 S369 D370 I371K363-L367 HydrophobicContact CG-CD1 4.36Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.82Å; I364-L367 PolarHBondContact O-N 3.38Å; I364-L367 VanDerWaalsContact O-N 3.11Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.89Å; L367-D370 PolarHBondContact O-N 3.44Å; L367-D370 VanDerWaalsContact O-N 3.16Å; L367-I371 VanDerWaalsContact O-CG1 3.29Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.29Å
368E98.5Very high97.8Very high107 Ų10789.5 Ų89.550%0.548%0.478SS..Hα-helixtrans-58.6-42.7174.2-72.5171.2162.800111.6I364 I371 V372I364-E368 HydrophobicContact CG2-CG 4.22Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.43Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 2.99Å; E368-I371 PolarHBondContact O-N 3.48Å; E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 3.48Å; E368-V372 VanDerWaalsContact O-N 3.15Å
369S97.4Very high97.8Very high74 Ų7490.4 Ų90.452%0.51748%0.48SS..Hα-helixtrans-64.5-38.9174.6-177.20000112.8S365 A366 L367 R373S365-S369 PolarHBondContact O-N 3.45Å; S365-S369 VanDerWaalsContact O-N 3.15Å; A366-S369 PolarHBondContact O-N 3.23Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.89Å; S369-R373 PolarHBondContact O-N 3.46Å
370D98.3Very high97.8Very high58 Ų5892.7 Ų92.731%0.3148%0.483SS..Hα-helixtrans-68.3-39.6177.8-77.8-25.8000111.5A366 L367 R373 L374A366-D370 PolarHBondContact O-N 3.24Å; L367-D370 PolarHBondContact O-N 3.44Å; L367-D370 VanDerWaalsContact O-N 3.16Å; D370-R373 WeakPolarHBondContact O-CB 3.37Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 2.79Å; D370-R373 PolarHBondContact OD1-NH1 3.37Å; D370-R373 IonicContact OD1-NH2 2.68Å; D370-R373 PolarHBondContact OD1-NH2 2.9Å; D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.33Å; D370-L374 PolarHBondContact O-N 3.43Å
371I98.2Very high97.9Very high87 Ų8796.9 Ų96.945%0.44649%0.49SS..Hα-helixtrans-57.7-52.3174.7-72165.7000110L367 E368 R373 L374 E375L367-I371 VanDerWaalsContact O-CG1 3.29Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.29Å; E368-I371 PolarHBondContact O-N 3.48Å; I371-R373 VanDerWaalsContact C-N 3.25Å; I371-R373 PolarHBondContact O-N 2.88Å; I371-L374 PolarHBondContact O-N 2.88Å; I371-L374 VanDerWaalsContact O-N 3.11Å; I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact CG2-OE1 3.38Å; I371-E375 WeakPolarHBondContact O-CB 3.48Å; I371-E375 VanDerWaalsContact O-CG 3.31Å; I371-E375 WeakPolarHBondContact O-CG 3.45Å; I371-E375 PolarHBondContact O-N 2.85Å
372V97.8Very high97.9Very high97 Ų97101 Ų10159%0.58850%0.503SS*.Hα-helixtrans-57.7-39.8178.9172.10000111.6E368 G376E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 3.48Å; E368-V372 VanDerWaalsContact O-N 3.15Å; V372-G376 PolarHBondContact O-N 3.47Å
373R98.3Very high97.9Very high131 Ų13197 Ų9749%0.49450%0.495SS..Hα-helixtrans-64.4-48.1176.2-175.7-178.168.9-131.1-7111.5S369 D370 I371 G376 Q377S369-R373 PolarHBondContact O-N 3.46Å; D370-R373 WeakPolarHBondContact O-CB 3.37Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 2.79Å; D370-R373 PolarHBondContact OD1-NH1 3.37Å; D370-R373 IonicContact OD1-NH2 2.68Å; D370-R373 PolarHBondContact OD1-NH2 2.9Å; I371-R373 VanDerWaalsContact C-N 3.25Å; I371-R373 PolarHBondContact O-N 2.88Å; R373-G376 PolarHBondContact O-N 3.25Å; R373-Q377 WeakPolarHBondContact O-CG 3.3Å; R373-Q377 PolarHBondContact O-N 2.96Å
374L98.2Very high97.9Very high91 Ų9195 Ų9548%0.47649%0.489SS..Hα-helixtrans-64.7-44.4-179.6-72.7172.1000111.3D370 I371 G376 Q377 T378D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.33Å; D370-L374 PolarHBondContact O-N 3.43Å; I371-L374 PolarHBondContact O-N 2.88Å; I371-L374 VanDerWaalsContact O-N 3.11Å; L374-G376 VanDerWaalsContact C-N 3.27Å; L374-G376 PolarHBondContact O-N 3.48Å; L374-Q377 CarbonylContact O-C 3.57Å; L374-Q377 WeakPolarHBondContact O-CA 3.23Å; L374-Q377 WeakPolarHBondContact O-CB 3.35Å; L374-Q377 PolarHBondContact O-N 2.96Å; L374-T378 PolarHBondContact O-N 3.03Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.07Å
375E97.9Very high97.9Very high103 Ų10393 Ų9348%0.48149%0.485SS..Hα-helixtrans-57.3-41.1173.6-72.8179.2169.800112I371 T378 K379I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact CG2-OE1 3.38Å; I371-E375 WeakPolarHBondContact O-CB 3.48Å; I371-E375 VanDerWaalsContact O-CG 3.31Å; I371-E375 WeakPolarHBondContact O-CG 3.45Å; I371-E375 PolarHBondContact O-N 2.85Å; E375-T378 PolarHBondContact O-N 3.01Å; E375-K379 WeakPolarHBondContact O-CG 3.22Å; E375-K379 PolarHBondContact O-N 2.89Å
376G97.6Very high97.8Very high32 Ų3293.5 Ų93.533%0.3348%0.482SS..Hα-helixtrans-61.8-43.1173.300000112.6V372 R373 L374 R380V372-G376 PolarHBondContact O-N 3.47Å; R373-G376 PolarHBondContact O-N 3.25Å; L374-G376 VanDerWaalsContact C-N 3.27Å; L374-G376 PolarHBondContact O-N 3.48Å; G376-R380 WeakPolarHBondContact O-CG 3.44Å; G376-R380 PolarHBondContact O-N 3.43Å
377Q98.3Very high97.7Very high81 Ų8193.9 Ų93.938%0.37949%0.486SS..Hα-helixtrans-64.9-46.5175.8-70.7178.22.900111.9R373 L374 K379 R380 Y381R373-Q377 WeakPolarHBondContact O-CG 3.3Å; R373-Q377 PolarHBondContact O-N 2.96Å; L374-Q377 CarbonylContact O-C 3.57Å; L374-Q377 WeakPolarHBondContact O-CA 3.23Å; L374-Q377 WeakPolarHBondContact O-CB 3.35Å; L374-Q377 PolarHBondContact O-N 2.96Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.91Å; Q377-R380 PolarHBondContact O-N 3.16Å; Q377-Y381 HydrophobicContact CB-CD2 4.31Å; Q377-Y381 HydrophobicContact CB-CE2 4.15Å; Q377-Y381 WeakPolarHBondContact O-CD2 3.44Å; Q377-Y381 PolarHBondContact O-N 2.83Å
378T97.6Very high97.6Very high93 Ų9393.7 Ų93.757%0.57149%0.49SS*.Hα-helixtrans-58-43.1177.8-57.60000111.3L374 E375 R380 Y381 K382L374-T378 PolarHBondContact O-N 3.03Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.07Å; E375-T378 PolarHBondContact O-N 3.01Å; T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 2.94Å; T378-Y381 PolarHBondContact O-N 3.38Å; T378-K382 VanDerWaalsContact O-CB 3.3Å; T378-K382 WeakPolarHBondContact O-CB 3.32Å; T378-K382 PolarHBondContact O-N 3.31Å
379K98Very high97.4Very high149 Ų14994.5 Ų94.565%0.64849%0.494SS*.Hα-helixtrans-60.6-41.2174.2-74.2172-176.5169.80112.5E375 Q377 A383E375-K379 WeakPolarHBondContact O-CG 3.22Å; E375-K379 PolarHBondContact O-N 2.89Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.91Å; K379-A383 PolarHBondContact O-N 3.36Å; K379-A383 VanDerWaalsContact O-N 3.12Å
380R97.2Very high97.4Very high174 Ų17497.3 Ų97.366%0.65750%0.499SS*.Hα-helixtrans-68.4-44.4177.6-68.4-17880.2-117.80.2112G376 Q377 T378 K382 A383 I384G376-R380 WeakPolarHBondContact O-CG 3.44Å; G376-R380 PolarHBondContact O-N 3.43Å; Q377-R380 PolarHBondContact O-N 3.16Å; T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 2.94Å; R380-K382 VanDerWaalsContact C-N 3.34Å; R380-A383 PolarHBondContact O-N 3.31Å; R380-I384 VanDerWaalsContact O-CG1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.08Å; R380-I384 PolarHBondContact O-N 3.07Å
381Y98.2Very high97.3Very high154 Ų15499.3 Ų99.360%0.60451%0.507SS*.Hα-helixtrans-65.2-38.7177.7-73.1-55.1000112.2Q377 T378 I384 A385Q377-Y381 HydrophobicContact CB-CD2 4.31Å; Q377-Y381 HydrophobicContact CB-CE2 4.15Å; Q377-Y381 WeakPolarHBondContact O-CD2 3.44Å; Q377-Y381 PolarHBondContact O-N 2.83Å; T378-Y381 PolarHBondContact O-N 3.38Å; Y381-I384 HydrophobicContact CD1-CD1 4.39Å; Y381-I384 PolarHBondContact O-N 3.33Å; Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.97Å
382K97.8Very high97.1Very high130 Ų13099.9 Ų99.957%0.56551%0.508SS*.Hα-helixtrans-58.3-49.7172.3-176.2175-179.9174.10111.7T378 R380 I384 A385 D386T378-K382 VanDerWaalsContact O-CB 3.3Å; T378-K382 WeakPolarHBondContact O-CB 3.32Å; T378-K382 PolarHBondContact O-N 3.31Å; R380-K382 VanDerWaalsContact C-N 3.34Å; K382-I384 VanDerWaalsContact C-N 3.27Å; K382-I384 PolarHBondContact O-N 3.07Å; K382-A385 PolarHBondContact O-N 3.03Å; K382-A385 VanDerWaalsContact O-N 3.15Å; K382-D386 VanDerWaalsContact O-CG 3.22Å; K382-D386 PolarHBondContact O-N 3.46Å
383A97.6Very high97Very high60 Ų60100.2 Ų100.250%0.49650%0.502SS..Hα-helixtrans-61.8-34.5177.500000113.1K379 R380 A387K379-A383 PolarHBondContact O-N 3.36Å; K379-A383 VanDerWaalsContact O-N 3.12Å; R380-A383 PolarHBondContact O-N 3.31Å; A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 3.2Å; A383-A387 VanDerWaalsContact O-N 3.11Å
384I97.4Very high97Very high86 Ų8697.2 Ų97.244%0.44150%0.496SS..Hα-helixtrans-68.1-44.2174.2-67.7163.5000110.6R380 Y381 K382 A387 C388R380-I384 VanDerWaalsContact O-CG1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.08Å; R380-I384 PolarHBondContact O-N 3.07Å; Y381-I384 HydrophobicContact CD1-CD1 4.39Å; Y381-I384 PolarHBondContact O-N 3.33Å; K382-I384 VanDerWaalsContact C-N 3.27Å; K382-I384 PolarHBondContact O-N 3.07Å; I384-A387 PolarHBondContact O-N 3.44Å; I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 2.93Å; I384-C388 PolarHBondContact O-SG 3.01Å; I384-C388 VanDerWaalsContact O-SG 3.34Å
385A97.1Very high96.9Very high45 Ų4597.8 Ų97.837%0.37250%0.499SS..Hα-helixtrans-61.8-48.1177.500000111.4Y381 K382 A387 C388 E389Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.97Å; K382-A385 PolarHBondContact O-N 3.03Å; K382-A385 VanDerWaalsContact O-N 3.15Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.86Å; A385-C388 WeakPolarHBondContact O-CB 3.39Å; A385-C388 PolarHBondContact O-N 3.38Å; A385-C388 VanDerWaalsContact O-N 3.08Å; A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 2.77Å
386D96.6Very high96.9Very high81 Ų8195.5 Ų95.543%0.43349%0.487SS..Hα-helixtrans-57.1-43.1176.4-64.6-21.2000111.1K382 E389 E390K382-D386 VanDerWaalsContact O-CG 3.22Å; K382-D386 PolarHBondContact O-N 3.46Å; D386-E389 PolarHBondContact O-N 3.21Å; D386-E390 PolarHBondContact O-N 3.02Å
387A96.1Very high96.8Very high55 Ų55100.1 Ų100.146%0.45550%0.5SS..Hα-helixtrans-67.6-36.1176.400000113.2A383 I384 A385 Q391A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 3.2Å; A383-A387 VanDerWaalsContact O-N 3.11Å; I384-A387 PolarHBondContact O-N 3.44Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.86Å; A387-Q391 WeakPolarHBondContact O-CB 3.46Å; A387-Q391 PolarHBondContact O-N 2.97Å; A387-Q391 VanDerWaalsContact O-N 3.08Å
388C96.6Very high96.7Very high79 Ų7999.7 Ų99.753%0.53450%0.501SS..Hα-helixtrans-66.6-41.5174.1-760000111.8I384 A385 Q391 E392I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 2.93Å; I384-C388 PolarHBondContact O-SG 3.01Å; I384-C388 VanDerWaalsContact O-SG 3.34Å; A385-C388 WeakPolarHBondContact O-CB 3.39Å; A385-C388 PolarHBondContact O-N 3.38Å; A385-C388 VanDerWaalsContact O-N 3.08Å; C388-Q391 PolarHBondContact O-N 2.65Å; C388-E392 WeakPolarHBondContact O-CB 3.44Å; C388-E392 PolarHBondContact O-N 3.24Å
389E94.2Very high96.7Very high124 Ų124102.2 Ų102.258%0.57950%0.499SS*.Hα-helixtrans-63.1-44.7176.2-73.7-177.2-17300111.6A385 D386 Q391 E392 E393A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 2.77Å; D386-E389 PolarHBondContact O-N 3.21Å; E389-Q391 VanDerWaalsContact C-N 3.35Å; E389-Q391 PolarHBondContact O-N 3.31Å; E389-E392 PolarHBondContact O-N 3.23Å; E389-E393 PolarHBondContact O-N 3.37Å
390E97Very high96.6Very high134 Ų134101.5 Ų101.563%0.62649%0.493SS*.Hα-helixtrans-59.6-45.8175.3-174.8176.4-176.100111.3D386 E392 E393 I394D386-E390 PolarHBondContact O-N 3.02Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 2.81Å; E390-E393 PolarHBondContact O-N 3.26Å; E390-I394 HydrophobicContact CG-CD1 4.18Å; E390-I394 WeakPolarHBondContact O-CG1 3.27Å; E390-I394 PolarHBondContact O-N 2.9Å
391Q95.9Very high96.5Very high100 Ų10099.7 Ų99.747%0.46749%0.486SS..Hα-helixtrans-63.3-36.5177.5-174.958.274.400112.5A387 C388 E389 L395A387-Q391 WeakPolarHBondContact O-CB 3.46Å; A387-Q391 PolarHBondContact O-N 2.97Å; A387-Q391 VanDerWaalsContact O-N 3.08Å; C388-Q391 PolarHBondContact O-N 2.65Å; E389-Q391 VanDerWaalsContact C-N 3.35Å; E389-Q391 PolarHBondContact O-N 3.31Å; Q391-L395 HydrophobicContact CG-CD1 4.39Å; Q391-L395 VanDerWaalsContact O-CG 3.31Å; Q391-L395 WeakPolarHBondContact O-CG 3.43Å; Q391-L395 PolarHBondContact O-N 3.29Å
392E94.7Very high96.4Very high99 Ų9996 Ų9646%0.46348%0.481SS..Hα-helixtrans-65.5-43.3176.2-166.9-168.5150.200111.6C388 E389 E390 L395 K396C388-E392 WeakPolarHBondContact O-CB 3.44Å; C388-E392 PolarHBondContact O-N 3.24Å; E389-E392 PolarHBondContact O-N 3.23Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 2.81Å; E392-L395 PolarHBondContact O-N 2.91Å; E392-K396 HydrophobicContact CG-CD 4.49Å; E392-K396 WeakPolarHBondContact O-CG 3.44Å; E392-K396 PolarHBondContact O-N 3.11Å; E392-K396 WeakPolarHBondContact OE1-CE 3.33Å; E392-K396 IonicContact OE1-NZ 2.76Å; E392-K396 PolarHBondContact OE1-NZ 3.27Å
393E95.4Very high96.4Very high103 Ų10394.4 Ų94.448%0.48148%0.476SS..Hα-helixtrans-65.3-39.6177.3-74.1-56.2124.200112.2E389 E390 K396 Q397E389-E393 PolarHBondContact O-N 3.37Å; E390-E393 PolarHBondContact O-N 3.26Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 VanDerWaalsContact OE1-CD 3.28Å; E393-K396 WeakPolarHBondContact OE1-CD 3.49Å; E393-K396 IonicContact OE1-NZ 2.77Å; E393-K396 PolarHBondContact OE1-NZ 3.01Å; E393-Q397 WeakPolarHBondContact O-CB 3.36Å; E393-Q397 PolarHBondContact O-N 2.82Å
394I97Very high96.3Very high69 Ų6997.5 Ų97.535%0.35448%0.475SS..Hα-helixtrans-59.3-49.5172.5-66.9166.1000110.3E390 K396 Q397 D398E390-I394 HydrophobicContact CG-CD1 4.18Å; E390-I394 WeakPolarHBondContact O-CG1 3.27Å; E390-I394 PolarHBondContact O-N 2.9Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.05Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.94Å; I394-Q397 VanDerWaalsContact O-N 3.12Å; I394-D398 PolarHBondContact O-N 3.12Å
395L96.5Very high96.2Very high103 Ų10397.6 Ų97.654%0.53947%0.474SS..Hα-helixtrans-63.4-36.8179.2-71.8172.7000112.3Q391 E392 R399Q391-L395 HydrophobicContact CG-CD1 4.39Å; Q391-L395 VanDerWaalsContact O-CG 3.31Å; Q391-L395 WeakPolarHBondContact O-CG 3.43Å; Q391-L395 PolarHBondContact O-N 3.29Å; E392-L395 PolarHBondContact O-N 2.91Å; L395-R399 VanDerWaalsContact O-CB 3.24Å; L395-R399 WeakPolarHBondContact O-CB 3.28Å; L395-R399 PolarHBondContact O-N 3.15Å
396K97.6Very high96.2Very high55 Ų55100 Ų10024%0.23948%0.48CS..Hα-helixtrans-63.4-42.1173.4-77.4169.6-175.9160.60111.3E392 E393 I394 R400E392-K396 HydrophobicContact CG-CD 4.49Å; E392-K396 WeakPolarHBondContact O-CG 3.44Å; E392-K396 PolarHBondContact O-N 3.11Å; E392-K396 WeakPolarHBondContact OE1-CE 3.33Å; E392-K396 IonicContact OE1-NZ 2.76Å; E392-K396 PolarHBondContact OE1-NZ 3.27Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 VanDerWaalsContact OE1-CD 3.28Å; E393-K396 WeakPolarHBondContact OE1-CD 3.49Å; E393-K396 IonicContact OE1-NZ 2.77Å; E393-K396 PolarHBondContact OE1-NZ 3.01Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.05Å; K396-R400 VanDerWaalsContact O-CG 3.29Å; K396-R400 WeakPolarHBondContact O-CG 3.28Å; K396-R400 PolarHBondContact O-N 3.36Å; K396-R400 VanDerWaalsContact O-N 3.08Å
397Q96.1Very high96.2Very high128 Ų128103.3 Ų103.360%0.59849%0.486SS*.Hα-helixtrans-65-46.1177.7-174.8173.88.600111.4E393 I394 R400 R401E393-Q397 WeakPolarHBondContact O-CB 3.36Å; E393-Q397 PolarHBondContact O-N 2.82Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.94Å; I394-Q397 VanDerWaalsContact O-N 3.12Å; Q397-R400 WeakPolarHBondContact O-CB 3.46Å; Q397-R400 PolarHBondContact O-N 2.99Å; Q397-R401 PolarHBondContact O-N 3.17Å
398D96.3Very high96.2Very high73 Ų73105.3 Ų105.339%0.3949%0.489SS..Hα-helixtrans-63.7-43.9177.1-81.2-13.5000111.7I394 R400 R401 C402I394-D398 PolarHBondContact O-N 3.12Å; D398-R400 VanDerWaalsContact C-N 3.29Å; D398-R400 PolarHBondContact O-N 2.85Å; D398-R401 CarbonylContact O-C 3.5Å; D398-R401 WeakPolarHBondContact O-CA 3.29Å; D398-R401 WeakPolarHBondContact O-CB 3.26Å; D398-R401 PolarHBondContact O-N 2.88Å; D398-C402 PolarHBondContact O-N 3.3Å; D398-C402 PolarHBondContact O-SG 2.96Å; D398-C402 VanDerWaalsContact O-SG 3.41Å
399R97.6Very high96.2Very high145 Ų145105.8 Ų105.855%0.54749%0.489SS..Hα-helixtrans-55.5-45.9173.5-176.5-175.366.4175.7-2.1111.4L395 R401 Q403L395-R399 VanDerWaalsContact O-CB 3.24Å; L395-R399 WeakPolarHBondContact O-CB 3.28Å; L395-R399 PolarHBondContact O-N 3.15Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.79Å; R399-Q403 WeakPolarHBondContact O-CB 3.24Å; R399-Q403 VanDerWaalsContact O-CG 3.27Å; R399-Q403 WeakPolarHBondContact O-CG 3.22Å; R399-Q403 PolarHBondContact O-N 3.13Å
400R96.1Very high96.4Very high135 Ų135104.3 Ų104.351%0.50948%0.482SS..Hα-helixtrans-64.7-37.4177-71.5171.9-174.9168.66111.7K396 Q397 D398 R404K396-R400 VanDerWaalsContact O-CG 3.29Å; K396-R400 WeakPolarHBondContact O-CG 3.28Å; K396-R400 PolarHBondContact O-N 3.36Å; K396-R400 VanDerWaalsContact O-N 3.08Å; Q397-R400 WeakPolarHBondContact O-CB 3.46Å; Q397-R400 PolarHBondContact O-N 2.99Å; D398-R400 VanDerWaalsContact C-N 3.29Å; D398-R400 PolarHBondContact O-N 2.85Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å
401R95.5Very high96.3Very high136 Ų136100.8 Ų100.851%0.51347%0.473SS..Hα-helixtrans-63.8-53.1175.3-179-175.6171.9-177.90.9111.1Q397 D398 R399 Q403 R404 E405Q397-R401 PolarHBondContact O-N 3.17Å; D398-R401 CarbonylContact O-C 3.5Å; D398-R401 WeakPolarHBondContact O-CA 3.29Å; D398-R401 WeakPolarHBondContact O-CB 3.26Å; D398-R401 PolarHBondContact O-N 2.88Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.79Å; R401-Q403 VanDerWaalsContact C-N 3.27Å; R401-Q403 PolarHBondContact O-N 3.39Å; R401-R404 WeakPolarHBondContact O-CB 3.46Å; R401-R404 PolarHBondContact O-N 3.45Å; R401-E405 WeakPolarHBondContact CG-OE1 3.45Å; R401-E405 IonicContact CZ-OE1 2.65Å; R401-E405 IonicContact NE-OE1 2.7Å; R401-E405 PolarHBondContact NE-OE1 3.25Å; R401-E405 IonicContact NH2-OE1 3.96Å; R401-E405 PolarHBondContact NH2-OE1 2.91Å; R401-E405 PolarHBondContact O-N 3.1Å
402C96.2Very high96.3Very high75 Ų75102.2 Ų102.251%0.50748%0.477SS..Hα-helixtrans-59.5-36.9177.8-65.50000112.1D398 R404 E405 L406D398-C402 PolarHBondContact O-N 3.3Å; D398-C402 PolarHBondContact O-SG 2.96Å; D398-C402 VanDerWaalsContact O-SG 3.41Å; C402-R404 VanDerWaalsContact C-N 3.32Å; C402-R404 PolarHBondContact O-N 2.86Å; C402-E405 PolarHBondContact O-N 3.27Å; C402-L406 VanDerWaalsContact O-CB 3.26Å; C402-L406 WeakPolarHBondContact O-CB 3.25Å; C402-L406 PolarHBondContact O-N 3.23Å
403Q96.8Very high96.4Very high98 Ų98101.8 Ų101.846%0.45848%0.478SS..Hα-helixtrans-66.9-28.8174.8-77.3176.7-2.800114R399 R401 R407R399-Q403 WeakPolarHBondContact O-CB 3.24Å; R399-Q403 VanDerWaalsContact O-CG 3.27Å; R399-Q403 WeakPolarHBondContact O-CG 3.22Å; R399-Q403 PolarHBondContact O-N 3.13Å; R401-Q403 VanDerWaalsContact C-N 3.27Å; R401-Q403 PolarHBondContact O-N 3.39Å; Q403-R407 WeakPolarHBondContact O-CG 3.46Å; Q403-R407 PolarHBondContact O-N 3.16Å; Q403-R407 PolarHBondContact O-NE 2.94Å; Q403-R407 VanDerWaalsContact O-NE 3.08Å
404R95.6Very high96.4Very high125 Ų125103.1 Ų103.147%0.47248%0.484SS..Hα-helixtrans-73-50.3171.5-73.5-179.1-68.8-121.7-0.4110.2R400 R401 C402 L406 R407 D408R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R401-R404 WeakPolarHBondContact O-CB 3.46Å; R401-R404 PolarHBondContact O-N 3.45Å; C402-R404 VanDerWaalsContact C-N 3.32Å; C402-R404 PolarHBondContact O-N 2.86Å; R404-L406 VanDerWaalsContact C-N 3.27Å; R404-L406 PolarHBondContact O-N 3.29Å; R404-R407 PolarHBondContact O-N 2.99Å; R404-D408 PolarHBondContact O-N 3.41Å
405E96Very high96.4Very high87 Ų87104.7 Ų104.741%0.40749%0.493SS..Hα-helixtrans-58.2-39178.6-68.5172.9-179.500111.9R401 C402 D408 V409R401-E405 WeakPolarHBondContact CG-OE1 3.45Å; R401-E405 IonicContact CZ-OE1 2.65Å; R401-E405 IonicContact NE-OE1 2.7Å; R401-E405 PolarHBondContact NE-OE1 3.25Å; R401-E405 IonicContact NH2-OE1 3.96Å; R401-E405 PolarHBondContact NH2-OE1 2.91Å; R401-E405 PolarHBondContact O-N 3.1Å; C402-E405 PolarHBondContact O-N 3.27Å; E405-D408 PolarHBondContact O-N 3.48Å; E405-V409 WeakPolarHBondContact O-CB 3.12Å; E405-V409 VanDerWaalsContact O-CG2 3.3Å; E405-V409 WeakPolarHBondContact O-CG2 3.29Å; E405-V409 PolarHBondContact O-N 3.38Å
406L95.9Very high96.4Very high97 Ų97105.5 Ų105.551%0.50850%0.498SS..Hα-helixtrans-61.2-45.5174.9-179.664.5000112C402 R404 D408 V409 Q410C402-L406 VanDerWaalsContact O-CB 3.26Å; C402-L406 WeakPolarHBondContact O-CB 3.25Å; C402-L406 PolarHBondContact O-N 3.23Å; R404-L406 VanDerWaalsContact C-N 3.27Å; R404-L406 PolarHBondContact O-N 3.29Å; L406-D408 VanDerWaalsContact C-N 3.35Å; L406-V409 PolarHBondContact O-N 3.42Å; L406-Q410 HydrophobicContact CD1-CG 4.45Å; L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.23Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 3.41Å
407R96.6Very high96.3Very high150 Ų150109.1 Ų109.157%0.56651%0.513SS*.Hα-helixtrans-64.4-40.7177.4-77.7-178.9-76158.8-8.4111.6Q403 R404 Q410 S411Q403-R407 WeakPolarHBondContact O-CG 3.46Å; Q403-R407 PolarHBondContact O-N 3.16Å; Q403-R407 PolarHBondContact O-NE 2.94Å; Q403-R407 VanDerWaalsContact O-NE 3.08Å; R404-R407 PolarHBondContact O-N 2.99Å; R407-Q410 PolarHBondContact O-N 2.89Å; R407-S411 PolarHBondContact O-N 3.47Å
408D96.3Very high96.3Very high96 Ų96106 Ų10651%0.51351%0.51SS..Hα-helixtrans-64.8-40.5177.1-64.3-21.1000111.6R404 E405 L406 K412R404-D408 PolarHBondContact O-N 3.41Å; E405-D408 PolarHBondContact O-N 3.48Å; L406-D408 VanDerWaalsContact C-N 3.35Å; D408-K412 VanDerWaalsContact O-CG 3.3Å; D408-K412 WeakPolarHBondContact O-CG 3.27Å; D408-K412 PolarHBondContact O-N 3.34Å
409V96.6Very high96.4Very high89 Ų89106 Ų10654%0.53951%0.507SS..Hα-helixtrans-68.4-39.7175.2170.90000111.4E405 L406 K412 L413E405-V409 WeakPolarHBondContact O-CB 3.12Å; E405-V409 VanDerWaalsContact O-CG2 3.3Å; E405-V409 WeakPolarHBondContact O-CG2 3.29Å; E405-V409 PolarHBondContact O-N 3.38Å; L406-V409 PolarHBondContact O-N 3.42Å; V409-K412 PolarHBondContact O-N 3.28Å; V409-L413 WeakPolarHBondContact O-CB 3.48Å; V409-L413 PolarHBondContact O-N 2.9Å
410Q97.8Very high96.2Very high93 Ų93104 Ų10444%0.43551%0.507SS..Hα-helixtrans-61.3-45.3174.6-76.9172-25.800111.4L406 R407 K412 L413 E414L406-Q410 HydrophobicContact CD1-CG 4.45Å; L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.23Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 3.41Å; R407-Q410 PolarHBondContact O-N 2.89Å; Q410-K412 PolarHBondContact O-N 3.48Å; Q410-L413 WeakPolarHBondContact O-CB 3.32Å; Q410-L413 PolarHBondContact O-N 3.09Å; Q410-L413 VanDerWaalsContact O-N 3.16Å; Q410-E414 WeakPolarHBondContact O-CG 3.45Å; Q410-E414 PolarHBondContact O-N 2.9Å
411S95.8Very high96.2Very high60 Ų6099.5 Ų99.542%0.4250%0.499SS..Hα-helixtrans-58.5-46.9174-172.30000111.4R407 L413 E414 D415R407-S411 PolarHBondContact O-N 3.47Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.37Å; S411-E414 PolarHBondContact O-N 3.36Å; S411-D415 VanDerWaalsContact O-CG 3.31Å; S411-D415 PolarHBondContact O-N 2.95Å
412K96.9Very high96.2Very high130 Ų13098.8 Ų98.857%0.56550%0.496SS*.Hα-helixtrans-61.6-36.8176.3-72.2170.7-175.6175.60112.6D408 V409 Q410 L416D408-K412 VanDerWaalsContact O-CG 3.3Å; D408-K412 WeakPolarHBondContact O-CG 3.27Å; D408-K412 PolarHBondContact O-N 3.34Å; V409-K412 PolarHBondContact O-N 3.28Å; Q410-K412 PolarHBondContact O-N 3.48Å; K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.38Å; K412-L416 PolarHBondContact O-N 2.86Å
413L96Very high96.1Very high90 Ų9098.9 Ų98.947%0.47149%0.491SS..Hα-helixtrans-65.7-41.5176.5-174.380.6000110.9V409 Q410 S411 L416 K417V409-L413 WeakPolarHBondContact O-CB 3.48Å; V409-L413 PolarHBondContact O-N 2.9Å; Q410-L413 WeakPolarHBondContact O-CB 3.32Å; Q410-L413 PolarHBondContact O-N 3.09Å; Q410-L413 VanDerWaalsContact O-N 3.16Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.37Å; L413-L416 PolarHBondContact O-N 2.96Å; L413-K417 HydrophobicContact CG-CD 4.32Å; L413-K417 WeakPolarHBondContact O-CB 3.42Å; L413-K417 VanDerWaalsContact O-CG 3.24Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.4Å
414E96.2Very high96Very high131 Ų13198.9 Ų98.961%0.61249%0.491SS*.Hα-helixtrans-64.7-44.2175.9-72.2176.8-178.600111.6Q410 S411 L416 K417 A418Q410-E414 WeakPolarHBondContact O-CG 3.45Å; Q410-E414 PolarHBondContact O-N 2.9Å; S411-E414 PolarHBondContact O-N 3.36Å; E414-L416 PolarHBondContact O-N 3.41Å; E414-K417 PolarHBondContact O-N 3.41Å; E414-A418 WeakPolarHBondContact O-CB 3.35Å; E414-A418 PolarHBondContact O-N 3.22Å
415D96.1Very high95.8Very high103 Ų103100.1 Ų100.155%0.55150%0.496SS*.Hα-helixtrans-59.1-47.5174.6-67.2-28.6000111.5S411 K417 A418 E419S411-D415 VanDerWaalsContact O-CG 3.31Å; S411-D415 PolarHBondContact O-N 2.95Å; D415-K417 PolarHBondContact O-N 2.83Å; D415-A418 PolarHBondContact O-N 2.96Å; D415-E419 WeakPolarHBondContact O-CB 3.31Å; D415-E419 PolarHBondContact O-N 2.83Å
416L96.1Very high95.7Very high120 Ų12099.3 Ų99.363%0.62850%0.497SS*.Hα-helixtrans-65.5-36.3177.1-74.1174.8000112.3K412 L413 E414 E419 N420K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.38Å; K412-L416 PolarHBondContact O-N 2.86Å; L413-L416 PolarHBondContact O-N 2.96Å; E414-L416 PolarHBondContact O-N 3.41Å; L416-E419 PolarHBondContact O-N 2.93Å; L416-N420 VanDerWaalsContact O-CB 3.22Å; L416-N420 WeakPolarHBondContact O-CB 3.37Å; L416-N420 PolarHBondContact O-N 2.91Å
417K96.2Very high95.4Very high131 Ų13198 Ų9857%0.5749%0.492SS*.Hα-helixtrans-66.2-41.7174-80.1174178.2177.20111.5L413 E414 D415 E419 N420 A421L413-K417 HydrophobicContact CG-CD 4.32Å; L413-K417 WeakPolarHBondContact O-CB 3.42Å; L413-K417 VanDerWaalsContact O-CG 3.24Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.4Å; E414-K417 PolarHBondContact O-N 3.41Å; D415-K417 PolarHBondContact O-N 2.83Å; K417-E419 VanDerWaalsContact C-N 3.34Å; K417-N420 PolarHBondContact O-N 3.36Å; K417-A421 WeakPolarHBondContact O-CB 3.5Å; K417-A421 PolarHBondContact O-N 2.86Å
418A96.4Very high95Very high63 Ų6394 Ų9452%0.52148%0.482SS..Hα-helixtrans-63.3-42.7176.100000111.2E414 D415 A421 R422E414-A418 WeakPolarHBondContact O-CB 3.35Å; E414-A418 PolarHBondContact O-N 3.22Å; D415-A418 PolarHBondContact O-N 2.96Å; A418-A421 PolarHBondContact O-N 3.34Å; A418-R422 PolarHBondContact O-N 2.87Å
419E96.8Very high94.6Very high73 Ų7396.7 Ų96.734%0.34149%0.49SS..Hα-helixtrans-66-42.6175.3-179.755.8-160.900111.8D415 L416 K417 A421 R422 L423D415-E419 WeakPolarHBondContact O-CB 3.31Å; D415-E419 PolarHBondContact O-N 2.83Å; L416-E419 PolarHBondContact O-N 2.93Å; K417-E419 VanDerWaalsContact C-N 3.34Å; E419-A421 VanDerWaalsContact C-N 3.35Å; E419-A421 PolarHBondContact O-N 2.85Å; E419-R422 CarbonylContact O-C 3.59Å; E419-R422 WeakPolarHBondContact O-CA 3.38Å; E419-R422 VanDerWaalsContact O-CB 3.28Å; E419-R422 WeakPolarHBondContact O-CB 3.4Å; E419-R422 PolarHBondContact O-N 3.49Å; E419-R422 IonicContact OE1-CZ 3.34Å; E419-R422 IonicContact OE1-NE 3.24Å; E419-R422 PolarHBondContact OE1-NE 2.85Å; E419-R422 IonicContact OE1-NH2 2.65Å; E419-R422 PolarHBondContact OE1-NH2 3.36Å; E419-R422 IonicContact OE2-CZ 3.64Å; E419-R422 IonicContact OE2-NE 2.77Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.66Å; E419-L423 HydrophobicContact CG-CD1 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.34Å
420N94.1Very high94Very high103 Ų103100.6 Ų100.655%0.55150%0.496SS*.Hα-helixtrans-64-41.6177-157.6-15.2000111L416 K417 R422 L423 Q424L416-N420 VanDerWaalsContact O-CB 3.22Å; L416-N420 WeakPolarHBondContact O-CB 3.37Å; L416-N420 PolarHBondContact O-N 2.91Å; K417-N420 PolarHBondContact O-N 3.36Å; N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 2.85Å; N420-L423 PolarHBondContact O-N 3.29Å; N420-Q424 WeakPolarHBondContact O-CB 3.42Å; N420-Q424 PolarHBondContact O-N 3.17Å
421A96.4Very high93.3Very high40 Ų40100.6 Ų100.633%0.33150%0.499SS..Hα-helixtrans-61.9-35.3171.600000112.3K417 A418 E419 R425K417-A421 WeakPolarHBondContact O-CB 3.5Å; K417-A421 PolarHBondContact O-N 2.86Å; A418-A421 PolarHBondContact O-N 3.34Å; E419-A421 VanDerWaalsContact C-N 3.35Å; E419-A421 PolarHBondContact O-N 2.85Å; A421-R425 VanDerWaalsContact O-CG 3.27Å; A421-R425 WeakPolarHBondContact O-CG 3.2Å; A421-R425 PolarHBondContact O-N 3.39Å; A421-R425 PolarHBondContact O-NH1 2.98Å
422R95Very high92.5Very high120 Ų120107.7 Ų107.745%0.45352%0.516SS..Hα-helixtrans-65.4-48.6173.4-168-169.673.382.11.7111.3A418 E419 N420 R425 V426A418-R422 PolarHBondContact O-N 2.87Å; E419-R422 CarbonylContact O-C 3.59Å; E419-R422 WeakPolarHBondContact O-CA 3.38Å; E419-R422 VanDerWaalsContact O-CB 3.28Å; E419-R422 WeakPolarHBondContact O-CB 3.4Å; E419-R422 PolarHBondContact O-N 3.49Å; E419-R422 IonicContact OE1-CZ 3.34Å; E419-R422 IonicContact OE1-NE 3.24Å; E419-R422 PolarHBondContact OE1-NE 2.85Å; E419-R422 IonicContact OE1-NH2 2.65Å; E419-R422 PolarHBondContact OE1-NH2 3.36Å; E419-R422 IonicContact OE2-CZ 3.64Å; E419-R422 IonicContact OE2-NE 2.77Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.66Å; N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 2.85Å; R422-R425 PolarHBondContact O-N 3.4Å; R422-V426 WeakPolarHBondContact O-CG2 3.47Å; R422-V426 PolarHBondContact O-N 3.44Å; R422-V426 VanDerWaalsContact O-N 3.11Å
423L94.9Very high91.2Very high77 Ų77104.5 Ų104.540%0.40352%0.52SS..Hα-helixtrans-63.1-41.9178.4-69.3174.2000111.8E419 N420 R425 V426 V427E419-L423 HydrophobicContact CG-CD1 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.34Å; N420-L423 PolarHBondContact O-N 3.29Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.35Å; L423-V426 CarbonylContact O-C 3.56Å; L423-V426 WeakPolarHBondContact O-CA 3.26Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 PolarHBondContact O-N 3.48Å; L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 2.8Å
424Q94.1Very high89.3Confident98 Ų98103.6 Ų103.646%0.45852%0.522SS..Hα-helixtrans-56.9-46.1175.1-170.662.447.400111.1N420 V426 V427 D428N420-Q424 WeakPolarHBondContact O-CB 3.42Å; N420-Q424 PolarHBondContact O-N 3.17Å; Q424-V426 VanDerWaalsContact C-N 3.26Å; Q424-V426 PolarHBondContact O-N 2.87Å; Q424-V427 PolarHBondContact O-N 2.89Å; Q424-D428 PolarHBondContact NE2-OD1 3.43Å; Q424-D428 PolarHBondContact O-N 2.83Å
425R91.8Very high87.3Confident151 Ų151102.5 Ų102.557%0.5752%0.524SS*.Hα-helixtrans-62.9-30.9174.8-66.8176.1-155115.1-6.7112.9A421 R422 L423 K429A421-R425 VanDerWaalsContact O-CG 3.27Å; A421-R425 WeakPolarHBondContact O-CG 3.2Å; A421-R425 PolarHBondContact O-N 3.39Å; A421-R425 PolarHBondContact O-NH1 2.98Å; R422-R425 PolarHBondContact O-N 3.4Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.35Å; R425-K429 VanDerWaalsContact O-CG 3.25Å; R425-K429 WeakPolarHBondContact O-CG 3.46Å; R425-K429 PolarHBondContact O-N 3.12Å
426V92.8Very high85.1Confident71 Ų71104.4 Ų104.443%0.4353%0.532SS..Hα-helixtrans-72.3-44.3175.8172.30000110.7R422 L423 Q424 K429 Y430R422-V426 WeakPolarHBondContact O-CG2 3.47Å; R422-V426 PolarHBondContact O-N 3.44Å; R422-V426 VanDerWaalsContact O-N 3.11Å; L423-V426 CarbonylContact O-C 3.56Å; L423-V426 WeakPolarHBondContact O-CA 3.26Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 PolarHBondContact O-N 3.48Å; Q424-V426 VanDerWaalsContact C-N 3.26Å; Q424-V426 PolarHBondContact O-N 2.87Å; V426-K429 WeakPolarHBondContact O-CB 3.29Å; V426-K429 PolarHBondContact O-N 3.44Å; V426-Y430 PolarHBondContact O-N 2.91Å
427V90.5Very high82.8Confident68 Ų68104.7 Ų104.741%0.41254%0.541SS..Hα-helixtrans-60.4-46175.5170.40000110.7L423 Q424 K429 Y430 N431L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 2.8Å; Q424-V427 PolarHBondContact O-N 2.89Å; V427-K429 PolarHBondContact O-N 2.91Å; V427-Y430 PolarHBondContact O-N 3.42Å; V427-Y430 VanDerWaalsContact O-N 3.1Å; V427-N431 WeakPolarHBondContact CG1-ND2 3.37Å; V427-N431 WeakPolarHBondContact O-CB 3.48Å; V427-N431 PolarHBondContact O-N 2.88Å
428D87.5Confident80.2Confident67 Ų67100.9 Ų100.936%0.35854%0.539SS..Hα-helixtrans-61.1-34.5178.4-65.3-20.1000112.1Q424 R432Q424-D428 PolarHBondContact NE2-OD1 3.43Å; Q424-D428 PolarHBondContact O-N 2.83Å; D428-R432 WeakPolarHBondContact O-CB 3.43Å; D428-R432 VanDerWaalsContact O-CG 3.24Å; D428-R432 WeakPolarHBondContact O-CG 3.33Å; D428-R432 PolarHBondContact O-N 2.73Å; D428-R432 VanDerWaalsContact O-N 3.16Å
429K87.9Confident77.7Confident153 Ų153104.7 Ų104.767%0.66556%0.557SS**Hα-helixtrans-69.1-43.3173.5-73.7171-174.8-177.30112R425 V426 V427 R432 G433R425-K429 VanDerWaalsContact O-CG 3.25Å; R425-K429 WeakPolarHBondContact O-CG 3.46Å; R425-K429 PolarHBondContact O-N 3.12Å; V426-K429 WeakPolarHBondContact O-CB 3.29Å; V426-K429 PolarHBondContact O-N 3.44Å; V427-K429 PolarHBondContact O-N 2.91Å; K429-R432 PolarHBondContact O-N 2.99Å; K429-G433 PolarHBondContact O-N 3.09Å
430Y84.1Confident75Confident170 Ų170105.4 Ų105.467%0.66758%0.584SS**Hα-helixtrans-64-45.3177.8-174.4-95.2000111.4V426 V427 R432 G433 S434V426-Y430 PolarHBondContact O-N 2.91Å; V427-Y430 PolarHBondContact O-N 3.42Å; V427-Y430 VanDerWaalsContact O-N 3.1Å; Y430-R432 VanDerWaalsContact C-N 3.3Å; Y430-R432 PolarHBondContact O-N 3.14Å; Y430-G433 CarbonylContact O-C 3.54Å; Y430-G433 PolarHBondContact O-N 2.82Å; Y430-G433 VanDerWaalsContact O-N 3.09Å; Y430-S434 WeakPolarHBondContact O-CB 3.13Å; Y430-S434 PolarHBondContact O-N 2.87Å
431N83.7Confident72.6Confident94 Ų94106.2 Ų106.250%0.50360%0.597SS.*Hα-helixtrans-61.7-37.2177.5-71.2-17.5000112.2V427V427-N431 WeakPolarHBondContact CG1-ND2 3.37Å; V427-N431 WeakPolarHBondContact O-CB 3.48Å; V427-N431 PolarHBondContact O-N 2.88Å
432R78.2Confident70Confident208 Ų208109.2 Ų109.279%0.78562%0.616SS**Hα-helixtrans-69.9-37.1172.8-72.6174.1-170.1-115.43.5112.6D428 K429 Y430D428-R432 WeakPolarHBondContact O-CB 3.43Å; D428-R432 VanDerWaalsContact O-CG 3.24Å; D428-R432 WeakPolarHBondContact O-CG 3.33Å; D428-R432 PolarHBondContact O-N 2.73Å; D428-R432 VanDerWaalsContact O-N 3.16Å; K429-R432 PolarHBondContact O-N 2.99Å; Y430-R432 VanDerWaalsContact C-N 3.3Å; Y430-R432 PolarHBondContact O-N 3.14Å
433G70.8Confident67.6Low63 Ų63110.3 Ų110.365%0.64963%0.629SS**Hα-helixtrans-74.7-2617900000114.5K429 Y430 V435K429-G433 PolarHBondContact O-N 3.09Å; Y430-G433 CarbonylContact O-C 3.54Å; Y430-G433 PolarHBondContact O-N 2.82Å; Y430-G433 VanDerWaalsContact O-N 3.09Å; G433-V435 VanDerWaalsContact C-N 3.31Å; G433-V435 PolarHBondContact O-N 3.35Å
434S56.3Low65.3Low71 Ų71118.3 Ų118.350%0.49765%0.654SS.*THydrogen-bonded Turntrans-81.3-5.2-179.6-171.50000114Y430 I436Y430-S434 WeakPolarHBondContact O-CB 3.13Å; Y430-S434 PolarHBondContact O-N 2.87Å; S434-I436 PolarHBondContact O-N 3.19Å
435V53.3Low63Low109 Ų109121.8 Ų121.866%0.66167%0.67SS**  trans-75.175.4171.6-171.30000108.3G433 P437G433-V435 VanDerWaalsContact C-N 3.31Å; G433-V435 PolarHBondContact O-N 3.35Å; V435-P437 VanDerWaalsContact O-CD 3.32Å; V435-P437 WeakPolarHBondContact O-CD 3.31Å
436I50Low60.9Low142 Ų142119.4 Ų119.473%0.72868%0.682SS**  trans-65.9117.9162.4-61.8177.7000105.9S434 G438S434-I436 PolarHBondContact O-N 3.19Å; I436-G438 PolarHBondContact O-N 3Å
437P47.5Very low58.7Low126 Ų126123.6 Ų123.682%0.81870%0.697SS**SBendtrans-76.290.9178.530.3-29.6000108V435V435-P437 VanDerWaalsContact O-CD 3.32Å; V435-P437 WeakPolarHBondContact O-CD 3.31Å
438G43Very low56.5Low51 Ų51126.4 Ų126.453%0.52671%0.71SS.*  trans149.187.3171.800000114.2I436I436-G438 PolarHBondContact O-N 3Å
439T43.1Very low54.6Low144 Ų144128.7 Ų128.788%0.88373%0.731SS**  trans170.3112.5131.232.50000106.7S441T439-S441 PolarHBondContact O-N 3.37Å
440G40Very low52.6Low88 Ų88126.8 Ų126.891%0.90774%0.737SS**  trans-62.9126.3174.200000110.4
441S43.9Very low50.9Low119 Ų119124.7 Ų124.783%0.83274%0.742SS**  trans-145.4121.7151.7-168.30000108.3T439T439-S441 PolarHBondContact O-N 3.37Å
442S42.5Very low49.1Very low103 Ų103127.1 Ų127.172%0.7276%0.755SS**  trans-58.2142.7-173.1-57.30000113.8
443I44.3Very low47.4Very low144 Ų144132.6 Ų132.674%0.73878%0.775SS**  trans42.2108.1131.7-67.2160000115.8
444R45.9Very low46.2Very low244 Ų244136.1 Ų136.192%0.92178%0.782SS**  -142.488.9129.1-69.6-163179.8-167.6-1.6109.4A446R444-A446 VanDerWaalsContact C-N 3.28Å; R444-A446 PolarHBondContact O-N 3.37Å
445Q46.7Very low45.7Very low172 Ų172139.5 Ų139.580%0.80480%0.797SS**  trans-62.894.4154.8-79.6171.9-25.700107.2H447Q445-H447 PolarHBondContact O-N 2.93Å
446A47.9Very low45.3Very low100 Ų100141.2 Ų141.283%0.82680%0.804SS**  trans-83.881.8157.400000106.3R444R444-A446 VanDerWaalsContact C-N 3.28Å; R444-A446 PolarHBondContact O-N 3.37Å
447H45.6Very low45Very low160 Ų160141.2 Ų141.274%0.74181%0.809SS**  trans-68.8123.8168-135.1-88.9000107.4Q445Q445-H447 PolarHBondContact O-N 2.93Å
448D43.9Very low44.8Very low126 Ų126142.1 Ų142.167%0.67481%0.808SS**  trans66.2105.2137.1-158.711.2000119.4
449S48.7Very low45Very low116 Ų116148.2 Ų148.281%0.81183%0.827SS**  trans-173.193.8138.361.90000110.9
450S45.7Very low45.1Very low113 Ų113148.5 Ų148.579%0.7982%0.823SS**  trans-17156.5149.3-179.30000110.8
451V48.5Very low45.5Very low126 Ų126153.2 Ų153.276%0.76482%0.816SS**  trans-84.698.5152.2175.40000105.7
452N44.4Very low45.6Very low144 Ų144156 Ų15677%0.7782%0.815SS**  trans162.993.4154.8-89-19.4000111.3
453R43.4Very low45.9Very low324 Ų324160.8 Ų160.8100%1.22382%0.824SS**  173.70125.7-99.3-178.7-176.7-160.11.1111.7

Retrieved 453 of 453 residues in 110.1 ms (Link to these results)