A0A3Q0KKN6_SCHMA Loading...

DRY_EERY domain-containing protein

AlphaFold DB (A0A5K4EK58), UniProt , Accession A0A3Q0KKN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 979 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
1M80.3Confident88.7Confident190 Ų190132 Ų13294%0.93661%0.605SS**  0-87.10-149-178.2-64.100114.8E4 A5M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.96Å; M1-A5 WeakPolarHBondContact O-CB 3.26Å; M1-A5 PolarHBondContact O-N 3.35Å
2W85.2Confident89Confident170 Ų170128.8 Ų128.864%0.64460%0.595SS**Hα-helixtrans-65.9-46.7-169.9179.587.8000114.9E4 A5 R6W2-E4 PolarHBondContact O-N 3.03Å; W2-A5 PolarHBondContact O-N 3.31Å; W2-R6 PolarHBondContact O-N 3.05Å
3Q89.4Confident89.2Confident160 Ų160128 Ų12875%0.74859%0.589SS**Hα-helixtrans-59.5-37.5174.6-67177.2-13.900112.1R6 K7Q3-R6 PolarHBondContact O-N 3.07Å; Q3-K7 PolarHBondContact O-N 2.85Å
4E87.8Confident89.3Confident119 Ų119124.9 Ų124.956%0.55658%0.584SS**Hα-helixtrans-69.5-41.7177.6172.9-170.2-165.800111.7M1 W2 R6 K7 Q8M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 3.1Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.96Å; W2-E4 PolarHBondContact O-N 3.03Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 2.91Å; E4-K7 WeakPolarHBondContact O-CA 3.29Å; E4-K7 WeakPolarHBondContact O-CB 3.38Å; E4-K7 PolarHBondContact O-N 3.5Å; E4-K7 VanDerWaalsContact O-N 3.09Å; E4-Q8 WeakPolarHBondContact O-CG 3.21Å; E4-Q8 PolarHBondContact O-N 2.8Å
5A89.1Confident89.4Confident57 Ų57120.9 Ų120.947%0.47157%0.568SS.*Hα-helixtrans-60.1-43.3171.100000111.3M1 W2 K7 Q8 E9M1-A5 WeakPolarHBondContact O-CB 3.26Å; M1-A5 PolarHBondContact O-N 3.35Å; W2-A5 PolarHBondContact O-N 3.31Å; A5-K7 VanDerWaalsContact C-N 3.32Å; A5-K7 PolarHBondContact O-N 3.03Å; A5-Q8 PolarHBondContact O-N 2.9Å; A5-E9 WeakPolarHBondContact O-CB 3.25Å; A5-E9 PolarHBondContact O-N 3.28Å
6R87.9Confident89.3Confident132 Ų132121.3 Ų121.350%0.49857%0.571SS.*Hα-helixtrans-62.5-34.2171.7-80.2-177.5161.7-165.7-3.1112.9W2 Q3 E4 K10W2-R6 PolarHBondContact O-N 3.05Å; Q3-R6 PolarHBondContact O-N 3.07Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 2.91Å; R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.34Å; R6-K10 PolarHBondContact O-N 2.79Å
7K91.1Very high89.3Confident165 Ų165119.4 Ų119.472%0.71757%0.569SS**Hα-helixtrans-66-43.9174.2-169.3177.6-178.81790111.2Q3 E4 A5 H11Q3-K7 PolarHBondContact O-N 2.85Å; E4-K7 WeakPolarHBondContact O-CA 3.29Å; E4-K7 WeakPolarHBondContact O-CB 3.38Å; E4-K7 PolarHBondContact O-N 3.5Å; E4-K7 VanDerWaalsContact O-N 3.09Å; A5-K7 VanDerWaalsContact C-N 3.32Å; A5-K7 PolarHBondContact O-N 3.03Å; K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.19Å
8Q92.1Very high89.4Confident109 Ų109116.3 Ų116.351%0.50956%0.556SS.*Hα-helixtrans-64.6-43.2174.2-64.1-64.6-7.500111.8E4 A5 K10 H11 I12E4-Q8 WeakPolarHBondContact O-CG 3.21Å; E4-Q8 PolarHBondContact O-N 2.8Å; A5-Q8 PolarHBondContact O-N 2.9Å; Q8-K10 PolarHBondContact O-N 3.42Å; Q8-H11 PolarHBondContact O-N 2.9Å; Q8-I12 WeakPolarHBondContact O-CG1 3.48Å; Q8-I12 PolarHBondContact O-N 2.9Å
9E90.2Very high89.4Confident91 Ų91118.2 Ų118.243%0.42556%0.559SS.*Hα-helixtrans-61.1-45.2177.3-166.3-158150.600112A5 I12 K13A5-E9 WeakPolarHBondContact O-CB 3.25Å; A5-E9 PolarHBondContact O-N 3.28Å; E9-I12 PolarHBondContact O-N 2.84Å; E9-K13 HydrophobicContact CG-CD 4.44Å; E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 WeakPolarHBondContact O-CG 3.25Å; E9-K13 PolarHBondContact O-N 2.81Å; E9-K13 VanDerWaalsContact OE1-CE 3.29Å; E9-K13 WeakPolarHBondContact OE1-CE 3.43Å; E9-K13 IonicContact OE1-NZ 3.38Å; E9-K13 PolarHBondContact OE1-NZ 3.19Å
10K91.4Very high89.4Confident158 Ų158118.7 Ų118.769%0.68756%0.558SS**Hα-helixtrans-58.8-46.4172.8-78-174.8176.6-170.70111.4R6 Q8 I12 K13 T14R6-K10 WeakPolarHBondContact O-CB 3.4Å; R6-K10 WeakPolarHBondContact O-CG 3.34Å; R6-K10 PolarHBondContact O-N 2.79Å; Q8-K10 PolarHBondContact O-N 3.42Å; K10-I12 PolarHBondContact O-N 3.02Å; K10-K13 PolarHBondContact O-N 3.3Å; K10-T14 PolarHBondContact O-N 2.84Å; K10-T14 PolarHBondContact O-OG1 3.5Å
11H91.5Very high89.3Confident101 Ų101120.8 Ų120.847%0.46856%0.561SS.*Hα-helixtrans-61.4-43.7179-177.759.9000112.6K7 Q8 K13 T14 L15K7-H11 WeakPolarHBondContact O-CB 3.3Å; K7-H11 PolarHBondContact O-N 3.19Å; Q8-H11 PolarHBondContact O-N 2.9Å; H11-K13 PolarHBondContact O-N 2.86Å; H11-T14 PolarHBondContact O-N 3.12Å; H11-L15 WeakPolarHBondContact O-CG 3.41Å; H11-L15 PolarHBondContact O-N 2.85Å
12I91.5Very high89.8Confident93 Ų93117 Ų11748%0.47754%0.537SS..Hα-helixtrans-62.6-42.3175.1-67.5164.7000110.9Q8 E9 K10 L15 M16Q8-I12 WeakPolarHBondContact O-CG1 3.48Å; Q8-I12 PolarHBondContact O-N 2.9Å; E9-I12 PolarHBondContact O-N 2.84Å; K10-I12 PolarHBondContact O-N 3.02Å; I12-L15 PolarHBondContact O-N 2.98Å; I12-M16 HydrophobicContact CG2-SD 4.27Å; I12-M16 WeakPolarHBondContact O-CG 3.42Å; I12-M16 PolarHBondContact O-N 2.97Å
13K91.6Very high89.7Confident119 Ų119111.8 Ų111.852%0.51753%0.53SS..Hα-helixtrans-61-45.3175.8-77.8171.7168.7175.10112E9 K10 H11 M16 V17E9-K13 HydrophobicContact CG-CD 4.44Å; E9-K13 WeakPolarHBondContact O-CB 3.37Å; E9-K13 WeakPolarHBondContact O-CG 3.25Å; E9-K13 PolarHBondContact O-N 2.81Å; E9-K13 VanDerWaalsContact OE1-CE 3.29Å; E9-K13 WeakPolarHBondContact OE1-CE 3.43Å; E9-K13 IonicContact OE1-NZ 3.38Å; E9-K13 PolarHBondContact OE1-NZ 3.19Å; K10-K13 PolarHBondContact O-N 3.3Å; H11-K13 PolarHBondContact O-N 2.86Å; K13-M16 PolarHBondContact O-N 2.82Å; K13-V17 WeakPolarHBondContact O-CG2 3.07Å; K13-V17 PolarHBondContact O-N 2.71Å; K13-V17 VanDerWaalsContact O-N 3.12Å
14T91.1Very high89.3Confident84 Ų84108.2 Ų108.252%0.51551%0.513SS..Hα-helixtrans-59.5-48.7174-57.90000111.5K10 H11 M16 V17 D18K10-T14 PolarHBondContact O-N 2.84Å; K10-T14 PolarHBondContact O-OG1 3.5Å; H11-T14 PolarHBondContact O-N 3.12Å; T14-M16 VanDerWaalsContact C-N 3.31Å; T14-M16 PolarHBondContact O-N 3.44Å; T14-V17 PolarHBondContact O-N 2.63Å; T14-V17 VanDerWaalsContact O-N 3.17Å; T14-D18 PolarHBondContact O-N 3.03Å
15L90.9Very high89.3Confident66 Ų66109.2 Ų109.235%0.34651%0.511SS..Hα-helixtrans-57.6-42.2176.7-75.5171.9000112.2H11 I12 V17 D18 Y19H11-L15 WeakPolarHBondContact O-CG 3.41Å; H11-L15 PolarHBondContact O-N 2.85Å; I12-L15 PolarHBondContact O-N 2.98Å; L15-V17 PolarHBondContact O-N 3.13Å; L15-D18 PolarHBondContact O-N 3.39Å; L15-Y19 HydrophobicContact CB-CD2 4.4Å; L15-Y19 HydrophobicContact CB-CE2 4.35Å; L15-Y19 HydrophobicContact CD2-CE2 4.48Å; L15-Y19 WeakPolarHBondContact O-CB 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.22Å
16M88.6Confident89.1Confident127 Ų127113.5 Ų113.563%0.62652%0.516SS*.Hα-helixtrans-62.6-40.5177.2-75.2-179.166.900112.8I12 K13 T14 K20I12-M16 HydrophobicContact CG2-SD 4.27Å; I12-M16 WeakPolarHBondContact O-CG 3.42Å; I12-M16 PolarHBondContact O-N 2.97Å; K13-M16 PolarHBondContact O-N 2.82Å; T14-M16 VanDerWaalsContact C-N 3.31Å; T14-M16 PolarHBondContact O-N 3.44Å; M16-K20 WeakPolarHBondContact O-CB 3.47Å; M16-K20 PolarHBondContact O-N 2.84Å
17V89.1Confident88.7Confident89 Ų89114.2 Ų114.254%0.53952%0.518SS..Hα-helixtrans-65.5-43.6175173.90000110.8K13 T14 L15 K20 R21K13-V17 WeakPolarHBondContact O-CG2 3.07Å; K13-V17 PolarHBondContact O-N 2.71Å; K13-V17 VanDerWaalsContact O-N 3.12Å; T14-V17 PolarHBondContact O-N 2.63Å; T14-V17 VanDerWaalsContact O-N 3.17Å; L15-V17 PolarHBondContact O-N 3.13Å; V17-K20 WeakPolarHBondContact O-CB 3.37Å; V17-K20 PolarHBondContact O-N 2.9Å; V17-R21 WeakPolarHBondContact O-CB 3.31Å; V17-R21 PolarHBondContact O-N 2.84Å
18D90.8Very high87.9Confident63 Ų63109 Ų10934%0.33750%0.498SS..Hα-helixtrans-65.3-39.7176.6-84.9-20.4000112.8T14 L15 K20 R22T14-D18 PolarHBondContact O-N 3.03Å; L15-D18 PolarHBondContact O-N 3.39Å; D18-K20 VanDerWaalsContact C-N 3.33Å; D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 PolarHBondContact O-NH1 3.36Å; D18-R22 VanDerWaalsContact O-NH1 3.15Å
19Y89.4Confident87.5Confident152 Ų152110.6 Ų110.660%0.59650%0.501SS*.Hα-helixtrans-64.1-38.7173.6-80.6-61.5000111.7L15 A23L15-Y19 HydrophobicContact CB-CD2 4.4Å; L15-Y19 HydrophobicContact CB-CE2 4.35Å; L15-Y19 HydrophobicContact CD2-CE2 4.48Å; L15-Y19 WeakPolarHBondContact O-CB 3.32Å; L15-Y19 WeakPolarHBondContact O-CD2 3.28Å; L15-Y19 PolarHBondContact O-N 3.22Å; Y19-A23 VanDerWaalsContact O-CB 3.28Å; Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.23Å
20K89.1Confident87.1Confident128 Ų128112.3 Ų112.356%0.55750%0.504SS*.Hα-helixtrans-62.4-57.2173.1-177.2-168.8159.8-170.80111M16 V17 D18 R22 A23 E24M16-K20 WeakPolarHBondContact O-CB 3.47Å; M16-K20 PolarHBondContact O-N 2.84Å; V17-K20 WeakPolarHBondContact O-CB 3.37Å; V17-K20 PolarHBondContact O-N 2.9Å; D18-K20 VanDerWaalsContact C-N 3.33Å; K20-R22 PolarHBondContact O-N 2.98Å; K20-A23 PolarHBondContact O-N 2.68Å; K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact CG-OE1 3.36Å; K20-E24 IonicContact NZ-OE1 2.71Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.2Å
21R88Confident86.4Confident164 Ų164107.1 Ų107.162%0.61948%0.482SS*.Hα-helixtrans-63.2-21.9179.7-178.3179.3-96.1-175.2-8.2113.4V17 R25V17-R21 WeakPolarHBondContact O-CB 3.31Å; V17-R21 PolarHBondContact O-N 2.84Å; R21-R25 WeakPolarHBondContact O-CG 3.12Å; R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 PolarHBondContact O-NE 3.2Å
22R89.3Confident85.5Confident111 Ų111110.7 Ų110.742%0.41949%0.491SS..Hα-helixtrans-83.9-35.4172.4-173.5-177.3-69.399.3-4.9112.2D18 K20 R26D18-R22 WeakPolarHBondContact O-CB 3.49Å; D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 PolarHBondContact O-NH1 3.36Å; D18-R22 VanDerWaalsContact O-NH1 3.15Å; K20-R22 PolarHBondContact O-N 2.98Å; R22-R26 WeakPolarHBondContact O-CG 3.1Å; R22-R26 PolarHBondContact O-N 3.08Å
23A83.2Confident84.7Confident60 Ų60111.4 Ų111.450%0.49650%0.495SS..Hα-helixtrans-70.1-38.2173.500000111.9Y19 K20 R26 R27Y19-A23 VanDerWaalsContact O-CB 3.28Å; Y19-A23 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 PolarHBondContact O-N 3.23Å; K20-A23 PolarHBondContact O-N 2.68Å; A23-R26 PolarHBondContact O-N 3.24Å; A23-R27 PolarHBondContact O-N 3.43Å
24E81.5Confident83.9Confident84 Ų84114.5 Ų114.539%0.39351%0.509SS..Hα-helixtrans-59.4-57.8173.6-74.1160.4166.500110K20 R26 R27 D28K20-E24 WeakPolarHBondContact CE-OE1 3.43Å; K20-E24 WeakPolarHBondContact CG-OE1 3.36Å; K20-E24 IonicContact NZ-OE1 2.71Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.2Å; E24-R26 PolarHBondContact O-N 2.97Å; E24-R27 CarbonylContact O-C 3.57Å; E24-R27 WeakPolarHBondContact O-CA 3.04Å; E24-R27 VanDerWaalsContact O-CB 3.26Å; E24-R27 WeakPolarHBondContact O-CB 3.3Å; E24-R27 PolarHBondContact O-N 2.77Å; E24-D28 PolarHBondContact O-N 2.84Å; E24-D28 VanDerWaalsContact O-OD2 3.13Å
25R87.9Confident82.8Confident140 Ų140112.6 Ų112.653%0.52849%0.494SS..Hα-helixtrans-55.7-30.4175.5-72.5177.7-66138.7-6.2115.2R21 D28 Y29R21-R25 WeakPolarHBondContact O-CG 3.12Å; R21-R25 PolarHBondContact O-N 3.2Å; R21-R25 PolarHBondContact O-NE 3.2Å; R25-D28 WeakPolarHBondContact CA-OD2 3.3Å; R25-D28 PolarHBondContact N-OD2 3.27Å; R25-Y29 WeakPolarHBondContact O-CB 3.43Å; R25-Y29 PolarHBondContact O-N 3.4Å; R25-Y29 VanDerWaalsContact O-N 3.15Å
26R85.1Confident81.5Confident148 Ų148113.4 Ų113.456%0.55850%0.499SS*.Hα-helixtrans-73.9-37.5172.5-75.4-17076.7136.2-1.2112.1R22 A23 E24 Y30R22-R26 WeakPolarHBondContact O-CG 3.1Å; R22-R26 PolarHBondContact O-N 3.08Å; A23-R26 PolarHBondContact O-N 3.24Å; E24-R26 PolarHBondContact O-N 2.97Å; R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 PolarHBondContact NH2-OH 2.94Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 3.25Å
27R78.8Confident80.5Confident147 Ų147112.2 Ų112.256%0.55550%0.501SS*.Hα-helixtrans-59.4-50.9171-179-173.7174.4-155.7-11.9110A23 E24 Y29 Y30 E31A23-R27 PolarHBondContact O-N 3.43Å; E24-R27 CarbonylContact O-C 3.57Å; E24-R27 WeakPolarHBondContact O-CA 3.04Å; E24-R27 VanDerWaalsContact O-CB 3.26Å; E24-R27 WeakPolarHBondContact O-CB 3.3Å; E24-R27 PolarHBondContact O-N 2.77Å; R27-Y29 VanDerWaalsContact C-N 3.31Å; R27-Y29 PolarHBondContact O-N 2.66Å; R27-Y30 PolarHBondContact O-N 3Å; R27-Y30 VanDerWaalsContact O-N 3.15Å; R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 IonicContact CZ-OE1 3.78Å; R27-E31 IonicContact NE-OE1 3.04Å; R27-E31 PolarHBondContact NE-OE1 3.03Å; R27-E31 IonicContact NH2-OE1 2.65Å; R27-E31 PolarHBondContact NH2-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.22Å
28D75.3Confident79.3Confident56 Ų56113.8 Ų113.830%0.29951%0.505SS..Hα-helixtrans-60-41.9-177.7-46.6-32.3000111.5E24 R25 E31 R32E24-D28 PolarHBondContact O-N 2.84Å; E24-D28 VanDerWaalsContact O-OD2 3.13Å; R25-D28 WeakPolarHBondContact CA-OD2 3.3Å; R25-D28 PolarHBondContact N-OD2 3.27Å; D28-E31 PolarHBondContact O-N 3.31Å; D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.41Å; D28-R32 PolarHBondContact O-N 3.25Å; D28-R32 VanDerWaalsContact O-N 3.13Å
29Y83Confident78.1Confident142 Ų142116.3 Ų116.356%0.55751%0.513SS*.Hα-helixtrans-61.1-48.4174178-95.9000112.6R25 R27 R32 I33R25-Y29 WeakPolarHBondContact O-CB 3.43Å; R25-Y29 PolarHBondContact O-N 3.4Å; R25-Y29 VanDerWaalsContact O-N 3.15Å; R27-Y29 VanDerWaalsContact C-N 3.31Å; R27-Y29 PolarHBondContact O-N 2.66Å; Y29-R32 PolarHBondContact O-N 2.92Å; Y29-I33 HydrophobicContact CD1-CD1 4.06Å; Y29-I33 HydrophobicContact CD2-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE2-CD1 3.7Å; Y29-I33 HydrophobicContact CG-CD1 4.38Å; Y29-I33 PolarHBondContact O-N 3.25Å
30Y81.1Confident76.9Confident127 Ų127115.9 Ų115.950%0.49851%0.514SS..Hα-helixtrans-71.1-29.9178.8-70.8-54.4000113.2R26 R27 I33 K34R26-Y30 HydrophobicContact CB-CE2 4.41Å; R26-Y30 PolarHBondContact NH2-OH 2.94Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 3.25Å; R27-Y30 PolarHBondContact O-N 3Å; R27-Y30 VanDerWaalsContact O-N 3.15Å; Y30-I33 PolarHBondContact O-N 3.49Å; Y30-K34 WeakPolarHBondContact O-CB 3.28Å; Y30-K34 PolarHBondContact O-N 2.94Å
31E77Confident75.9Confident49 Ų49115.2 Ų115.223%0.22952%0.516CS..Hα-helixtrans-66.6-43.2174-76.6-179.4174.400111.6R27 D28 I33 K34 Q35 R147R27-E31 HydrophobicContact CG-CG 4.3Å; R27-E31 IonicContact CZ-OE1 3.78Å; R27-E31 IonicContact NE-OE1 3.04Å; R27-E31 PolarHBondContact NE-OE1 3.03Å; R27-E31 IonicContact NH2-OE1 2.65Å; R27-E31 PolarHBondContact NH2-OE1 3.26Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.22Å; D28-E31 PolarHBondContact O-N 3.31Å; E31-I33 VanDerWaalsContact C-N 3.3Å; E31-I33 PolarHBondContact O-N 3.19Å; E31-K34 PolarHBondContact O-N 2.84Å; E31-Q35 PolarHBondContact O-N 2.91Å; E31-R147 IonicContact OE2-CZ 3.37Å; E31-R147 IonicContact OE2-NH1 3.51Å; E31-R147 PolarHBondContact OE2-NH1 2.67Å; E31-R147 IonicContact OE2-NH2 2.68Å; E31-R147 PolarHBondContact OE2-NH2 3.2Å
32R74Confident75Confident175 Ų175112.6 Ų112.666%0.6651%0.506SS*.Hα-helixtrans-62.4-34.9175.8-69.7169.1-172.3-167.60.2113.3D28 Y29D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.41Å; D28-R32 PolarHBondContact O-N 3.25Å; D28-R32 VanDerWaalsContact O-N 3.13Å; Y29-R32 PolarHBondContact O-N 2.92Å
33I73.8Confident74.2Confident108 Ų108114.3 Ų114.355%0.55452%0.523SS*.Hα-helixtrans-86.1-18.2178.4-67.3173.3000112.3Y29 Y30 E31Y29-I33 HydrophobicContact CD1-CD1 4.06Å; Y29-I33 HydrophobicContact CD2-CD1 4.22Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE2-CD1 3.7Å; Y29-I33 HydrophobicContact CG-CD1 4.38Å; Y29-I33 PolarHBondContact O-N 3.25Å; Y30-I33 PolarHBondContact O-N 3.49Å; E31-I33 VanDerWaalsContact C-N 3.3Å; E31-I33 PolarHBondContact O-N 3.19Å
34K75.2Confident74.1Confident184 Ų184119.3 Ų119.380%0.853%0.534SS*.Hα-helixtrans-86.6-18.7174.4-169-167.8171-145.40112.5Y30 E31 D36Y30-K34 WeakPolarHBondContact O-CB 3.28Å; Y30-K34 PolarHBondContact O-N 2.94Å; E31-K34 PolarHBondContact O-N 2.84Å; K34-D36 PolarHBondContact O-N 3.1Å
35Q67.8Low74Confident45 Ų45119 Ų11921%0.2155%0.553CS.*SBendtrans-57.4132.2166-77.4167.8-53.900108.8E31 F40 D143E31-Q35 PolarHBondContact O-N 2.91Å; Q35-F40 HydrophobicContact CB-CE2 4.15Å; Q35-F40 HydrophobicContact CB-CZ 4.41Å; Q35-D143 PolarHBondContact NE2-OD2 2.86Å
36D63.2Low73.7Confident82 Ų82123.4 Ų123.444%0.43957%0.569SS.*  trans-58.7127-177.3-173.9-27.3000109.8K34 I38 K39K34-D36 PolarHBondContact O-N 3.1Å; D36-I38 PolarHBondContact O-N 3.07Å; D36-I38 VanDerWaalsContact OD1-CB 3.3Å; D36-I38 WeakPolarHBondContact OD1-CB 3.24Å; D36-I38 VanDerWaalsContact OD1-CG1 3.3Å; D36-I38 WeakPolarHBondContact OD1-CG1 3.39Å; D36-I38 PolarHBondContact OD1-N 2.71Å; D36-K39 HydrophobicContact CB-CG 4.43Å; D36-K39 VanDerWaalsContact O-CB 3.29Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 2.68Å
37P67.9Low73.6Confident103 Ų103122.7 Ų122.767%0.66959%0.587SS**G310 helixtrans-56.9-2317824-35.4000113.5K39 F40P37-K39 PolarHBondContact O-N 3.31Å; P37-F40 PolarHBondContact O-N 3.44Å
38I64.5Low73.5Confident122 Ų122119.7 Ų119.763%0.62659%0.589SS**G310 helixtrans-62.4-31.1174.1-61.3171.3000111.3D36 F40 L41D36-I38 PolarHBondContact O-N 3.07Å; D36-I38 VanDerWaalsContact OD1-CB 3.3Å; D36-I38 WeakPolarHBondContact OD1-CB 3.24Å; D36-I38 VanDerWaalsContact OD1-CG1 3.3Å; D36-I38 WeakPolarHBondContact OD1-CG1 3.39Å; D36-I38 PolarHBondContact OD1-N 2.71Å; I38-F40 PolarHBondContact O-N 3.06Å; I38-L41 PolarHBondContact O-N 3.26Å
39K64.8Low73.6Confident116 Ų116124 Ų12450%0.50461%0.605SS.*G310 helixtrans-57.7-23175.7-74.1-163.1170.8-154.10113.9D36 P37 D143D36-K39 HydrophobicContact CB-CG 4.43Å; D36-K39 VanDerWaalsContact O-CB 3.29Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 2.68Å; P37-K39 PolarHBondContact O-N 3.31Å; K39-D143 IonicContact NZ-OD1 3.64Å; K39-D143 PolarHBondContact NZ-OD1 3.31Å; K39-D143 IonicContact NZ-OD2 3.23Å; K39-D143 PolarHBondContact NZ-OD2 3.42Å
40F64.2Low73.4Confident142 Ų142124.5 Ų124.562%0.62362%0.616SS**G310 helixtrans-105-3.6-178.8-55.5-70.2000113.1Q35 P37 I38 R42Q35-F40 HydrophobicContact CB-CE2 4.15Å; Q35-F40 HydrophobicContact CB-CZ 4.41Å; P37-F40 PolarHBondContact O-N 3.44Å; I38-F40 PolarHBondContact O-N 3.06Å; F40-R42 PolarHBondContact O-N 3.24Å; F40-R42 VanDerWaalsContact O-N 3.13Å
41L68.8Low73.2Confident115 Ų115122.7 Ų122.760%0.60261%0.612SS**  trans-88.772-175-171.866.1000111.8I38 L43I38-L41 PolarHBondContact O-N 3.26Å; L41-L43 HydrophobicContact CD1-CD2 4.29Å; L41-L43 HydrophobicContact CG-CD2 4.28Å; L41-L43 HydrophobicContact CG-CG 4.21Å; L41-L43 PolarHBondContact O-N 2.96Å
42R68.4Low73.3Confident108 Ų108129.1 Ų129.141%0.40865%0.647SS.*  trans-78.3100.3177.6-152.2169.1-159.5-141.1-1.5111.3F40 F44 E136 E139F40-R42 PolarHBondContact O-N 3.24Å; F40-R42 VanDerWaalsContact O-N 3.13Å; R42-F44 HydrophobicContact CB-CE2 4.38Å; R42-F44 HydrophobicContact CG-CE2 3.94Å; R42-F44 HydrophobicContact CG-CZ 4.06Å; R42-E136 IonicContact CZ-OE1 2.89Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 PolarHBondContact NH1-OE1 3.1Å; R42-E136 IonicContact NH2-OE1 3.57Å; R42-E136 PolarHBondContact NH2-OE1 2.77Å; R42-E139 IonicContact CZ-OE2 3.85Å; R42-E139 IonicContact NE-OE2 2.94Å; R42-E139 PolarHBondContact NE-OE2 2.97Å; R42-E139 IonicContact NH2-OE2 3.9Å; R42-E139 PolarHBondContact NH2-OE2 2.74Å
43L73Confident73.7Confident147 Ų147124.7 Ų124.777%0.7764%0.637SS**  trans-87.7105.4179.1-66176000111.3L41L41-L43 HydrophobicContact CD1-CD2 4.29Å; L41-L43 HydrophobicContact CG-CD2 4.28Å; L41-L43 HydrophobicContact CG-CG 4.21Å; L41-L43 PolarHBondContact O-N 2.96Å
44F80Confident74.2Confident165 Ų165122.6 Ų122.672%0.72463%0.632SS**  trans-90.4115.9170.1-67.3-78.1000111.1R42R42-F44 HydrophobicContact CB-CE2 4.38Å; R42-F44 HydrophobicContact CG-CE2 3.94Å; R42-F44 HydrophobicContact CG-CZ 4.06Å
45G80.6Confident74.6Confident77 Ų77121.2 Ų121.279%0.79463%0.628SS**  trans-97.7144.7170.800000112.2
46R81.8Confident75.3Confident233 Ų233123.6 Ų123.688%0.87965%0.645SS**  trans-120.1137.3156.2-74.9-177.3174.2170.3-2.1108S48R46-S48 PolarHBondContact O-N 2.78Å; R46-S48 VanDerWaalsContact O-N 3.08Å; R46-S48 PolarHBondContact O-OG 3.39Å
47S82.4Confident76.2Confident133 Ų133120.6 Ų120.693%0.9363%0.63SS**  trans-58.1115.4172.5390000109.1
48S76.3Confident76.9Confident84 Ų84122.1 Ų122.159%0.58763%0.626SS**  trans-142.3128.4-179.946.20000108.3R46 L50R46-S48 PolarHBondContact O-N 2.78Å; R46-S48 VanDerWaalsContact O-N 3.08Å; R46-S48 PolarHBondContact O-OG 3.39Å; S48-L50 PolarHBondContact O-N 3.47Å
49K78.5Confident77.7Confident148 Ų148118.5 Ų118.564%0.64362%0.615SS**  trans-82100.5-179.1-156.2173.4-179.6-173.90107.2H51 E61K49-H51 WeakPolarHBondContact CB-NE2 3.18Å; K49-H51 WeakPolarHBondContact CD-NE2 3.21Å; K49-H51 WeakPolarHBondContact CG-NE2 3.3Å; K49-H51 PolarHBondContact O-CD2 3.17Å; K49-H51 PolarHBondContact O-N 3.5Å; K49-E61 WeakPolarHBondContact CE-OE1 3.5Å; K49-E61 IonicContact NZ-OE1 3.56Å; K49-E61 PolarHBondContact NZ-OE1 3.09Å
50L77.3Confident78.4Confident151 Ų151115 Ų11579%0.79161%0.607SS**  trans-79.588.1-173.5-70.7178.1000111S48 L52S48-L50 PolarHBondContact O-N 3.47Å; L50-L52 PolarHBondContact O-N 3.14Å
51H78.6Confident79.3Confident90 Ų90112.7 Ų112.742%0.41760%0.598SS.*  trans-78.394.1177.1-61.5-71.4000110.8K49 D53 T57 E61K49-H51 WeakPolarHBondContact CB-NE2 3.18Å; K49-H51 WeakPolarHBondContact CD-NE2 3.21Å; K49-H51 WeakPolarHBondContact CG-NE2 3.3Å; K49-H51 PolarHBondContact O-CD2 3.17Å; K49-H51 PolarHBondContact O-N 3.5Å; H51-D53 PolarHBondContact O-N 2.85Å; H51-T57 HydrophobicContact CB-CG2 4.45Å; H51-T57 WeakPolarHBondContact CB-OG1 3.38Å; H51-T57 WeakPolarHBondContact CE1-CG2 3.45Å; H51-T57 WeakPolarHBondContact ND1-CG2 3.2Å; H51-T57 PolarHBondContact ND1-OG1 3.28Å; H51-E61 IonicContact CE1-OE1 3.65Å; H51-E61 PolarHBondContact CE1-OE1 3.28Å
52L77.3Confident80Confident184 Ų184110 Ų11096%0.96359%0.585SS**SBendtrans-61.9-30.9177.5-72173.7000113.1L50L50-L52 PolarHBondContact O-N 3.14Å
53D83.2Confident80.7Confident82 Ų82109.4 Ų109.444%0.43959%0.594SS.*  trans-139.4134.2175.9-170.7-25.2000109.2H51 E55 V56 T57H51-D53 PolarHBondContact O-N 2.85Å; D53-E55 PolarHBondContact OD1-N 2.68Å; D53-V56 HydrophobicContact CB-CB 4.13Å; D53-V56 HydrophobicContact CB-CG2 3.94Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.04Å; D53-T57 PolarHBondContact O-OG1 2.9Å
54S83.5Confident81.3Confident64 Ų64108 Ų10845%0.44859%0.588SS.*Hα-helixtrans-73.6-31.9-179.5-170.70000112.5K58S54-K58 WeakPolarHBondContact O-CD 3.36Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 2.79Å; S54-K58 WeakPolarHBondContact OG-CE 3.38Å; S54-K58 PolarHBondContact OG-NZ 2.96Å; S54-K58 VanDerWaalsContact OG-NZ 3.07Å
55E83.9Confident81.6Confident154 Ų154102.9 Ų102.972%0.7257%0.568SS**Hα-helixtrans-77.1-46.1-178.2-62.1-164.7168.400111D53 T57 K58 A59D53-E55 PolarHBondContact OD1-N 2.68Å; E55-T57 PolarHBondContact O-N 3.18Å; E55-K58 PolarHBondContact O-N 3.16Å; E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.14Å
56V82.3Confident82Confident95 Ų95101 Ų10158%0.57654%0.539SS*.Hα-helixtrans-57.9-38.3171.9-177.80000110.9D53 A59 A60D53-V56 HydrophobicContact CB-CB 4.13Å; D53-V56 HydrophobicContact CB-CG2 3.94Å; V56-A59 PolarHBondContact O-N 3.13Å; V56-A60 WeakPolarHBondContact O-CB 3.42Å; V56-A60 PolarHBondContact O-N 3.47Å
57T82.1Confident82.2Confident20 Ų2092.7 Ų92.712%0.12351%0.511CS..Hα-helixtrans-61.8-52.8174-68.30000112.3H51 D53 E55 A59 A60 E61H51-T57 HydrophobicContact CB-CG2 4.45Å; H51-T57 WeakPolarHBondContact CB-OG1 3.38Å; H51-T57 WeakPolarHBondContact CE1-CG2 3.45Å; H51-T57 WeakPolarHBondContact ND1-CG2 3.2Å; H51-T57 PolarHBondContact ND1-OG1 3.28Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.42Å; D53-T57 PolarHBondContact O-N 3.04Å; D53-T57 PolarHBondContact O-OG1 2.9Å; E55-T57 PolarHBondContact O-N 3.18Å; T57-A59 PolarHBondContact O-N 3.47Å; T57-A60 PolarHBondContact O-N 2.98Å; T57-A60 VanDerWaalsContact O-N 3.12Å; T57-E61 HydrophobicContact CG2-CG 4.39Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 WeakPolarHBondContact O-CG 3.3Å; T57-E61 PolarHBondContact O-N 2.92Å
58K82.6Confident82.5Confident135 Ų13589.7 Ų89.759%0.58749%0.488SS*.Hα-helixtrans-62.5-30.3179.1-71.4161.1-176.81580112.2S54 E55 N62S54-K58 WeakPolarHBondContact O-CD 3.36Å; S54-K58 VanDerWaalsContact O-CG 3.26Å; S54-K58 WeakPolarHBondContact O-CG 3.4Å; S54-K58 PolarHBondContact O-N 2.79Å; S54-K58 WeakPolarHBondContact OG-CE 3.38Å; S54-K58 PolarHBondContact OG-NZ 2.96Å; S54-K58 VanDerWaalsContact OG-NZ 3.07Å; E55-K58 PolarHBondContact O-N 3.16Å; K58-N62 PolarHBondContact O-N 3Å
59A82.5Confident83Confident46 Ų4689 Ų8938%0.3847%0.473SS..Hα-helixtrans-71.8-42.1173.200000112.2E55 V56 T57 N62 N65E55-A59 WeakPolarHBondContact O-CB 3.39Å; E55-A59 PolarHBondContact O-N 3.14Å; V56-A59 PolarHBondContact O-N 3.13Å; T57-A59 PolarHBondContact O-N 3.47Å; A59-N62 VanDerWaalsContact O-CB 3.29Å; A59-N62 WeakPolarHBondContact O-CB 3.43Å; A59-N65 PolarHBondContact O-ND2 3.01Å
60A79.6Confident83.2Confident42 Ų4285.4 Ų85.435%0.34746%0.463SS..Hα-helixtrans-69.4-41177.400000112.4V56 T57 N62 M66V56-A60 WeakPolarHBondContact O-CB 3.42Å; V56-A60 PolarHBondContact O-N 3.47Å; T57-A60 PolarHBondContact O-N 2.98Å; T57-A60 VanDerWaalsContact O-N 3.12Å; A60-N62 PolarHBondContact O-N 3.3Å; A60-M66 WeakPolarHBondContact O-CG 3.17Å
61E82.8Confident83.2Confident93 Ų9379.2 Ų79.244%0.43544%0.435SS..THydrogen-bonded Turntrans-79.81.2179.5-63.7-177.8158.300113.6K49 H51 T57K49-E61 WeakPolarHBondContact CE-OE1 3.5Å; K49-E61 IonicContact NZ-OE1 3.56Å; K49-E61 PolarHBondContact NZ-OE1 3.09Å; H51-E61 IonicContact CE1-OE1 3.65Å; H51-E61 PolarHBondContact CE1-OE1 3.28Å; T57-E61 HydrophobicContact CG2-CG 4.39Å; T57-E61 WeakPolarHBondContact O-CB 3.3Å; T57-E61 WeakPolarHBondContact O-CG 3.3Å; T57-E61 PolarHBondContact O-N 2.92Å
62N83.9Confident83.4Confident60 Ų6077.8 Ų77.832%0.32143%0.431SS..  trans-66.3128.1177.1-171.1-32.8000110.3K58 A59 A60 N64 N65 M66K58-N62 PolarHBondContact O-N 3Å; A59-N62 VanDerWaalsContact O-CB 3.29Å; A59-N62 WeakPolarHBondContact O-CB 3.43Å; A60-N62 PolarHBondContact O-N 3.3Å; N62-N64 PolarHBondContact O-N 2.9Å; N62-N64 WeakPolarHBondContact OD1-CB 3.13Å; N62-N64 PolarHBondContact OD1-N 3.24Å; N62-N65 PolarHBondContact O-N 3.11Å; N62-M66 PolarHBondContact O-N 3.35Å
63P82.2Confident83.7Confident94 Ų9473.6 Ų73.661%0.6142%0.415SS*.THydrogen-bonded Turntrans-60.4-16.9177.924.5-35000114.2M66 R79P63-M66 VanDerWaalsContact O-O 3.05Å; P63-R79 PolarHBondContact O-NH2 3.23Å
64N85.2Confident83.9Confident118 Ų11874 Ų7463%0.63142%0.424SS*.THydrogen-bonded Turntrans-76.3-20.8171.3-70.2-7.1000113.8N62 R79N62-N64 PolarHBondContact O-N 2.9Å; N62-N64 WeakPolarHBondContact OD1-CB 3.13Å; N62-N64 PolarHBondContact OD1-N 3.24Å; N64-R79 VanDerWaalsContact O-CD 3.25Å; N64-R79 WeakPolarHBondContact O-CD 3.47Å; N64-R79 PolarHBondContact O-NE 3.44Å; N64-R79 PolarHBondContact O-NH1 2.93Å
65N86.2Confident83.9Confident57 Ų5774.3 Ų74.331%0.30542%0.42SS..THydrogen-bonded Turntrans-102.7-17.7176.6-72.6-12.5000112.7A59 N62 R79A59-N65 PolarHBondContact O-ND2 3.01Å; N62-N65 PolarHBondContact O-N 3.11Å; N65-R79 WeakPolarHBondContact O-CB 3.25Å; N65-R79 VanDerWaalsContact O-CG 3.25Å; N65-R79 WeakPolarHBondContact O-CG 3.27Å; N65-R79 PolarHBondContact O-N 3.41Å
66M89.1Confident84.1Confident39 Ų3971.4 Ų71.419%0.19241%0.408CS..EExtended strand (participates in β ladder)trans-93.1151.8172.5-59.8-62.8-67.800111.8A60 N62 P63 M76 I77 R79A60-M66 WeakPolarHBondContact O-CG 3.17Å; N62-M66 PolarHBondContact O-N 3.35Å; P63-M66 VanDerWaalsContact O-O 3.05Å; M66-M76 HydrophobicContact CB-CE 3.7Å; M66-M76 VanDerWaalsContact CE-C 3.44Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.37Å; M66-I77 CarbonylContact C-O 3.5Å; M66-I77 VanDerWaalsContact CA-O 3.3Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å; M66-I77 VanDerWaalsContact CE-C 3.43Å; M66-R79 PolarHBondContact O-NE 2.85Å; M66-R79 PolarHBondContact O-NH2 3.29Å; M66-R79 VanDerWaalsContact O-NH2 3.1Å
67M87.8Confident84.3Confident58 Ų5867 Ų6729%0.28638%0.381SS..EExtended strand (participates in β ladder)trans-137.5156.6166.361.4159.77200110.4M76 I77 R79 A84M67-M76 VanDerWaalsContact C-CE 3.44Å; M67-M76 CarbonylContact O-C 3.58Å; M67-M76 WeakPolarHBondContact O-CA 3.44Å; M67-I77 HydrophobicContact CG-CD1 4.46Å; M67-I77 HydrophobicContact CG-CG1 3.91Å; M67-I77 PolarHBondContact N-O 3.29Å; M67-I77 PolarHBondContact O-N 3.31Å; M67-R79 HydrophobicContact CB-CG 3.88Å; M67-R79 HydrophobicContact CE-CB 4.08Å; M67-R79 HydrophobicContact CE-CG 3.74Å; M67-R79 HydrophobicContact CG-CG 3.87Å; M67-A84 HydrophobicContact CE-CB 3.96Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.61Å
68P88Confident84.7Confident70 Ų7068.9 Ų68.946%0.45539%0.39SS..EExtended strand (participates in β ladder)trans-62.9138.7168.3-16.830.8000110P73 M76P68-P73 HydrophobicContact CB-CB 4.14Å; P68-M76 HydrophobicContact CB-SD 4.26Å; P68-M76 HydrophobicContact CG-SD 4.01Å
69W86Confident85Confident70 Ų7067.9 Ų67.927%0.26538%0.383SS..  trans-68.1137.5168.7178.641.5000109.5G71 D72 I75 I77W69-G71 PolarHBondContact O-N 2.86Å; W69-D72 HydrophobicContact CE3-CB 3.89Å; W69-D72 VanDerWaalsContact CE3-N 3.27Å; W69-D72 HydrophobicContact CZ3-CB 4.03Å; W69-D72 CarbonylContact O-C 3.54Å; W69-D72 VanDerWaalsContact O-C 3.27Å; W69-D72 PolarHBondContact O-N 3.24Å; W69-I75 HydrophobicContact CB-CB 4.45Å; W69-I75 VanDerWaalsContact CB-O 3.31Å; W69-I75 WeakPolarHBondContact CB-O 3.27Å; W69-I75 HydrophobicContact CE3-CB 4.37Å; W69-I75 HydrophobicContact CE3-CD1 4.1Å; W69-I75 HydrophobicContact CZ3-CD1 4.23Å; W69-I75 PolarHBondContact N-O 3.19Å; W69-I77 HydrophobicContact CB-CD1 4.03Å; W69-I77 HydrophobicContact CB-CG1 4.21Å; W69-I77 HydrophobicContact CB-CG2 3.96Å; W69-I77 HydrophobicContact CG-CD1 4.32Å
70V83Confident85.1Confident71 Ų7174.1 Ų74.143%0.4340%0.401SS..SBendtrans-58.9-32.8178.4-147.60000111.4Y89V70-Y89 HydrophobicContact CB-CD1 3.8Å; V70-Y89 HydrophobicContact CB-CE1 3.82Å; V70-Y89 HydrophobicContact CG1-CD1 4.06Å; V70-Y89 HydrophobicContact CG1-CE1 3.74Å; V70-Y89 WeakPolarHBondContact O-CE1 3.29Å; V70-Y89 VanDerWaalsContact O-CZ 3.3Å; V70-Y89 PolarHBondContact O-OH 3.1Å
71G78.5Confident85.5Confident21 Ų2174.1 Ų74.122%0.21640%0.396CS..SBendtrans-71.5-37.7-177.700000115.8W69 Y89W69-G71 PolarHBondContact O-N 2.86Å; G71-Y89 VanDerWaalsContact CA-CE2 3.5Å
72D80.9Confident85.6Confident60 Ų6075.2 Ų75.232%0.32141%0.409SS..  trans-150.4111174.2174.7-0.4000107.7W69 S74 I75W69-D72 HydrophobicContact CE3-CB 3.89Å; W69-D72 VanDerWaalsContact CE3-N 3.27Å; W69-D72 HydrophobicContact CZ3-CB 4.03Å; W69-D72 CarbonylContact O-C 3.54Å; W69-D72 VanDerWaalsContact O-C 3.27Å; W69-D72 PolarHBondContact O-N 3.24Å; D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.45Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 3.05Å; D72-S74 PolarHBondContact OD2-OG 3.48Å; D72-I75 HydrophobicContact CB-CD1 4.16Å; D72-I75 HydrophobicContact CB-CG1 4.21Å; D72-I75 PolarHBondContact O-N 3.01Å
73P85Confident85.6Confident96 Ų9677.2 Ų77.262%0.62341%0.412SS*.THydrogen-bonded Turntrans-70.1-6.2-177.529.9-35.8000113.7P68 I75P68-P73 HydrophobicContact CB-CB 4.14Å; P73-I75 VanDerWaalsContact C-N 3.29Å
74S86.4Confident85.7Confident92 Ų9273.8 Ų73.864%0.64339%0.391SS*.THydrogen-bonded Turntrans-72.8-23.9167.885.60000112.5D72 M76D72-S74 PolarHBondContact O-N 3.32Å; D72-S74 VanDerWaalsContact O-N 3.13Å; D72-S74 WeakPolarHBondContact OD1-CB 3.45Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 3.05Å; D72-S74 PolarHBondContact OD2-OG 3.48Å; S74-M76 PolarHBondContact O-N 3.21Å
75I84.7Confident85.6Confident70 Ų7072.7 Ų72.736%0.35939%0.393SS..SBendtrans-94101.8-178.7-57.5-179.9000109.3W69 D72 P73 I77W69-I75 HydrophobicContact CB-CB 4.45Å; W69-I75 VanDerWaalsContact CB-O 3.31Å; W69-I75 WeakPolarHBondContact CB-O 3.27Å; W69-I75 HydrophobicContact CE3-CB 4.37Å; W69-I75 HydrophobicContact CE3-CD1 4.1Å; W69-I75 HydrophobicContact CZ3-CD1 4.23Å; W69-I75 PolarHBondContact N-O 3.19Å; D72-I75 HydrophobicContact CB-CD1 4.16Å; D72-I75 HydrophobicContact CB-CG1 4.21Å; D72-I75 PolarHBondContact O-N 3.01Å; P73-I75 VanDerWaalsContact C-N 3.29Å; I75-I77 HydrophobicContact CG2-CG2 4.23Å
76M87.3Confident85.3Confident93 Ų9374.3 Ų74.346%0.45840%0.401SS..EExtended strand (participates in β ladder)trans-73.3131170.3-62.1-63-64.200110.6M66 M67 P68 S74M66-M76 HydrophobicContact CB-CE 3.7Å; M66-M76 VanDerWaalsContact CE-C 3.44Å; M66-M76 HydrophobicContact CE-CB 3.67Å; M66-M76 WeakPolarHBondContact CE-O 3.37Å; M67-M76 VanDerWaalsContact C-CE 3.44Å; M67-M76 CarbonylContact O-C 3.58Å; M67-M76 WeakPolarHBondContact O-CA 3.44Å; P68-M76 HydrophobicContact CB-SD 4.26Å; P68-M76 HydrophobicContact CG-SD 4.01Å; S74-M76 PolarHBondContact O-N 3.21Å
77I87.2Confident84.4Confident2 Ų280.2 Ų80.21%0.0143%0.428CS..EExtended strand (participates in β ladder)trans-120.3158.2175.560.4172000110.9M66 M67 W69 I75 D81 R83 A84M66-I77 CarbonylContact C-O 3.5Å; M66-I77 VanDerWaalsContact CA-O 3.3Å; M66-I77 WeakPolarHBondContact CA-O 3.46Å; M66-I77 VanDerWaalsContact CE-C 3.43Å; M67-I77 HydrophobicContact CG-CD1 4.46Å; M67-I77 HydrophobicContact CG-CG1 3.91Å; M67-I77 PolarHBondContact N-O 3.29Å; M67-I77 PolarHBondContact O-N 3.31Å; W69-I77 HydrophobicContact CB-CD1 4.03Å; W69-I77 HydrophobicContact CB-CG1 4.21Å; W69-I77 HydrophobicContact CB-CG2 3.96Å; W69-I77 HydrophobicContact CG-CD1 4.32Å; I75-I77 HydrophobicContact CG2-CG2 4.23Å; I77-D81 HydrophobicContact CB-CB 4.42Å; I77-R83 HydrophobicContact CD1-CB 3.9Å; I77-R83 VanDerWaalsContact CG2-CZ 3.48Å; I77-A84 HydrophobicContact CD1-CB 4Å
78D89.7Confident83.4Confident60 Ų6085.3 Ų85.332%0.32145%0.451SS..EExtended strand (participates in β ladder)trans-64.3139.5170.7-171.6-36.3000109.2F80 D81D78-F80 PolarHBondContact O-N 2.73Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.17Å; D78-F80 PolarHBondContact OD1-N 2.84Å; D78-D81 HydrophobicContact CB-CB 4.21Å; D78-D81 WeakPolarHBondContact O-CB 3.44Å; D78-D81 PolarHBondContact O-N 2.91Å
79R88.3Confident82.2Confident114 Ų11486.2 Ų86.243%0.4345%0.446SS..THydrogen-bonded Turntrans-63.7-17.4176.2-70.5176.5-170.3-149.99113.4P63 N64 N65 M66 M67P63-R79 PolarHBondContact O-NH2 3.23Å; N64-R79 VanDerWaalsContact O-CD 3.25Å; N64-R79 WeakPolarHBondContact O-CD 3.47Å; N64-R79 PolarHBondContact O-NE 3.44Å; N64-R79 PolarHBondContact O-NH1 2.93Å; N65-R79 WeakPolarHBondContact O-CB 3.25Å; N65-R79 VanDerWaalsContact O-CG 3.25Å; N65-R79 WeakPolarHBondContact O-CG 3.27Å; N65-R79 PolarHBondContact O-N 3.41Å; M66-R79 PolarHBondContact O-NE 2.85Å; M66-R79 PolarHBondContact O-NH2 3.29Å; M66-R79 VanDerWaalsContact O-NH2 3.1Å; M67-R79 HydrophobicContact CB-CG 3.88Å; M67-R79 HydrophobicContact CE-CB 4.08Å; M67-R79 HydrophobicContact CE-CG 3.74Å; M67-R79 HydrophobicContact CG-CG 3.87Å
80F84.4Confident81Confident176 Ų17687.9 Ų87.977%0.77246%0.46SS*.THydrogen-bonded Turntrans-101.45.1173.5-53.4-73.4000113.1D78D78-F80 PolarHBondContact O-N 2.73Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.17Å; D78-F80 PolarHBondContact OD1-N 2.84Å
81D88.4Confident79.8Confident43 Ų4389.3 Ų89.323%0.2347%0.469CS..SBendtrans-64.7142.2169.8-165.9-64.3000110.2I77 D78 R83 A84I77-D81 HydrophobicContact CB-CB 4.42Å; D78-D81 HydrophobicContact CB-CB 4.21Å; D78-D81 WeakPolarHBondContact O-CB 3.44Å; D78-D81 PolarHBondContact O-N 2.91Å; D81-R83 PolarHBondContact O-N 3.44Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 VanDerWaalsContact OD1-CG 3.28Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 3.66Å; D81-R83 PolarHBondContact OD1-N 3.05Å; D81-R83 IonicContact OD1-NE 2.74Å; D81-R83 PolarHBondContact OD1-NE 3.16Å; D81-R83 IonicContact OD1-NH2 2.82Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 IonicContact OD2-NE 3.97Å; D81-R83 PolarHBondContact OD2-NE 3.13Å; D81-R83 IonicContact OD2-NH2 2.67Å; D81-R83 PolarHBondContact OD2-NH2 3.17Å; D81-A84 VanDerWaalsContact O-CB 3.3Å; D81-A84 WeakPolarHBondContact O-CB 3.39Å; D81-A84 PolarHBondContact O-N 2.98Å
82V86.3Confident78.6Confident116 Ų11695.9 Ų95.970%0.70349%0.488SS*.G310 helixtrans-58.6-28.2177.9-178.50000111.6A84 S85V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.2Å; V82-S85 PolarHBondContact O-N 2.95Å
83R84Confident77.3Confident101 Ų10199.5 Ų99.538%0.38151%0.511SS..G310 helixtrans-66.6-25.7174.5-64.4173.4-70.5164.4-2.2113.7I77 D81 S85 L86I77-R83 HydrophobicContact CD1-CB 3.9Å; I77-R83 VanDerWaalsContact CG2-CZ 3.48Å; D81-R83 PolarHBondContact O-N 3.44Å; D81-R83 VanDerWaalsContact O-N 3.1Å; D81-R83 VanDerWaalsContact OD1-CB 3.24Å; D81-R83 WeakPolarHBondContact OD1-CB 3.41Å; D81-R83 VanDerWaalsContact OD1-CG 3.28Å; D81-R83 WeakPolarHBondContact OD1-CG 3.41Å; D81-R83 IonicContact OD1-CZ 3.66Å; D81-R83 PolarHBondContact OD1-N 3.05Å; D81-R83 IonicContact OD1-NE 2.74Å; D81-R83 PolarHBondContact OD1-NE 3.16Å; D81-R83 IonicContact OD1-NH2 2.82Å; D81-R83 IonicContact OD2-CZ 2.66Å; D81-R83 IonicContact OD2-NE 3.97Å; D81-R83 PolarHBondContact OD2-NE 3.13Å; D81-R83 IonicContact OD2-NH2 2.67Å; D81-R83 PolarHBondContact OD2-NH2 3.17Å; R83-S85 PolarHBondContact O-N 3.05Å; R83-L86 PolarHBondContact O-N 3.15Å
84A84.1Confident75.8Confident22 Ų2298.1 Ų98.118%0.18251%0.508CS..G310 helixtrans-71.6-22.4174.400000112.2M67 I77 D81 V82 L86M67-A84 HydrophobicContact CE-CB 3.96Å; M67-A84 HydrophobicContact CG-CB 4.49Å; M67-A84 HydrophobicContact SD-CB 3.61Å; I77-A84 HydrophobicContact CD1-CB 4Å; D81-A84 VanDerWaalsContact O-CB 3.3Å; D81-A84 WeakPolarHBondContact O-CB 3.39Å; D81-A84 PolarHBondContact O-N 2.98Å; V82-A84 VanDerWaalsContact C-N 3.3Å; V82-A84 PolarHBondContact O-N 3.2Å; A84-L86 VanDerWaalsContact C-N 3.35Å
85S82Confident74.2Confident96 Ų96100 Ų10067%0.67151%0.511SS*.G310 helixtrans-87.30.2174.4-57.20000113.7V82 R83 E87V82-S85 PolarHBondContact O-N 2.95Å; R83-S85 PolarHBondContact O-N 3.05Å; S85-E87 PolarHBondContact O-N 3.38Å
86L79.9Confident72.9Confident90 Ų90102.8 Ų102.847%0.47153%0.527SS..  trans-88.979.1174.6-61.3179.1000109.4R83 A84 H88R83-L86 PolarHBondContact O-N 3.15Å; A84-L86 VanDerWaalsContact C-N 3.35Å; L86-H88 PolarHBondContact O-N 3.24Å; L86-H88 VanDerWaalsContact O-N 3.07Å
87E70.4Confident71.9Confident163 Ų163104.7 Ų104.776%0.76254%0.537SS*.SBendtrans-52.6-31.2-179.7-62.7-176.9160.500113.2S85S85-E87 PolarHBondContact O-N 3.38Å
88H66Low71Confident166 Ų166112.4 Ų112.477%0.76957%0.571SS**  trans-132.5110.5176.2-63.579.5000109.5L86L86-H88 PolarHBondContact O-N 3.24Å; L86-H88 VanDerWaalsContact O-N 3.07Å
89Y63.3Low70.1Confident88 Ų88112.9 Ų112.935%0.34557%0.573SS.*  trans-89.1119.7154.671.4-67.5000105.8V70 G71 T91V70-Y89 HydrophobicContact CB-CD1 3.8Å; V70-Y89 HydrophobicContact CB-CE1 3.82Å; V70-Y89 HydrophobicContact CG1-CD1 4.06Å; V70-Y89 HydrophobicContact CG1-CE1 3.74Å; V70-Y89 WeakPolarHBondContact O-CE1 3.29Å; V70-Y89 VanDerWaalsContact O-CZ 3.3Å; V70-Y89 PolarHBondContact O-OH 3.1Å; G71-Y89 VanDerWaalsContact CA-CE2 3.5Å; Y89-T91 HydrophobicContact CD2-CG2 4.15Å; Y89-T91 HydrophobicContact CE2-CG2 3.69Å; Y89-T91 WeakPolarHBondContact CE2-OG1 3.34Å; Y89-T91 PolarHBondContact O-N 2.92Å
90D61.4Low69.6Low105 Ų105109.6 Ų109.656%0.56157%0.567SS**  trans-83.8100.9174.8-154.1-3.7000107.1R92D90-R92 VanDerWaalsContact CG-NH1 3.28Å; D90-R92 PolarHBondContact O-N 3.42Å; D90-R92 WeakPolarHBondContact OD1-CG 3.22Å; D90-R92 IonicContact OD1-CZ 2.73Å; D90-R92 IonicContact OD1-NE 3.3Å; D90-R92 IonicContact OD1-NH1 2.68Å; D90-R92 PolarHBondContact OD1-NH1 3.31Å; D90-R92 IonicContact OD2-CZ 2.74Å; D90-R92 IonicContact OD2-NH1 2.63Å; D90-R92 PolarHBondContact OD2-NH1 2.87Å
91T58.4Low69.1Low102 Ų102104.4 Ų104.463%0.62655%0.553SS**  trans-65.30.3-178.6-12.40000113.8Y89 V93Y89-T91 HydrophobicContact CD2-CG2 4.15Å; Y89-T91 HydrophobicContact CE2-CG2 3.69Å; Y89-T91 WeakPolarHBondContact CE2-OG1 3.34Å; Y89-T91 PolarHBondContact O-N 2.92Å; T91-V93 PolarHBondContact O-N 2.76Å
92R52.2Low68.3Low159 Ų159104.7 Ų104.760%0.656%0.557SS**SBendtrans-54.7104.1164.6-67.1179.8-179.5114.92.6109.1D90 A94D90-R92 VanDerWaalsContact CG-NH1 3.28Å; D90-R92 PolarHBondContact O-N 3.42Å; D90-R92 WeakPolarHBondContact OD1-CG 3.22Å; D90-R92 IonicContact OD1-CZ 2.73Å; D90-R92 IonicContact OD1-NE 3.3Å; D90-R92 IonicContact OD1-NH1 2.68Å; D90-R92 PolarHBondContact OD1-NH1 3.31Å; D90-R92 IonicContact OD2-CZ 2.74Å; D90-R92 IonicContact OD2-NH1 2.63Å; D90-R92 PolarHBondContact OD2-NH1 2.87Å; R92-A94 PolarHBondContact O-N 3.35Å
93V54.4Low68Low135 Ų135103.9 Ų103.982%0.81855%0.545SS*.  trans-45.5116.4159.5177.60000106.3T91 D95T91-V93 PolarHBondContact O-N 2.76Å; V93-D95 PolarHBondContact O-N 3.2Å
94A52.3Low67.6Low68 Ų68104.8 Ų104.856%0.56255%0.548SS*.  trans-54.2102.9-157.500000112.6R92 D96 I97R92-A94 PolarHBondContact O-N 3.35Å; A94-D96 PolarHBondContact O-N 2.81Å; A94-I97 HydrophobicContact CB-CG1 4.48Å; A94-I97 PolarHBondContact O-N 2.84Å
95D53.8Low67.3Low131 Ų131105.3 Ų105.370%0.70155%0.548SS*.THydrogen-bonded Turntrans-50.7105.1-164.2-70.4-54.8000111.7V93V93-D95 PolarHBondContact O-N 3.2Å
96D58Low67.2Low128 Ų128103.8 Ų103.868%0.68453%0.53SS*.THydrogen-bonded Turntrans36.487-172.3-71.6-26.7000114A94 K98A94-D96 PolarHBondContact O-N 2.81Å; D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 HydrophobicContact CB-CG 3.95Å; D96-K98 WeakPolarHBondContact O-CG 3.43Å; D96-K98 PolarHBondContact O-N 2.89Å
97I66.2Low67.2Low133 Ų133101.4 Ų101.468%0.68252%0.523SS*.  trans-58.3102148.8-62-179.8000106A94 L99A94-I97 HydrophobicContact CB-CG1 4.48Å; A94-I97 PolarHBondContact O-N 2.84Å; I97-L99 HydrophobicContact CG2-CD2 4.36Å; I97-L99 PolarHBondContact O-N 2.83Å
98K68.1Low67.8Low165 Ų16595.2 Ų95.272%0.71749%0.493SS*.  trans-73.471.9-173.4-76.8168.4-171.5172.30110.9D96 S100D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 HydrophobicContact CB-CG 3.95Å; D96-K98 WeakPolarHBondContact O-CG 3.43Å; D96-K98 PolarHBondContact O-N 2.89Å; K98-S100 PolarHBondContact O-N 3.43Å
99L69.7Low68.7Low69 Ų6987.9 Ų87.936%0.36146%0.459SS..  trans-43.3125.1171.3-63176.5000108.7I97 E103 R104I97-L99 HydrophobicContact CG2-CD2 4.36Å; I97-L99 PolarHBondContact O-N 2.83Å; L99-E103 HydrophobicContact CB-CB 4.06Å; L99-E103 HydrophobicContact CD2-CB 4.03Å; L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.4Å; L99-R104 PolarHBondContact O-NE 2.96Å
100S77.9Confident69.7Low45 Ų4586.9 Ų86.932%0.31547%0.465SS..  trans-56.7158.8170.863.10000110.3K98 T102 E103 R104K98-S100 PolarHBondContact O-N 3.43Å; S100-T102 PolarHBondContact O-N 3.47Å; S100-T102 VanDerWaalsContact O-N 3.1Å; S100-T102 PolarHBondContact OG-OG1 2.87Å; S100-E103 WeakPolarHBondContact CB-OE2 3.44Å; S100-E103 PolarHBondContact N-OE2 3.03Å; S100-E103 PolarHBondContact O-N 2.81Å; S100-E103 VanDerWaalsContact OG-CD 3.22Å; S100-E103 WeakPolarHBondContact OG-CG 3.45Å; S100-E103 PolarHBondContact OG-N 3.25Å; S100-E103 VanDerWaalsContact OG-N 3.15Å; S100-E103 PolarHBondContact OG-OE2 3.31Å; S100-R104 WeakPolarHBondContact O-CG 3.47Å; S100-R104 PolarHBondContact O-N 3.03Å
101S73.8Confident71Confident68 Ų6883.6 Ų83.648%0.47645%0.447SS..Hα-helixtrans-55.8-31.3175.9520000112.5I105S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.17Å; S101-I105 PolarHBondContact O-N 2.85Å
102T72.9Confident72.4Confident49 Ų4978.7 Ų78.730%0.30142%0.417SS..Hα-helixtrans-62.7-52.716927.80000113S100 R104 I105 E106 I362S100-T102 PolarHBondContact O-N 3.47Å; S100-T102 VanDerWaalsContact O-N 3.1Å; S100-T102 PolarHBondContact OG-OG1 2.87Å; T102-R104 PolarHBondContact O-N 3.27Å; T102-I105 PolarHBondContact O-N 2.73Å; T102-E106 WeakPolarHBondContact O-CG 3.29Å; T102-E106 PolarHBondContact O-N 3.39Å; T102-I362 HydrophobicContact CG2-CD1 3.8Å
103E78.5Confident74.1Confident98 Ų9875.7 Ų75.746%0.45841%0.41SS..Hα-helixtrans-67.7-33.2-178.8-68.6154.7142.500112.4L99 S100 E106 A107L99-E103 HydrophobicContact CB-CB 4.06Å; L99-E103 HydrophobicContact CD2-CB 4.03Å; S100-E103 WeakPolarHBondContact CB-OE2 3.44Å; S100-E103 PolarHBondContact N-OE2 3.03Å; S100-E103 PolarHBondContact O-N 2.81Å; S100-E103 VanDerWaalsContact OG-CD 3.22Å; S100-E103 WeakPolarHBondContact OG-CG 3.45Å; S100-E103 PolarHBondContact OG-N 3.25Å; S100-E103 VanDerWaalsContact OG-N 3.15Å; S100-E103 PolarHBondContact OG-OE2 3.31Å; E103-E106 PolarHBondContact O-N 3.04Å; E103-A107 WeakPolarHBondContact O-CB 3.19Å; E103-A107 PolarHBondContact O-N 3.16Å
104R77.4Confident75.8Confident121 Ų12176 Ų7646%0.45740%0.396SS..Hα-helixtrans-61.3-45.6171.9-68.9178.7-171.8-147.9-9.2111.6L99 S100 T102 A107 R108L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.4Å; L99-R104 PolarHBondContact O-NE 2.96Å; S100-R104 WeakPolarHBondContact O-CG 3.47Å; S100-R104 PolarHBondContact O-N 3.03Å; T102-R104 PolarHBondContact O-N 3.27Å; R104-A107 PolarHBondContact O-N 3.36Å; R104-R108 VanDerWaalsContact O-CG 3.27Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 2.73Å; R104-R108 VanDerWaalsContact O-N 3.09Å
105I76.3Confident77.6Confident33 Ų3375.5 Ų75.517%0.16938%0.38CS..Hα-helixtrans-67.6-40.4177.2-61.4162.2000109.9S101 T102 A107 R108 L109 L307S101-I105 WeakPolarHBondContact O-CD1 3.38Å; S101-I105 VanDerWaalsContact O-CG1 3.23Å; S101-I105 WeakPolarHBondContact O-CG1 3.17Å; S101-I105 PolarHBondContact O-N 2.85Å; T102-I105 PolarHBondContact O-N 2.73Å; I105-A107 PolarHBondContact O-N 3.29Å; I105-R108 PolarHBondContact O-N 3.44Å; I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.43Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.37Å; I105-L109 PolarHBondContact O-N 3.05Å; I105-L307 HydrophobicContact CB-CD2 4.34Å; I105-L307 HydrophobicContact CG2-CD2 3.61Å
106E79.6Confident79.3Confident63 Ų6371.1 Ų71.129%0.29435%0.354SS..Hα-helixtrans-60.7-44.3175.5-70.4178.5-141.500112.2T102 E103 R108 L109 C110 R303T102-E106 WeakPolarHBondContact O-CG 3.29Å; T102-E106 PolarHBondContact O-N 3.39Å; E103-E106 PolarHBondContact O-N 3.04Å; E106-R108 PolarHBondContact O-N 3.35Å; E106-L109 PolarHBondContact O-N 3.14Å; E106-L109 VanDerWaalsContact O-N 3.15Å; E106-C110 PolarHBondContact O-N 3.32Å; E106-C110 PolarHBondContact O-SG 2.83Å; E106-C110 VanDerWaalsContact O-SG 3.35Å; E106-R303 IonicContact OE1-CZ 2.62Å; E106-R303 IonicContact OE1-NH1 4Å; E106-R303 PolarHBondContact OE1-NH1 3.47Å; E106-R303 IonicContact OE1-NH2 3.68Å; E106-R303 PolarHBondContact OE1-NH2 2.81Å; E106-R303 IonicContact OE2-CZ 2.85Å; E106-R303 IonicContact OE2-NH1 3.81Å; E106-R303 PolarHBondContact OE2-NH1 3Å; E106-R303 IonicContact OE2-NH2 3.66Å
107A81.8Confident80.6Confident40 Ų4068.5 Ų68.533%0.33134%0.344SS..Hα-helixtrans-59.4-42.5174.900000112.5E103 R104 I105 L109 C110 N111E103-A107 WeakPolarHBondContact O-CB 3.19Å; E103-A107 PolarHBondContact O-N 3.16Å; R104-A107 PolarHBondContact O-N 3.36Å; I105-A107 PolarHBondContact O-N 3.29Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.42Å; A107-C110 PolarHBondContact O-N 3.32Å; A107-N111 PolarHBondContact O-N 3.24Å
108R83Confident81.7Confident34 Ų3466.2 Ų66.213%0.12833%0.333CS..Hα-helixtrans-60.1-40.2174.8-68.7167.774.5140.56.4112.1R104 I105 E106 Y112 D235 G315 Y317R104-R108 VanDerWaalsContact O-CG 3.27Å; R104-R108 WeakPolarHBondContact O-CG 3.34Å; R104-R108 PolarHBondContact O-N 2.73Å; R104-R108 VanDerWaalsContact O-N 3.09Å; I105-R108 PolarHBondContact O-N 3.44Å; E106-R108 PolarHBondContact O-N 3.35Å; R108-Y112 PolarHBondContact O-N 3.49Å; R108-D235 IonicContact CZ-OD1 2.55Å; R108-D235 IonicContact CZ-OD2 3.2Å; R108-D235 VanDerWaalsContact CZ-OD2 3.28Å; R108-D235 IonicContact NE-OD1 3.1Å; R108-D235 IonicContact NE-OD2 2.66Å; R108-D235 PolarHBondContact NE-OD2 2.92Å; R108-D235 VanDerWaalsContact NH2-CG 3.26Å; R108-D235 IonicContact NH2-OD1 3.96Å; R108-D235 PolarHBondContact NH2-OD1 3.43Å; R108-D235 IonicContact NH2-OD2 3.73Å; R108-D235 PolarHBondContact NH2-OD2 3.19Å; R108-G315 PolarHBondContact NH1-O 3Å; R108-Y317 HydrophobicContact CG-CD2 4.49Å; R108-Y317 HydrophobicContact CG-CE2 3.58Å
109L83.7Confident82.8Confident12 Ų1258.3 Ų58.36%0.06330%0.299CS..Hα-helixtrans-72.2-39.2177.5-61.6177.4000112.1I105 E106 A107 Y112 E113 L239 Y306I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.43Å; I105-L109 VanDerWaalsContact O-CG 3.29Å; I105-L109 WeakPolarHBondContact O-CG 3.37Å; I105-L109 PolarHBondContact O-N 3.05Å; E106-L109 PolarHBondContact O-N 3.14Å; E106-L109 VanDerWaalsContact O-N 3.15Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.42Å; L109-Y112 PolarHBondContact O-N 2.92Å; L109-E113 PolarHBondContact O-N 3.21Å; L109-L239 HydrophobicContact CD2-CD1 3.78Å; L109-L239 HydrophobicContact CD2-CD2 3.45Å; L109-L239 VanDerWaalsContact CD2-CD2 3.45Å; L109-L239 HydrophobicContact CD2-CG 4.3Å; L109-Y306 HydrophobicContact CD1-CD2 4.08Å; L109-Y306 HydrophobicContact CD1-CG 4.27Å; L109-Y306 HydrophobicContact CD2-CD2 3.99Å; L109-Y306 HydrophobicContact CD2-CG 3.87Å; L109-Y306 HydrophobicContact CG-CD2 4.39Å
110C85.3Confident83.6Confident67 Ų6755.8 Ų55.845%0.45329%0.285SS..Hα-helixtrans-66.6-34.7173.9-68.10000112.6E106 A107 R114E106-C110 PolarHBondContact O-N 3.32Å; E106-C110 PolarHBondContact O-SG 2.83Å; E106-C110 VanDerWaalsContact O-SG 3.35Å; A107-C110 PolarHBondContact O-N 3.32Å; C110-R114 WeakPolarHBondContact O-CB 3.48Å; C110-R114 PolarHBondContact O-N 3.07Å
111N87.5Confident84.1Confident35 Ų3554.9 Ų54.919%0.18728%0.277CS..Hα-helixtrans-66.5-42.6171.6-79.512.5000111.1A107 R114 Y115 G230 L231A107-N111 PolarHBondContact O-N 3.24Å; N111-R114 PolarHBondContact O-N 3.06Å; N111-R114 PolarHBondContact OD1-NH1 3.01Å; N111-R114 PolarHBondContact OD1-NH2 2.93Å; N111-Y115 HydrophobicContact CB-CD2 4.34Å; N111-Y115 HydrophobicContact CB-CE2 4.42Å; N111-Y115 WeakPolarHBondContact O-CD2 3.46Å; N111-Y115 PolarHBondContact O-N 3.31Å; N111-G230 PolarHBondContact ND2-O 2.86Å; N111-L231 HydrophobicContact CB-CD1 4.48Å
112Y89.2Confident84.8Confident0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-58.3-53.2172.7172.5-102.5000112.2R108 L109 R114 Y115 R116 L231 F236 L239 L240 D243 Y306R108-Y112 PolarHBondContact O-N 3.49Å; L109-Y112 PolarHBondContact O-N 2.92Å; Y112-R114 VanDerWaalsContact C-N 3.27Å; Y112-R114 PolarHBondContact O-N 3.32Å; Y112-Y115 PolarHBondContact O-N 3.35Å; Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact OH-CD 3.36Å; Y112-L231 HydrophobicContact CD2-CD2 4.41Å; Y112-F236 AromaticContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CE2 4.19Å; Y112-F236 HydrophobicContact CD2-CG 4.42Å; Y112-F236 AromaticContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CE2 4.01Å; Y112-F236 HydrophobicContact CE2-CG 4.31Å; Y112-F236 HydrophobicContact CE2-CZ 4.4Å; Y112-L239 HydrophobicContact CD1-CB 3.9Å; Y112-L239 HydrophobicContact CD1-CD1 4.09Å; Y112-L239 HydrophobicContact CD2-CB 3.74Å; Y112-L239 HydrophobicContact CD2-CD1 4Å; Y112-L239 HydrophobicContact CE1-CB 3.83Å; Y112-L239 HydrophobicContact CE2-CB 3.65Å; Y112-L239 HydrophobicContact CG-CB 3.86Å; Y112-L239 HydrophobicContact CG-CD1 3.61Å; Y112-L239 HydrophobicContact CG-CG 4.37Å; Y112-L240 WeakPolarHBondContact OH-CA 3.43Å; Y112-L240 PolarHBondContact OH-N 2.96Å; Y112-D243 WeakPolarHBondContact CE1-OD2 3.37Å; Y112-D243 PolarHBondContact OH-OD2 3.45Å; Y112-Y306 HydrophobicContact CE1-CE1 4.42Å
113E86.8Confident85.4Confident96 Ų9657.4 Ų57.445%0.44928%0.275SS..Hα-helixtrans-65-28.5179.6-69.9-170.1136.700112.8L109 R302 Y306L109-E113 PolarHBondContact O-N 3.21Å; E113-R302 IonicContact OE1-NH1 2.69Å; E113-R302 PolarHBondContact OE1-NH1 3.37Å; E113-Y306 HydrophobicContact CG-CE2 4.42Å
114R89.7Confident85.7Confident140 Ų14054.7 Ų54.753%0.52827%0.269SS..Hα-helixtrans-70.3-43.7175-172.7-170.5-55.7131.111.4112.9C110 N111 Y112C110-R114 WeakPolarHBondContact O-CB 3.48Å; C110-R114 PolarHBondContact O-N 3.07Å; N111-R114 PolarHBondContact O-N 3.06Å; N111-R114 PolarHBondContact OD1-NH1 3.01Å; N111-R114 PolarHBondContact OD1-NH2 2.93Å; Y112-R114 VanDerWaalsContact C-N 3.27Å; Y112-R114 PolarHBondContact O-N 3.32Å
115Y91.1Very high86.1Confident58 Ų5853.8 Ų53.823%0.22728%0.282CS..Hα-helixtrans-102.9-3.3-170.9-58.4-63.2000114.1N111 Y112 C117 L118 I119 F229 L231N111-Y115 HydrophobicContact CB-CD2 4.34Å; N111-Y115 HydrophobicContact CB-CE2 4.42Å; N111-Y115 WeakPolarHBondContact O-CD2 3.46Å; N111-Y115 PolarHBondContact O-N 3.31Å; Y112-Y115 PolarHBondContact O-N 3.35Å; Y115-C117 PolarHBondContact O-N 2.9Å; Y115-L118 HydrophobicContact CD1-CD1 4.18Å; Y115-L118 PolarHBondContact O-N 3.05Å; Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.12Å; Y115-F229 HydrophobicContact CD1-CB 3.98Å; Y115-F229 AromaticContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CG 4.12Å; Y115-F229 HydrophobicContact CD2-CB 3.95Å; Y115-F229 WeakPolarHBondContact CD2-O 3.29Å; Y115-F229 HydrophobicContact CE1-CB 4.44Å; Y115-F229 HydrophobicContact CE1-CD1 4.13Å; Y115-F229 HydrophobicContact CE2-CB 4.36Å; Y115-F229 WeakPolarHBondContact CE2-O 3.22Å; Y115-F229 HydrophobicContact CG-CB 3.73Å; Y115-F229 HydrophobicContact CG-CD1 4.23Å; Y115-F229 HydrophobicContact CG-CG 4.2Å; Y115-L231 HydrophobicContact CD2-CD1 3.65Å; Y115-L231 HydrophobicContact CG-CD1 4.29Å
116R88.8Confident86.6Confident40 Ų4053.2 Ų53.215%0.15128%0.28CS..Hα-helixtrans-45.7-55.6-175.4-159.8178.88014114.9113.5Y112 H120 E208 F236 D243Y112-R116 HydrophobicContact CE2-CG 4.11Å; Y112-R116 WeakPolarHBondContact O-CB 3.26Å; Y112-R116 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact OH-CD 3.36Å; R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.06Å; R116-H120 VanDerWaalsContact O-N 3.15Å; R116-E208 IonicContact CZ-OE1 2.73Å; R116-E208 VanDerWaalsContact CZ-OE1 3.3Å; R116-E208 IonicContact NH1-OE1 2.76Å; R116-E208 PolarHBondContact NH1-OE1 3.17Å; R116-E208 IonicContact NH2-OE1 2.62Å; R116-E208 PolarHBondContact NH2-OE1 2.65Å; R116-F236 HydrophobicContact CG-CE2 4.42Å; R116-F236 HydrophobicContact CG-CZ 4.38Å; R116-D243 IonicContact CZ-OD2 4Å; R116-D243 IonicContact NH1-OD2 3.27Å; R116-D243 PolarHBondContact NH1-OD2 2.93Å
117C86.7Confident87Confident72 Ų7253.6 Ų53.649%0.48629%0.287SS..Hα-helixtrans-74.1-29.9-176.9-57.20000112.8Y115 H120 N121Y115-C117 PolarHBondContact O-N 2.9Å; C117-H120 PolarHBondContact O-N 2.9Å; C117-N121 WeakPolarHBondContact O-CB 3.3Å; C117-N121 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-OD1 3.49Å
118L88.7Confident87.3Confident85 Ų8559.1 Ų59.145%0.44531%0.305SS..Hα-helixtrans-69.8-39.9176.7-64.4175.4000111.4Y115 N121 E122 F229Y115-L118 HydrophobicContact CD1-CD1 4.18Å; Y115-L118 PolarHBondContact O-N 3.05Å; L118-N121 PolarHBondContact O-N 2.8Å; L118-E122 PolarHBondContact O-N 2.97Å; L118-F229 HydrophobicContact CB-CE1 3.93Å; L118-F229 HydrophobicContact CB-CZ 3.91Å; L118-F229 HydrophobicContact CD1-CE1 4.29Å
119I89.8Confident87.5Confident0 Ų060.9 Ų60.90%033%0.328CS..Hα-helixtrans-66.8-37.3174.6-66.7161.1000111.2Y115 Y123 L222 A226 F229 L231 F236Y115-I119 WeakPolarHBondContact O-CG1 3.14Å; Y115-I119 PolarHBondContact O-N 3.12Å; I119-Y123 VanDerWaalsContact O-CB 3.3Å; I119-Y123 WeakPolarHBondContact O-CB 3.32Å; I119-Y123 PolarHBondContact O-N 3.28Å; I119-Y123 VanDerWaalsContact O-N 3.1Å; I119-L222 HydrophobicContact CG2-CG 4.42Å; I119-A226 HydrophobicContact CD1-CB 4.16Å; I119-A226 HydrophobicContact CG2-CB 4.35Å; I119-F229 HydrophobicContact CD1-CB 4.41Å; I119-F229 HydrophobicContact CD1-CD2 4.04Å; I119-F229 HydrophobicContact CD1-CG 4.49Å; I119-F229 HydrophobicContact CG1-CD2 3.32Å; I119-F229 HydrophobicContact CG1-CE2 3.68Å; I119-F229 HydrophobicContact CG1-CG 4.12Å; I119-L231 HydrophobicContact CD1-CD1 3.97Å; I119-L231 HydrophobicContact CD1-CD2 4Å; I119-F236 HydrophobicContact CB-CD2 4.29Å; I119-F236 HydrophobicContact CB-CE2 3.6Å; I119-F236 HydrophobicContact CB-CZ 3.94Å; I119-F236 HydrophobicContact CD1-CD2 3.48Å; I119-F236 VanDerWaalsContact CD1-CD2 3.48Å; I119-F236 HydrophobicContact CD1-CE2 3.49Å; I119-F236 VanDerWaalsContact CD1-CE2 3.49Å; I119-F236 HydrophobicContact CG1-CD2 4.45Å; I119-F236 HydrophobicContact CG1-CE2 4.12Å; I119-F236 HydrophobicContact CG2-CD1 4.47Å; I119-F236 HydrophobicContact CG2-CD2 3.95Å; I119-F236 HydrophobicContact CG2-CE1 4.08Å; I119-F236 HydrophobicContact CG2-CE2 3.51Å; I119-F236 HydrophobicContact CG2-CG 4.4Å; I119-F236 HydrophobicContact CG2-CZ 3.59Å
120H87.4Confident87.7Confident15 Ų1565.7 Ų65.77%0.06935%0.351CS..Hα-helixtrans-62.9-47.1170.5-76.2-162.7000111.5R116 C117 Y123 A124 L209 F236R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.06Å; R116-H120 VanDerWaalsContact O-N 3.15Å; C117-H120 PolarHBondContact O-N 2.9Å; H120-Y123 PolarHBondContact O-N 2.85Å; H120-A124 VanDerWaalsContact O-CB 3.25Å; H120-A124 WeakPolarHBondContact O-CB 3.24Å; H120-A124 PolarHBondContact O-N 3.45Å; H120-L209 HydrophobicContact CB-CD1 4.31Å; H120-F236 AromaticContact CD2-CZ 3.58Å; H120-F236 AromaticContact NE2-CE1 3.98Å; H120-F236 AromaticContact NE2-CZ 3.67Å
121N87.9Confident87.7Confident26 Ų2663.1 Ų63.114%0.13933%0.334CS..Hα-helixtrans-64.5-43.3-178.4-71.42.7000112.1C117 L118 A124 S125 V126 I205C117-N121 WeakPolarHBondContact O-CB 3.3Å; C117-N121 PolarHBondContact O-N 2.91Å; C117-N121 PolarHBondContact O-OD1 3.49Å; L118-N121 PolarHBondContact O-N 2.8Å; N121-A124 CarbonylContact O-C 3.27Å; N121-A124 PolarHBondContact O-N 2.91Å; N121-S125 PolarHBondContact O-N 2.83Å; N121-V126 HydrophobicContact CB-CB 4.07Å; N121-V126 HydrophobicContact CB-CG1 4.46Å; N121-V126 PolarHBondContact O-N 2.92Å; N121-I205 WeakPolarHBondContact OD1-CG2 3.37Å
122E88.4Confident87.7Confident96 Ų9666.1 Ų66.145%0.44935%0.35SS..Hα-helixtrans-60.9-47174.4-170-171.9137.300111L118 A124 S125 S225 F229L118-E122 PolarHBondContact O-N 2.97Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.96Å; E122-S125 PolarHBondContact O-N 2.91Å; E122-S125 VanDerWaalsContact O-N 3.11Å; E122-S225 WeakPolarHBondContact OE1-CB 3.41Å; E122-F229 WeakPolarHBondContact OE2-CE2 3.28Å
123Y86.2Confident87.5Confident74 Ų7471.2 Ų71.229%0.2937%0.372SS..Hα-helixtrans-64-34.6177.6176.4-97.2000112.9I119 H120 S125 L209 A218 Q221 L222I119-Y123 VanDerWaalsContact O-CB 3.3Å; I119-Y123 WeakPolarHBondContact O-CB 3.32Å; I119-Y123 PolarHBondContact O-N 3.28Å; I119-Y123 VanDerWaalsContact O-N 3.1Å; H120-Y123 PolarHBondContact O-N 2.85Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; Y123-L209 HydrophobicContact CD1-CD1 3.65Å; Y123-L209 HydrophobicContact CD1-CD2 4.37Å; Y123-L209 HydrophobicContact CE1-CD1 4.23Å; Y123-L209 HydrophobicContact CE1-CD2 4.41Å; Y123-L209 HydrophobicContact CG-CD1 4.47Å; Y123-A218 HydrophobicContact CE2-CB 4.23Å; Y123-A218 WeakPolarHBondContact OH-CB 3.23Å; Y123-Q221 HydrophobicContact CD2-CB 4.5Å; Y123-Q221 HydrophobicContact CE2-CB 4.32Å; Y123-L222 HydrophobicContact CD1-CD1 4.43Å; Y123-L222 HydrophobicContact CD2-CB 3.88Å; Y123-L222 HydrophobicContact CE2-CB 4.33Å; Y123-L222 HydrophobicContact CG-CB 4.31Å; Y123-L222 HydrophobicContact CG-CD1 4.28Å
124A85.8Confident87.3Confident41 Ų4169.7 Ų69.734%0.33937%0.365SS..THydrogen-bonded Turntrans-83.82.1175.700000113.7H120 N121 E122 V126H120-A124 VanDerWaalsContact O-CB 3.25Å; H120-A124 WeakPolarHBondContact O-CB 3.24Å; H120-A124 PolarHBondContact O-N 3.45Å; N121-A124 CarbonylContact O-C 3.27Å; N121-A124 PolarHBondContact O-N 2.91Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.96Å; A124-V126 HydrophobicContact CB-CG2 3.91Å; A124-V126 PolarHBondContact O-N 2.74Å
125S85.6Confident86.9Confident103 Ų10367.4 Ų67.472%0.7236%0.362SS*.THydrogen-bonded Turntrans56.321.6-173.6650000115.6N121 E122 Y123 T127N121-S125 PolarHBondContact O-N 2.83Å; E122-S125 PolarHBondContact O-N 2.91Å; E122-S125 VanDerWaalsContact O-N 3.11Å; Y123-S125 VanDerWaalsContact C-N 3.29Å; S125-T127 PolarHBondContact O-N 3.47Å
126V85.8Confident86.5Confident20 Ų2067.9 Ų67.912%0.12137%0.367CS..  trans-73.3111.9177.4174.60000109.2N121 A124 M130 A131 M203 I205N121-V126 HydrophobicContact CB-CB 4.07Å; N121-V126 HydrophobicContact CB-CG1 4.46Å; N121-V126 PolarHBondContact O-N 2.92Å; A124-V126 HydrophobicContact CB-CG2 3.91Å; A124-V126 PolarHBondContact O-N 2.74Å; V126-M130 HydrophobicContact CG1-CB 4.18Å; V126-A131 HydrophobicContact CG1-CB 4.29Å; V126-M203 HydrophobicContact CG2-CE 4.26Å; V126-I205 HydrophobicContact CG1-CD1 3.99Å; V126-I205 HydrophobicContact CG1-CG2 4.33Å
127T88.6Confident86Confident72 Ų7269.2 Ų69.244%0.44238%0.376SS..  trans-67.4152176.867.60000111.7S125 A129 M130 A131S125-T127 PolarHBondContact O-N 3.47Å; T127-A129 PolarHBondContact O-N 3.03Å; T127-M130 HydrophobicContact CG2-SD 4.17Å; T127-M130 WeakPolarHBondContact O-CB 3.4Å; T127-M130 PolarHBondContact O-N 3.05Å; T127-M130 VanDerWaalsContact OG1-CG 3.27Å; T127-M130 WeakPolarHBondContact OG1-CG 3.16Å; T127-M130 PolarHBondContact OG1-N 2.71Å; T127-M130 PolarHBondContact OG1-SD 2.85Å; T127-A131 PolarHBondContact O-N 3.07Å
128E87.4Confident85.6Confident155 Ų15569.3 Ų69.372%0.72437%0.371SS*.Hα-helixtrans-55-38.5174.5-173.9-177.3-168.100111.7M130 A131 L132E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.06Å; E128-A131 PolarHBondContact O-N 3.11Å; E128-L132 HydrophobicContact CG-CD1 3.88Å; E128-L132 HydrophobicContact CG-CG 4.23Å; E128-L132 WeakPolarHBondContact O-CB 3.31Å; E128-L132 VanDerWaalsContact O-CG 3.3Å; E128-L132 WeakPolarHBondContact O-CG 3.35Å; E128-L132 PolarHBondContact O-N 3.3Å
129A88Confident85Confident72 Ų7271 Ų7160%0.59538%0.377SS*.Hα-helixtrans-62.6-36176.300000113.2T127 K133T127-A129 PolarHBondContact O-N 3.03Å; A129-K133 WeakPolarHBondContact O-CB 3.47Å; A129-K133 PolarHBondContact O-N 2.74Å
130M87.6Confident84.2Confident112 Ų11275.8 Ų75.855%0.55240%0.397SS*.Hα-helixtrans-69.5-45.7173.5-73159.2162.500111.3V126 T127 E128 L132 K133 Q134V126-M130 HydrophobicContact CG1-CB 4.18Å; T127-M130 HydrophobicContact CG2-SD 4.17Å; T127-M130 WeakPolarHBondContact O-CB 3.4Å; T127-M130 PolarHBondContact O-N 3.05Å; T127-M130 VanDerWaalsContact OG1-CG 3.27Å; T127-M130 WeakPolarHBondContact OG1-CG 3.16Å; T127-M130 PolarHBondContact OG1-N 2.71Å; T127-M130 PolarHBondContact OG1-SD 2.85Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.06Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.73Å; M130-K133 PolarHBondContact O-N 2.79Å; M130-Q134 PolarHBondContact O-N 2.97Å
131A85.5Confident83.6Confident13 Ų1380.6 Ų80.611%0.10742%0.416CS..Hα-helixtrans-61.1-41.4176.700000112.1V126 T127 E128 Q134 I135V126-A131 HydrophobicContact CG1-CB 4.29Å; T127-A131 PolarHBondContact O-N 3.07Å; E128-A131 PolarHBondContact O-N 3.11Å; A131-Q134 PolarHBondContact O-N 3.32Å; A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.88Å
132L86.2Confident82.6Confident99 Ų9979.5 Ų79.552%0.51841%0.411SS..Hα-helixtrans-69.9-35.9175.4-68.5174.5000112.8E128 M130 Q134 E136E128-L132 HydrophobicContact CG-CD1 3.88Å; E128-L132 HydrophobicContact CG-CG 4.23Å; E128-L132 WeakPolarHBondContact O-CB 3.31Å; E128-L132 VanDerWaalsContact O-CG 3.3Å; E128-L132 WeakPolarHBondContact O-CG 3.35Å; E128-L132 PolarHBondContact O-N 3.3Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.73Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 3.43Å
133K85.8Confident81.5Confident106 Ų10677.4 Ų77.446%0.46140%0.403SS..Hα-helixtrans-59.7-47169.9-174.8-161.9171.9-161.20109.9A129 M130 E136 M137 D200A129-K133 WeakPolarHBondContact O-CB 3.47Å; A129-K133 PolarHBondContact O-N 2.74Å; M130-K133 PolarHBondContact O-N 2.79Å; K133-E136 PolarHBondContact O-N 2.88Å; K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 2.81Å; K133-D200 IonicContact NZ-OD1 3.92Å; K133-D200 PolarHBondContact NZ-OD1 3.2Å; K133-D200 IonicContact NZ-OD2 3.44Å
134Q82.3Confident80.1Confident64 Ų6479.5 Ų79.530%0.29942%0.417SS..Hα-helixtrans-63.6-48.6-179.1-175.356.136.200111.8M130 A131 L132 E136 M137 D138 I205M130-Q134 PolarHBondContact O-N 2.97Å; A131-Q134 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-E136 VanDerWaalsContact C-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.29Å; Q134-M137 CarbonylContact O-C 3.54Å; Q134-M137 WeakPolarHBondContact O-CA 3.29Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.39Å; Q134-D138 PolarHBondContact NE2-OD2 3.43Å; Q134-D138 PolarHBondContact O-N 3.39Å; Q134-I205 HydrophobicContact CB-CD1 3.56Å; Q134-I205 HydrophobicContact CB-CG1 4.48Å; Q134-I205 HydrophobicContact CG-CD1 3.84Å; Q134-I205 HydrophobicContact CG-CG1 4.24Å
135I82Confident78.9Confident92 Ų9281.7 Ų81.747%0.47242%0.42SS..Hα-helixtrans-56.7-42.1175.1-68.5163.1000110.9A131 M137 D138 E139A131-I135 VanDerWaalsContact O-CG1 3.29Å; A131-I135 WeakPolarHBondContact O-CG1 3.3Å; A131-I135 PolarHBondContact O-N 2.88Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.41Å; I135-D138 PolarHBondContact O-N 2.92Å; I135-E139 HydrophobicContact CG2-CG 4.5Å; I135-E139 WeakPolarHBondContact O-CB 3.3Å; I135-E139 WeakPolarHBondContact O-CG 3.3Å; I135-E139 PolarHBondContact O-N 3.3Å
136E82.2Confident77.9Confident68 Ų6882.6 Ų82.632%0.31841%0.411SS..Hα-helixtrans-65.8-34.6175.5175.9166.9-108.100112.9R42 L132 K133 Q134 K140R42-E136 IonicContact CZ-OE1 2.89Å; R42-E136 IonicContact NH1-OE1 2.77Å; R42-E136 PolarHBondContact NH1-OE1 3.1Å; R42-E136 IonicContact NH2-OE1 3.57Å; R42-E136 PolarHBondContact NH2-OE1 2.77Å; L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 3.43Å; K133-E136 PolarHBondContact O-N 2.88Å; Q134-E136 VanDerWaalsContact C-N 3.27Å; Q134-E136 PolarHBondContact O-N 3.29Å; E136-K140 HydrophobicContact CG-CD 3.89Å; E136-K140 HydrophobicContact CG-CG 4.44Å; E136-K140 VanDerWaalsContact CG-NZ 3.27Å; E136-K140 WeakPolarHBondContact O-CB 3.41Å; E136-K140 WeakPolarHBondContact O-CD 3.45Å; E136-K140 WeakPolarHBondContact O-CG 3.38Å; E136-K140 PolarHBondContact O-N 3.39Å; E136-K140 VanDerWaalsContact O-N 3.09Å; E136-K140 IonicContact OE1-NZ 3.74Å; E136-K140 PolarHBondContact OE1-NZ 3.13Å; E136-K140 IonicContact OE2-NZ 3.61Å; E136-K140 PolarHBondContact OE2-NZ 3.46Å
137M78.7Confident76.7Confident69 Ų6985.1 Ų85.134%0.3442%0.418SS..Hα-helixtrans-69.4-41.4173.5-69.8-62.1-73.100111.6K133 Q134 I135 K140 Y141 G142K133-M137 WeakPolarHBondContact O-CG 3.38Å; K133-M137 PolarHBondContact O-N 2.81Å; Q134-M137 CarbonylContact O-C 3.54Å; Q134-M137 WeakPolarHBondContact O-CA 3.29Å; Q134-M137 WeakPolarHBondContact O-CB 3.5Å; Q134-M137 PolarHBondContact O-N 3.39Å; I135-M137 VanDerWaalsContact C-N 3.34Å; I135-M137 PolarHBondContact O-N 3.41Å; M137-K140 PolarHBondContact O-N 3.33Å; M137-Y141 HydrophobicContact CE-CD2 3.58Å; M137-Y141 HydrophobicContact CE-CE2 3.78Å; M137-Y141 WeakPolarHBondContact O-CA 3.23Å; M137-Y141 WeakPolarHBondContact O-CB 3.49Å; M137-Y141 PolarHBondContact O-N 2.82Å; M137-Y141 HydrophobicContact SD-CD2 3.78Å; M137-Y141 HydrophobicContact SD-CE2 3.72Å; M137-G142 PolarHBondContact O-N 3.35Å
138D78.3Confident75.5Confident73 Ų7388 Ų8839%0.3942%0.421SS..Hα-helixtrans-66.6-36.7176-78.5-52.4000112.8Q134 I135 G142Q134-D138 PolarHBondContact NE2-OD2 3.43Å; Q134-D138 PolarHBondContact O-N 3.39Å; I135-D138 PolarHBondContact O-N 2.92Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 3.26Å
139E75.3Confident74.5Confident121 Ų12187 Ų8757%0.56541%0.414SS*.Hα-helixtrans-63.2-44.7171.2-78.8-174.3166.900112.2R42 I135R42-E139 IonicContact CZ-OE2 3.85Å; R42-E139 IonicContact NE-OE2 2.94Å; R42-E139 PolarHBondContact NE-OE2 2.97Å; R42-E139 IonicContact NH2-OE2 3.9Å; R42-E139 PolarHBondContact NH2-OE2 2.74Å; I135-E139 HydrophobicContact CG2-CG 4.5Å; I135-E139 WeakPolarHBondContact O-CB 3.3Å; I135-E139 WeakPolarHBondContact O-CG 3.3Å; I135-E139 PolarHBondContact O-N 3.3Å
140K72.5Confident73.4Confident100 Ų10089.7 Ų89.744%0.43541%0.414SS..Hα-helixtrans-77.5-39-177.3-72.2169.3-176.4166.80113.3E136 M137E136-K140 HydrophobicContact CG-CD 3.89Å; E136-K140 HydrophobicContact CG-CG 4.44Å; E136-K140 VanDerWaalsContact CG-NZ 3.27Å; E136-K140 WeakPolarHBondContact O-CB 3.41Å; E136-K140 WeakPolarHBondContact O-CD 3.45Å; E136-K140 WeakPolarHBondContact O-CG 3.38Å; E136-K140 PolarHBondContact O-N 3.39Å; E136-K140 VanDerWaalsContact O-N 3.09Å; E136-K140 IonicContact OE1-NZ 3.74Å; E136-K140 PolarHBondContact OE1-NZ 3.13Å; E136-K140 IonicContact OE2-NZ 3.61Å; E136-K140 PolarHBondContact OE2-NZ 3.46Å; M137-K140 PolarHBondContact O-N 3.33Å
141Y74.6Confident72.4Confident117 Ų11790.6 Ų90.646%0.45942%0.417SS..Hα-helixtrans-134.2-8.8-162.9-52.9-68000114.2M137 D143 M144 E145M137-Y141 HydrophobicContact CE-CD2 3.58Å; M137-Y141 HydrophobicContact CE-CE2 3.78Å; M137-Y141 WeakPolarHBondContact O-CA 3.23Å; M137-Y141 WeakPolarHBondContact O-CB 3.49Å; M137-Y141 PolarHBondContact O-N 2.82Å; M137-Y141 HydrophobicContact SD-CD2 3.78Å; M137-Y141 HydrophobicContact SD-CE2 3.72Å; Y141-D143 PolarHBondContact O-N 3.21Å; Y141-M144 VanDerWaalsContact O-CA 3.3Å; Y141-M144 WeakPolarHBondContact O-CA 3.45Å; Y141-M144 VanDerWaalsContact O-CB 3.24Å; Y141-M144 WeakPolarHBondContact O-CB 3.46Å; Y141-M144 PolarHBondContact O-N 3.28Å; Y141-E145 PolarHBondContact O-N 2.84Å
142G67.9Low71.6Confident3 Ų394.3 Ų94.33%0.03143%0.432CS..Hα-helixtrans-64.2-17.2-175.200000115.8M137 D138 K146M137-G142 PolarHBondContact O-N 3.35Å; D138-G142 VanDerWaalsContact O-CA 3.26Å; D138-G142 WeakPolarHBondContact O-CA 3.27Å; D138-G142 PolarHBondContact O-N 3.26Å; G142-K146 WeakPolarHBondContact O-CD 3.29Å; G142-K146 VanDerWaalsContact O-CG 3.23Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-NZ 3.45Å
143D64.2Low70.9Confident52 Ų5294.8 Ų94.828%0.27843%0.432SS..Hα-helixtrans-83.9-17.4168.1-94.924.2000112.6Q35 K39 Y141 R147Q35-D143 PolarHBondContact NE2-OD2 2.86Å; K39-D143 IonicContact NZ-OD1 3.64Å; K39-D143 PolarHBondContact NZ-OD1 3.31Å; K39-D143 IonicContact NZ-OD2 3.23Å; K39-D143 PolarHBondContact NZ-OD2 3.42Å; Y141-D143 PolarHBondContact O-N 3.21Å; D143-R147 WeakPolarHBondContact O-CG 3.22Å; D143-R147 PolarHBondContact O-N 3.35Å
144M57.9Low70.2Confident118 Ų11891.8 Ų91.858%0.58143%0.427SS*.Hα-helixtrans-82.2-44.3171-65.6-64-64.500111.2Y141 K146 R147 R148Y141-M144 VanDerWaalsContact O-CA 3.3Å; Y141-M144 WeakPolarHBondContact O-CA 3.45Å; Y141-M144 VanDerWaalsContact O-CB 3.24Å; Y141-M144 WeakPolarHBondContact O-CB 3.46Å; Y141-M144 PolarHBondContact O-N 3.28Å; M144-K146 VanDerWaalsContact C-N 3.27Å; M144-K146 PolarHBondContact O-N 3.09Å; M144-R147 CarbonylContact O-C 3.49Å; M144-R147 WeakPolarHBondContact O-CA 3.4Å; M144-R147 WeakPolarHBondContact O-CB 3.41Å; M144-R147 PolarHBondContact O-N 3.42Å; M144-R148 PolarHBondContact O-N 2.87Å
145E60.8Low69.8Low86 Ų8692.5 Ų92.540%0.40244%0.436SS..Hα-helixtrans-57.1-41.3173.9-114.847.9-114.100111.9Y141 R147 R148 K149Y141-E145 PolarHBondContact O-N 2.84Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.49Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R148 IonicContact OE1-CZ 2.83Å; E145-R148 IonicContact OE1-NE 3.76Å; E145-R148 IonicContact OE1-NH1 3.34Å; E145-R148 PolarHBondContact OE1-NH1 3.15Å; E145-K149 WeakPolarHBondContact O-CB 3.28Å; E145-K149 PolarHBondContact O-N 3.47Å
146K63.9Low69.2Low122 Ų12290.5 Ų90.553%0.5343%0.433SS..Hα-helixtrans-62.8-37.7173.9-68.9172.7-172.485.70112.2G142 M144 E150G142-K146 WeakPolarHBondContact O-CD 3.29Å; G142-K146 VanDerWaalsContact O-CG 3.23Å; G142-K146 WeakPolarHBondContact O-CG 3.48Å; G142-K146 PolarHBondContact O-NZ 3.45Å; M144-K146 VanDerWaalsContact C-N 3.27Å; M144-K146 PolarHBondContact O-N 3.09Å; K146-E150 WeakPolarHBondContact O-CB 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.38Å
147R60.3Low68.3Low73 Ų7392.6 Ų92.628%0.27544%0.441SS..Hα-helixtrans-67.3-42.2171.7-76.3175.5175.2-83.5-10.3112E31 D143 M144 E145 E150 E151E31-R147 IonicContact OE2-CZ 3.37Å; E31-R147 IonicContact OE2-NH1 3.51Å; E31-R147 PolarHBondContact OE2-NH1 2.67Å; E31-R147 IonicContact OE2-NH2 2.68Å; E31-R147 PolarHBondContact OE2-NH2 3.2Å; D143-R147 WeakPolarHBondContact O-CG 3.22Å; D143-R147 PolarHBondContact O-N 3.35Å; M144-R147 CarbonylContact O-C 3.49Å; M144-R147 WeakPolarHBondContact O-CA 3.4Å; M144-R147 WeakPolarHBondContact O-CB 3.41Å; M144-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact C-N 3.33Å; E145-R147 PolarHBondContact O-N 3.49Å; R147-E150 PolarHBondContact O-N 3.06Å; R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.25Å
148R63.7Low67.4Low132 Ų13295.5 Ų95.550%0.49845%0.452SS..Hα-helixtrans-59.2-51.8178-148.5-171.392.1-162.615.1110.4M144 E145 E150 E151 E152M144-R148 PolarHBondContact O-N 2.87Å; E145-R148 WeakPolarHBondContact O-CB 3.37Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R148 IonicContact OE1-CZ 2.83Å; E145-R148 IonicContact OE1-NE 3.76Å; E145-R148 IonicContact OE1-NH1 3.34Å; E145-R148 PolarHBondContact OE1-NH1 3.15Å; R148-E150 PolarHBondContact O-N 2.72Å; R148-E151 CarbonylContact O-C 3.58Å; R148-E151 PolarHBondContact O-N 2.98Å; R148-E151 VanDerWaalsContact O-N 3.1Å; R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 2.71Å; R148-E152 IonicContact NE-OE1 3.49Å; R148-E152 PolarHBondContact NE-OE1 3.39Å; R148-E152 IonicContact NH2-OE1 3.06Å; R148-E152 WeakPolarHBondContact O-CB 3.4Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.49Å; R148-E152 PolarHBondContact O-N 3.18Å
149K66.7Low66.4Low134 Ų13494.4 Ų94.458%0.58345%0.453SS*.Hα-helixtrans-63-39177.7-144.5158.2-171.4161.60112.1E145 E153E145-K149 WeakPolarHBondContact O-CB 3.28Å; E145-K149 PolarHBondContact O-N 3.47Å; K149-E153 WeakPolarHBondContact O-CB 3.24Å; K149-E153 WeakPolarHBondContact O-CG 3.39Å; K149-E153 PolarHBondContact O-N 2.91Å
150E65.2Low65.5Low130 Ų13095.9 Ų95.961%0.60746%0.46SS*.Hα-helixtrans-65.6-37.9171.1-84.1-168.3-15900113.1K146 R147 R148 A154K146-E150 WeakPolarHBondContact O-CB 3.27Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.38Å; R147-E150 PolarHBondContact O-N 3.06Å; R148-E150 PolarHBondContact O-N 2.72Å; E150-A154 WeakPolarHBondContact O-CB 3.3Å; E150-A154 PolarHBondContact O-N 3.49Å
151E65.7Low64.7Low131 Ų13198.2 Ų98.261%0.61247%0.472SS*.Hα-helixtrans-76.3-37179.3-74.6-173.7-165.500112.5R147 R148 A154 T155R147-E151 WeakPolarHBondContact O-CB 3.38Å; R147-E151 WeakPolarHBondContact O-CG 3.45Å; R147-E151 PolarHBondContact O-N 3.25Å; R148-E151 CarbonylContact O-C 3.58Å; R148-E151 PolarHBondContact O-N 2.98Å; R148-E151 VanDerWaalsContact O-N 3.1Å; E151-A154 CarbonylContact O-C 3.52Å; E151-A154 PolarHBondContact O-N 3.13Å; E151-T155 WeakPolarHBondContact O-CB 3.18Å; E151-T155 WeakPolarHBondContact O-CG2 3.35Å; E151-T155 PolarHBondContact O-N 2.82Å; E151-T155 PolarHBondContact O-OG1 3.34Å
152E69.6Low63.7Low91 Ų9196.8 Ų96.843%0.42548%0.479SS..Hα-helixtrans-59.9-50.1168.2-73.6167.9-163.800110.6R148 A154 T155 A156R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 2.71Å; R148-E152 IonicContact NE-OE1 3.49Å; R148-E152 PolarHBondContact NE-OE1 3.39Å; R148-E152 IonicContact NH2-OE1 3.06Å; R148-E152 WeakPolarHBondContact O-CB 3.4Å; R148-E152 VanDerWaalsContact O-CG 3.3Å; R148-E152 WeakPolarHBondContact O-CG 3.49Å; R148-E152 PolarHBondContact O-N 3.18Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.29Å; E152-T155 WeakPolarHBondContact CA-OG1 3.36Å; E152-T155 PolarHBondContact O-N 3.09Å; E152-T155 PolarHBondContact O-OG1 3.47Å; E152-A156 VanDerWaalsContact O-CB 3.3Å; E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.29Å
153E71.4Confident62.8Low109 Ų109105.2 Ų105.251%0.50952%0.515SS..Hα-helixtrans-59.7-42.7172.5-82-158.8169.200112.3K149 T155 K157K149-E153 WeakPolarHBondContact O-CB 3.24Å; K149-E153 WeakPolarHBondContact O-CG 3.39Å; K149-E153 PolarHBondContact O-N 2.91Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 2.98Å; E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 VanDerWaalsContact O-CB 3.27Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 VanDerWaalsContact O-CD 3.28Å; E153-K157 WeakPolarHBondContact O-CD 3.37Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 IonicContact OE1-NZ 3.79Å; E153-K157 IonicContact OE2-NZ 3.61Å; E153-K157 PolarHBondContact OE2-NZ 2.97Å
154A71.7Confident62Low43 Ų43107.2 Ų107.236%0.35554%0.538SS..Hα-helixtrans-74.9-17-178.300000113.7E150 E151 E152 K158E150-A154 WeakPolarHBondContact O-CB 3.3Å; E150-A154 PolarHBondContact O-N 3.49Å; E151-A154 CarbonylContact O-C 3.52Å; E151-A154 PolarHBondContact O-N 3.13Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.29Å; A154-K158 VanDerWaalsContact O-CD 3.29Å; A154-K158 WeakPolarHBondContact O-CD 3.42Å; A154-K158 WeakPolarHBondContact O-CE 3.41Å; A154-K158 VanDerWaalsContact O-CG 3.22Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-NZ 3.49Å
155T72.2Confident61.6Low78 Ų78105.7 Ų105.748%0.47955%0.545SS..Hα-helixtrans-88.7-43.9171.346.20000110.6E151 E152 E153 K157 K158 A159E151-T155 WeakPolarHBondContact O-CB 3.18Å; E151-T155 WeakPolarHBondContact O-CG2 3.35Å; E151-T155 PolarHBondContact O-N 2.82Å; E151-T155 PolarHBondContact O-OG1 3.34Å; E152-T155 WeakPolarHBondContact CA-OG1 3.36Å; E152-T155 PolarHBondContact O-N 3.09Å; E152-T155 PolarHBondContact O-OG1 3.47Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 2.98Å; T155-K157 PolarHBondContact O-N 3.39Å; T155-K158 WeakPolarHBondContact O-CB 3.42Å; T155-K158 PolarHBondContact O-N 2.99Å; T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.47Å
156A70.7Confident61.1Low51 Ų51108.7 Ų108.742%0.42156%0.562SS.*Hα-helixtrans-56.2-46.6172.100000112.1E152 K158 A159 Q160E152-A156 VanDerWaalsContact O-CB 3.3Å; E152-A156 WeakPolarHBondContact O-CB 3.43Å; E152-A156 PolarHBondContact O-N 3.29Å; A156-K158 PolarHBondContact O-N 2.97Å; A156-A159 PolarHBondContact O-N 3.13Å; A156-Q160 PolarHBondContact O-N 2.76Å
157K63.8Low60.8Low112 Ų112106.1 Ų106.149%0.48757%0.57SS.*Hα-helixtrans-64-37.2177.7-69.9163.2-168.2174.40112.4E153 T155 E161E153-K157 VanDerWaalsContact CD-NZ 3.34Å; E153-K157 VanDerWaalsContact O-CB 3.27Å; E153-K157 WeakPolarHBondContact O-CB 3.33Å; E153-K157 VanDerWaalsContact O-CD 3.28Å; E153-K157 WeakPolarHBondContact O-CD 3.37Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 2.85Å; E153-K157 IonicContact OE1-NZ 3.79Å; E153-K157 IonicContact OE2-NZ 3.61Å; E153-K157 PolarHBondContact OE2-NZ 2.97Å; T155-K157 PolarHBondContact O-N 3.39Å; K157-E161 PolarHBondContact O-N 2.74Å; K157-E161 VanDerWaalsContact O-N 3.17Å
158K58.8Low60.5Low130 Ų130110.9 Ų110.957%0.56559%0.593SS**Hα-helixtrans-66.9-42.3171.3-75.5169.8-162.4141.30112.3A154 T155 A156 Q160 E161 S162A154-K158 VanDerWaalsContact O-CD 3.29Å; A154-K158 WeakPolarHBondContact O-CD 3.42Å; A154-K158 WeakPolarHBondContact O-CE 3.41Å; A154-K158 VanDerWaalsContact O-CG 3.22Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-NZ 3.49Å; T155-K158 WeakPolarHBondContact O-CB 3.42Å; T155-K158 PolarHBondContact O-N 2.99Å; A156-K158 PolarHBondContact O-N 2.97Å; K158-Q160 PolarHBondContact O-N 2.7Å; K158-E161 PolarHBondContact O-N 2.88Å; K158-E161 VanDerWaalsContact O-N 3.16Å; K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.2Å; K158-S162 PolarHBondContact O-OG 3.4Å
159A57.1Low60Low49 Ų49110.9 Ų110.941%0.40561%0.608SS.*Hα-helixtrans-66.7-24.3-17900000112.5T155 A156 S162T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.47Å; A156-A159 PolarHBondContact O-N 3.13Å; A159-S162 WeakPolarHBondContact CA-OG 3.27Å; A159-S162 PolarHBondContact O-OG 2.73Å
160Q55.7Low59.8Low153 Ų153113.8 Ų113.872%0.71562%0.616SS**Hα-helixtrans-75.8-47167.4-70.9-178.7-11.200112A156 K158 S162A156-Q160 PolarHBondContact O-N 2.76Å; K158-Q160 PolarHBondContact O-N 2.7Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.74Å
161E56.2Low59.2Low149 Ų149116.9 Ų116.970%0.69663%0.631SS**Hα-helixtrans-64.3-30.3176.4-74.3-168.9134.900113.3K157 K158 K163K157-E161 PolarHBondContact O-N 2.74Å; K157-E161 VanDerWaalsContact O-N 3.17Å; K158-E161 PolarHBondContact O-N 2.88Å; K158-E161 VanDerWaalsContact O-N 3.16Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.96Å
162S54.3Low58.4Low86 Ų86118.3 Ų118.360%0.60164%0.643SS**THydrogen-bonded Turntrans-81.1-0.1-174.767.30000115.5K158 A159 Q160 A164K158-S162 WeakPolarHBondContact O-CB 3.34Å; K158-S162 PolarHBondContact O-N 3.2Å; K158-S162 PolarHBondContact O-OG 3.4Å; A159-S162 WeakPolarHBondContact CA-OG 3.27Å; A159-S162 PolarHBondContact O-OG 2.73Å; Q160-S162 VanDerWaalsContact C-N 3.3Å; Q160-S162 PolarHBondContact O-N 2.74Å; S162-A164 VanDerWaalsContact C-N 3.31Å
163K49.3Very low57.3Low181 Ų181119.3 Ų119.379%0.78766%0.659SS**THydrogen-bonded Turntrans-81.1-5178.1-73.6-178.6179.6-172.10114.2E161 A165E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 2.96Å; K163-A165 PolarHBondContact O-N 2.89Å; K163-A165 VanDerWaalsContact O-N 3.09Å
164A46.4Very low55.6Low93 Ų93120.5 Ų120.577%0.76967%0.674SS**  trans-84.148.2175.900000113.4S162S162-A164 VanDerWaalsContact C-N 3.31Å
165A49.6Very low54Low87 Ų87124.7 Ų124.772%0.71970%0.7SS**  trans-89.3114.9174.600000110.3K163 G167K163-A165 PolarHBondContact O-N 2.89Å; K163-A165 VanDerWaalsContact O-N 3.09Å; A165-G167 PolarHBondContact O-N 2.89Å
166I51.7Low52.4Low148 Ų148130.4 Ų130.476%0.75972%0.718SS**  trans-77.393.2177.9-56.8175000108.8F168I166-F168 HydrophobicContact CG2-CD2 3.96Å; I166-F168 HydrophobicContact CG2-CE2 3.76Å; I166-F168 PolarHBondContact O-N 2.67Å
167G57.5Low51.1Low68 Ų68133.9 Ų133.970%0.70174%0.739SS**  trans-75.2104.717100000110.9A165A165-G167 PolarHBondContact O-N 2.89Å
168F52.9Low50Low174 Ų174137.2 Ų137.276%0.76376%0.757SS**PPolyproline II helixtrans-78120.2161.1-81.9-93.2000108.6I166I166-F168 HydrophobicContact CG2-CD2 3.96Å; I166-F168 HydrophobicContact CG2-CE2 3.76Å; I166-F168 PolarHBondContact O-N 2.67Å
169V53.1Low49Very low132 Ų132136.7 Ų136.780%0.877%0.767SS**PPolyproline II helixtrans-98.8137.5164.6-178.50000107.1
170Y63.7Low48.3Very low194 Ų194140.5 Ų140.576%0.76179%0.785SS**PPolyproline II helixtrans-97.5132.1171.4-71.8-97.2000107.9D172Y170-D172 VanDerWaalsContact C-N 3.29Å; Y170-D172 PolarHBondContact O-N 3.03Å
171E50.9Low47.3Very low196 Ų196139.7 Ų139.792%0.91679%0.79SS**SBendtrans-79.3-6.4-172.2-62-168.6144.600114.2S173E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 3.23Å; E171-S173 VanDerWaalsContact O-N 3.1Å
172D48.8Very low46.7Very low161 Ų161140.8 Ų140.886%0.86180%0.797SS**  trans-85.155.6-179.6-72.2-48.9000113.6Y170Y170-D172 VanDerWaalsContact C-N 3.29Å; Y170-D172 PolarHBondContact O-N 3.03Å
173S48.3Very low45.7Very low111 Ų111143.7 Ų143.778%0.77681%0.806SS**  trans-149.992.2173.1-74.50000112.6E171E171-S173 VanDerWaalsContact C-N 3.34Å; E171-S173 PolarHBondContact O-N 3.23Å; E171-S173 VanDerWaalsContact O-N 3.1Å
174T34.8Very low45.2Very low134 Ų134143 Ų14382%0.82281%0.811SS**  trans-76.5129.1-179.542.10000113.2
175C37.4Very low44.7Very low132 Ų132147 Ų14789%0.89281%0.813SS**  trans-157.3150.3147.8-102.90000111.1
176F39.2Very low44Very low198 Ų198148.3 Ų148.387%0.86882%0.815SS**  trans-99.7141-169.7-71.2-111.6000112.4
177S42.8Very low43.4Very low123 Ų123146.7 Ų146.786%0.8682%0.817SS**  174.4166.9125.938.30000110.9
178E41.8Very low42.2Very low182 Ų182150.4 Ų150.485%0.8583%0.826SS**  trans-92.9155.7-152.1-63-179.9117.100116.2
179P37.2Very low41.6Very low120 Ų120147.5 Ų147.578%0.77983%0.827SS**  trans-88.8115.2174.834-31.6000112.5
180V42Very low40.8Very low129 Ų129149.7 Ų149.778%0.78283%0.828SS**  trans-92.5118.5168.4179.50000110.2
181V36.5Very low39.8Very low135 Ų135147.9 Ų147.982%0.81883%0.832SS**  trans-90.9119.1175.41770000109.8
182M43.1Very low39.1Very low172 Ų172145.1 Ų145.185%0.84782%0.823SS**  trans-139.8126.1162.4-74.9-162.5169.300112.2
183N33.5Very low38.7Very low148 Ų148142.3 Ų142.379%0.79182%0.817SS**  trans-66.8149.6155.3-78.5-37.1000109.3
184N38.3Very low38.3Very low167 Ų167144.4 Ų144.489%0.89382%0.819SS**  -168.8168.3120.4-99.3-28.2000114.4
185Q36.8Very low38.5Very low175 Ų175144.6 Ų144.682%0.81882%0.82SS**  trans-67.4163.1179.7-84.3-89.7-39.200113.1
186P34.3Very low38.9Very low115 Ų115145.6 Ų145.675%0.74782%0.817SS**  trans-76.9152.6-165.632-35.7000113.6
187S39.4Very low39.2Very low115 Ų115143.8 Ų143.880%0.80482%0.816SS**  trans-137.8158.8169.655.10000110.7
188T31.1Very low39.5Very low146 Ų146147.2 Ų147.290%0.89682%0.819SS**  trans-96.4124.1-162.749.30000113.9
189S40.8Very low39.8Very low112 Ų112142.5 Ų142.578%0.78381%0.811SS**  trans-153.1111.8155.244.10000105.4
190Q37.2Very low40.1Very low178 Ų178142.4 Ų142.483%0.83280%0.804SS**  62.87756.2-159.7-179.120.400111.9
191D41.4Very low40.3Very low157 Ų157140.4 Ų140.484%0.8480%0.796SS**  trans-131.3148156.4-157.1-7.2000107.4
192N35.7Very low40.9Very low137 Ų137141 Ų14173%0.73379%0.794SS**  trans-118.2117.7-167.5-57.8-91.7000111.2
193S40.7Very low41.1Very low103 Ų103138.4 Ų138.472%0.7278%0.781SS**  trans-150133.4168.2-158.40000110.3
194D39.5Very low42.2Very low154 Ų154136.3 Ų136.382%0.82477%0.77SS**  trans44.876166-55.2-40.2000117.9
195T39.6Very low43.2Very low138 Ų138130.6 Ų130.685%0.84774%0.739SS**  trans-95.999158.9-59.70000109.3
196D46.6Very low44.2Very low154 Ų154129.4 Ų129.482%0.82474%0.738SS**SBendtrans-164.1-14.9160.6-111.9-15.2000115.1
197D45.5Very low45.6Very low159 Ų159128.3 Ų128.385%0.8573%0.729SS**SBendtrans-85.8-13-176.2-81.7-42.4000115.7A199D197-A199 PolarHBondContact O-N 3.25Å
198E48.8Very low46.9Very low196 Ų196126.7 Ų126.792%0.91671%0.709SS**THydrogen-bonded Turntrans-77.930.8-174.7-68.2-74.1150.800114.2
199A47.5Very low48.9Very low83 Ų83121.2 Ų121.269%0.68667%0.674SS**THydrogen-bonded Turntrans-115.1-18.6-169.800000115.9D197 S201D197-A199 PolarHBondContact O-N 3.25Å; A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.43Å
200D44.4Very low50.5Low117 Ų117119.5 Ų119.563%0.62666%0.656SS**SBendtrans-88.872.3166-108.8-21.4000108.1K133 D202K133-D200 IonicContact NZ-OD1 3.92Å; K133-D200 PolarHBondContact NZ-OD1 3.2Å; K133-D200 IonicContact NZ-OD2 3.44Å; D200-D202 PolarHBondContact O-N 3.45Å
201S44.9Very low52.2Low88 Ų88111 Ų11162%0.61562%0.616SS**  trans-67.2120.1-178.862.20000111.3A199 M203A199-S201 VanDerWaalsContact C-N 3.3Å; A199-S201 PolarHBondContact O-N 3.43Å; S201-M203 PolarHBondContact O-N 2.83Å
202D49.4Very low53.8Low147 Ų147107.8 Ų107.879%0.78661%0.606SS**  trans-63.166.3176.3-76.4-29.5000112.9D200 D204D200-D202 PolarHBondContact O-N 3.45Å; D202-D204 VanDerWaalsContact C-N 3.34Å; D202-D204 PolarHBondContact O-N 3.27Å
203M47.1Very low56Low117 Ų117104.8 Ų104.858%0.57660%0.6SS**  trans-74.488.3165-76.4-173.662.600108.9V126 S201 I205V126-M203 HydrophobicContact CG2-CE 4.26Å; S201-M203 PolarHBondContact O-N 2.83Å; M203-I205 VanDerWaalsContact C-N 3.33Å; M203-I205 WeakPolarHBondContact O-CG1 3.48Å; M203-I205 PolarHBondContact O-N 2.85Å
204D57.8Low57.9Low105 Ų105100.9 Ų100.956%0.56157%0.572SS**  trans-53.193.5167-86.8-27.6000109.2D202 D206 V207D202-D204 VanDerWaalsContact C-N 3.34Å; D202-D204 PolarHBondContact O-N 3.27Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.16Å; D204-V207 HydrophobicContact CB-CG2 3.78Å; D204-V207 WeakPolarHBondContact O-CB 3.4Å; D204-V207 WeakPolarHBondContact O-CG2 3.1Å; D204-V207 PolarHBondContact O-N 2.77Å
205I58Low60.2Low47 Ų4798 Ų9824%0.24156%0.559CS.*THydrogen-bonded Turntrans-63.1-24.3-177-54.3-177.6000111.2N121 V126 Q134 M203 V207N121-I205 WeakPolarHBondContact OD1-CG2 3.37Å; V126-I205 HydrophobicContact CG1-CD1 3.99Å; V126-I205 HydrophobicContact CG1-CG2 4.33Å; Q134-I205 HydrophobicContact CB-CD1 3.56Å; Q134-I205 HydrophobicContact CB-CG1 4.48Å; Q134-I205 HydrophobicContact CG-CD1 3.84Å; Q134-I205 HydrophobicContact CG-CG1 4.24Å; M203-I205 VanDerWaalsContact C-N 3.33Å; M203-I205 WeakPolarHBondContact O-CG1 3.48Å; M203-I205 PolarHBondContact O-N 2.85Å; I205-V207 PolarHBondContact O-N 3.36Å
206D58.6Low62.4Low149 Ų14994.9 Ų94.980%0.79755%0.548SS*.THydrogen-bonded Turntrans-73.74.5174.5-84.6-10.6000114.6D204 E208D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.16Å; D206-E208 PolarHBondContact O-N 3Å; D206-E208 VanDerWaalsContact O-N 3.11Å
207V63.6Low64.4Low92 Ų9292.8 Ų92.856%0.55853%0.533SS*.  trans-61.4114175166.30000111D204 I205 L209D204-V207 HydrophobicContact CB-CG2 3.78Å; D204-V207 WeakPolarHBondContact O-CB 3.4Å; D204-V207 WeakPolarHBondContact O-CG2 3.1Å; D204-V207 PolarHBondContact O-N 2.77Å; I205-V207 PolarHBondContact O-N 3.36Å; V207-L209 PolarHBondContact O-N 2.77Å
208E66.7Low66.4Low82 Ų8285.4 Ų85.438%0.38350%0.495SS..  trans-69.7119.3174.2-61.3-156.7129.800110.6R116 D206 D210R116-E208 IonicContact CZ-OE1 2.73Å; R116-E208 VanDerWaalsContact CZ-OE1 3.3Å; R116-E208 IonicContact NH1-OE1 2.76Å; R116-E208 PolarHBondContact NH1-OE1 3.17Å; R116-E208 IonicContact NH2-OE1 2.62Å; R116-E208 PolarHBondContact NH2-OE1 2.65Å; D206-E208 PolarHBondContact O-N 3Å; D206-E208 VanDerWaalsContact O-N 3.11Å; E208-D210 PolarHBondContact O-N 3.45Å
209L73Confident68.3Low31 Ų3179.7 Ų79.716%0.16246%0.464CS..  trans-63.1103.5178.5-66.2180000111.5H120 Y123 V207 A211 L214 L222 Q244H120-L209 HydrophobicContact CB-CD1 4.31Å; Y123-L209 HydrophobicContact CD1-CD1 3.65Å; Y123-L209 HydrophobicContact CD1-CD2 4.37Å; Y123-L209 HydrophobicContact CE1-CD1 4.23Å; Y123-L209 HydrophobicContact CE1-CD2 4.41Å; Y123-L209 HydrophobicContact CG-CD1 4.47Å; V207-L209 PolarHBondContact O-N 2.77Å; L209-A211 PolarHBondContact O-N 3.1Å; L209-L214 HydrophobicContact CB-CD1 4.39Å; L209-L222 HydrophobicContact CD1-CD1 3.78Å; L209-Q244 PolarHBondContact O-NE2 2.97Å
210D74.7Confident70.2Confident75 Ų7583.6 Ų83.640%0.40146%0.462SS..  trans-59.1109.8175.4-179.4-8.3000110.9E208 S212 A213 L214E208-D210 PolarHBondContact O-N 3.45Å; D210-S212 VanDerWaalsContact CG-OG 3.27Å; D210-S212 PolarHBondContact O-N 2.79Å; D210-S212 WeakPolarHBondContact OD1-CA 3.24Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.39Å; D210-S212 PolarHBondContact OD1-N 2.81Å; D210-S212 PolarHBondContact OD1-OG 3.28Å; D210-S212 PolarHBondContact OD2-OG 2.82Å; D210-A213 HydrophobicContact CB-CB 4.03Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.1Å; D210-A213 PolarHBondContact OD1-N 2.58Å; D210-L214 WeakPolarHBondContact O-CD1 3.34Å; D210-L214 PolarHBondContact O-N 2.96Å
211A73.7Confident72.3Confident0 Ų082.5 Ų82.50%045%0.453CS..THydrogen-bonded Turntrans-73.8-13.9-176.600000111.6L209 R219 L240 D241 Q244L209-A211 PolarHBondContact O-N 3.1Å; A211-R219 PolarHBondContact O-NH1 3.46Å; A211-R219 PolarHBondContact O-NH2 2.86Å; A211-L240 HydrophobicContact CB-CD2 3.88Å; A211-L240 HydrophobicContact CB-CG 4.04Å; A211-D241 VanDerWaalsContact CB-OD1 3.27Å; A211-D241 WeakPolarHBondContact CB-OD1 3.37Å; A211-Q244 VanDerWaalsContact CB-OE1 3.28Å; A211-Q244 VanDerWaalsContact N-NE2 3.13Å
212S75.1Confident74.4Confident89 Ų8978.3 Ų78.362%0.62242%0.423SS*.THydrogen-bonded Turntrans-74.3-35.616980.30000111.7D210 R219D210-S212 VanDerWaalsContact CG-OG 3.27Å; D210-S212 PolarHBondContact O-N 2.79Å; D210-S212 WeakPolarHBondContact OD1-CA 3.24Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.39Å; D210-S212 PolarHBondContact OD1-N 2.81Å; D210-S212 PolarHBondContact OD1-OG 3.28Å; D210-S212 PolarHBondContact OD2-OG 2.82Å; S212-R219 PolarHBondContact O-NH2 2.87Å; S212-R219 VanDerWaalsContact O-NH2 3.13Å
213A80.3Confident76.3Confident74 Ų7472.1 Ų72.161%0.61239%0.393SS*.THydrogen-bonded Turntrans-77.3-27.5-176.600000114.6D210 T215D210-A213 HydrophobicContact CB-CB 4.03Å; D210-A213 PolarHBondContact O-N 2.76Å; D210-A213 VanDerWaalsContact O-N 3.1Å; D210-A213 PolarHBondContact OD1-N 2.58Å; A213-T215 PolarHBondContact O-N 2.83Å
214L81.8Confident78.3Confident22 Ų2274.2 Ų74.212%0.11540%0.398CS..SBendtrans-60.5135.3-177-94.572.6000113.2L209 D210 A218 R219 L222L209-L214 HydrophobicContact CB-CD1 4.39Å; D210-L214 WeakPolarHBondContact O-CD1 3.34Å; D210-L214 PolarHBondContact O-N 2.96Å; L214-A218 HydrophobicContact CB-CB 4.02Å; L214-A218 HydrophobicContact CD2-CB 3.96Å; L214-A218 HydrophobicContact CG-CB 3.82Å; L214-R219 HydrophobicContact CB-CG 3.99Å; L214-R219 PolarHBondContact O-NE 2.94Å; L214-R219 PolarHBondContact O-NH2 3.39Å; L214-L222 HydrophobicContact CD2-CD1 3.79Å
215T86.6Confident79.9Confident92 Ų9269.6 Ų69.656%0.56437%0.374SS*.  trans-65.3162.217372.50000111.8A213 E217 A218 R219A213-T215 PolarHBondContact O-N 2.83Å; T215-E217 PolarHBondContact O-N 2.66Å; T215-E217 VanDerWaalsContact O-N 3.14Å; T215-E217 PolarHBondContact OG1-N 3.2Å; T215-A218 PolarHBondContact O-N 3.1Å; T215-A218 WeakPolarHBondContact OG1-CB 3.35Å; T215-A218 PolarHBondContact OG1-N 2.81Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.06Å
216A86.2Confident81.4Confident74 Ų7467.3 Ų67.361%0.61236%0.363SS*.THydrogen-bonded Turntrans-63.7-15.2174.700000113.4R220A216-R220 WeakPolarHBondContact O-CG 3.37Å; A216-R220 PolarHBondContact O-NE 2.84Å
217E87.8Confident82.8Confident109 Ų10962.4 Ų62.451%0.50934%0.342SS..THydrogen-bonded Turntrans-87.4-47.3171.2-167174.5152.700112.2T215 R219 R220 Q221T215-E217 PolarHBondContact O-N 2.66Å; T215-E217 VanDerWaalsContact O-N 3.14Å; T215-E217 PolarHBondContact OG1-N 3.2Å; E217-R219 PolarHBondContact O-N 3.15Å; E217-R220 WeakPolarHBondContact O-CA 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.44Å; E217-R220 PolarHBondContact O-N 2.96Å; E217-Q221 HydrophobicContact CG-CG 4.47Å; E217-Q221 PolarHBondContact O-N 3.26Å; E217-Q221 PolarHBondContact OE1-NE2 3.3Å
218A88.5Confident84Confident5 Ų562.6 Ų62.64%0.04134%0.344CS..Hα-helixtrans-51.1-44.6173.400000111.8Y123 L214 T215 R220 Q221 L222Y123-A218 HydrophobicContact CE2-CB 4.23Å; Y123-A218 WeakPolarHBondContact OH-CB 3.23Å; L214-A218 HydrophobicContact CB-CB 4.02Å; L214-A218 HydrophobicContact CD2-CB 3.96Å; L214-A218 HydrophobicContact CG-CB 3.82Å; T215-A218 PolarHBondContact O-N 3.1Å; T215-A218 WeakPolarHBondContact OG1-CB 3.35Å; T215-A218 PolarHBondContact OG1-N 2.81Å; A218-R220 VanDerWaalsContact C-N 3.28Å; A218-R220 PolarHBondContact O-N 2.94Å; A218-Q221 PolarHBondContact O-N 3.17Å; A218-L222 VanDerWaalsContact O-CB 3.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.42Å
219R88.5Confident85.1Confident75 Ų7561.2 Ų61.228%0.28334%0.337SS..Hα-helixtrans-58.4-36.4174.3-67.3168.9-157.4-94.3-5.5113.1A211 S212 L214 T215 E217 A223 L237A211-R219 PolarHBondContact O-NH1 3.46Å; A211-R219 PolarHBondContact O-NH2 2.86Å; S212-R219 PolarHBondContact O-NH2 2.87Å; S212-R219 VanDerWaalsContact O-NH2 3.13Å; L214-R219 HydrophobicContact CB-CG 3.99Å; L214-R219 PolarHBondContact O-NE 2.94Å; L214-R219 PolarHBondContact O-NH2 3.39Å; T215-R219 VanDerWaalsContact O-CG 3.31Å; T215-R219 WeakPolarHBondContact O-CG 3.33Å; T215-R219 PolarHBondContact O-N 3.06Å; E217-R219 PolarHBondContact O-N 3.15Å; R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.64Å; R219-L237 HydrophobicContact CB-CD1 3.97Å; R219-L237 HydrophobicContact CB-CD2 4.34Å; R219-L237 HydrophobicContact CG-CD1 4.47Å; R219-L237 HydrophobicContact CG-CD2 4.22Å
220R88.4Confident85.6Confident166 Ų16661.4 Ų61.463%0.62635%0.347SS*.Hα-helixtrans-77.1-38.2178.9-73.3178.7-71159.66.8111.8A216 E217 A218 K224A216-R220 WeakPolarHBondContact O-CG 3.37Å; A216-R220 PolarHBondContact O-NE 2.84Å; E217-R220 WeakPolarHBondContact O-CA 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.44Å; E217-R220 PolarHBondContact O-N 2.96Å; A218-R220 VanDerWaalsContact C-N 3.28Å; A218-R220 PolarHBondContact O-N 2.94Å; R220-K224 WeakPolarHBondContact O-CB 2.79Å; R220-K224 PolarHBondContact O-N 2.89Å
221Q88.2Confident86.1Confident94 Ų9458 Ų5844%0.43933%0.328SS..Hα-helixtrans-63.1-48.6173.3-66.3170.9-500110.7Y123 E217 A218 A223 K224 S225Y123-Q221 HydrophobicContact CD2-CB 4.5Å; Y123-Q221 HydrophobicContact CE2-CB 4.32Å; E217-Q221 HydrophobicContact CG-CG 4.47Å; E217-Q221 PolarHBondContact O-N 3.26Å; E217-Q221 PolarHBondContact OE1-NE2 3.3Å; A218-Q221 PolarHBondContact O-N 3.17Å; Q221-A223 PolarHBondContact O-N 3.4Å; Q221-K224 WeakPolarHBondContact O-CA 3.46Å; Q221-K224 VanDerWaalsContact O-CB 3.3Å; Q221-K224 WeakPolarHBondContact O-CB 3.45Å; Q221-K224 PolarHBondContact O-N 2.92Å; Q221-S225 PolarHBondContact O-N 3.33Å
222L89.2Confident86.6Confident0 Ų060 Ų600%034%0.338CS..Hα-helixtrans-68.6-31.5178.1178.5159.5000113I119 Y123 L209 L214 A218 K224 S225 A226 F236 L237I119-L222 HydrophobicContact CG2-CG 4.42Å; Y123-L222 HydrophobicContact CD1-CD1 4.43Å; Y123-L222 HydrophobicContact CD2-CB 3.88Å; Y123-L222 HydrophobicContact CE2-CB 4.33Å; Y123-L222 HydrophobicContact CG-CB 4.31Å; Y123-L222 HydrophobicContact CG-CD1 4.28Å; L209-L222 HydrophobicContact CD1-CD1 3.78Å; L214-L222 HydrophobicContact CD2-CD1 3.79Å; A218-L222 VanDerWaalsContact O-CB 3.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 3.42Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.37Å; L222-S225 PolarHBondContact O-OG 3.38Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.82Å; L222-F236 HydrophobicContact CD1-CE1 4.17Å; L222-F236 HydrophobicContact CD2-CD1 3.26Å; L222-F236 HydrophobicContact CD2-CE1 3.59Å; L222-F236 HydrophobicContact CD2-CG 4.18Å; L222-F236 HydrophobicContact CG-CD1 4.28Å; L222-F236 HydrophobicContact CG-CE1 4.17Å; L222-L237 HydrophobicContact CD2-CD2 3.63Å; L222-L237 HydrophobicContact CD2-CG 4.06Å
223A88.6Confident86.8Confident17 Ų1758.2 Ų58.214%0.1432%0.324CS..Hα-helixtrans-69-25.1168.500000113.1R219 Q221 A227 P233 L237R219-A223 WeakPolarHBondContact O-CB 3.46Å; R219-A223 PolarHBondContact O-N 2.64Å; Q221-A223 PolarHBondContact O-N 3.4Å; A223-A227 PolarHBondContact O-N 3.3Å; A223-P233 WeakPolarHBondContact CB-O 3.35Å; A223-L237 HydrophobicContact CB-CD1 4.36Å
224K89.9Confident86.8Confident161 Ų16157.7 Ų57.770%0.732%0.315SS*.Hα-helixtrans-77.7-44.9174.3-172.7-171.5174.8-169.70111.4R220 Q221 L222 A226 A227 T228R220-K224 WeakPolarHBondContact O-CB 2.79Å; R220-K224 PolarHBondContact O-N 2.89Å; Q221-K224 WeakPolarHBondContact O-CA 3.46Å; Q221-K224 VanDerWaalsContact O-CB 3.3Å; Q221-K224 WeakPolarHBondContact O-CB 3.45Å; Q221-K224 PolarHBondContact O-N 2.92Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 3.37Å; K224-A226 VanDerWaalsContact C-N 3.34Å; K224-A227 WeakPolarHBondContact O-CB 3.37Å; K224-A227 PolarHBondContact O-N 3.45Å; K224-A227 VanDerWaalsContact O-N 3.14Å; K224-T228 PolarHBondContact O-N 3.03Å
225S89.6Confident87Confident7 Ų756.7 Ų56.75%0.04931%0.31CS..Hα-helixtrans-66.6-35.5173590000111.6E122 Q221 L222 A227 T228 F229E122-S225 WeakPolarHBondContact OE1-CB 3.41Å; Q221-S225 PolarHBondContact O-N 3.33Å; L222-S225 PolarHBondContact O-OG 3.38Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.16Å; S225-T228 PolarHBondContact O-N 3.04Å; S225-T228 VanDerWaalsContact O-N 3.17Å; S225-T228 PolarHBondContact O-OG1 2.9Å; S225-F229 VanDerWaalsContact O-CD2 3.3Å; S225-F229 WeakPolarHBondContact O-CD2 3.14Å
226A89.8Confident87.1Confident0 Ų052.3 Ų52.30%028%0.283CS..Hα-helixtrans-57.7-31.2170.800000113.5I119 L222 K224 L231 F236I119-A226 HydrophobicContact CD1-CB 4.16Å; I119-A226 HydrophobicContact CG2-CB 4.35Å; L222-A226 VanDerWaalsContact O-CB 3.27Å; L222-A226 WeakPolarHBondContact O-CB 3.12Å; L222-A226 PolarHBondContact O-N 2.82Å; K224-A226 VanDerWaalsContact C-N 3.34Å; A226-L231 WeakPolarHBondContact O-CB 3.27Å; A226-L231 PolarHBondContact O-N 3.49Å; A226-F236 HydrophobicContact CB-CB 3.62Å; A226-F236 HydrophobicContact CB-CD2 4.22Å; A226-F236 HydrophobicContact CB-CG 4.01Å
227A88.6Confident87.1Confident45 Ų4550.3 Ų50.337%0.37226%0.262SS..Hα-helixtrans-73.2-30.8178.700000113.5A223 K224 S225 F229 G230 P233A223-A227 PolarHBondContact O-N 3.3Å; K224-A227 WeakPolarHBondContact O-CB 3.37Å; K224-A227 PolarHBondContact O-N 3.45Å; K224-A227 VanDerWaalsContact O-N 3.14Å; S225-A227 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact O-N 3.16Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 2.82Å; A227-G230 PolarHBondContact O-N 3.15Å; A227-G230 VanDerWaalsContact O-N 3.14Å; A227-P233 HydrophobicContact CB-CG 4.35Å
228T89.4Confident87Confident96 Ų9647.9 Ų47.959%0.58925%0.248SC*.Hα-helixtrans-67.4-28.7-18059.50000112.6K224 S225 G230K224-T228 PolarHBondContact O-N 3.03Å; S225-T228 PolarHBondContact O-N 3.04Å; S225-T228 VanDerWaalsContact O-N 3.17Å; S225-T228 PolarHBondContact O-OG1 2.9Å; T228-G230 VanDerWaalsContact C-N 3.31Å; T228-G230 PolarHBondContact O-N 3.23Å
229F88.4Confident86.9Confident53 Ų5347.6 Ų47.623%0.23225%0.246CC..THydrogen-bonded Turntrans-86.79.2174.5-62.2-83.3000114.4Y115 L118 I119 E122 S225 A227 L231Y115-F229 HydrophobicContact CD1-CB 3.98Å; Y115-F229 AromaticContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CD1 3.69Å; Y115-F229 HydrophobicContact CD1-CG 4.12Å; Y115-F229 HydrophobicContact CD2-CB 3.95Å; Y115-F229 WeakPolarHBondContact CD2-O 3.29Å; Y115-F229 HydrophobicContact CE1-CB 4.44Å; Y115-F229 HydrophobicContact CE1-CD1 4.13Å; Y115-F229 HydrophobicContact CE2-CB 4.36Å; Y115-F229 WeakPolarHBondContact CE2-O 3.22Å; Y115-F229 HydrophobicContact CG-CB 3.73Å; Y115-F229 HydrophobicContact CG-CD1 4.23Å; Y115-F229 HydrophobicContact CG-CG 4.2Å; L118-F229 HydrophobicContact CB-CE1 3.93Å; L118-F229 HydrophobicContact CB-CZ 3.91Å; L118-F229 HydrophobicContact CD1-CE1 4.29Å; I119-F229 HydrophobicContact CD1-CB 4.41Å; I119-F229 HydrophobicContact CD1-CD2 4.04Å; I119-F229 HydrophobicContact CD1-CG 4.49Å; I119-F229 HydrophobicContact CG1-CD2 3.32Å; I119-F229 HydrophobicContact CG1-CE2 3.68Å; I119-F229 HydrophobicContact CG1-CG 4.12Å; E122-F229 WeakPolarHBondContact OE2-CE2 3.28Å; S225-F229 VanDerWaalsContact O-CD2 3.3Å; S225-F229 WeakPolarHBondContact O-CD2 3.14Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 2.82Å; F229-L231 HydrophobicContact CB-CD1 4.11Å
230G84.5Confident86.9Confident36 Ų3644.1 Ų44.137%0.37123%0.233SC..THydrogen-bonded Turntrans67.551.5-177.600000112.8N111 A227 T228 Y317N111-G230 PolarHBondContact ND2-O 2.86Å; A227-G230 PolarHBondContact O-N 3.15Å; A227-G230 VanDerWaalsContact O-N 3.14Å; T228-G230 VanDerWaalsContact C-N 3.31Å; T228-G230 PolarHBondContact O-N 3.23Å; G230-Y317 WeakPolarHBondContact O-CE1 3.36Å
231L85.6Confident86.7Confident3 Ų339.2 Ų39.22%0.01622%0.22CC..  trans-111.1150.1157.5-7168.9000109.8N111 Y112 Y115 I119 A226 F229 F236N111-L231 HydrophobicContact CB-CD1 4.48Å; Y112-L231 HydrophobicContact CD2-CD2 4.41Å; Y115-L231 HydrophobicContact CD2-CD1 3.65Å; Y115-L231 HydrophobicContact CG-CD1 4.29Å; I119-L231 HydrophobicContact CD1-CD1 3.97Å; I119-L231 HydrophobicContact CD1-CD2 4Å; A226-L231 WeakPolarHBondContact O-CB 3.27Å; A226-L231 PolarHBondContact O-N 3.49Å; F229-L231 HydrophobicContact CB-CD1 4.11Å; L231-F236 HydrophobicContact CD2-CB 4.07Å; L231-F236 HydrophobicContact CD2-CD2 3.73Å; L231-F236 HydrophobicContact CD2-CG 4.41Å
232H83.4Confident86.5Confident43 Ų4334.9 Ų34.920%0.19920%0.2CC..  trans-63.2134.4168.2-175.4-93.1000109.9S234 D235 D316 Y317H232-S234 PolarHBondContact CE1-OG 3.15Å; H232-S234 PolarHBondContact ND1-N 3.12Å; H232-S234 PolarHBondContact ND1-OG 3.03Å; H232-S234 PolarHBondContact O-N 2.8Å; H232-D235 HydrophobicContact CB-CB 4.3Å; H232-D235 WeakPolarHBondContact O-CB 3.37Å; H232-D235 PolarHBondContact O-N 2.97Å; H232-D316 PolarHBondContact CD2-O 3.43Å; H232-Y317 HydrophobicContact CB-CD2 4.17Å; H232-Y317 HydrophobicContact CB-CE2 3.53Å; H232-Y317 PolarHBondContact N-OH 2.83Å
233P79.1Confident86.2Confident51 Ų5135.2 Ų35.233%0.33120%0.201SC..THydrogen-bonded Turntrans-57.7-20.3-171.4-29.135.3000116.1A223 A227A223-P233 WeakPolarHBondContact CB-O 3.35Å; A227-P233 HydrophobicContact CB-CG 4.35Å
234S81.9Confident86Confident62 Ų6236.1 Ų36.143%0.43420%0.203SC..THydrogen-bonded Turntrans-99-5.5174.570.40000115.3H232 R238H232-S234 PolarHBondContact CE1-OG 3.15Å; H232-S234 PolarHBondContact ND1-N 3.12Å; H232-S234 PolarHBondContact ND1-OG 3.03Å; H232-S234 PolarHBondContact O-N 2.8Å; S234-R238 WeakPolarHBondContact O-CB 3.5Å
235D85.1Confident85.6Confident1 Ų134.2 Ų34.21%0.00520%0.197CC..Hα-helixtrans-73.2-47.2178.6-84.8-12.3000111.2R108 H232 R238 L239 Y317R108-D235 IonicContact CZ-OD1 2.55Å; R108-D235 IonicContact CZ-OD2 3.2Å; R108-D235 VanDerWaalsContact CZ-OD2 3.28Å; R108-D235 IonicContact NE-OD1 3.1Å; R108-D235 IonicContact NE-OD2 2.66Å; R108-D235 PolarHBondContact NE-OD2 2.92Å; R108-D235 VanDerWaalsContact NH2-CG 3.26Å; R108-D235 IonicContact NH2-OD1 3.96Å; R108-D235 PolarHBondContact NH2-OD1 3.43Å; R108-D235 IonicContact NH2-OD2 3.73Å; R108-D235 PolarHBondContact NH2-OD2 3.19Å; H232-D235 HydrophobicContact CB-CB 4.3Å; H232-D235 WeakPolarHBondContact O-CB 3.37Å; H232-D235 PolarHBondContact O-N 2.97Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.73Å; D235-R238 IonicContact OD1-NE 3.84Å; D235-R238 IonicContact OD1-NH2 3.73Å; D235-R238 PolarHBondContact OD1-NH2 2.9Å; D235-L239 HydrophobicContact CB-CD1 4.31Å; D235-L239 WeakPolarHBondContact O-CB 3.2Å; D235-L239 VanDerWaalsContact O-CG 3.23Å; D235-L239 WeakPolarHBondContact O-CG 3.33Å; D235-L239 PolarHBondContact O-N 2.84Å; D235-Y317 PolarHBondContact OD2-OH 2.9Å
236F88.5Confident85Confident0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-59.6-56.8-172.7-169-81000112.8Y112 R116 I119 H120 L222 A226 L231 R238 L239 L240Y112-F236 AromaticContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CD2 3.86Å; Y112-F236 HydrophobicContact CD2-CE2 4.19Å; Y112-F236 HydrophobicContact CD2-CG 4.42Å; Y112-F236 AromaticContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CD2 3.95Å; Y112-F236 HydrophobicContact CE2-CE2 4.01Å; Y112-F236 HydrophobicContact CE2-CG 4.31Å; Y112-F236 HydrophobicContact CE2-CZ 4.4Å; R116-F236 HydrophobicContact CG-CE2 4.42Å; R116-F236 HydrophobicContact CG-CZ 4.38Å; I119-F236 HydrophobicContact CB-CD2 4.29Å; I119-F236 HydrophobicContact CB-CE2 3.6Å; I119-F236 HydrophobicContact CB-CZ 3.94Å; I119-F236 HydrophobicContact CD1-CD2 3.48Å; I119-F236 VanDerWaalsContact CD1-CD2 3.48Å; I119-F236 HydrophobicContact CD1-CE2 3.49Å; I119-F236 VanDerWaalsContact CD1-CE2 3.49Å; I119-F236 HydrophobicContact CG1-CD2 4.45Å; I119-F236 HydrophobicContact CG1-CE2 4.12Å; I119-F236 HydrophobicContact CG2-CD1 4.47Å; I119-F236 HydrophobicContact CG2-CD2 3.95Å; I119-F236 HydrophobicContact CG2-CE1 4.08Å; I119-F236 HydrophobicContact CG2-CE2 3.51Å; I119-F236 HydrophobicContact CG2-CG 4.4Å; I119-F236 HydrophobicContact CG2-CZ 3.59Å; H120-F236 AromaticContact CD2-CZ 3.58Å; H120-F236 AromaticContact NE2-CE1 3.98Å; H120-F236 AromaticContact NE2-CZ 3.67Å; L222-F236 HydrophobicContact CD1-CE1 4.17Å; L222-F236 HydrophobicContact CD2-CD1 3.26Å; L222-F236 HydrophobicContact CD2-CE1 3.59Å; L222-F236 HydrophobicContact CD2-CG 4.18Å; L222-F236 HydrophobicContact CG-CD1 4.28Å; L222-F236 HydrophobicContact CG-CE1 4.17Å; A226-F236 HydrophobicContact CB-CB 3.62Å; A226-F236 HydrophobicContact CB-CD2 4.22Å; A226-F236 HydrophobicContact CB-CG 4.01Å; L231-F236 HydrophobicContact CD2-CB 4.07Å; L231-F236 HydrophobicContact CD2-CD2 3.73Å; L231-F236 HydrophobicContact CD2-CG 4.41Å; F236-R238 VanDerWaalsContact C-N 3.26Å; F236-R238 PolarHBondContact O-N 3.33Å; F236-L239 PolarHBondContact O-N 3.49Å; F236-L239 VanDerWaalsContact O-N 3.13Å; F236-L240 HydrophobicContact CE1-CB 4.44Å; F236-L240 HydrophobicContact CE1-CD2 4.05Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 3.05Å
237L87.1Confident84.3Confident33 Ų3338.3 Ų38.317%0.17322%0.215CC..Hα-helixtrans-57.9-39.7179.2-70.5170.9000112.1R219 L222 A223 L239 L240 D241R219-L237 HydrophobicContact CB-CD1 3.97Å; R219-L237 HydrophobicContact CB-CD2 4.34Å; R219-L237 HydrophobicContact CG-CD1 4.47Å; R219-L237 HydrophobicContact CG-CD2 4.22Å; L222-L237 HydrophobicContact CD2-CD2 3.63Å; L222-L237 HydrophobicContact CD2-CG 4.06Å; A223-L237 HydrophobicContact CB-CD1 4.36Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 2.69Å; L237-L240 PolarHBondContact O-N 2.9Å; L237-D241 WeakPolarHBondContact O-CB 3.37Å; L237-D241 PolarHBondContact O-N 2.85Å
238R84.8Confident83.9Confident57 Ų5740.4 Ų40.422%0.21522%0.223CC..Hα-helixtrans-68.8-31179.7179.7-174.462.676.2-11.1112.9S234 D235 F236 A242 A309 S310S234-R238 WeakPolarHBondContact O-CB 3.5Å; D235-R238 PolarHBondContact O-N 2.89Å; D235-R238 IonicContact OD1-CZ 2.73Å; D235-R238 IonicContact OD1-NE 3.84Å; D235-R238 IonicContact OD1-NH2 3.73Å; D235-R238 PolarHBondContact OD1-NH2 2.9Å; F236-R238 VanDerWaalsContact C-N 3.26Å; F236-R238 PolarHBondContact O-N 3.33Å; R238-A242 WeakPolarHBondContact O-CB 3.11Å; R238-A242 PolarHBondContact O-N 3.35Å; R238-A309 HydrophobicContact CG-CB 4.34Å; R238-A309 PolarHBondContact NH1-O 3.15Å; R238-S310 VanDerWaalsContact NH1-CA 3.35Å; R238-S310 VanDerWaalsContact NH1-N 3.13Å; R238-S310 PolarHBondContact NH1-OG 2.97Å; R238-S310 PolarHBondContact NH2-OG 2.92Å
239L86.6Confident83.1Confident0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-85.7-29.9177.5-66.8170.7000111.6L109 Y112 D235 F236 L237 A242 D243 Y306L109-L239 HydrophobicContact CD2-CD1 3.78Å; L109-L239 HydrophobicContact CD2-CD2 3.45Å; L109-L239 VanDerWaalsContact CD2-CD2 3.45Å; L109-L239 HydrophobicContact CD2-CG 4.3Å; Y112-L239 HydrophobicContact CD1-CB 3.9Å; Y112-L239 HydrophobicContact CD1-CD1 4.09Å; Y112-L239 HydrophobicContact CD2-CB 3.74Å; Y112-L239 HydrophobicContact CD2-CD1 4Å; Y112-L239 HydrophobicContact CE1-CB 3.83Å; Y112-L239 HydrophobicContact CE2-CB 3.65Å; Y112-L239 HydrophobicContact CG-CB 3.86Å; Y112-L239 HydrophobicContact CG-CD1 3.61Å; Y112-L239 HydrophobicContact CG-CG 4.37Å; D235-L239 HydrophobicContact CB-CD1 4.31Å; D235-L239 WeakPolarHBondContact O-CB 3.2Å; D235-L239 VanDerWaalsContact O-CG 3.23Å; D235-L239 WeakPolarHBondContact O-CG 3.33Å; D235-L239 PolarHBondContact O-N 2.84Å; F236-L239 PolarHBondContact O-N 3.49Å; F236-L239 VanDerWaalsContact O-N 3.13Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 2.69Å; L239-A242 CarbonylContact O-C 3.56Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 2.73Å; L239-D243 PolarHBondContact O-N 3.34Å; L239-Y306 HydrophobicContact CD2-CD1 3.84Å; L239-Y306 HydrophobicContact CD2-CE1 4.48Å; L239-Y306 HydrophobicContact CD2-CG 4.18Å
240L87.6Confident82.3Confident2 Ų239.2 Ų39.21%0.0121%0.213CC..Hα-helixtrans-67.4-46.1170-174.166.8000111.8Y112 A211 F236 L237 A242 D243 Q244Y112-L240 WeakPolarHBondContact OH-CA 3.43Å; Y112-L240 PolarHBondContact OH-N 2.96Å; A211-L240 HydrophobicContact CB-CD2 3.88Å; A211-L240 HydrophobicContact CB-CG 4.04Å; F236-L240 HydrophobicContact CE1-CB 4.44Å; F236-L240 HydrophobicContact CE1-CD2 4.05Å; F236-L240 WeakPolarHBondContact O-CB 3.49Å; F236-L240 PolarHBondContact O-N 3.05Å; L237-L240 PolarHBondContact O-N 2.9Å; L240-A242 PolarHBondContact O-N 3.46Å; L240-D243 PolarHBondContact O-N 3.49Å; L240-Q244 PolarHBondContact O-N 3.17Å
241D84.7Confident81.7Confident63 Ų6345.5 Ų45.534%0.33723%0.226SC..Hα-helixtrans-54.2-37.4169.3-81.4-6.5000111.4A211 L237 Q245A211-D241 VanDerWaalsContact CB-OD1 3.27Å; A211-D241 WeakPolarHBondContact CB-OD1 3.37Å; L237-D241 WeakPolarHBondContact O-CB 3.37Å; L237-D241 PolarHBondContact O-N 2.85Å; D241-Q245 VanDerWaalsContact O-CG 3.24Å; D241-Q245 WeakPolarHBondContact O-CG 3.01Å; D241-Q245 PolarHBondContact O-N 2.88Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 3.39Å
242A84Confident81.1Confident3 Ų349.4 Ų49.43%0.02525%0.246CC..Hα-helixtrans-77.3-36-179.400000113.1R238 L239 L240 L246 V305 Y306 A309R238-A242 WeakPolarHBondContact O-CB 3.11Å; R238-A242 PolarHBondContact O-N 3.35Å; L239-A242 CarbonylContact O-C 3.56Å; L239-A242 WeakPolarHBondContact O-CB 3.47Å; L239-A242 PolarHBondContact O-N 2.73Å; L240-A242 PolarHBondContact O-N 3.46Å; A242-L246 WeakPolarHBondContact O-CB 3.26Å; A242-L246 PolarHBondContact O-N 3.31Å; A242-V305 HydrophobicContact CB-CG1 4.03Å; A242-Y306 HydrophobicContact CB-CD1 4.37Å; A242-A309 HydrophobicContact CB-CB 4.45Å
243D84.1Confident80.4Confident6 Ų648.5 Ų48.53%0.03225%0.246CC..Hα-helixtrans-61.2-46.6171.3-93.9-17.4000110.5Y112 R116 L239 L240 L246 E247 R302 Y306Y112-D243 WeakPolarHBondContact CE1-OD2 3.37Å; Y112-D243 PolarHBondContact OH-OD2 3.45Å; R116-D243 IonicContact CZ-OD2 4Å; R116-D243 IonicContact NH1-OD2 3.27Å; R116-D243 PolarHBondContact NH1-OD2 2.93Å; L239-D243 PolarHBondContact O-N 3.34Å; L240-D243 PolarHBondContact O-N 3.49Å; D243-L246 CarbonylContact O-C 3.59Å; D243-L246 WeakPolarHBondContact O-CB 3.35Å; D243-L246 PolarHBondContact O-N 2.55Å; D243-L246 VanDerWaalsContact O-N 3.12Å; D243-E247 PolarHBondContact O-N 3.46Å; D243-R302 IonicContact OD1-NE 3.24Å; D243-Y306 WeakPolarHBondContact OD1-CE1 3.19Å; D243-Y306 PolarHBondContact OD1-OH 3.42Å
244Q83.7Confident79.9Confident37 Ų3752.9 Ų52.917%0.17326%0.26CS..Hα-helixtrans-65.7-40.2179.7-73.3160.620.800112.4L209 A211 L240 L246 E247 V248L209-Q244 PolarHBondContact O-NE2 2.97Å; A211-Q244 VanDerWaalsContact CB-OE1 3.28Å; A211-Q244 VanDerWaalsContact N-NE2 3.13Å; L240-Q244 PolarHBondContact O-N 3.17Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.83Å; Q244-E247 PolarHBondContact O-N 3.19Å; Q244-V248 WeakPolarHBondContact O-CB 3.4Å; Q244-V248 WeakPolarHBondContact O-CG2 3.33Å; Q244-V248 PolarHBondContact O-N 3.41Å
245Q80.6Confident79.4Confident121 Ų12152.7 Ų52.757%0.56526%0.263SS*.Hα-helixtrans-60.1-40.5171.3-75.6166.357.100111.9D241 E249D241-Q245 VanDerWaalsContact O-CG 3.24Å; D241-Q245 WeakPolarHBondContact O-CG 3.01Å; D241-Q245 PolarHBondContact O-N 2.88Å; D241-Q245 VanDerWaalsContact O-N 3.15Å; D241-Q245 PolarHBondContact O-NE2 3.39Å; Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 PolarHBondContact O-N 3.35Å
246L77.1Confident78.7Confident17 Ų1756.3 Ų56.39%0.08928%0.281CS..Hα-helixtrans-70.5-37.6176.8174.4142.8000112.8A242 D243 Q244 E249 L250 R302 V305A242-L246 WeakPolarHBondContact O-CB 3.26Å; A242-L246 PolarHBondContact O-N 3.31Å; D243-L246 CarbonylContact O-C 3.59Å; D243-L246 WeakPolarHBondContact O-CB 3.35Å; D243-L246 PolarHBondContact O-N 2.55Å; D243-L246 VanDerWaalsContact O-N 3.12Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 PolarHBondContact O-N 2.83Å; L246-E249 PolarHBondContact O-N 3.18Å; L246-L250 HydrophobicContact CD2-CD1 3.64Å; L246-L250 HydrophobicContact CD2-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.83Å; L246-R302 HydrophobicContact CD1-CB 4.27Å; L246-R302 HydrophobicContact CD1-CG 3.73Å; L246-R302 HydrophobicContact CD2-CG 4.08Å; L246-V305 HydrophobicContact CB-CG2 4.43Å; L246-V305 HydrophobicContact CD1-CB 4.46Å; L246-V305 HydrophobicContact CD1-CG2 3.81Å
247E76.3Confident77.5Confident76 Ų7661 Ų6136%0.35530%0.303SS..Hα-helixtrans-64.1-46.9175.4-155.4-77.813700110.3D243 Q244 E249 L250 R251D243-E247 PolarHBondContact O-N 3.46Å; Q244-E247 PolarHBondContact O-N 3.19Å; E247-E249 PolarHBondContact O-N 3.18Å; E247-L250 PolarHBondContact O-N 3Å; E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.48Å
248V78.8Confident76.4Confident89 Ų8964.8 Ų64.854%0.53932%0.32SS..Hα-helixtrans-61.7-43.5173.7171.80000112Q244 R251 L252Q244-V248 WeakPolarHBondContact O-CB 3.4Å; Q244-V248 WeakPolarHBondContact O-CG2 3.33Å; Q244-V248 PolarHBondContact O-N 3.41Å; V248-R251 PolarHBondContact O-N 3.1Å; V248-L252 VanDerWaalsContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CB 3.46Å; V248-L252 PolarHBondContact O-N 3.16Å
249E74.4Confident75.5Confident59 Ų5964.9 Ų64.928%0.27632%0.323SS..Hα-helixtrans-63.7-40.3174.8-83-154.3-154.900112.3Q245 L246 E247 A253 G293 I300Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 PolarHBondContact O-N 3.35Å; L246-E249 PolarHBondContact O-N 3.18Å; E247-E249 PolarHBondContact O-N 3.18Å; E249-A253 WeakPolarHBondContact O-CB 3.28Å; E249-A253 PolarHBondContact O-N 3.23Å; E249-G293 PolarHBondContact OE2-N 3.5Å; E249-I300 VanDerWaalsContact OE2-CD1 3.3Å; E249-I300 WeakPolarHBondContact OE2-CD1 3.38Å
250L70.3Confident74.4Confident64 Ų6467.9 Ų67.934%0.33534%0.336SS..Hα-helixtrans-67.3-39.9175.7-75.6173.7000112.1L246 E247 A253 K254 P299L246-L250 HydrophobicContact CD2-CD1 3.64Å; L246-L250 HydrophobicContact CD2-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.44Å; L246-L250 VanDerWaalsContact O-CG 3.26Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 2.83Å; E247-L250 PolarHBondContact O-N 3Å; L250-A253 PolarHBondContact O-N 3.44Å; L250-K254 WeakPolarHBondContact O-CB 3.06Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 2.81Å; L250-P299 HydrophobicContact CD2-CB 4.48Å
251R71.2Confident73.1Confident168 Ų16872.9 Ų72.963%0.63436%0.362SS*.Hα-helixtrans-63.6-44175.8-170.3175.1-173.8134.1-2.3111.2E247 V248 K254 A255E247-R251 VanDerWaalsContact O-CB 3.29Å; E247-R251 WeakPolarHBondContact O-CB 3.38Å; E247-R251 PolarHBondContact O-N 3.48Å; V248-R251 PolarHBondContact O-N 3.1Å; R251-K254 PolarHBondContact O-N 3.09Å; R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.47Å
252L74.3Confident72Confident85 Ų8576 Ų7645%0.44538%0.375SS..Hα-helixtrans-67.5-38.9174.4-176.6146.1000112V248 A255 L256 I292V248-L252 VanDerWaalsContact O-CB 3.31Å; V248-L252 WeakPolarHBondContact O-CB 3.46Å; V248-L252 PolarHBondContact O-N 3.16Å; L252-A255 PolarHBondContact O-N 2.99Å; L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.27Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.5Å; L252-I292 HydrophobicContact CD2-CG2 4.14Å
253A68.4Low70.7Confident24 Ų2477 Ų7720%0.19838%0.38CS..Hα-helixtrans-64.1-44.4175.100000112E249 L250 L256 E257E249-A253 WeakPolarHBondContact O-CB 3.28Å; E249-A253 PolarHBondContact O-N 3.23Å; L250-A253 PolarHBondContact O-N 3.44Å; A253-L256 PolarHBondContact O-N 3.14Å; A253-E257 PolarHBondContact O-N 3.09Å
254K69.2Low69.1Low144 Ų14481.1 Ų81.163%0.62641%0.408SS*.Hα-helixtrans-58-48.2172.5-75.8169.7-179172.90111.2L250 R251 L256 E257 E258L250-K254 WeakPolarHBondContact O-CB 3.06Å; L250-K254 VanDerWaalsContact O-CG 3.28Å; L250-K254 WeakPolarHBondContact O-CG 3.48Å; L250-K254 PolarHBondContact O-N 2.81Å; R251-K254 PolarHBondContact O-N 3.09Å; K254-L256 PolarHBondContact O-N 3.17Å; K254-E257 PolarHBondContact O-N 2.86Å; K254-E257 VanDerWaalsContact O-N 3.1Å; K254-E258 PolarHBondContact O-N 2.74Å
255A70.9Confident67.6Low58 Ų5881.3 Ų81.348%0.47942%0.421SS..Hα-helixtrans-61.8-41.1177.400000112.7R251 L252 E257 E258 E259R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.47Å; L252-A255 PolarHBondContact O-N 2.99Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.86Å; A255-E258 PolarHBondContact O-N 3.47Å; A255-E259 PolarHBondContact O-N 3.34Å
256L71.1Confident66.3Low76 Ų7687.4 Ų87.440%0.39844%0.439SS..Hα-helixtrans-68.9-25.3174.2-74.2178.1000113.3L252 A253 K254 K260L252-L256 HydrophobicContact CD2-CD1 3.61Å; L252-L256 HydrophobicContact CD2-CG 4.27Å; L252-L256 WeakPolarHBondContact O-CB 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.5Å; A253-L256 PolarHBondContact O-N 3.14Å; K254-L256 PolarHBondContact O-N 3.17Å; L256-K260 VanDerWaalsContact O-CD 3.28Å; L256-K260 WeakPolarHBondContact O-CD 3.22Å; L256-K260 WeakPolarHBondContact O-CE 3.49Å; L256-K260 WeakPolarHBondContact O-CG 3.4Å; L256-K260 PolarHBondContact O-N 2.71Å; L256-K260 PolarHBondContact O-NZ 3.4Å
257E61.9Low65Low100 Ų10095.6 Ų95.647%0.46747%0.473SS..Hα-helixtrans-77.3-43.3170.2-179.8147.3-121.100112A253 K254 A255 E259 K260 L261A253-E257 PolarHBondContact O-N 3.09Å; K254-E257 PolarHBondContact O-N 2.86Å; K254-E257 VanDerWaalsContact O-N 3.1Å; A255-E257 VanDerWaalsContact C-N 3.3Å; A255-E257 PolarHBondContact O-N 2.86Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 2.95Å; E257-K260 WeakPolarHBondContact O-CA 3.44Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.41Å; E257-K260 VanDerWaalsContact O-N 3.07Å; E257-L261 HydrophobicContact CG-CD1 4Å; E257-L261 HydrophobicContact CG-CG 4.4Å; E257-L261 WeakPolarHBondContact O-CG 3.36Å; E257-L261 PolarHBondContact O-N 3.43Å
258E64.4Low64.1Low112 Ų11292.9 Ų92.952%0.52346%0.463SS..Hα-helixtrans-60.6-42175.7-153.2-155.7138.200111.3K254 A255 K260 L261 Q262K254-E258 PolarHBondContact O-N 2.74Å; A255-E258 PolarHBondContact O-N 3.47Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.46Å; E258-L261 CarbonylContact O-C 3.6Å; E258-L261 WeakPolarHBondContact O-CA 3.47Å; E258-L261 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact O-CG 3.4Å; E258-Q262 PolarHBondContact O-N 3.49Å; E258-Q262 PolarHBondContact OE1-NE2 3.03Å
259E65.4Low63Low58 Ų5897.6 Ų97.627%0.27147%0.471SS..Hα-helixtrans-56.1-46.8172.8-166.1-162.9-125.700111.1A255 E257 L261 Q262 L263 L275 R279A255-E259 PolarHBondContact O-N 3.34Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 2.95Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.81Å; E259-Q262 PolarHBondContact O-N 3.49Å; E259-L263 HydrophobicContact CG-CD1 3.99Å; E259-L263 VanDerWaalsContact O-CB 3.32Å; E259-L263 WeakPolarHBondContact O-CB 3.44Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 2.92Å; E259-L275 WeakPolarHBondContact OE1-CD1 3.45Å; E259-R279 IonicContact OE2-CZ 2.64Å; E259-R279 IonicContact OE2-NE 3.18Å; E259-R279 IonicContact OE2-NH2 3.04Å; E259-R279 PolarHBondContact OE2-NH2 3.04Å
260K65Low62.3Low64 Ų64105.1 Ų105.128%0.27850%0.497SS..Hα-helixtrans-60.6-36.6175.7-64.7161-152139.10111.9L256 E257 E258 L263 S264 F436L256-K260 VanDerWaalsContact O-CD 3.28Å; L256-K260 WeakPolarHBondContact O-CD 3.22Å; L256-K260 WeakPolarHBondContact O-CE 3.49Å; L256-K260 WeakPolarHBondContact O-CG 3.4Å; L256-K260 PolarHBondContact O-N 2.71Å; L256-K260 PolarHBondContact O-NZ 3.4Å; E257-K260 WeakPolarHBondContact O-CA 3.44Å; E257-K260 WeakPolarHBondContact O-CB 3.49Å; E257-K260 PolarHBondContact O-N 3.41Å; E257-K260 VanDerWaalsContact O-N 3.07Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.46Å; K260-L263 CarbonylContact O-C 3.39Å; K260-L263 WeakPolarHBondContact O-CB 3.43Å; K260-L263 PolarHBondContact O-N 3.02Å; K260-S264 PolarHBondContact O-N 2.91Å; K260-F436 HydrophobicContact CB-CE1 3.97Å; K260-F436 HydrophobicContact CB-CZ 4.14Å; K260-F436 HydrophobicContact CD-CE1 3.79Å; K260-F436 HydrophobicContact CD-CZ 4.1Å; K260-F436 HydrophobicContact CG-CE1 4.32Å; K260-F436 HydrophobicContact CG-CZ 4.33Å
261L60Low61.8Low107 Ų107104.8 Ų104.856%0.5650%0.5SS*.Hα-helixtrans-74.3-42179.8-70.7169.9000112.5E257 E258 E259 L263 S264E257-L261 HydrophobicContact CG-CD1 4Å; E257-L261 HydrophobicContact CG-CG 4.4Å; E257-L261 WeakPolarHBondContact O-CG 3.36Å; E257-L261 PolarHBondContact O-N 3.43Å; E258-L261 CarbonylContact O-C 3.6Å; E258-L261 WeakPolarHBondContact O-CA 3.47Å; E258-L261 PolarHBondContact O-N 3.34Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.81Å; L261-L263 PolarHBondContact O-N 3.24Å; L261-S264 WeakPolarHBondContact O-CB 3.36Å; L261-S264 PolarHBondContact O-N 2.88Å
262Q61.7Low61.3Low129 Ų129100.8 Ų100.860%0.60349%0.485SS*.Hα-helixtrans-61.1-28.4169.1-65.9-179.416.700111.7E258 E259 S264 S268E258-Q262 WeakPolarHBondContact O-CG 3.4Å; E258-Q262 PolarHBondContact O-N 3.49Å; E258-Q262 PolarHBondContact OE1-NE2 3.03Å; E259-Q262 PolarHBondContact O-N 3.49Å; Q262-S264 VanDerWaalsContact C-N 3.31Å; Q262-S268 PolarHBondContact O-OG 2.92Å
263L55.6Low60.7Low24 Ų24105 Ų10513%0.12650%0.495CS..THydrogen-bonded Turntrans-83.52.6171.6-66.6164.4000113.8E259 K260 L261 R272 L275E259-L263 HydrophobicContact CG-CD1 3.99Å; E259-L263 VanDerWaalsContact O-CB 3.32Å; E259-L263 WeakPolarHBondContact O-CB 3.44Å; E259-L263 VanDerWaalsContact O-CD1 3.26Å; E259-L263 WeakPolarHBondContact O-CD1 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 2.92Å; K260-L263 CarbonylContact O-C 3.39Å; K260-L263 WeakPolarHBondContact O-CB 3.43Å; K260-L263 PolarHBondContact O-N 3.02Å; L261-L263 PolarHBondContact O-N 3.24Å; L263-R272 HydrophobicContact CB-CG 4.05Å; L263-R272 HydrophobicContact CD2-CG 3.74Å; L263-R272 HydrophobicContact CG-CG 4.44Å; L263-R272 WeakPolarHBondContact O-CD 3.29Å; L263-R272 PolarHBondContact O-NH1 2.96Å; L263-L275 HydrophobicContact CD1-CD2 3.28Å; L263-L275 HydrophobicContact CD1-CG 4.32Å
264S50.5Low60.4Low91 Ų91109.6 Ų109.664%0.63652%0.515SS*.  trans-86.9132.2173.6-165.90000111.5K260 L261 Q262K260-S264 PolarHBondContact O-N 2.91Å; L261-S264 WeakPolarHBondContact O-CB 3.36Å; L261-S264 PolarHBondContact O-N 2.88Å; Q262-S264 VanDerWaalsContact C-N 3.31Å
265G53.7Low60.1Low42 Ų42104.1 Ų104.143%0.43349%0.493SS..SBendtrans117.3166.3174.600000116.5K267 R272G265-K267 PolarHBondContact O-N 3.31Å; G265-R272 PolarHBondContact O-NH1 3.34Å; G265-R272 PolarHBondContact O-NH2 3.15Å
266R52.4Low59.8Low248 Ų248110.8 Ų110.894%0.93651%0.506SS*.SBendtrans-65.5-37.2-171-74.8-174.9175-173.9-0.3113.9
267K48.8Very low59.4Low189 Ų189112.3 Ų112.382%0.82251%0.511SS*.G310 helixtrans-69.3-32.8-177-66.4-173.4178.9-176.80113.5G265 R269G265-K267 PolarHBondContact O-N 3.31Å; K267-R269 PolarHBondContact O-N 3.49Å
268S58.2Low59.5Low19 Ų19115.2 Ų115.213%0.13352%0.518CS..G310 helixtrans-73.925.2-173.1-150.60000115.3Q262 R272Q262-S268 PolarHBondContact O-OG 2.92Å; S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.5Å; S268-R272 PolarHBondContact O-N 2.95Å
269R55.9Low59.4Low189 Ų189115.8 Ų115.871%0.71352%0.515SS*.G310 helixtrans-74.6-26.5-176.2-176.4170.5168.1143-5.6113.8K267K267-R269 PolarHBondContact O-N 3.49Å
270R58.5Low59Low216 Ų216116.1 Ų116.182%0.81553%0.528SS*.THydrogen-bonded Turntrans-74.7-48.3170-104.3-170.8177.8-162.6-0.3111R272 R273 L274R270-R272 VanDerWaalsContact C-N 3.33Å; R270-R272 PolarHBondContact O-N 3.34Å; R270-R273 WeakPolarHBondContact O-CA 3.47Å; R270-R273 WeakPolarHBondContact O-CB 3.32Å; R270-R273 PolarHBondContact O-N 3.17Å; R270-L274 PolarHBondContact O-N 2.83Å; R270-L274 VanDerWaalsContact O-N 3.09Å
271S59.8Low58.6Low58 Ų58120.7 Ų120.741%0.40655%0.55SS..Hα-helixtrans-59.1-41.5178.9-390000112.3R273 L274 L275S271-R273 PolarHBondContact O-N 2.86Å; S271-L274 PolarHBondContact O-N 3.25Å; S271-L275 WeakPolarHBondContact O-CB 3.4Å; S271-L275 PolarHBondContact O-N 3Å
272R61.3Low58.2Low84 Ų84119.5 Ų119.532%0.31754%0.542SS..Hα-helixtrans-65.2-14.5171.4-74.9-172.1-60.4-101.5-4.1115.4L263 G265 S268 R270 R276L263-R272 HydrophobicContact CB-CG 4.05Å; L263-R272 HydrophobicContact CD2-CG 3.74Å; L263-R272 HydrophobicContact CG-CG 4.44Å; L263-R272 WeakPolarHBondContact O-CD 3.29Å; L263-R272 PolarHBondContact O-NH1 2.96Å; G265-R272 PolarHBondContact O-NH1 3.34Å; G265-R272 PolarHBondContact O-NH2 3.15Å; S268-R272 WeakPolarHBondContact O-CB 3.47Å; S268-R272 WeakPolarHBondContact O-CG 3.5Å; S268-R272 PolarHBondContact O-N 2.95Å; R270-R272 VanDerWaalsContact C-N 3.33Å; R270-R272 PolarHBondContact O-N 3.34Å; R272-R276 WeakPolarHBondContact O-CD 3.37Å; R272-R276 VanDerWaalsContact O-CG 3.27Å; R272-R276 WeakPolarHBondContact O-CG 3.38Å
273R63Low57.3Low174 Ų174122.6 Ų122.666%0.65755%0.553SS**Hα-helixtrans-83.9-54.7167.8-89.7-172.1168.7-176.8-5.7110.2R270 S271 L275 R276 E277R270-R273 WeakPolarHBondContact O-CA 3.47Å; R270-R273 WeakPolarHBondContact O-CB 3.32Å; R270-R273 PolarHBondContact O-N 3.17Å; S271-R273 PolarHBondContact O-N 2.86Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.31Å; R273-R276 CarbonylContact O-C 3.54Å; R273-R276 WeakPolarHBondContact O-CA 3.48Å; R273-R276 WeakPolarHBondContact O-CB 3.4Å; R273-R276 PolarHBondContact O-N 3.2Å; R273-E277 PolarHBondContact O-N 3.23Å
274L62.1Low56.5Low119 Ų119129 Ų12962%0.62358%0.58SS**Hα-helixtrans-53.5-42.9179-74.1165000112.5R270 S271 E277 R278R270-L274 PolarHBondContact O-N 2.83Å; R270-L274 VanDerWaalsContact O-N 3.09Å; S271-L274 PolarHBondContact O-N 3.25Å; L274-E277 PolarHBondContact O-N 3.48Å; L274-R278 PolarHBondContact O-N 3.36Å
275L62.5Low55.9Low29 Ų29129.1 Ų129.115%0.15258%0.579CS.*Hα-helixtrans-65.6-39174.9-169.982.9000112.8E259 L263 S271 R273 E277 R278 R279E259-L275 WeakPolarHBondContact OE1-CD1 3.45Å; L263-L275 HydrophobicContact CD1-CD2 3.28Å; L263-L275 HydrophobicContact CD1-CG 4.32Å; S271-L275 WeakPolarHBondContact O-CB 3.4Å; S271-L275 PolarHBondContact O-N 3Å; R273-L275 VanDerWaalsContact C-N 3.28Å; R273-L275 PolarHBondContact O-N 3.31Å; L275-E277 VanDerWaalsContact C-N 3.25Å; L275-E277 PolarHBondContact O-N 3.17Å; L275-R278 PolarHBondContact O-N 3.12Å; L275-R279 HydrophobicContact CG-CG 4.34Å; L275-R279 WeakPolarHBondContact O-CB 3.49Å; L275-R279 WeakPolarHBondContact O-CG 3.37Å; L275-R279 PolarHBondContact O-N 3.37Å
276R63.9Low55.3Low198 Ų198138.5 Ų138.575%0.74760%0.601SS**Hα-helixtrans-66.8-30.2175.8-81.1-179.9170.8-160.7-3.7111.8R272 R273 A280R272-R276 WeakPolarHBondContact O-CD 3.37Å; R272-R276 VanDerWaalsContact O-CG 3.27Å; R272-R276 WeakPolarHBondContact O-CG 3.38Å; R273-R276 CarbonylContact O-C 3.54Å; R273-R276 WeakPolarHBondContact O-CA 3.48Å; R273-R276 WeakPolarHBondContact O-CB 3.4Å; R273-R276 PolarHBondContact O-N 3.2Å; R276-A280 WeakPolarHBondContact O-CB 3.38Å; R276-A280 PolarHBondContact O-N 2.95Å
277E63.2Low54.6Low109 Ų109133.6 Ų133.651%0.50959%0.593SS.*Hα-helixtrans-74.1-46.6173.5-73.1162.8129.200110.8R273 L274 L275 R279 A280 Q281R273-E277 PolarHBondContact O-N 3.23Å; L274-E277 PolarHBondContact O-N 3.48Å; L275-E277 VanDerWaalsContact C-N 3.25Å; L275-E277 PolarHBondContact O-N 3.17Å; E277-R279 PolarHBondContact O-N 3.09Å; E277-A280 CarbonylContact O-C 3.58Å; E277-A280 PolarHBondContact O-N 3.38Å; E277-Q281 WeakPolarHBondContact O-CG 3.38Å; E277-Q281 PolarHBondContact O-N 3.3Å
278R63.7Low53.9Low161 Ų161131 Ų13161%0.60859%0.587SS**Hα-helixtrans-55.9-53.2174.4-166.7178.8-174.1170.310.5111.8L274 L275 A280 Q281 E282L274-R278 PolarHBondContact O-N 3.36Å; L275-R278 PolarHBondContact O-N 3.12Å; R278-A280 PolarHBondContact O-N 3.41Å; R278-A280 VanDerWaalsContact O-N 3.12Å; R278-Q281 PolarHBondContact O-N 3.11Å; R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.19Å
279R61.3Low52.9Low123 Ų123135 Ų13546%0.46461%0.611SS.*Hα-helixtrans-68.1-5.6175.8-64.2-176.1-173.4-169.44.8114.7E259 L275 E277E259-R279 IonicContact OE2-CZ 2.64Å; E259-R279 IonicContact OE2-NE 3.18Å; E259-R279 IonicContact OE2-NH2 3.04Å; E259-R279 PolarHBondContact OE2-NH2 3.04Å; L275-R279 HydrophobicContact CG-CG 4.34Å; L275-R279 WeakPolarHBondContact O-CB 3.49Å; L275-R279 WeakPolarHBondContact O-CG 3.37Å; L275-R279 PolarHBondContact O-N 3.37Å; E277-R279 PolarHBondContact O-N 3.09Å
280A58.4Low52.1Low66 Ų66130.8 Ų130.855%0.54561%0.606SS.*Hα-helixtrans-103.3-24.317300000112.9R276 E277 R278R276-A280 WeakPolarHBondContact O-CB 3.38Å; R276-A280 PolarHBondContact O-N 2.95Å; E277-A280 CarbonylContact O-C 3.58Å; E277-A280 PolarHBondContact O-N 3.38Å; R278-A280 PolarHBondContact O-N 3.41Å; R278-A280 VanDerWaalsContact O-N 3.12Å
281Q55.5Low51.3Low159 Ų159125.8 Ų125.874%0.74359%0.59SS**Hα-helixtrans-75.8-36.3168.4-70.3175.1-7.300110.9E277 R278 K283E277-Q281 WeakPolarHBondContact O-CG 3.38Å; E277-Q281 PolarHBondContact O-N 3.3Å; R278-Q281 PolarHBondContact O-N 3.11Å; Q281-K283 PolarHBondContact O-N 2.76Å
282E52.5Low50.3Low83 Ų83127.3 Ų127.339%0.38859%0.593SS.*  trans-68.571.7172.3-74.8169.2-171.300112.4R278 F284R278-E282 IonicContact NE-OE1 2.8Å; R278-E282 WeakPolarHBondContact O-CB 3.49Å; R278-E282 WeakPolarHBondContact O-CG 3.43Å; R278-E282 PolarHBondContact O-N 3.19Å; E282-F284 HydrophobicContact CB-CD2 3.84Å; E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CG-CD2 4.47Å; E282-F284 HydrophobicContact CG-CE2 3.84Å; E282-F284 PolarHBondContact O-N 2.77Å
283K43.1Very low49.3Very low193 Ų193123.8 Ų123.884%0.83958%0.582SS**  trans-72.459.4171.3-67.2179.5-178.7170.50111.8Q281Q281-K283 PolarHBondContact O-N 2.76Å
284F39Very low48.4Very low160 Ų160119.5 Ų119.570%0.70257%0.572SS**  trans-61.3139.6178.6-77.8-69.1000112.1E282E282-F284 HydrophobicContact CB-CD2 3.84Å; E282-F284 HydrophobicContact CB-CE2 3.71Å; E282-F284 HydrophobicContact CG-CD2 4.47Å; E282-F284 HydrophobicContact CG-CE2 3.84Å; E282-F284 PolarHBondContact O-N 2.77Å
285P37.8Very low47.2Very low93 Ų93118 Ų11860%0.60456%0.564SS**  trans-71.1151.5177.931.4-35.5000111L287P285-L287 HydrophobicContact CB-CD1 4.13Å; P285-L287 HydrophobicContact CB-CG 4.15Å; P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 PolarHBondContact O-N 2.95Å
286R40.1Very low46Very low239 Ų239122.1 Ų122.190%0.90259%0.586SS**SBendtrans-7736.9-176-60178.9177.7141.3-0.6113.8
287L37.7Very low45.1Very low145 Ų145115.2 Ų115.276%0.75958%0.577SS**  trans-100.77-165.3-66.2177.6000115.1P285P285-L287 HydrophobicContact CB-CD1 4.13Å; P285-L287 HydrophobicContact CB-CG 4.15Å; P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 PolarHBondContact O-N 2.95Å
288L35Very low44.1Very low134 Ų134115.6 Ų115.670%0.70258%0.579SS**  trans-115.397.1161.7-67.5176.2000108.6I292L288-I292 HydrophobicContact CD1-CD1 4.05Å
289T35.7Very low43.2Very low103 Ų103111.8 Ų111.863%0.63258%0.575SS**  trans-91.819.4173.159.20000112.8
290T39Very low42.8Very low100 Ų100107.5 Ų107.561%0.61356%0.561SS**SBendtrans-94.8129.3161.3-46.90000107.3I292T290-I292 PolarHBondContact O-N 2.87Å
291K42.5Very low42.9Very low112 Ų112107.7 Ų107.749%0.48756%0.558SS.*  trans-80.482.7-175.5-73-179.1-177.5161.10111.2G293 L294 L295 N296K291-G293 PolarHBondContact O-N 2.9Å; K291-L294 PolarHBondContact O-N 3.33Å; K291-L295 HydrophobicContact CD-CD1 3.81Å; K291-N296 PolarHBondContact NZ-OD1 3.4Å
292I39.1Very low43.3Very low90 Ų90105 Ų10546%0.46254%0.541SS..THydrogen-bonded Turntrans-37.6118.8174.3-55.7169.7000110.6L252 L288 T290 L294L252-I292 HydrophobicContact CD2-CG2 4.14Å; L288-I292 HydrophobicContact CD1-CD1 4.05Å; T290-I292 PolarHBondContact O-N 2.87Å; I292-L294 PolarHBondContact O-N 3.36Å
293G41.1Very low43.8Very low9 Ų9105.5 Ų105.59%0.09354%0.54CS..THydrogen-bonded Turntrans65.9-20.6174.200000118.1E249 K291E249-G293 PolarHBondContact OE2-N 3.5Å; K291-G293 PolarHBondContact O-N 2.9Å
294L43.1Very low44.8Very low84 Ų8499.3 Ų99.344%0.4452%0.518SS..  trans-144.590.2-170.7-66.6176.3000114.1K291 I292 N296 Q298K291-L294 PolarHBondContact O-N 3.33Å; I292-L294 PolarHBondContact O-N 3.36Å; L294-N296 PolarHBondContact O-N 2.99Å; L294-Q298 WeakPolarHBondContact CA-O 3.38Å
295L37.5Very low46.1Very low87 Ų8793 Ų9346%0.45549%0.493SS..BIsolated β-bridgetrans-75.392162.4-178.852.4000109.6K291 G297 Q298K291-L295 HydrophobicContact CD-CD1 3.81Å; L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 2.82Å; L295-Q298 PolarHBondContact N-O 2.82Å; L295-Q298 PolarHBondContact O-N 3.44Å
296N37.8Very low47.5Very low116 Ų11688.8 Ų88.862%0.6247%0.465SS*.THydrogen-bonded Turntrans68.121.2178.1-48.4-29.8000115.6K291 L294K291-N296 PolarHBondContact NZ-OD1 3.4Å; L294-N296 PolarHBondContact O-N 2.99Å
297G44.1Very low48.6Very low53 Ų5379.9 Ų79.955%0.54644%0.435SS..THydrogen-bonded Turntrans951.5-179.600000114.5L295L295-G297 VanDerWaalsContact C-N 3.33Å; L295-G297 PolarHBondContact O-N 2.82Å
298Q42.1Very low49.9Very low118 Ų11876.7 Ų76.755%0.55143%0.425SS*.BIsolated β-bridgetrans-92.9147.3165.5-66-82-8700109.5L294 L295L294-Q298 WeakPolarHBondContact CA-O 3.38Å; L295-Q298 PolarHBondContact N-O 2.82Å; L295-Q298 PolarHBondContact O-N 3.44Å
299P45.7Very low51.2Low81 Ų8172 Ų7253%0.52641%0.405SS..  trans-60.5151.6167.229.1-35000109.8L250 S301L250-P299 HydrophobicContact CD2-CB 4.48Å; P299-S301 PolarHBondContact O-N 2.92Å; P299-S301 VanDerWaalsContact O-N 3.11Å
300I52.8Low52.4Low32 Ų3267.4 Ų67.416%0.16438%0.377CS..  trans-71.3109.5173.8-53.1-177.7000107.7E249 R302 T304 V305E249-I300 VanDerWaalsContact OE2-CD1 3.3Å; E249-I300 WeakPolarHBondContact OE2-CD1 3.38Å; I300-R302 PolarHBondContact O-N 2.75Å; I300-T304 HydrophobicContact CG2-CG2 4.08Å; I300-V305 HydrophobicContact CG2-CG2 3.63Å
301S60.1Low53.2Low71 Ų7167 Ų6750%0.49738%0.379SS..  trans-55.6137.3171.7177.10000109.9P299 R303 T304P299-S301 PolarHBondContact O-N 2.92Å; P299-S301 VanDerWaalsContact O-N 3.11Å; S301-R303 PolarHBondContact O-N 2.91Å; S301-R303 VanDerWaalsContact O-N 3.14Å; S301-T304 WeakPolarHBondContact O-CB 3.5Å; S301-T304 PolarHBondContact O-N 3.5Å
302R63.3Low53.8Low103 Ų10365 Ų6539%0.38938%0.378SS..Hα-helixtrans-43.2-47.8174.3-86-178.7167.9176.81.3112.1E113 D243 L246 I300 T304 V305 Y306E113-R302 IonicContact OE1-NH1 2.69Å; E113-R302 PolarHBondContact OE1-NH1 3.37Å; D243-R302 IonicContact OD1-NE 3.24Å; L246-R302 HydrophobicContact CD1-CB 4.27Å; L246-R302 HydrophobicContact CD1-CG 3.73Å; L246-R302 HydrophobicContact CD2-CG 4.08Å; I300-R302 PolarHBondContact O-N 2.75Å; R302-T304 PolarHBondContact O-N 3.35Å; R302-T304 VanDerWaalsContact O-N 3.09Å; R302-V305 PolarHBondContact O-N 3.04Å; R302-Y306 HydrophobicContact CB-CD2 4.11Å; R302-Y306 HydrophobicContact CB-CE2 3.71Å; R302-Y306 WeakPolarHBondContact CD-OH 3.49Å; R302-Y306 HydrophobicContact CG-CE2 4.33Å; R302-Y306 WeakPolarHBondContact O-CB 3.18Å; R302-Y306 VanDerWaalsContact O-CG 3.27Å; R302-Y306 PolarHBondContact O-N 2.86Å
303R63.3Low54.3Low92 Ų9266.1 Ų66.135%0.34739%0.385SS..Hα-helixtrans-46.6-39.5174-177.1175.5170.9115.75.5113.6E106 S301 L307E106-R303 IonicContact OE1-CZ 2.62Å; E106-R303 IonicContact OE1-NH1 4Å; E106-R303 PolarHBondContact OE1-NH1 3.47Å; E106-R303 IonicContact OE1-NH2 3.68Å; E106-R303 PolarHBondContact OE1-NH2 2.81Å; E106-R303 IonicContact OE2-CZ 2.85Å; E106-R303 IonicContact OE2-NH1 3.81Å; E106-R303 PolarHBondContact OE2-NH1 3Å; E106-R303 IonicContact OE2-NH2 3.66Å; S301-R303 PolarHBondContact O-N 2.91Å; S301-R303 VanDerWaalsContact O-N 3.14Å; R303-L307 HydrophobicContact CG-CD1 3.75Å; R303-L307 HydrophobicContact CG-CG 4.19Å; R303-L307 WeakPolarHBondContact O-CB 3.01Å; R303-L307 WeakPolarHBondContact O-CG 3.32Å; R303-L307 PolarHBondContact O-N 3.28Å
304T65Low54.7Low63 Ų6371.2 Ų71.239%0.38742%0.42SS..Hα-helixtrans-70-40.4179.6-54.60000112.4I300 S301 R302 S308I300-T304 HydrophobicContact CG2-CG2 4.08Å; S301-T304 WeakPolarHBondContact O-CB 3.5Å; S301-T304 PolarHBondContact O-N 3.5Å; R302-T304 PolarHBondContact O-N 3.35Å; R302-T304 VanDerWaalsContact O-N 3.09Å; T304-S308 WeakPolarHBondContact O-CB 3.28Å; T304-S308 PolarHBondContact O-N 3.43Å; T304-S308 PolarHBondContact O-OG 3.21Å
305V64.6Low55.3Low29 Ų2968.1 Ų68.118%0.17641%0.408CS..Hα-helixtrans-70.7-48.4176.8-171.60000109.5A242 L246 I300 R302 L307 S308 A309A242-V305 HydrophobicContact CB-CG1 4.03Å; L246-V305 HydrophobicContact CB-CG2 4.43Å; L246-V305 HydrophobicContact CD1-CB 4.46Å; L246-V305 HydrophobicContact CD1-CG2 3.81Å; I300-V305 HydrophobicContact CG2-CG2 3.63Å; R302-V305 PolarHBondContact O-N 3.04Å; V305-L307 PolarHBondContact O-N 2.93Å; V305-S308 WeakPolarHBondContact O-CB 3.12Å; V305-S308 PolarHBondContact O-N 3.09Å; V305-S308 VanDerWaalsContact O-N 3.09Å; V305-A309 PolarHBondContact O-N 2.91Å
306Y67.5Low56.3Low4 Ų470 Ų702%0.01642%0.418CS..Hα-helixtrans-55-49.7175.7-68.6-15.5000113.1L109 Y112 E113 L239 A242 D243 R302 S308 A309 S310L109-Y306 HydrophobicContact CD1-CD2 4.08Å; L109-Y306 HydrophobicContact CD1-CG 4.27Å; L109-Y306 HydrophobicContact CD2-CD2 3.99Å; L109-Y306 HydrophobicContact CD2-CG 3.87Å; L109-Y306 HydrophobicContact CG-CD2 4.39Å; Y112-Y306 HydrophobicContact CE1-CE1 4.42Å; E113-Y306 HydrophobicContact CG-CE2 4.42Å; L239-Y306 HydrophobicContact CD2-CD1 3.84Å; L239-Y306 HydrophobicContact CD2-CE1 4.48Å; L239-Y306 HydrophobicContact CD2-CG 4.18Å; A242-Y306 HydrophobicContact CB-CD1 4.37Å; D243-Y306 WeakPolarHBondContact OD1-CE1 3.19Å; D243-Y306 PolarHBondContact OD1-OH 3.42Å; R302-Y306 HydrophobicContact CB-CD2 4.11Å; R302-Y306 HydrophobicContact CB-CE2 3.71Å; R302-Y306 WeakPolarHBondContact CD-OH 3.49Å; R302-Y306 HydrophobicContact CG-CE2 4.33Å; R302-Y306 WeakPolarHBondContact O-CB 3.18Å; R302-Y306 VanDerWaalsContact O-CG 3.27Å; R302-Y306 PolarHBondContact O-N 2.86Å; Y306-S308 VanDerWaalsContact C-N 3.28Å; Y306-S308 PolarHBondContact O-N 3.49Å; Y306-A309 PolarHBondContact O-N 2.9Å; Y306-S310 WeakPolarHBondContact O-CB 3.26Å; Y306-S310 PolarHBondContact O-N 2.96Å; Y306-S310 PolarHBondContact O-OG 2.62Å; Y306-S310 VanDerWaalsContact O-OG 3.06Å
307L64.4Low57.3Low52 Ų5267.6 Ų67.627%0.27240%0.401SS..Hα-helixtrans-63.3-33.5176.3-73.2173.4000112.4I105 R303 V305 S311I105-L307 HydrophobicContact CB-CD2 4.34Å; I105-L307 HydrophobicContact CG2-CD2 3.61Å; R303-L307 HydrophobicContact CG-CD1 3.75Å; R303-L307 HydrophobicContact CG-CG 4.19Å; R303-L307 WeakPolarHBondContact O-CB 3.01Å; R303-L307 WeakPolarHBondContact O-CG 3.32Å; R303-L307 PolarHBondContact O-N 3.28Å; V305-L307 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-N 3.31Å
308S64.7Low57.7Low78 Ų7869.7 Ų69.755%0.54541%0.405SS..Hα-helixtrans-67.1-44.5175.4-58.40000111.1T304 V305 Y306 S311T304-S308 WeakPolarHBondContact O-CB 3.28Å; T304-S308 PolarHBondContact O-N 3.43Å; T304-S308 PolarHBondContact O-OG 3.21Å; V305-S308 WeakPolarHBondContact O-CB 3.12Å; V305-S308 PolarHBondContact O-N 3.09Å; V305-S308 VanDerWaalsContact O-N 3.09Å; Y306-S308 VanDerWaalsContact C-N 3.28Å; Y306-S308 PolarHBondContact O-N 3.49Å; S308-S311 WeakPolarHBondContact O-CB 3.11Å; S308-S311 PolarHBondContact O-OG 3.41Å
309A62.1Low57.8Low34 Ų3468.3 Ų68.328%0.28141%0.408SS..Hα-helixtrans-67.8-36.7176.300000112.9R238 A242 V305 Y306 S311R238-A309 HydrophobicContact CG-CB 4.34Å; R238-A309 PolarHBondContact NH1-O 3.15Å; A242-A309 HydrophobicContact CB-CB 4.45Å; V305-A309 PolarHBondContact O-N 2.91Å; Y306-A309 PolarHBondContact O-N 2.9Å; A309-S311 PolarHBondContact O-N 2.85Å
310S60.6Low57.6Low8 Ų872.8 Ų72.86%0.05643%0.428CS..THydrogen-bonded Turntrans-78.82.4-178.8-63.20000113.9R238 Y306 S312R238-S310 VanDerWaalsContact NH1-CA 3.35Å; R238-S310 VanDerWaalsContact NH1-N 3.13Å; R238-S310 PolarHBondContact NH1-OG 2.97Å; R238-S310 PolarHBondContact NH2-OG 2.92Å; Y306-S310 WeakPolarHBondContact O-CB 3.26Å; Y306-S310 PolarHBondContact O-N 2.96Å; Y306-S310 PolarHBondContact O-OG 2.62Å; Y306-S310 VanDerWaalsContact O-OG 3.06Å; S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 VanDerWaalsContact O-N 3.17Å
311S56.2Low57Low92 Ų9276.2 Ų76.264%0.64345%0.45SS*.THydrogen-bonded Turntrans-71.2-3.5-177.664.20000115.5L307 S308 A309 D313L307-S311 PolarHBondContact O-N 3.31Å; S308-S311 WeakPolarHBondContact O-CB 3.11Å; S308-S311 PolarHBondContact O-OG 3.41Å; A309-S311 PolarHBondContact O-N 2.85Å; S311-D313 PolarHBondContact O-N 3.45Å
312S55.4Low56Low68 Ų6879.7 Ų79.748%0.47646%0.463SS..  trans-93.573.9167.7-710000110.7S310 S314S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 VanDerWaalsContact O-N 3.17Å; S312-S314 PolarHBondContact O-N 3.39Å
313D48.2Very low54.6Low115 Ų11583.1 Ų83.162%0.61549%0.489SS*.  trans-71.698.1173.3-170.125.5000110.1S311S311-D313 PolarHBondContact O-N 3.45Å
314S51.1Low53.4Low116 Ų11686.8 Ų86.881%0.81151%0.51SS*.  trans-158.634.7179.176.60000113.1S312S312-S314 PolarHBondContact O-N 3.39Å
315G54.1Low51.9Low18 Ų1890.7 Ų90.719%0.18653%0.529CS..  trans-163.4105.6-179.500000109.7R108R108-G315 PolarHBondContact NH1-O 3Å
316D59.3Low50.6Low126 Ų12697.8 Ų97.867%0.67456%0.557SS**PPolyproline II helixtrans-66.4163.5164.8-69-65.6000109.9H232H232-D316 PolarHBondContact CD2-O 3.43Å
317Y59.4Low49.3Very low66 Ų66102.6 Ų102.626%0.25959%0.592SS.*PPolyproline II helixtrans-80.5154.1175.8-90.6-127.1000110.1R108 G230 H232 D235 S319R108-Y317 HydrophobicContact CG-CD2 4.49Å; R108-Y317 HydrophobicContact CG-CE2 3.58Å; G230-Y317 WeakPolarHBondContact O-CE1 3.36Å; H232-Y317 HydrophobicContact CB-CD2 4.17Å; H232-Y317 HydrophobicContact CB-CE2 3.53Å; H232-Y317 PolarHBondContact N-OH 2.83Å; D235-Y317 PolarHBondContact OD2-OH 2.9Å; Y317-S319 PolarHBondContact O-N 3.26Å; Y317-S319 VanDerWaalsContact O-N 3.16Å
318P52Low47.9Very low98 Ų98103.1 Ų103.164%0.63661%0.61SS**PPolyproline II helixtrans-53.4121.9158.6-17.631.1000107.9
319S43.9Very low46.8Very low89 Ų89106.1 Ų106.162%0.62262%0.618SS**PPolyproline II helixtrans-76.9138.6171.347.70000109.2Y317 V321Y317-S319 PolarHBondContact O-N 3.26Å; Y317-S319 VanDerWaalsContact O-N 3.16Å; S319-V321 PolarHBondContact O-N 2.98Å; S319-V321 WeakPolarHBondContact OG-CG2 3.46Å
320D40.8Very low45.8Very low175 Ų175109.6 Ų109.694%0.93664%0.635SS**SBendtrans-69.373.5174-69.4-48.7000111.3
321V40.9Very low44.7Very low103 Ų103120 Ų12062%0.62468%0.675SS**  trans-143.8112.3170.1-82.10000110.4S319S319-V321 PolarHBondContact O-N 2.98Å; S319-V321 WeakPolarHBondContact OG-CG2 3.46Å
322D38.6Very low43.5Very low145 Ų145119 Ų11978%0.77568%0.679SS**  trans62.1124.9162.3-54.8-46.4000119.9Q324D322-Q324 PolarHBondContact O-N 2.93Å
323D35.4Very low42.6Very low174 Ų174120.8 Ų120.893%0.9369%0.691SS**  trans-67.687.9173.3-67.4-77000112.7
324Q36.3Very low42.5Very low169 Ų169119.7 Ų119.779%0.7969%0.691SS**  trans-134110.6165.5-66.2-168.920.500113.4D322 F326D322-Q324 PolarHBondContact O-N 2.93Å; Q324-F326 PolarHBondContact O-N 2.91Å
325D34.7Very low42.8Very low145 Ų145118.6 Ų118.678%0.77568%0.679SS**  trans4861.4150.7-61.5-18.2000118.7S327D325-S327 PolarHBondContact O-N 3.11Å
326F38Very low42.9Very low178 Ų178122.4 Ų122.478%0.78170%0.703SS**THydrogen-bonded Turntrans-7162.5164.5-165-98.5000112.7Q324 I329Q324-F326 PolarHBondContact O-N 2.91Å; F326-I329 HydrophobicContact CE2-CD1 4.11Å
327S40.2Very low42.6Very low105 Ų105124 Ų12473%0.73470%0.704SS**THydrogen-bonded Turntrans-121.6-20.6176.165.20000113.5D325D325-S327 PolarHBondContact O-N 3.11Å
328G34.3Very low42.2Very low63 Ų63123.1 Ų123.165%0.64971%0.711SS**SBendtrans-94.4-2-16600000118.7
329I41.9Very low42.4Very low141 Ų141120.6 Ų120.672%0.72370%0.698SS**SBendtrans-92.8-8.9-170.4-63-180000113.5F326F326-I329 HydrophobicContact CE2-CD1 4.11Å
330V41.3Very low43.2Very low107 Ų107119.6 Ų119.665%0.64869%0.688SS**SBendtrans-90.2149.3166.5-170.50000109
331Y36.4Very low44.1Very low228 Ų228115.4 Ų115.489%0.89467%0.665SS**  trans78.715.2-176.2-54.4-78.9000117.8S333Y331-S333 PolarHBondContact O-N 3.25Å; Y331-S333 VanDerWaalsContact O-N 3.13Å
332G32.1Very low44.8Very low70 Ų70120.3 Ų120.372%0.72267%0.672SS**  trans-65.9106.3159.800000112
333S36.4Very low46Very low105 Ų105115.7 Ų115.773%0.73465%0.654SS**  trans-56.8133.8176.9-175.50000111.2Y331 T335Y331-S333 PolarHBondContact O-N 3.25Å; Y331-S333 VanDerWaalsContact O-N 3.13Å; S333-T335 PolarHBondContact O-N 3.45Å
334P45.4Very low47Very low93 Ų93113.4 Ų113.460%0.60464%0.638SS**  trans-67.3107.2-172.227-34.6000110.6
335T57Low47.7Very low93 Ų93113.7 Ų113.757%0.57163%0.632SS**  trans-49.9144.9175.265.40000110.5S333 K337 A338 A339S333-T335 PolarHBondContact O-N 3.45Å; T335-K337 PolarHBondContact O-N 3.39Å; T335-A338 WeakPolarHBondContact O-CA 3.33Å; T335-A338 PolarHBondContact O-N 3.04Å; T335-A338 PolarHBondContact OG1-N 3.1Å; T335-A339 PolarHBondContact O-N 3.07Å
336S56.2Low48.7Very low98 Ų98111 Ų11169%0.68563%0.63SS**Hα-helixtrans-52.6-32.1-175.959.70000112.9T340S336-T340 WeakPolarHBondContact O-CB 3.47Å; S336-T340 PolarHBondContact O-N 2.85Å; S336-T340 PolarHBondContact O-OG1 2.98Å
337K54.1Low49.1Very low158 Ų158113 Ų11369%0.68763%0.632SS**Hα-helixtrans-64.8-47.1173.3-159.7172.5-175.2179.10112.8T335 T340 I341T335-K337 PolarHBondContact O-N 3.39Å; K337-T340 PolarHBondContact O-N 2.94Å; K337-I341 HydrophobicContact CG-CD1 4.41Å; K337-I341 WeakPolarHBondContact O-CD1 3.45Å; K337-I341 VanDerWaalsContact O-CG1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 2.8Å
338A49.2Very low48.8Very low49 Ų49111.1 Ų111.141%0.40562%0.623SS.*Hα-helixtrans-66.4-43.2176.400000111.9T335 T340 I341 R342T335-A338 WeakPolarHBondContact O-CA 3.33Å; T335-A338 PolarHBondContact O-N 3.04Å; T335-A338 PolarHBondContact OG1-N 3.1Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.37Å; A338-I341 PolarHBondContact O-N 3.38Å; A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 2.9Å
339A58.1Low48.9Very low44 Ų44116.7 Ų116.736%0.36463%0.63SS.*Hα-helixtrans-60.5-42.7173.900000111.8T335 R342 A343T335-A339 PolarHBondContact O-N 3.07Å; A339-R342 PolarHBondContact O-N 3.47Å; A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.83Å
340T60.2Low48.7Very low69 Ų69115.3 Ų115.342%0.42363%0.63SS.*Hα-helixtrans-62.5-45.2176-63.70000111.9S336 K337 A338 R342 A343 Q344S336-T340 WeakPolarHBondContact O-CB 3.47Å; S336-T340 PolarHBondContact O-N 2.85Å; S336-T340 PolarHBondContact O-OG1 2.98Å; K337-T340 PolarHBondContact O-N 2.94Å; A338-T340 VanDerWaalsContact C-N 3.34Å; A338-T340 PolarHBondContact O-N 3.37Å; T340-R342 VanDerWaalsContact C-N 3.33Å; T340-R342 PolarHBondContact O-N 2.99Å; T340-A343 PolarHBondContact O-N 3.49Å; T340-Q344 HydrophobicContact CG2-CG 4.35Å; T340-Q344 WeakPolarHBondContact O-CB 3.43Å; T340-Q344 VanDerWaalsContact O-CG 3.27Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 2.92Å
341I58.9Low48.1Very low86 Ų86116.7 Ų116.744%0.44163%0.632SS.*Hα-helixtrans-63.4-40177.5-68.8162.8000110.9K337 A338 Q344 R345K337-I341 HydrophobicContact CG-CD1 4.41Å; K337-I341 WeakPolarHBondContact O-CD1 3.45Å; K337-I341 VanDerWaalsContact O-CG1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.35Å; K337-I341 PolarHBondContact O-N 2.8Å; A338-I341 PolarHBondContact O-N 3.38Å; I341-Q344 PolarHBondContact O-N 3.36Å; I341-R345 PolarHBondContact O-N 2.86Å
342R56.8Low47.9Very low206 Ų206112 Ų11278%0.77762%0.621SS**Hα-helixtrans-65.2-42.4176-158.9174.3-167.6165.13.8111.6A338 A339 T340 R345 A346A338-R342 WeakPolarHBondContact O-CB 3.44Å; A338-R342 PolarHBondContact O-N 2.9Å; A339-R342 PolarHBondContact O-N 3.47Å; T340-R342 VanDerWaalsContact C-N 3.33Å; T340-R342 PolarHBondContact O-N 2.99Å; R342-R345 PolarHBondContact O-N 3.41Å; R342-A346 WeakPolarHBondContact O-CB 3.29Å; R342-A346 PolarHBondContact O-N 3.26Å
343A63.7Low47.8Very low49 Ų49112 Ų11241%0.40561%0.611SS.*Hα-helixtrans-66.8-36.2175.100000112.9A339 T340 A346 R347A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.83Å; T340-A343 PolarHBondContact O-N 3.49Å; A343-A346 PolarHBondContact O-N 2.85Å; A343-R347 WeakPolarHBondContact O-CB 3.48Å; A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.27Å
344Q56.8Low47.4Very low126 Ų126114.9 Ų114.959%0.58962%0.618SS**Hα-helixtrans-66-46.1173.4-75.3174.50.800111.4T340 I341 A346 R347 A348T340-Q344 HydrophobicContact CG2-CG 4.35Å; T340-Q344 WeakPolarHBondContact O-CB 3.43Å; T340-Q344 VanDerWaalsContact O-CG 3.27Å; T340-Q344 WeakPolarHBondContact O-CG 3.31Å; T340-Q344 PolarHBondContact O-N 2.92Å; I341-Q344 PolarHBondContact O-N 3.36Å; Q344-A346 PolarHBondContact O-N 2.73Å; Q344-R347 PolarHBondContact O-N 3.33Å; Q344-A348 WeakPolarHBondContact O-CB 3.45Å; Q344-A348 PolarHBondContact O-N 3.44Å
345R51Low46.9Very low175 Ų175115.6 Ų115.666%0.6663%0.631SS**Hα-helixtrans-59.5-43172.7-77.6-171.7175.2-161.9-0.3111.8I341 R342 R347 A348I341-R345 PolarHBondContact O-N 2.86Å; R342-R345 PolarHBondContact O-N 3.41Å; R345-R347 PolarHBondContact O-N 2.73Å; R345-A348 PolarHBondContact O-N 2.76Å
346A54.3Low45.7Very low88 Ų88123.5 Ų123.573%0.72765%0.651SS**Hα-helixtrans-69-30.2179.400000114R342 A343 Q344R342-A346 WeakPolarHBondContact O-CB 3.29Å; R342-A346 PolarHBondContact O-N 3.26Å; A343-A346 PolarHBondContact O-N 2.85Å; Q344-A346 PolarHBondContact O-N 2.73Å
347R45.8Very low44.9Very low219 Ų219122 Ų12283%0.82665%0.651SS**Hα-helixtrans-84.9-14.9175.8-71.4179.3176-157.1-1.1113.4A343 Q344 R345 K349A343-R347 WeakPolarHBondContact O-CB 3.48Å; A343-R347 WeakPolarHBondContact O-CG 3.42Å; A343-R347 PolarHBondContact O-N 3.27Å; Q344-R347 PolarHBondContact O-N 3.33Å; R345-R347 PolarHBondContact O-N 2.73Å; R347-K349 PolarHBondContact O-N 3.42Å
348A35.7Very low44Very low67 Ų67120.9 Ų120.955%0.55466%0.659SS**  trans-74.184177.200000111.7Q344 R345Q344-A348 WeakPolarHBondContact O-CB 3.45Å; Q344-A348 PolarHBondContact O-N 3.44Å; R345-A348 PolarHBondContact O-N 2.76Å
349K35.6Very low43.3Very low180 Ų180123 Ų12378%0.78368%0.677SS**  trans-50135.8161.3-65.6-179.8-179.2178.20108.5R347 I351R347-K349 PolarHBondContact O-N 3.42Å; K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 2.87Å
350P36.8Very low42.3Very low111 Ų111127.7 Ų127.772%0.72169%0.694SS**  trans-71.584.3-175.228.4-35.3000111.3L352P350-L352 HydrophobicContact CB-CG 4.33Å; P350-L352 PolarHBondContact O-N 3.19Å
351I29.6Very low41Very low136 Ų136131.3 Ų131.370%0.69771%0.711SS**  trans-74.583.7170-58.6176.7000107K349 S353K349-I351 VanDerWaalsContact C-N 3.31Å; K349-I351 PolarHBondContact O-N 2.87Å; I351-S353 PolarHBondContact O-N 2.9Å
352L31.3Very low40.1Very low129 Ų129132.3 Ų132.368%0.67572%0.715SS**  trans-75.855.2177.6-65.7171.7000111.2P350P350-L352 HydrophobicContact CB-CG 4.33Å; P350-L352 PolarHBondContact O-N 3.19Å
353S30.6Very low39Very low71 Ų71125.6 Ų125.650%0.49771%0.71SS.*SBendtrans-154134.4169.260.10000110.4I351I351-S353 PolarHBondContact O-N 2.9Å
354N29.1Very low37.7Very low166 Ų166127.3 Ų127.389%0.88873%0.733SS**  trans71.553.6168.9-43.7-30000117.4
355A34.8Very low36.8Very low107 Ų107128.4 Ų128.488%0.88474%0.74SS**  trans-101.7137.7155.700000110.2
356R31Very low35.9Very low260 Ų260124.4 Ų124.498%0.98174%0.735SS**  trans-126.688.7-171.1-178.7178.9176.7173.9-3110
357G39Very low35Very low66 Ų66125.3 Ų125.368%0.6874%0.736SS**  trans-139164.5177.300000111.8A359G357-A359 PolarHBondContact O-N 3.3Å
358P36.3Very low34.3Very low134 Ų134122 Ų12287%0.8773%0.733SS**PPolyproline II helixtrans-72.8123.7-177.629.6-33.5000111.2
359A33.7Very low34.3Very low93 Ų93123.3 Ų123.377%0.76974%0.738SS**PPolyproline II helixtrans-85.3117.9169.800000109.4G357G357-A359 PolarHBondContact O-N 3.3Å
360I37.7Very low34.2Very low143 Ų143122.4 Ų122.473%0.73374%0.741SS**PPolyproline II helixtrans-69130.6173.9-60.6175.9000108.5
361L32.1Very low34.1Very low146 Ų146122.4 Ų122.476%0.76474%0.742SS**PPolyproline II helixtrans-85.8120.3-179.8-66.9172.6000110.2
362I40.3Very low34.4Very low106 Ų106127.3 Ų127.354%0.54475%0.752SS.*  trans-120.1126.5169.9-58.3178.5000107.7T102T102-I362 HydrophobicContact CG2-CD1 3.8Å
363G34.8Very low34.5Very low65 Ų65132.7 Ų132.767%0.6776%0.763SS**SBendtrans74.250.1168.500000117.3M365G363-M365 WeakPolarHBondContact O-CG 3.44Å; G363-M365 PolarHBondContact O-N 3.36Å
364G36.6Very low34.5Very low85 Ų85136.9 Ų136.988%0.87678%0.781SS**SBendtrans65.8-3.5156.100000119.6
365M36.6Very low34.9Very low149 Ų149135.9 Ų135.973%0.73478%0.775SS**  trans-87.2115.2-171.8-69.5-17975.300113.5G363 S367G363-M365 WeakPolarHBondContact O-CG 3.44Å; G363-M365 PolarHBondContact O-N 3.36Å; M365-S367 PolarHBondContact O-N 2.97Å
366T32.6Very low34.9Very low92 Ų92140.2 Ų140.256%0.56477%0.774SS**  trans-73.1120175.150.80000112.5
367S34.4Very low35.4Very low107 Ų107136.5 Ų136.575%0.74877%0.768SS**  trans-78.6117.6174.251.90000112M365 S369M365-S367 PolarHBondContact O-N 2.97Å; S367-S369 PolarHBondContact O-N 3.43Å
368I32.4Very low35.1Very low149 Ų149139.4 Ų139.476%0.76478%0.778SS**  trans-85.690.6173.6-56.9178.6000109L370I368-L370 PolarHBondContact O-N 2.62Å
369S35.2Very low35.2Very low95 Ų95136.5 Ų136.566%0.66477%0.772SS**  trans-70106171.156.50000110.5S367 C371S367-S369 PolarHBondContact O-N 3.43Å; S369-C371 PolarHBondContact O-N 3.35Å
370L34.3Very low35.5Very low161 Ų161141.3 Ų141.384%0.84378%0.778SS**  trans-72.685.7176.7-77.3171.6000111.5I368 R372I368-L370 PolarHBondContact O-N 2.62Å; L370-R372 PolarHBondContact O-N 2.87Å; L370-R372 VanDerWaalsContact O-N 3.14Å
371C33.1Very low35.2Very low110 Ų110139.7 Ų139.774%0.74378%0.779SS**PPolyproline II helixtrans-54.8116.5174-59.30000111.2S369 R373S369-C371 PolarHBondContact O-N 3.35Å; C371-R373 PolarHBondContact O-N 3.31Å
372R36.7Very low35.7Very low239 Ų239141.2 Ų141.290%0.90279%0.786SS**PPolyproline II helixtrans-62.6120.8166.8-83.6-171.3171.4-140.21.2108.8L370 N374L370-R372 PolarHBondContact O-N 2.87Å; L370-R372 VanDerWaalsContact O-N 3.14Å; R372-N374 PolarHBondContact O-N 3.08Å
373R33.5Very low35.5Very low242 Ų242141.3 Ų141.391%0.91380%0.797SS**PPolyproline II helixtrans-68.6116.3168.6-70.3-179.5179153.20.6109C371 N375C371-R373 PolarHBondContact O-N 3.31Å; R373-N375 PolarHBondContact O-N 3.18Å
374N31.5Very low35.8Very low160 Ų160144 Ų14486%0.85681%0.806SS**  trans-64.5105163.9-79.5-9.6000108.6R372R372-N374 PolarHBondContact O-N 3.08Å
375N35.9Very low36Very low144 Ų144149.5 Ų149.577%0.7781%0.805SS**  trans-86.3121.8169.1-168.235.9000108.6R373 Q377R373-N375 PolarHBondContact O-N 3.18Å; N375-Q377 PolarHBondContact O-N 3.12Å
376K34.9Very low36.3Very low199 Ų199146.3 Ų146.387%0.86581%0.81SS**  trans-70.4121.7-178.4-61.3179.4-179.4-177.70109.9
377Q41.6Very low36.6Very low181 Ų181153.2 Ų153.285%0.84683%0.826SS**  trans-135.7134.7156.1-73.3-164.9-27.600109.6N375N375-Q377 PolarHBondContact O-N 3.12Å
378S33.8Very low36.9Very low127 Ų127153 Ų15389%0.88883%0.825SS**  trans-77.6140.5176.845.90000111.1
379G38.8Very low37.5Very low73 Ų73155.1 Ų155.175%0.75383%0.828SS**  trans-169.3124.5174.700000111.1
380H38.2Very low37.9Very low195 Ų195156.1 Ų156.190%0.90384%0.835SS**  trans-50.8147.6-165.9-74.9-93.7000117.7
381S33Very low38.3Very low108 Ų108151.8 Ų151.876%0.75583%0.829SS**  trans-76.9144.9163.453.40000112.7
382I40.8Very low38.7Very low178 Ų178158 Ų15891%0.91384%0.837SS**  trans-128.7151.3150.251.4172.7000108.6
383S36.8Very low39Very low109 Ų109152.4 Ų152.476%0.76283%0.829SS**  trans-133.7151.9-167.767.80000113.2
384S41.4Very low39.4Very low122 Ų122145.8 Ų145.885%0.85382%0.82SS**  trans-135.1151.815354.90000109.7
385K39.9Very low39.9Very low199 Ų199143.2 Ų143.287%0.86582%0.815SS**  trans-119.8140.8-173.8-69174178.8169.60110.6
386G42.8Very low40.2Very low82 Ų82141.2 Ų141.285%0.84581%0.812SS**  trans-116.6146.2157.200000109.4
387R39.2Very low40.5Very low238 Ų238137.2 Ų137.290%0.89881%0.809SS**  trans-153130-161.8-176.8-170-176.6-152.14114.2
388S41.8Very low40.5Very low103 Ų103132.1 Ų132.172%0.7281%0.805SS**  trans-169.9121.9153.1-88.80000108.5
389K43.9Very low40.8Very low193 Ų193134.7 Ų134.784%0.83980%0.803SS**  80.2137.884.7-79.8-174.7174.1-176.90113.1
390S44.5Very low40.8Very low116 Ų116135.6 Ų135.681%0.81180%0.798SS**  cis-176.4142.6-20.141.60000112.1
391G42.3Very low41Very low69 Ų69132.4 Ų132.471%0.71179%0.786SS**  trans152.8110.416800000109.7
392R41.9Very low41.3Very low242 Ų242138.1 Ų138.191%0.91379%0.791SS**  71.212863.8-71.1-169166.4-171.3-4.9112.2
393T42Very low41Very low120 Ų120132.4 Ų132.474%0.73678%0.777SS**  cis-152.5159.115.7-12.20000114
394S41.6Very low41.2Very low103 Ų103134.6 Ų134.672%0.7278%0.775SS**  trans8.5147.7153.651.40000121.7
395S42.3Very low41.2Very low107 Ų107138.5 Ų138.575%0.74877%0.771SS**  cis-159.3-149.7-6.141.10000107.4
396S43.5Very low41.1Very low102 Ų102133.7 Ų133.771%0.71376%0.762SS**  cis-166.3-170.62.7-9.50000106.6
397S41.3Very low41Very low115 Ų115135.6 Ų135.680%0.80476%0.762SS**  -170.9138.1-57.652.30000108.6
398G39.8Very low41Very low73 Ų73128.7 Ų128.775%0.75375%0.751SS**  trans94.7152.9178.800000114.7
399E40.5Very low40.9Very low181 Ų181129 Ų12985%0.84675%0.752SS**  cis-162.1121.2-14.2-148.5156.3130.300107
400S38.4Very low40.8Very low92 Ų92125.1 Ų125.164%0.64374%0.741SS**  89.8144.264.3116.60000116.1
401I43.5Very low40.5Very low129 Ų129129.8 Ų129.866%0.66274%0.741SS**  trans85.6114.1160.1-69.7165.4000121.4
402R39.1Very low40.2Very low227 Ų227131.7 Ų131.786%0.85774%0.743SS**  trans39.8152.4132.2-48.1172.8-170.2158.42120.7
403G35.3Very low40.1Very low59 Ų59130 Ų13061%0.60874%0.739SS**  cis156.7-173.33.100000111.6
404H41.3Very low39.9Very low155 Ų155128 Ų12872%0.71873%0.729SS**  trans72.4159176.3-55.2-51.2000116.2
405R39.5Very low39.8Very low204 Ų204130.1 Ų130.177%0.7773%0.725SS**  cis-165.6164.7-16.7-100.1162.3-153.8-116.88.9104.6
406S39.6Very low39.6Very low97 Ų97136.2 Ų136.268%0.67873%0.732SS**  cis166.4138-19.5-83.50000107.2
407S39.5Very low39.3Very low123 Ų123134.4 Ų134.486%0.8673%0.73SS**  trans72167.2158.189.50000118.4
408S38.8Very low39.1Very low93 Ų93134.6 Ų134.665%0.6573%0.731SS**  cis-156.7165.1-0.476.80000113.4
409S41.5Very low38.9Very low108 Ų108143 Ų14376%0.75574%0.74SS**  trans66.6155.9159.482.80000117.1
410D40Very low38.8Very low113 Ų113140.5 Ų140.560%0.60474%0.742SS**  cis-163-178.4-4.4-135.4-23.9000108
411R38Very low38.9Very low213 Ų213139 Ų13980%0.80474%0.742SS**  cis-147.8169.9-6.1-165162-76.5-176.81.1109.4
412S36.7Very low38.5Very low110 Ų110142.2 Ų142.277%0.76975%0.751SS**  trans-108.3154.9-171.2-58.90000115.4
413Y39.9Very low38.4Very low207 Ų207142.2 Ų142.281%0.81275%0.751SS**  trans-152.5164.4134.7-139.3-99.1000115.2
414S37.5Very low38.6Very low77 Ų77150.4 Ų150.454%0.53876%0.764SS.*  trans-99.8179.1-170.364.60000112.6
415K40.2Very low38.7Very low147 Ų147148.5 Ų148.564%0.63977%0.765SS**  -177.8140.352.9-135.5158-1711700112.9
416R38.3Very low38.6Very low236 Ų236147.6 Ų147.689%0.89177%0.767SS**  trans61.4153.1152.9-68168.8-179.3-161.5-2119.5
417G36.4Very low38.4Very low64 Ų64151.6 Ų151.666%0.6678%0.775SS**  cis175.5170-600000114.5
418S38.6Very low38.1Very low118 Ų118151.3 Ų151.383%0.82577%0.773SS**  trans69.8123.3178.8-56.20000115.7
419R35.6Very low38Very low250 Ų250156.5 Ų156.594%0.94378%0.778SS**  cis61.2128.747.9-61.4-176.7167.9-173.2-4112
420S38.3Very low37.6Very low128 Ų128156.2 Ų156.290%0.89577%0.771SS**  cis-148.6-178.3562.20000109
421G39.1Very low37.5Very low62 Ų62156.8 Ų156.864%0.63977%0.77SS**  cis176.1156.7-5.300000113.5
422F34.8Very low37.1Very low195 Ų195156.2 Ų156.286%0.85577%0.77SS**  trans68.5139.7155.9-81.6-78.3000124.9
423R37.3Very low37Very low227 Ų227157.9 Ų157.986%0.85777%0.769SS**  trans74.198.5155.7-66.7169.1-162.2-108.70.9119.4
424R39.9Very low36.7Very low231 Ų231153.3 Ų153.387%0.87276%0.762SS**  trans-67.5157.1154.2-65.9-179.6172.4-162.9-1.7111.4
425P44Very low36.8Very low116 Ų116155.1 Ų155.175%0.75377%0.77SS**  -105.1161.8127.1-16.633.3000113.6
426K36.7Very low36.7Very low184 Ų184154.3 Ų154.380%0.877%0.767SS**  trans-100.2118.4173.7-58.2170.2-175.6171.40109.5
427H36.4Very low36.6Very low182 Ų182146.2 Ų146.284%0.84376%0.757SS**  trans-142.7114.5159-74.1-67.8000110.9R429H427-R429 PolarHBondContact O-N 2.9Å
428S31.9Very low36.7Very low117 Ų117150.6 Ų150.682%0.81877%0.765SS**  trans-78.5100.5169.650.20000109.4V430S428-V430 PolarHBondContact O-N 2.92Å; S428-V430 VanDerWaalsContact O-N 3.15Å
429R38.1Very low36.6Very low201 Ų201151.4 Ų151.476%0.75876%0.76SS**  trans-77.5100.6176.8-167.9165.7114.5131.6-3.3109.9H427 E431H427-R429 PolarHBondContact O-N 2.9Å; R429-E431 HydrophobicContact CG-CG 4.11Å; R429-E431 IonicContact CZ-OE1 3.12Å; R429-E431 IonicContact NE-OE1 2.75Å; R429-E431 PolarHBondContact NE-OE1 3.29Å; R429-E431 IonicContact NH2-OE1 2.67Å; R429-E431 PolarHBondContact NH2-OE1 3.48Å; R429-E431 PolarHBondContact O-N 3.13Å
430V31.2Very low36.9Very low103 Ų103148.2 Ų148.262%0.62476%0.756SS**  trans-70.8111.3164.2176.80000107.2S428 Y432S428-V430 PolarHBondContact O-N 2.92Å; S428-V430 VanDerWaalsContact O-N 3.15Å; V430-Y432 HydrophobicContact CG1-CD2 4.49Å; V430-Y432 HydrophobicContact CG1-CE2 4.22Å; V430-Y432 PolarHBondContact O-N 3.5Å
431E39.6Very low37Very low125 Ų125149.1 Ų149.158%0.58475%0.751SS**  trans-87.6107.6177.2-59.9-160.1158.400109.5R429 I433R429-E431 HydrophobicContact CG-CG 4.11Å; R429-E431 IonicContact CZ-OE1 3.12Å; R429-E431 IonicContact NE-OE1 2.75Å; R429-E431 PolarHBondContact NE-OE1 3.29Å; R429-E431 IonicContact NH2-OE1 2.67Å; R429-E431 PolarHBondContact NH2-OE1 3.48Å; R429-E431 PolarHBondContact O-N 3.13Å; E431-I433 PolarHBondContact O-N 3.38Å; E431-I433 VanDerWaalsContact O-N 3.1Å
432Y29Very low36.7Very low200 Ų200154.1 Ų154.178%0.78476%0.763SS**  trans-72.499172.9-69.3-93.4000109V430 T434V430-Y432 HydrophobicContact CG1-CD2 4.49Å; V430-Y432 HydrophobicContact CG1-CE2 4.22Å; V430-Y432 PolarHBondContact O-N 3.5Å; Y432-T434 VanDerWaalsContact C-N 3.33Å; Y432-T434 PolarHBondContact O-N 2.92Å
433I35Very low36.9Very low146 Ų146149.4 Ų149.475%0.74976%0.76SS**  trans-72.991.8170.9-59.6177.9000107.9E431 T435E431-I433 PolarHBondContact O-N 3.38Å; E431-I433 VanDerWaalsContact O-N 3.1Å; I433-T435 HydrophobicContact CG2-CG2 3.85Å; I433-T435 PolarHBondContact O-N 3.3Å
434T32.5Very low36.8Very low110 Ų110146.3 Ų146.368%0.67576%0.76SS**  trans-87.693.6167.3-56.80000108.6Y432 F436Y432-T434 VanDerWaalsContact C-N 3.33Å; Y432-T434 PolarHBondContact O-N 2.92Å; T434-F436 HydrophobicContact CG2-CD2 4.05Å; T434-F436 HydrophobicContact CG2-CE2 3.86Å
435T39.6Very low36.9Very low115 Ų115141.3 Ų141.371%0.70675%0.751SS**  trans-102.2109.9166.343.50000108.9I433I433-T435 HydrophobicContact CG2-CG2 3.85Å; I433-T435 PolarHBondContact O-N 3.3Å
436F38.3Very low36.5Very low131 Ų131144.9 Ų144.958%0.57576%0.755SS**  trans-75.5145.1148.5-71.5-98.3000106.8K260 T434K260-F436 HydrophobicContact CB-CE1 3.97Å; K260-F436 HydrophobicContact CB-CZ 4.14Å; K260-F436 HydrophobicContact CD-CE1 3.79Å; K260-F436 HydrophobicContact CD-CZ 4.1Å; K260-F436 HydrophobicContact CG-CE1 4.32Å; K260-F436 HydrophobicContact CG-CZ 4.33Å; T434-F436 HydrophobicContact CG2-CD2 4.05Å; T434-F436 HydrophobicContact CG2-CE2 3.86Å
437G35.7Very low36.4Very low66 Ų66146 Ų14668%0.6875%0.754SS**  trans-88.2160179.500000112.2
438D39.7Very low36.1Very low156 Ų156144.9 Ų144.983%0.83475%0.754SS**  trans-120.8122.9150-67.7-57.3000105.1
439N35.5Very low36.3Very low135 Ų135146.8 Ų146.872%0.72276%0.755SS**  trans-102.9132.9169.1-62.8-45.6000107.5
440E41.6Very low35.9Very low183 Ų183144.5 Ų144.586%0.85576%0.758SS**  trans-140.1107.9147.2-74-167.9162.800108.3
441D40.8Very low36Very low147 Ų147143.3 Ų143.379%0.78677%0.767SS**  64.4125.8130-50.7-19.8000122.3
442N34.1Very low35.6Very low167 Ų167142.1 Ų142.189%0.89377%0.772SS**  trans-65.6147.5148.3-68-66.6000109.3
443A38.1Very low35.7Very low96 Ų96137.3 Ų137.379%0.79377%0.768SS**  trans-132.6133.3154.300000108
444D36.3Very low35.6Very low161 Ų161140.6 Ų140.686%0.86177%0.771SS**  trans-62.3144.5175.9-55.7-95.4000111.4
445D40.2Very low35.7Very low126 Ų126143 Ų14367%0.67478%0.779SS**  trans-141.7119.5152.1-156.2-11.5000111.1R447D445-R447 PolarHBondContact O-N 2.94Å; D445-R447 IonicContact OD1-NE 3.13Å; D445-R447 PolarHBondContact OD1-NE 3.03Å; D445-R447 IonicContact OD2-NE 2.74Å
446K36.2Very low35.4Very low192 Ų192141.7 Ų141.784%0.83577%0.774SS**  trans-75.4120.2172.9-61.5169.2-178.4173.20108
447R33.9Very low35.4Very low206 Ų206140.1 Ų140.178%0.77778%0.78SS**  trans-148.5115.4151-88.9113.8-148.3-79.38.1112.8D445D445-R447 PolarHBondContact O-N 2.94Å; D445-R447 IonicContact OD1-NE 3.13Å; D445-R447 PolarHBondContact OD1-NE 3.03Å; D445-R447 IonicContact OD2-NE 2.74Å
448N31.3Very low35.5Very low159 Ų159143 Ų14385%0.8578%0.78SS**  trans-54.5136.5148.7-62.1-23.2000109
449N35.4Very low35.7Very low158 Ų158143.3 Ų143.385%0.84577%0.773SS**  trans-158.4139.7133.7-119.6-34.8000113.1G451N449-G451 PolarHBondContact O-N 3.28Å
450N29.6Very low35.9Very low153 Ų153144.5 Ų144.582%0.81878%0.775SS**  trans-71.2122.2175.6-68.4-50.3000109.8
451G34.8Very low35.6Very low78 Ų78141.2 Ų141.280%0.80477%0.767SS**  trans-124.650.4-178.100000112.2N449N449-G451 PolarHBondContact O-N 3.28Å
452S31.2Very low35.4Very low100 Ų100138.9 Ų138.970%0.69976%0.762SS**  trans-63.7136.5-164-52.50000115.1
453S30.4Very low35.4Very low99 Ų99137.1 Ų137.169%0.69275%0.752SS**  trans70.4147161.578.80000115.5
454R32.3Very low35.3Very low214 Ų214140.3 Ų140.381%0.80875%0.749SS**  cis-156.7146.342.3-73.2-177.4178.2178.6-3.1113.6
455L34.2Very low35.4Very low161 Ų161137.7 Ų137.784%0.84373%0.734SS**  trans68.2142.5143.2-67167.1000117.5
456S33.6Very low35.3Very low88 Ų88141 Ų14162%0.61574%0.737SS**  cis-162152.51.1175.20000112.1
457S38.4Very low35.4Very low98 Ų98139 Ų13969%0.68574%0.736SS**  trans66.4152.8148.951.50000118.9
458N39.1Very low35.4Very low127 Ų127132.7 Ų132.768%0.67974%0.735SS**  cis-157.2140.214.8-136.9-7000113.3
459K42.5Very low35.5Very low162 Ų162129.2 Ų129.270%0.70474%0.737SS**  trans61.4156.9153.1-68.6173.4-179-172.60117.3
460Q39.7Very low35.5Very low160 Ų160125 Ų12575%0.74873%0.731SS**  cis-159.2154.9-5.2-120.3163.1-33.100105.5
461T35.9Very low35.8Very low114 Ų114125.5 Ų125.570%0.69973%0.733SS**  cis-151.515128.452.20000112.5
462S36.5Very low35.7Very low98 Ų98127.4 Ų127.469%0.68573%0.734SS**  trans41.1156.2139.861.90000125
463L34.1Very low35.8Very low130 Ų130126.4 Ų126.468%0.68174%0.739SS**  cis-175.3140.8-19.1-97.1166.4000103.3
464F35.8Very low36.1Very low163 Ų163126.7 Ų126.772%0.71574%0.741SS**  -169.8151.457.2-100.3-71.8000110.7
465D38.4Very low36.2Very low106 Ų106126 Ų12657%0.56774%0.744SS**  trans33.8145.2132.8-68.620000122.4
466R37.5Very low36.3Very low194 Ų194126.2 Ų126.273%0.73275%0.746SS**  cis-166.9158.74.6-121.8172.3-156.9-138.40.9113.1
467N38Very low36.6Very low150 Ų150127.3 Ų127.380%0.80275%0.754SS**  trans61140.2155.6-59.3-11.1000119.2
468G34Very low36.7Very low74 Ų74131.9 Ų131.976%0.76376%0.761SS**  cis164.4135.5-10.500000114.4
469G34Very low37.4Very low87 Ų87131.5 Ų131.590%0.89777%0.766SS**  trans78.7151.3172.300000115.6
470G34.5Very low37.8Very low69 Ų69129.8 Ų129.871%0.71177%0.771SS**  cis163158.2-7.700000112.6
471L36.7Very low37.9Very low164 Ų164125.1 Ų125.186%0.85977%0.766SS**  trans65.597.3170.2-47.8-179.1000115.5
472S33.3Very low38.5Very low118 Ų118125.2 Ų125.283%0.82577%0.771SS**  76.2104.572.575.60000115.4
473G33.2Very low39Very low78 Ų78123.8 Ų123.880%0.80477%0.766SS**  trans-153.3118166.300000109.8
474S35.9Very low39.5Very low105 Ų105121.8 Ų121.873%0.73477%0.767SS**  trans-106.4127.7-176.9178.60000110.3
475F35.1Very low40.3Very low199 Ų199118.3 Ų118.387%0.87376%0.764SS**  trans-134.3119.6166-79.2-75.2000109.8S477F475-S477 PolarHBondContact O-N 2.84Å
476D36.3Very low40.7Very low167 Ų167116.3 Ų116.389%0.89376%0.761SS**  trans-76.1109.6171.4-81.6-55.7000110.2
477S39.3Very low41.5Very low110 Ų110111.6 Ų111.677%0.76975%0.754SS**  trans-122.6101.6167.261.50000110.4F475F475-S477 PolarHBondContact O-N 2.84Å
478K39.9Very low41.8Very low195 Ų195107.6 Ų107.685%0.84874%0.742SS**PPolyproline II helixtrans-64.7142.3171.8-66.7172.5-179.3170.80109.9
479P53.9Low42.3Very low118 Ų118107.4 Ų107.477%0.76673%0.733SS**PPolyproline II helixtrans-63.3144.6165.328.9-34000110.2
480P51.8Low43.2Very low126 Ų126106.7 Ų106.782%0.81871%0.714SS**PPolyproline II helixtrans-70164.9-18028.8-34.8000112.9
481G41.8Very low43.9Very low62 Ų62107.4 Ų107.464%0.63971%0.705SS**PPolyproline II helixtrans-62.1154-178.600000113.6A483G481-A483 PolarHBondContact O-N 3Å
482S47.8Very low44.4Very low117 Ų117104 Ų10482%0.81869%0.691SS**  cis6020.347.8-161.90000114.3
483A47.5Very low45.3Very low68 Ų68102.2 Ų102.256%0.56268%0.678SS**  trans-98.7-38.1168.800000113.1G481 S485 A486G481-A483 PolarHBondContact O-N 3Å; A483-S485 PolarHBondContact O-N 2.89Å; A483-A486 PolarHBondContact O-N 2.9Å
484A45.1Very low46.2Very low87 Ų87106.8 Ų106.872%0.71968%0.676SS**Hα-helixtrans-64.5-38.6-16900000114.8A486A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.17Å
485S51.7Low46.8Very low91 Ų91108.2 Ų108.264%0.63667%0.674SS**Hα-helixtrans-74.6-18-177.753.70000114.2A483A483-S485 PolarHBondContact O-N 2.89Å
486A47.9Very low47.5Very low63 Ų63105 Ų10552%0.52167%0.666SS.*Hα-helixtrans-77.8-32.9178.300000112.6A483 A484A483-A486 PolarHBondContact O-N 2.9Å; A484-A486 VanDerWaalsContact C-N 3.32Å; A484-A486 PolarHBondContact O-N 3.17Å
487V53.1Low48Very low95 Ų95102.1 Ų102.158%0.57666%0.659SS**Hα-helixtrans-71.1-42.3-178.4-177.60000111.1A489 S490 V491V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 2.65Å; V487-S490 PolarHBondContact O-N 2.71Å; V487-V491 PolarHBondContact O-N 2.86Å
488A45Very low48.2Very low67 Ų67101.3 Ų101.355%0.55465%0.653SS**Hα-helixtrans-58.5-37.1178.400000112.9S490A488-S490 VanDerWaalsContact C-N 3.29Å; A488-S490 PolarHBondContact O-N 3.41Å
489A45.2Very low48.3Very low69 Ų6997.7 Ų97.757%0.5765%0.648SS**Hα-helixtrans-73.6-16.1176.900000114.1V487 S493V487-A489 VanDerWaalsContact C-N 3.27Å; V487-A489 PolarHBondContact O-N 2.65Å; A489-S493 PolarHBondContact O-OG 3.43Å
490S51.9Low47.8Very low72 Ų7297.2 Ų97.250%0.50365%0.647SS.*Hα-helixtrans-91.6-32.7-176.8-166.20000113.3V487 A488V487-S490 PolarHBondContact O-N 2.71Å; A488-S490 VanDerWaalsContact C-N 3.29Å; A488-S490 PolarHBondContact O-N 3.41Å
491V48.7Very low47.3Very low85 Ų8597.9 Ų97.952%0.51565%0.648SS.*Hα-helixtrans-74.3-41-176.6178.70000112.2V487 S493 K494V487-V491 PolarHBondContact O-N 2.86Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.21Å; V491-K494 PolarHBondContact O-N 2.92Å
492V48Very low47.3Very low92 Ų92101.5 Ų101.556%0.55866%0.658SS**Hα-helixtrans-62-38.4-178-179.90000111.7K494 L495 L496V492-K494 PolarHBondContact O-N 3.37Å; V492-L495 PolarHBondContact O-N 3.24Å; V492-L496 HydrophobicContact CG1-CD1 4.25Å
493S51.5Low46.8Very low81 Ų81105.7 Ų105.757%0.56666%0.661SS**Hα-helixtrans-70.2-11.5-176.4-53.40000114.9A489 V491A489-S493 PolarHBondContact O-OG 3.43Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.21Å
494K53Low46.5Very low173 Ų173105.9 Ų105.975%0.75267%0.67SS**Hα-helixtrans-100.1-14.1179-77-172.7174.2-179.10114.9V491 V492V491-K494 PolarHBondContact O-N 2.92Å; V492-K494 PolarHBondContact O-N 3.37Å
495L48.9Very low46.2Very low135 Ų135111.7 Ų111.771%0.70768%0.679SS**Hα-helixtrans-95.6-7.3-177.3-82.1162.3000114.4V492V492-L495 PolarHBondContact O-N 3.24Å
496L50.2Low45.7Very low133 Ų133112.9 Ų112.970%0.69669%0.688SS**SBendtrans-105.5-3.5-175.4-68.3169.4000114.5V492V492-L496 HydrophobicContact CG1-CD1 4.25Å
497S45.4Very low45.2Very low105 Ų105114.5 Ų114.573%0.73470%0.695SS**SBendtrans-94.510.4-174.4-54.30000115.1
498S44.4Very low44.6Very low94 Ų94119.3 Ų119.366%0.65771%0.708SS**  trans-131.947.8-168.464.70000115.1
499T41.8Very low44.4Very low119 Ų119122.1 Ų122.173%0.7372%0.719SS**  trans-132.640.6176.761.60000114.5V501T499-V501 PolarHBondContact O-N 2.83Å
500S42.8Very low44Very low108 Ų108124.3 Ų124.376%0.75573%0.73SS**  trans-88.275.8174.248.10000112.5V502S500-V502 PolarHBondContact O-N 3.18Å; S500-V502 VanDerWaalsContact O-N 3.09Å
501V40.8Very low43.5Very low140 Ų140126 Ų12685%0.84875%0.748SS**  trans-75.998.3-178.5-173.30000111.7T499T499-V501 PolarHBondContact O-N 2.83Å
502V42.6Very low43.1Very low138 Ų138128.2 Ų128.284%0.83677%0.767SS**  trans-99.5132.4172.1-176.10000110.2S500S500-V502 PolarHBondContact O-N 3.18Å; S500-V502 VanDerWaalsContact O-N 3.09Å
503K37.7Very low42.7Very low204 Ų204126.9 Ų126.989%0.88777%0.773SS**  trans-104.592.6-168.1-155.3169.9-170.1171.60111.6
504G40.6Very low42.4Very low73 Ų73128.8 Ų128.875%0.75379%0.786SS**  trans-99.8158.3173.100000112.9
505K39.1Very low41.9Very low208 Ų208130 Ų13090%0.90479%0.791SS**  trans-132112.2-177-69.3-178.8177.4-177.50112.8
506S40.5Very low41.6Very low117 Ų117128.6 Ų128.682%0.81879%0.793SS**  trans174.7148.3157.644.50000107.8
507S38.8Very low41Very low96 Ų96128.2 Ų128.267%0.67180%0.796SS**  cis160.7139.4-30.347.30000106.2
508F40.3Very low40.7Very low196 Ų196133.1 Ų133.186%0.8680%0.799SS**  trans87.4141.2169.7-74.3-80.5000121.6
509V41.2Very low40.6Very low127 Ų127133.5 Ų133.577%0.7780%0.797SS**  trans48.2117.3167.8-115.40000118.1
510S36.7Very low40.5Very low114 Ų114135.1 Ų135.180%0.79780%0.796SS**  cis84.59526.6-47.60000116.9
511A40.8Very low40.4Very low109 Ų109134 Ų13490%0.90179%0.789SS**  trans-158.7166.8159.200000109.8
512S41Very low40.4Very low130 Ų130135.3 Ų135.391%0.90979%0.785SS**  trans-148.9161.5-165.665.40000116
513G39.5Very low40.4Very low65 Ų65135 Ų13567%0.6778%0.777SS**  trans134.6124176.700000111.1
514S44Very low40.5Very low121 Ų121135.8 Ų135.885%0.84678%0.775SS**  67.8135.350.8-610000113.5
515K42.3Very low40.5Very low197 Ų197137.4 Ų137.486%0.85778%0.775SS**  cis-177.9161.5-22.8-127.7-179.7-179.2-179.10106.5
516S42.9Very low40.4Very low107 Ų107132.8 Ų132.875%0.74877%0.769SS**  trans66.6165.7168.7-74.30000118.4
517T38.2Very low40.7Very low125 Ų125132.4 Ų132.477%0.76776%0.763SS**  -177.3151.7-55.833.40000111.2
518R38.2Very low40.6Very low208 Ų208132.2 Ų132.279%0.78576%0.762SS**  trans85.5165.7150.8-149.4-173153.3167.6-5.4119.5E520R518-E520 IonicContact NE-OE1 2.72Å; R518-E520 IonicContact NH2-OE1 3.38Å
519T42.5Very low40.5Very low102 Ų102132.2 Ų132.263%0.62676%0.762SS**  trans72.2110.4171.949.20000115.3
520E39.6Very low40.6Very low152 Ų152131.5 Ų131.571%0.7176%0.763SS**  78.313873.8-73.2159.9-143.300111.5R518R518-E520 IonicContact NE-OE1 2.72Å; R518-E520 IonicContact NH2-OE1 3.38Å
521S41.3Very low40.9Very low86 Ų86132.8 Ų132.860%0.60176%0.76SS**  cis-167.2-174.5-3.553.70000110.3
522H41.3Very low40.9Very low167 Ų167138.8 Ų138.877%0.77376%0.76SS**  trans71.4153.4159.6-64.9-33.2000118.5
523I41.9Very low40.9Very low131 Ų131143.9 Ų143.967%0.67276%0.759SS**  cis-164.7157.8-21.8-120.5169.3000111.6
524R40.7Very low40.8Very low220 Ų220151.6 Ų151.683%0.8377%0.768SS**  trans69114.5156.4-86.3167.6-162.8-1030.9124.7
525S39Very low40.8Very low108 Ų108151.8 Ų151.876%0.75577%0.767SS**  63.7132122.964.10000125.7
526S38.1Very low40.5Very low111 Ų111149.6 Ų149.678%0.77676%0.763SS**  trans-64.3-175.2157.1-27.30000113.6
527P47Very low40.5Very low109 Ų109153.2 Ų153.271%0.70877%0.768SS**  cis-141.7178.4941.6-21.4000118.5
528S35.5Very low40.4Very low91 Ų91151.3 Ų151.364%0.63676%0.76SS**  trans48.5133.9147.862.40000122.8
529F39.5Very low40.4Very low197 Ų197152.9 Ų152.986%0.86477%0.766SS**  174.4169.1117.2-104.7-70.7000114.5
530S43.5Very low40.2Very low112 Ų112152.3 Ų152.378%0.78377%0.766SS**  trans100.1125.4154.476.90000121.3
531D41.4Very low40.1Very low140 Ų140155.7 Ų155.775%0.74977%0.772SS**  trans-75.6166.6173-54-110000114.8
532R41.9Very low40Very low235 Ų235162.5 Ų162.589%0.88779%0.787SS**  -172.8113.6111.2-95.8151.5-157.2-120.94.3116
533R40.5Very low39.8Very low237 Ų237165.5 Ų165.589%0.89479%0.791SS**  trans46.4133.6133.5-59.3-173.9177.2-129-3.5122.2
534R36.9Very low39.6Very low227 Ų227170.9 Ų170.986%0.85780%0.803SS**  trans-72.7165.2155.7-64.3179.9171.9-155.9-2.3111.9
535P44.3Very low39.4Very low126 Ų126165.3 Ų165.382%0.81880%0.797SS**  -138.7176115.538.5-27.6000114.9
536L36.2Very low39.4Very low150 Ų150166.2 Ų166.279%0.78580%0.799SS**  trans-104.1149.5168.9-63.6162.8000109
537Q42Very low39.5Very low183 Ų183165.8 Ų165.886%0.85580%0.796SS**  172.1147.5126.3-98.5-170.647.700116.5
538S37.7Very low39.2Very low85 Ų85171.7 Ų171.759%0.59480%0.804SS**  trans59.3112.1135-58.60000124.1
539R38.2Very low39.2Very low242 Ų242172.4 Ų172.491%0.91381%0.809SS**  75.5130.3121.8-74.3178.7156-166.2-3.3122.6
540S37.2Very low39.2Very low90 Ų90167.4 Ų167.463%0.62980%0.799SS**  100.3108.2128.1-1680000121.5
541R37.5Very low38.9Very low222 Ų222166.7 Ų166.784%0.83879%0.794SS**  38.5132.9129.6-46.3169.1-172.21702.3119.6
542Y39.5Very low38.8Very low230 Ų230170.7 Ų170.790%0.90280%0.798SS**  -158.4177106.7-114.3-80.5000111.3
543R36.4Very low38.7Very low229 Ų229170.3 Ų170.386%0.86480%0.797SS**  trans-127.2146.9-171.3-64.8176.9173.8178.6-1.8112.7
544R38.5Very low38.6Very low245 Ų245162.4 Ų162.493%0.92578%0.778SS**  trans-168.9128.6141.9-103.1170.9-176.4-168.41.1108.2
545S37.1Very low38.7Very low102 Ų102159.5 Ų159.571%0.71377%0.773SS**  cis110.2820.787.20000117.8
546T39.6Very low38.5Very low128 Ų128158 Ų15879%0.78577%0.766SS**  trans-142.4106.6156.939.80000107.2
547S39.5Very low38.7Very low101 Ų101154.1 Ų154.171%0.70675%0.751SS**  61.6127.889.667.60000113.9
548R39.5Very low38.6Very low233 Ų233156.7 Ų156.788%0.87975%0.753SS**  cis-163.1146.917.3-123.4166.4-179.2177.8-0.8111.4
549S37.1Very low38.5Very low107 Ų107156.3 Ų156.375%0.74876%0.763SS**  trans58.1149143.3-59.50000122.4
550S38.1Very low38.6Very low92 Ų92149.8 Ų149.864%0.64375%0.754SS**  cis-177.2140.1-21.849.50000111.9
551S37.5Very low38.8Very low97 Ų97156 Ų15668%0.67876%0.764SS**  trans62.1154.5150.849.10000120.1
552R38.9Very low38.8Very low223 Ų223151.2 Ų151.284%0.84276%0.755SS**  cis-162.9146.1-8.6-109.1161.4-163.7-174.44.8108.6
553R40.1Very low38.7Very low227 Ų227150.1 Ų150.186%0.85775%0.749SS**  36.6145.6127.9-66-173.2-177.8-158.5-0119.9
554S37.9Very low38.7Very low71 Ų71149.6 Ų149.650%0.49775%0.747SS.*  cis178.916113.6-117.30000114.8
555H39.9Very low38.5Very low166 Ų166148.4 Ų148.477%0.76974%0.743SS**  trans61.3120.3149.5-48.4-37.1000120.2
556S39.6Very low38.5Very low94 Ų94153.1 Ų153.166%0.65775%0.746SS**  77.9146.274.2101.20000115.5
557S40.2Very low38.2Very low69 Ų69155.9 Ų155.948%0.48375%0.75SS.*  cis-168.7166.26.881.40000114.4
558R40Very low38Very low238 Ų238156.4 Ų156.490%0.89875%0.754SS**  trans56.5136.1147.4-64.3168178.1-177.40121.5
559G37Very low37.7Very low77 Ų77157 Ų15779%0.79476%0.756SS**  trans-179.229170.400000124.2
560S40.6Very low37.7Very low104 Ų104158 Ų15873%0.72776%0.758SS**  trans25.6132.8149-97.20000124.9
561R39.7Very low37.5Very low222 Ų222164.5 Ų164.584%0.83877%0.768SS**  trans91.4141134.7-68.3166.4-179.8178.3-1.4122.8
562N38.1Very low37.3Very low121 Ų121167 Ų16765%0.64777%0.773SS**  trans87.1107.8142.6-78.6-16.6000123.1
563R36.6Very low37.2Very low207 Ų207161.4 Ų161.478%0.78177%0.769SS**  47.3110.4116.5-59.9172.7173.1-176.8-3.3118.5
564R37.6Very low37.1Very low217 Ų217157.7 Ų157.782%0.81977%0.766SS**  -175.6149.997.3-100.3160.5-177.2-173.50.1114Y566R564-Y566 HydrophobicContact CB-CD2 4.42Å
565R34.2Very low37.1Very low221 Ų221158.9 Ų158.983%0.83477%0.774SS**  trans-84.8118.3173.1169.1-160.7-73.2170.2-7.4108.9
566Y36.5Very low37Very low201 Ų201155.3 Ų155.379%0.78877%0.768SS**  trans-141144.4163.1-86.9-76.3000111.8R564R564-Y566 HydrophobicContact CB-CD2 4.42Å
567H32.8Very low36.9Very low185 Ų185161.8 Ų161.886%0.85678%0.778SS**  trans-93.2135166.5-75.9-1.8000109.6
568S36.4Very low36.9Very low113 Ų113162.5 Ų162.579%0.7978%0.783SS**  trans-156.1151.5156.748.30000110.9
569R33.8Very low36.8Very low246 Ų246161.5 Ų161.593%0.92878%0.781SS**  trans-110.8108.8-178.1-62.7167.4174.7159.6-5.9110.1
570T36.8Very low36.8Very low128 Ų128168.9 Ų168.979%0.78579%0.785SS**  trans-158.8127.2159.6270000107.4
571R32.9Very low36.7Very low227 Ų227169 Ų16986%0.85779%0.785SS**  68.9109.563.6-88.8-169169.5-175.6-2115.2
572N33.9Very low36.8Very low149 Ų149162.2 Ų162.280%0.79777%0.772SS**  trans72.9153.7146.1-76.720.1000121.7
573S37Very low36.9Very low107 Ų107165.8 Ų165.875%0.74878%0.778SS**  trans79.4146.2160.183.70000115.9
574N37.6Very low37Very low149 Ų149165.7 Ų165.780%0.79778%0.778SS**  cis-158.4152.62.4-135.1-6.1000114.4
575S37.1Very low37.1Very low95 Ų95164.9 Ų164.966%0.66478%0.775SS**  trans66.6154.6153.3-143.50000118.1
576S38.2Very low37.4Very low91 Ų91163.1 Ų163.164%0.63677%0.769SS**  cis-149.5142.115.4-51.20000114.8
577R37.7Very low37.7Very low231 Ų231162.2 Ų162.287%0.87277%0.769SS**  trans55.6145132.8-68.4176.3173.6156.6-3.5121.1
578S40Very low37.9Very low84 Ų84164.4 Ų164.459%0.58777%0.77SS**  cis-175.1161.3-7.544.20000113.9
579Y38.6Very low38Very low217 Ų217164.1 Ų164.185%0.85177%0.768SS**  trans79144.7170.8-58.7-76.2000117.1
580R37.7Very low38.5Very low231 Ų231158.1 Ų158.187%0.87276%0.761SS**  cis-145.7123.28.5-153.4176.5-173.3-151.25108
581S38.2Very low38.6Very low106 Ų106158.6 Ų158.674%0.74176%0.759SS**  51.1131.197.5-110.40000116
582S41Very low38.9Very low80 Ų80156.8 Ų156.856%0.55975%0.752SS**  cis-161.2170.214.7-71.90000114.7
583Y39.6Very low39Very low196 Ų196158.8 Ų158.877%0.76975%0.75SS**  trans74.6140.9156.2-59.9-48.7000119.6
584R39.3Very low39Very low206 Ų206164.7 Ų164.778%0.77776%0.755SS**  cis-143.8133-16-93.4165-160.7-1494106.1
585R40.4Very low39Very low200 Ų200162.5 Ų162.576%0.75575%0.752SS**  61.5120.274.9-173.7-176.4-86.5-152-2111.4
586Y40.1Very low38.8Very low183 Ų183168.3 Ų168.372%0.71876%0.759SS**  cis-147-158.516.9-123.3-24.6000110.9
587K42.6Very low38.8Very low182 Ų182171.4 Ų171.479%0.79176%0.763SS**  cis-141.7-1009.1-150169.4-174.8178.30114.8
588R37.4Very low38.7Very low231 Ų231171.1 Ų171.187%0.87276%0.762SS**  trans-173.3172.3-162.6-81.5-175.9-178.4168.1-3.1109
589S37.5Very low38.5Very low108 Ų108172 Ų17276%0.75577%0.768SS**  cis-175.1167.7-25.2-82.60000109
590P45.1Very low38.3Very low120 Ų120166.6 Ų166.678%0.77976%0.762SS**  trans-107.4157.8-16039.7-36.2000118.7
591N39Very low38.2Very low137 Ų137161.2 Ų161.273%0.73376%0.76SS**  trans-171.9168.4159.6-98-32.2000107
592R38.3Very low38.2Very low190 Ų190160.2 Ų160.272%0.71775%0.753SS**  cis-172.6152.2-36.4-160-174.7-72.2-158.2-1.7106.6
593Y37.1Very low38.2Very low191 Ų191167.4 Ų167.475%0.74977%0.768SS**  trans74.3123.5157.4-86.5-57.5000124.4
594R35.9Very low38.1Very low230 Ų230169 Ų16987%0.86877%0.773SS**  91.2148.2127.8-107.6174.5-178.1-171.70.6123.2
595S37.9Very low38.1Very low103 Ų103163 Ų16372%0.7276%0.762SS**  trans59.4126.3174.7-92.90000117.6
596R34.2Very low38Very low217 Ų217159.3 Ų159.382%0.81977%0.766SS**  cis83.514337.6-81.3-165.4167.2-177.3-1.7115
597H37.6Very low38Very low157 Ų157155.2 Ų155.273%0.72776%0.764SS**  trans71.9156177.5-53-85.9000114.6
598R35Very low37.9Very low225 Ų225153.9 Ų153.985%0.84977%0.765SS**  cis-171.2159.8-46.8-135.5-173-173.3-167.41.7105.9
599S35.1Very low38Very low101 Ų101147.2 Ų147.271%0.70675%0.754SS**  trans77.7133.2157.5-50.50000120.7
600S34.6Very low38.1Very low105 Ų105146.6 Ų146.673%0.73475%0.75SS**  trans7598.7135.4-58.20000123.5
601S35.4Very low37.8Very low117 Ų117146.8 Ų146.882%0.81875%0.749SS**  78.7167.5110.679.80000123.1
602S38.5Very low37.8Very low85 Ų85145.4 Ų145.459%0.59475%0.75SS**  trans91.9118.6157.2153.10000121
603R40.7Very low38.1Very low232 Ų232141.6 Ų141.688%0.87575%0.748SS**  trans67.7158146.8-62.3172.9-176.71710.4116.5
604R39.4Very low38.3Very low230 Ų230138.7 Ų138.787%0.86875%0.745SS**  cis-161.5-175.8-18.1-112.9-151.1155.4178.2-5.3106.7
605S38.6Very low38.6Very low80 Ų80132.6 Ų132.656%0.55973%0.73SS**  178.7125.8-69.3610000110.2
606C37.9Very low38.6Very low122 Ų122137.3 Ų137.382%0.82473%0.732SS**  trans-178.2146.5165.730.80000108
607S40.9Very low38.9Very low97 Ų97135.7 Ų135.768%0.67873%0.731SS**  cis155.3147.8-15.947.20000105.6
608D40.1Very low39Very low153 Ų153132.9 Ų132.982%0.81873%0.729SS**  cis-166173.5-12.1-113-86.1000106.6
609S39.6Very low39.3Very low92 Ų92126.1 Ų126.164%0.64371%0.71SS**  cis-132.5-116.5331.60000109.3
610S38.5Very low39.6Very low95 Ų95131.9 Ų131.966%0.66472%0.717SS**  cis-168.7164.2-10.2-60000108
611T39Very low40Very low123 Ų123133 Ų13376%0.75572%0.715SS**  cis-168.2142-33.822.30000108.5
612S40.4Very low40.1Very low108 Ų108137.6 Ų137.676%0.75572%0.715SS**  trans65.8140.5158.5-102.70000120.9
613T44Very low40.2Very low110 Ų110139.4 Ų139.468%0.67572%0.722SS**  cis-163.3146.4-13.6-2.50000111.7
614D42Very low40Very low131 Ų131133.8 Ų133.870%0.70172%0.718SS**  trans46.5152.5137.7-73.725000123.3
615N40.8Very low40Very low102 Ų102128.1 Ų128.155%0.54571%0.714SS.*  cis-163.31481.4-123.6-35.7000114.9
616R39.3Very low39.8Very low201 Ų201131.8 Ų131.876%0.75873%0.727SS**  trans68.8142.1138.4-79.3159.3-160.1-141.2-3.7126.6
617K40.1Very low40.6Very low184 Ų184131.2 Ų131.280%0.872%0.722SS**  trans72.9128.1152.6-69171.6177.6-175.20117.7
618S39.9Very low40.5Very low98 Ų98131.7 Ų131.769%0.68573%0.725SS**  cis85.9138.338.181.70000113.6
619N40.6Very low40.5Very low83 Ų83130.4 Ų130.444%0.44472%0.723SS.*  cis-164.2155.521.9179.549.2000113.7
620Y41.6Very low40.2Very low221 Ų221137.4 Ų137.487%0.86774%0.735SS**  trans66.1171.7154.7-23.3-72.2000118.7
621D42.1Very low40.2Very low130 Ų130137.6 Ų137.670%0.69574%0.736SS**  cis-150.3-175.4-12.7-141.2-33.3000113.1
622R37.5Very low40Very low213 Ų213141.2 Ų141.280%0.80474%0.742SS**  trans-63.8-174.2-178.2-59.5149.1168.4-179.4-3.3116
623V40.4Very low39.9Very low123 Ų123142.3 Ų142.375%0.74574%0.74SS**  cis-158.3158.116.1-146.50000112.2
624S36.8Very low39.7Very low113 Ų113144.1 Ų144.179%0.7974%0.74SS**  trans61.5163.2149-81.10000120.3
625S39.3Very low39.5Very low112 Ų112144.8 Ų144.878%0.78374%0.744SS**  cis-158.3161.6-11.337.40000112.6
626N36.1Very low39.4Very low157 Ų157146 Ų14684%0.8476%0.757SS**  trans-81.6-174.8175.5-74.8-36.3000113.2
627P53.4Low39.2Very low110 Ų110144.6 Ų144.671%0.71476%0.764SS**  cis-136.2177.4-48.838.4-23.2000113.7
628S38Very low38.8Very low106 Ų106141.1 Ų141.174%0.74176%0.761SS**  trans176.4139.9132.3-85.70000118.9
629T40.4Very low38.8Very low126 Ų126143.8 Ų143.877%0.77376%0.763SS**  trans55.5121141.761.60000126
630R35Very low38.8Very low239 Ų239147.7 Ų147.790%0.90278%0.779SS**  100.8145.8125-113179173.9-177.1-4.5121.9
631S37.8Very low38.5Very low99 Ų99145 Ų14569%0.69278%0.78SS**  trans67.4122.7169.2-36.50000115.8
632F35.1Very low38.4Very low200 Ų200143.4 Ų143.488%0.87778%0.784SS**  48118.368.5-77.2-91000111.7
633N37.8Very low38.3Very low131 Ų131139.8 Ų139.870%0.70179%0.785SS**  cis-153.7-178.749.3-138.5-13.5000115.6
634Q39.7Very low38.3Very low147 Ų147140.8 Ų140.869%0.68779%0.785SS**  trans-42.8165.7-175.6-68.6156.472.700121.6
635N38.6Very low38.6Very low145 Ų145143.8 Ų143.878%0.77579%0.787SS**  trans78121.8159.2-60.6-16000119
636P38Very low38.6Very low127 Ų127144 Ų14483%0.82579%0.785SS**PPolyproline II helixtrans-88.1132.8170.934.5-30.6000111.6
637L35.7Very low38.7Very low172 Ų172143.9 Ų143.990%0.90178%0.784SS**PPolyproline II helixtrans-78.6149.6162.3-131.976.4000109.9
638C30.4Very low37.9Very low111 Ų111144.3 Ų144.375%0.7579%0.785SS**PPolyproline II helixtrans-81.3138.6164.5174.40000108.9
639E40.1Very low38Very low155 Ų155148.6 Ų148.672%0.72479%0.793SS**  trans-171.5156.4130.6-114.5-177.6-156.600117.5
640Q40.1Very low38.3Very low165 Ų165151.9 Ų151.977%0.77180%0.797SS**  trans71.5155.6154.4-67.4178.545.100120.9
641N35.3Very low38.6Very low165 Ų165148.8 Ų148.888%0.88279%0.793SS**  trans-122.5147.9-156.6-69.7-72.1000113.3
642A40.3Very low38.9Very low95 Ų95149.4 Ų149.479%0.78579%0.794SS**  trans-151.684.5167.900000114.5
643V36.6Very low39.3Very low137 Ų137144.2 Ų144.283%0.8378%0.783SS**  -0.6122.4129.2168.80000115.1
644I38.7Very low40.3Very low145 Ų145143.1 Ų143.174%0.74478%0.783SS**  cis-139.3-136.7-14.6-26.2171.3000107.8
645Q45Very low40.7Very low176 Ų176141 Ų14182%0.82278%0.781SS**  cis-138.2165.14-84.4-169.12.900110.5
646P38.7Very low40.9Very low115 Ų115140.5 Ų140.575%0.74778%0.783SS**  trans-110.9146.1-163.638.7-31.2000116.7
647N37.3Very low41.2Very low155 Ų155144.6 Ų144.683%0.82978%0.783SS**  trans-163.3158.6138.8-140.7-34.2000115.2
648V37.9Very low41.5Very low119 Ų119144.4 Ų144.472%0.72177%0.774SS**  trans56.963.3165.1-155.70000117.9
649Q39.1Very low41.9Very low197 Ų197149 Ų14992%0.92178%0.776SS**PPolyproline II helixtrans-76134.6158.8-69.7-171.50.500111.5
650K46.2Very low41.8Very low194 Ų194151.2 Ų151.284%0.84378%0.779SS**PPolyproline II helixtrans-88.7126.8170.3-86.7175.9175.2165.10110.2
651Q42.1Very low41.7Very low175 Ų175152.8 Ų152.882%0.81878%0.779SS**PPolyproline II helixtrans-49129.4174-73.8-69.4-14.400112
652P44.1Very low42Very low111 Ų111154.2 Ų154.272%0.72177%0.772SS**PPolyproline II helixtrans-66.4148.9174.728.3-33.6000110.7
653S43.6Very low41.7Very low91 Ų91155.1 Ų155.164%0.63677%0.77SS**PPolyproline II helixtrans-77.4133174.8-57.30000110
654P58.9Low42Very low109 Ų109153.5 Ų153.571%0.70875%0.754SS**PPolyproline II helixtrans-62.6152.117626.5-34.8000111.4V656P654-V656 PolarHBondContact O-N 2.9Å
655P49.2Very low42Very low101 Ų101153.9 Ų153.966%0.65676%0.756SS**PPolyproline II helixtrans-62.2129.1-174.423.3-33.2000112R657P655-R657 PolarHBondContact O-N 3.38Å
656V41.1Very low41.6Very low135 Ų135155.1 Ų155.182%0.81876%0.762SS**  trans-7490.7178.9-178.10000109.1P654 K658P654-V656 PolarHBondContact O-N 2.9Å; V656-K658 PolarHBondContact O-N 3.2Å
657R45.8Very low41.5Very low214 Ų214155.6 Ų155.681%0.80877%0.768SS**  trans-56.6108.3171.1-61.9-175.277.6-170.83.8108.8P655 R659P655-R657 PolarHBondContact O-N 3.38Å; R657-R659 PolarHBondContact O-N 2.93Å
658K41.4Very low41.4Very low167 Ų167152.3 Ų152.373%0.72676%0.763SS**  trans-62.191.1178.9-68.3-179.2-177.8174.30110.1V656 Y660V656-K658 PolarHBondContact O-N 3.2Å; K658-Y660 HydrophobicContact CB-CD2 4.2Å; K658-Y660 HydrophobicContact CB-CE2 3.86Å; K658-Y660 HydrophobicContact CD-CE2 4.11Å; K658-Y660 PolarHBondContact O-N 3.41Å; K658-Y660 VanDerWaalsContact O-N 3.11Å
659R38.8Very low41.6Very low207 Ų207154.5 Ų154.578%0.78177%0.771SS**  trans-7693.9171.3-72.5-177.5179-108.47.5109R657 Y661R657-R659 PolarHBondContact O-N 2.93Å; R659-Y661 PolarHBondContact O-N 3.32Å
660Y38.4Very low41.8Very low203 Ų203153.9 Ų153.980%0.79677%0.767SS**  trans-70.680164.3-72.2-91000109.5K658K658-Y660 HydrophobicContact CB-CD2 4.2Å; K658-Y660 HydrophobicContact CB-CE2 3.86Å; K658-Y660 HydrophobicContact CD-CE2 4.11Å; K658-Y660 PolarHBondContact O-N 3.41Å; K658-Y660 VanDerWaalsContact O-N 3.11Å
661Y38Very low41.5Very low197 Ų197155.1 Ų155.177%0.77377%0.773SS**  trans-74.9123.6156.6-104.5-90.6000107.6R659 P663R659-Y661 PolarHBondContact O-N 3.32Å; Y661-P663 WeakPolarHBondContact O-CD 3.46Å
662R40.3Very low41.6Very low196 Ų196154.4 Ų154.474%0.7477%0.77SS**  trans-99.2105.1170175-177.7176.51504.2107.7E664R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact NE-O 2.9Å; R662-E664 PolarHBondContact O-N 3.14Å
663P35.3Very low41.3Very low114 Ų114155.9 Ų155.974%0.7477%0.771SS**  trans-96.540.1-178.539.6-34.7000111.8Y661Y661-P663 WeakPolarHBondContact O-CD 3.46Å
664E41.9Very low41Very low102 Ų102156.8 Ų156.848%0.47778%0.778SS.*  trans-137.996177.6-70.9-174.1-136.400108.7R662 R779R662-E664 VanDerWaalsContact C-N 3.3Å; R662-E664 PolarHBondContact NE-O 2.9Å; R662-E664 PolarHBondContact O-N 3.14Å; E664-R779 IonicContact OE1-CZ 2.71Å; E664-R779 VanDerWaalsContact OE1-CZ 3.27Å; E664-R779 IonicContact OE1-NH1 3.21Å; E664-R779 PolarHBondContact OE1-NH1 3.14Å; E664-R779 IonicContact OE1-NH2 3.19Å; E664-R779 PolarHBondContact OE1-NH2 3.26Å
665L38.9Very low39.9Very low153 Ų153159.8 Ų159.880%0.80179%0.788SS**SBendtrans155.965.5159.7-87.7168.8000110.8
666E37.8Very low39.6Very low202 Ų202163.4 Ų163.494%0.94480%0.796SS**  trans-16265.9171.2-131.1170.6-126.900111.5
667S34.6Very low39.5Very low125 Ų125164.6 Ų164.687%0.87479%0.792SS**  trans-158.540.6171.575.50000113.4
668A35.6Very low39.3Very low87 Ų87163 Ų16372%0.71979%0.794SS**  trans-152.891.2172.300000108.3
669D43.1Very low38.8Very low165 Ų165160.2 Ų160.288%0.88280%0.796SS**  trans-178.6164.8140.2-87.5-23.2000108.7
670E43.8Very low38.8Very low183 Ų183157.3 Ų157.386%0.85580%0.796SS**  trans56.490.2-178.5-65.7-173-154.500117.3
671F39.4Very low38.7Very low221 Ų221151.9 Ų151.997%0.96978%0.784SS**  -138.8142.7107.3-118.3-82000109.7
672E43Very low38.7Very low159 Ų159151 Ų15174%0.74378%0.784SS**  trans-118168.9-158.5-160.9-169.4-134.100112.5
673L39.3Very low38.6Very low142 Ų142150.3 Ų150.374%0.74379%0.786SS**  trans86135.4159.5-53.2173.4000119.9
674S36.8Very low38.6Very low111 Ų111152 Ų15278%0.77679%0.785SS**  trans86.464.1153.3-40.30000119.5
675D35.1Very low38.5Very low172 Ų172152.2 Ų152.292%0.9280%0.797SS**  trans-99.4124.5139.1-88.9-41.4000107.6
676E44Very low38.4Very low177 Ų177150 Ų15083%0.82780%0.795SS**  trans-133.5157.2177.8-98.9-67.6177.300110.5
677E38.2Very low38.4Very low160 Ų160149.7 Ų149.775%0.74879%0.79SS**  trans-72.1143.7-158.2-58.3-170.4148.800115.3
678Q41.5Very low38.6Very low180 Ų180148.3 Ų148.384%0.84178%0.78SS**  179.4142.298.3-95.5168.424.800114
679S32.2Very low38.7Very low109 Ų109147.1 Ų147.176%0.76277%0.766SS**  trans-82.4139.6163.656.60000111.2
680D38.9Very low38.5Very low146 Ų146146.9 Ų146.978%0.78177%0.765SS**  -161.8-178.1115.2-135.8-47.6000113.4
681T35.8Very low38.1Very low89 Ų89141.8 Ų141.855%0.54676%0.762SS.*  trans-96.5158-150.649.30000116.1
682K38.4Very low38Very low178 Ų178138.5 Ų138.577%0.77476%0.755SS**  trans81141.9152.8-65140-169.9141.50119.7
683K37.5Very low37.7Very low181 Ų181136.2 Ų136.279%0.78776%0.756SS**  trans70.9147.8153.6-74.8-172.2172.7-171.50118.5
684E35.5Very low37.5Very low151 Ų151132.7 Ų132.771%0.70675%0.754SS**  cis-164.8140.1-29-131.1163.6-170.900110.6
685S38.4Very low37.8Very low105 Ų105136.4 Ų136.473%0.73476%0.756SS**  trans73.2158.5159.789.40000121.2
686S37.5Very low37.9Very low108 Ų108136.3 Ų136.376%0.75575%0.75SS**  trans63.6104.7148.6-48.60000119.5
687K38.9Very low37.5Very low195 Ų195134.4 Ų134.485%0.84875%0.745SS**  cis100.1121.321.1-165.6-179.3-179.41690115.7
688S36.8Very low37.4Very low96 Ų96132.5 Ų132.567%0.67174%0.744SS**  trans65.4150.5165.540.90000118.2
689S38.9Very low37Very low61 Ų61128 Ų12843%0.42773%0.733SS.*  cis-162.6166.2-342.40000112.5
690D37.8Very low37.3Very low161 Ų161133.7 Ų133.786%0.86174%0.737SS**  trans-21.5151.8160.3-34.5-76000118.8
691G36Very low37.1Very low76 Ų76138 Ų13878%0.78474%0.743SS**  trans165.166.4161.200000122.3
692N37.7Very low36.9Very low152 Ų152138.4 Ų138.481%0.81375%0.749SS**  trans39.5138.6136-16936.3000124.1
693S36.1Very low36.9Very low110 Ų110137.3 Ų137.377%0.76975%0.752SS**  trans81.5157.7150.180.20000121.1
694G35.2Very low36.8Very low68 Ų68133 Ų13370%0.70175%0.745SS**  trans113.768.3178.600000113.6
695K43.4Very low36.8Very low190 Ų190133.1 Ų133.183%0.82675%0.75SS**  61.4109.586.4-75.9-172.4176.4177.70116
696Q37.7Very low36.6Very low170 Ų170132.1 Ų132.179%0.79474%0.743SS**  trans68.2163151.9-53-177.99.700114.4
697L34.8Very low36.5Very low136 Ų136137.9 Ų137.971%0.71275%0.75SS**  cis-132.6169.716.1-77.2160000112.5
698T36.2Very low36.4Very low121 Ų121132 Ų13274%0.74275%0.745SS**  trans22.8148.9144.659.80000121.7
699S34.4Very low36.4Very low85 Ų85135 Ų13559%0.59475%0.753SS**  cis176.5172-9.558.50000107.7
700R36.9Very low36.2Very low228 Ų228141.6 Ų141.686%0.8678%0.775SS**  trans66.6162.1170.8-51.9162-172.8-147.9-0.5113.2
701R35.4Very low36.2Very low237 Ų237138.8 Ų138.889%0.89477%0.773SS**  cis-151.8-173.5-39.2-113.9-178178.2-168.9-1.1105.3
702S32.3Very low36.3Very low97 Ų97138.2 Ų138.268%0.67877%0.767SS**  trans-63.3-176.6172-51.30000113.3
703D37.4Very low36.6Very low155 Ų155140.8 Ų140.883%0.82977%0.771SS**  trans81.9141.6165.1-39.3-33.7000114.4
704S35.7Very low36.6Very low91 Ų91145 Ų14564%0.63678%0.781SS**  cis-165.5169.5-20.555.60000108.6
705N35.8Very low36.8Very low154 Ų154148.1 Ų148.182%0.82479%0.787SS**  trans63.9165.2166-65.5-20.8000116.5
706S34.4Very low36.5Very low83 Ų83144.4 Ų144.458%0.5879%0.785SS**  cis-161.5-179.8-34.8-173.50000107.5
707Y35.8Very low36.7Very low230 Ų230145.3 Ų145.390%0.90279%0.789SS**  trans67.8143.2179.9-44.3-79.6000114.9
708G36.3Very low36.9Very low72 Ų72147 Ų14774%0.74279%0.794SS**  cis-164.6146.3-6.200000110.9
709N37.1Very low37Very low159 Ų159148.2 Ų148.285%0.8580%0.795SS**  trans-65.5142.8-172.7-52.7-57.3000113.1
710F34.2Very low37.1Very low199 Ų199150.4 Ų150.487%0.87380%0.804SS**  -161.1134112.5-130.3-105.6000112.6
711A38.1Very low37.3Very low101 Ų101146.8 Ų146.884%0.83581%0.808SS**  trans-150.965.5177.300000110.8K713A711-K713 PolarHBondContact O-N 2.87Å
712G37.2Very low37.4Very low64 Ų64139.4 Ų139.466%0.6681%0.806SS**PPolyproline II helixtrans-73.9117.8-17800000112.8
713K43.9Very low37.7Very low206 Ų206138.5 Ų138.590%0.89681%0.811SS**PPolyproline II helixtrans-87123.2166.1-74.9-179.7177.6174.70109.6A711A711-K713 PolarHBondContact O-N 2.87Å
714M35.7Very low38Very low198 Ų198136.6 Ų136.698%0.97581%0.808SS**PPolyproline II helixtrans-70.8129.4174.3-73.7-176.5166.700111.7
715T39.6Very low38Very low135 Ų135137.8 Ų137.883%0.82882%0.816SS**  trans-145.5137.7150.4-167.90000107.9
716S38.2Very low38.5Very low112 Ų112135.8 Ų135.878%0.78381%0.811SS**  trans-165.9123.6177.2-83.90000110.6
717Q40.5Very low38.7Very low189 Ų189136.4 Ų136.488%0.88382%0.816SS**  166.9114.6123.8-91.7177.625.800109.8
718Q39.3Very low39.1Very low171 Ų171134.1 Ų134.180%0.79981%0.813SS**  -179.5136.6128.5-100.9175.711.100111.5
719L39.1Very low39.3Very low146 Ų146135.9 Ų135.976%0.76481%0.805SS**  trans49.8105.5146-56.4164.6000117.3
720V37.2Very low39.5Very low132 Ų132135.2 Ų135.280%0.880%0.801SS**  cis73.786.347-170.20000114.4
721T41.2Very low39.8Very low151 Ų151135.6 Ų135.693%0.92680%0.802SS**  trans163.7144.8149.138.40000106.9
722G37.1Very low39.7Very low83 Ų83137.1 Ų137.186%0.85680%0.801SS**  cis150.192.8-3.300000111.3
723G37.9Very low40Very low77 Ų77140.2 Ų140.279%0.79481%0.81SS**  trans163.5132.6-179.800000113.7
724P43.2Very low39.7Very low116 Ų116133.9 Ų133.975%0.75380%0.803SS**  trans-119.8141.8-170.339.2-28.8000117.7
725S37.3Very low39.9Very low116 Ų116131.5 Ų131.581%0.81180%0.8SS**  trans61.3173.6139.4-510000119.9
726P45.6Very low39.8Very low112 Ų112132.2 Ų132.273%0.72780%0.803SS**  cis-131.7172.4-5.643.7-28.3000116.9
727S38.7Very low39.8Very low96 Ų96130.2 Ų130.267%0.67180%0.8SS**  trans28.4131.2145.2620000124.1
728H43.2Very low39.6Very low182 Ų182126.8 Ų126.884%0.84380%0.797SS**  -151.9172.7109.8-144.8-90.4000112.2
729D41.5Very low39.7Very low109 Ų109123 Ų12358%0.58380%0.795SS**  trans-104155.8-147.9-77.8-75.4000120.3
730L40.1Very low39.9Very low145 Ų145121.9 Ų121.976%0.75979%0.794SS**  trans32.6111.5136.1-54.7167.2000120.2
731K40.5Very low40.7Very low206 Ų206127 Ų12790%0.89680%0.799SS**  176.4147.3104.1-96.7166.9-178.31730113.8
732T37.4Very low41Very low134 Ų134124.6 Ų124.682%0.82279%0.788SS**  trans-112.4173164.852.20000109
733P43.1Very low42.2Very low128 Ų128123.9 Ų123.983%0.83177%0.765SS**  cis-121.6165.1-7.638.8-25.2000114.1
734G38.5Very low43.9Very low74 Ų74126.1 Ų126.176%0.76376%0.756SS**  trans-155.6138.6171.100000112
735V38.7Very low45.4Very low148 Ų148125.5 Ų125.590%0.89775%0.752SS**  trans-101.992.5-168.4-178.40000112
736V38.2Very low47.4Very low150 Ų150126 Ų12691%0.90974%0.741SS**  trans-159.7154.5159.5-116.10000112.7
737G37.8Very low49.1Very low70 Ų70125 Ų12572%0.72273%0.727SS**  trans85.285.1151.500000118.2A739G737-A739 PolarHBondContact O-N 3.49Å
738S35.3Very low51Low116 Ų116125.3 Ų125.381%0.81172%0.72SS**  trans-76.286.9167.3176.90000111.8V740S738-V740 PolarHBondContact O-N 3.12Å
739A43.1Very low53Low91 Ų91121.7 Ų121.775%0.75271%0.707SS**  trans-72.691176.500000112.3G737 R741G737-A739 PolarHBondContact O-N 3.49Å; A739-R741 PolarHBondContact O-N 2.71Å
740V43.2Very low55.3Low123 Ų123122.5 Ų122.575%0.74571%0.705SS**  trans-64.6102.6173.9179.80000109.6S738 S742S738-V740 PolarHBondContact O-N 3.12Å; V740-S742 VanDerWaalsContact C-N 3.28Å; V740-S742 PolarHBondContact O-N 3.19Å
741R53.3Low57.4Low240 Ų240123.1 Ų123.191%0.90670%0.697SS**  trans-67.788.2168.7-74.6-170.9174.5-164.4-1.5109.7A739 L743A739-R741 PolarHBondContact O-N 2.71Å; R741-L743 PolarHBondContact O-N 3.45Å; R741-L743 VanDerWaalsContact O-N 3.09Å
742S48.4Very low59.7Low100 Ų100122 Ų12270%0.69969%0.687SS**  trans-58.4110171-168.90000109.3V740 M744V740-S742 VanDerWaalsContact C-N 3.28Å; V740-S742 PolarHBondContact O-N 3.19Å; S742-M744 PolarHBondContact O-N 3.25Å
743L60.6Low62.3Low69 Ų69118.7 Ų118.736%0.36167%0.667SS.*  trans-57.1131.5171.2-80.1163.5000108.4R741 E747 L748R741-L743 PolarHBondContact O-N 3.45Å; R741-L743 VanDerWaalsContact O-N 3.09Å; L743-E747 HydrophobicContact CD2-CB 4.46Å; L743-L748 HydrophobicContact CB-CD1 3.65Å; L743-L748 HydrophobicContact CD1-CD1 3.93Å; L743-L748 HydrophobicContact CG-CD1 4.45Å
744M75.2Confident64.5Low124 Ų124118.9 Ų118.961%0.61166%0.657SS**  trans-57.8143-177.3-86.5-71.5143.800110.2S742 Q746 E747 L748S742-M744 PolarHBondContact O-N 3.25Å; M744-Q746 PolarHBondContact O-N 2.97Å; M744-E747 HydrophobicContact CB-CG 4.03Å; M744-E747 PolarHBondContact N-OE2 2.92Å; M744-E747 WeakPolarHBondContact O-CA 3.46Å; M744-E747 WeakPolarHBondContact O-CB 3.1Å; M744-E747 PolarHBondContact O-N 3.27Å; M744-L748 PolarHBondContact O-N 2.64Å
745P74.4Confident66.8Low102 Ų102119 Ų11966%0.66265%0.646SS**Hα-helixtrans-52.5-33.4-177.6-29.535.8000113.3L748 L749P745-L748 PolarHBondContact O-N 2.77Å; P745-L749 WeakPolarHBondContact O-CB 3.35Å; P745-L749 PolarHBondContact O-N 2.67Å
746Q78.4Confident69.2Low128 Ų128117.9 Ų117.960%0.59863%0.631SS**Hα-helixtrans-69.6-32.7175.4-156.1-167.270.900113.5M744 K750M744-Q746 PolarHBondContact O-N 2.97Å; Q746-K750 WeakPolarHBondContact O-CB 3.37Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.48Å; Q746-K750 PolarHBondContact O-N 2.85Å
747E80.6Confident71.6Confident89 Ų89116.2 Ų116.242%0.41662%0.617SS.*Hα-helixtrans-73.5-39.9173.8-61.9-178.1118.100111.5L743 M744 L749 K750 R751L743-E747 HydrophobicContact CD2-CB 4.46Å; M744-E747 HydrophobicContact CB-CG 4.03Å; M744-E747 PolarHBondContact N-OE2 2.92Å; M744-E747 WeakPolarHBondContact O-CA 3.46Å; M744-E747 WeakPolarHBondContact O-CB 3.1Å; M744-E747 PolarHBondContact O-N 3.27Å; E747-L749 VanDerWaalsContact C-N 3.29Å; E747-L749 PolarHBondContact O-N 3.32Å; E747-K750 PolarHBondContact O-N 3.25Å; E747-R751 WeakPolarHBondContact O-CB 3.48Å; E747-R751 PolarHBondContact O-N 3.43Å
748L78.8Confident74.1Confident103 Ų103116.3 Ų116.354%0.53960%0.603SS.*Hα-helixtrans-58.2-44.7172.6-132.578.5000110.4L743 M744 P745 R752L743-L748 HydrophobicContact CB-CD1 3.65Å; L743-L748 HydrophobicContact CD1-CD1 3.93Å; L743-L748 HydrophobicContact CG-CD1 4.45Å; M744-L748 PolarHBondContact O-N 2.64Å; P745-L748 PolarHBondContact O-N 2.77Å; L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 PolarHBondContact O-N 2.99Å
749L85.6Confident76.8Confident107 Ų107118.5 Ų118.556%0.5660%0.598SS**Hα-helixtrans-63.7-48.5175.1-176.661.1000112.1P745 E747 R751 R752 V753P745-L749 WeakPolarHBondContact O-CB 3.35Å; P745-L749 PolarHBondContact O-N 2.67Å; E747-L749 VanDerWaalsContact C-N 3.29Å; E747-L749 PolarHBondContact O-N 3.32Å; L749-R751 PolarHBondContact O-N 3.45Å; L749-R752 WeakPolarHBondContact O-CB 3.45Å; L749-R752 PolarHBondContact O-N 3.03Å; L749-R752 VanDerWaalsContact O-N 3.12Å; L749-V753 HydrophobicContact CD1-CG2 4.34Å; L749-V753 WeakPolarHBondContact O-CG2 3.45Å; L749-V753 PolarHBondContact O-N 3.23Å
750K89.4Confident78.9Confident125 Ų125116.5 Ų116.554%0.54358%0.582SS.*Hα-helixtrans-55.3-47.6176.1-78.4164.7175.3165.40111.7Q746 E747 R752 V753 Q754Q746-K750 WeakPolarHBondContact O-CB 3.37Å; Q746-K750 VanDerWaalsContact O-CG 3.26Å; Q746-K750 WeakPolarHBondContact O-CG 3.48Å; Q746-K750 PolarHBondContact O-N 2.85Å; E747-K750 PolarHBondContact O-N 3.25Å; K750-R752 PolarHBondContact O-N 3.36Å; K750-V753 PolarHBondContact O-N 2.91Å; K750-Q754 WeakPolarHBondContact O-CB 3.49Å; K750-Q754 PolarHBondContact O-N 3.32Å
751R85.2Confident81.2Confident158 Ų158117 Ų11760%0.59657%0.574SS**Hα-helixtrans-63.4-38.5175.8-76.9-176.3169.6-170.4-2.1112.5E747 L749 S755E747-R751 WeakPolarHBondContact O-CB 3.48Å; E747-R751 PolarHBondContact O-N 3.43Å; L749-R751 PolarHBondContact O-N 3.45Å; R751-S755 VanDerWaalsContact O-CB 3.28Å; R751-S755 WeakPolarHBondContact O-CB 3.32Å; R751-S755 PolarHBondContact O-N 2.9Å
752R89.3Confident82.9Confident182 Ų182109.9 Ų109.969%0.68755%0.554SS**Hα-helixtrans-65.3-43.2177.2-162.4174.5-165.7165.93.6111.9L748 L749 K750 S755 Q756L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 PolarHBondContact O-N 2.99Å; L749-R752 WeakPolarHBondContact O-CB 3.45Å; L749-R752 PolarHBondContact O-N 3.03Å; L749-R752 VanDerWaalsContact O-N 3.12Å; K750-R752 PolarHBondContact O-N 3.36Å; R752-S755 PolarHBondContact O-N 3.48Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 3.26Å
753V91.1Very high84.8Confident66 Ų66107.8 Ų107.840%0.454%0.543SS..Hα-helixtrans-65.4-46.81751730000111L749 K750 S755 Q756 L757L749-V753 HydrophobicContact CD1-CG2 4.34Å; L749-V753 WeakPolarHBondContact O-CG2 3.45Å; L749-V753 PolarHBondContact O-N 3.23Å; K750-V753 PolarHBondContact O-N 2.91Å; V753-S755 VanDerWaalsContact C-N 3.3Å; V753-S755 PolarHBondContact O-N 3.45Å; V753-Q756 PolarHBondContact O-N 2.9Å; V753-Q756 VanDerWaalsContact O-N 3.14Å; V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.38Å; V753-L757 PolarHBondContact O-N 3.25Å
754Q89.2Confident86Confident131 Ų131110 Ų11061%0.61256%0.555SS**Hα-helixtrans-60.9-38.4177.4-169.8-179.815.100112.3K750 L757 T758K750-Q754 WeakPolarHBondContact O-CB 3.49Å; K750-Q754 PolarHBondContact O-N 3.32Å; Q754-L757 PolarHBondContact O-N 2.88Å; Q754-T758 WeakPolarHBondContact O-CB 3.41Å; Q754-T758 PolarHBondContact O-N 3.42Å; Q754-T758 PolarHBondContact O-OG1 2.89Å
755S86.5Confident86.7Confident78 Ų78110.3 Ų110.355%0.54555%0.553SS.*Hα-helixtrans-64.4-42.8173.5-1770000112.1R751 R752 V753 T758 K759R751-S755 VanDerWaalsContact O-CB 3.28Å; R751-S755 WeakPolarHBondContact O-CB 3.32Å; R751-S755 PolarHBondContact O-N 2.9Å; R752-S755 PolarHBondContact O-N 3.48Å; V753-S755 VanDerWaalsContact C-N 3.3Å; V753-S755 PolarHBondContact O-N 3.45Å; S755-T758 PolarHBondContact O-N 2.98Å; S755-K759 WeakPolarHBondContact O-CB 3.43Å; S755-K759 PolarHBondContact O-N 3.12Å
756Q88.8Confident87.5Confident124 Ų124112.1 Ų112.158%0.57955%0.55SS**Hα-helixtrans-63-44.7174-75.7178.7-13.400112.5R752 V753 T758 K759 A760R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 3.26Å; V753-Q756 PolarHBondContact O-N 2.9Å; V753-Q756 VanDerWaalsContact O-N 3.14Å; Q756-T758 PolarHBondContact O-N 3.18Å; Q756-K759 PolarHBondContact O-N 3.02Å; Q756-A760 WeakPolarHBondContact O-CB 3.45Å; Q756-A760 PolarHBondContact O-N 3.09Å
757L88.8Confident87.9Confident115 Ų115107.9 Ų107.960%0.60254%0.537SS*.Hα-helixtrans-61.2-43.1175.8-70.5171.8000111.8V753 Q754 K759 A760 F761V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.38Å; V753-L757 PolarHBondContact O-N 3.25Å; Q754-L757 PolarHBondContact O-N 2.88Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.82Å; L757-A760 PolarHBondContact O-N 3.22Å; L757-F761 WeakPolarHBondContact O-CB 3.27Å; L757-F761 PolarHBondContact O-N 2.86Å
758T90.4Very high88.1Confident72 Ų72108.1 Ų108.144%0.44254%0.538SS..Hα-helixtrans-64.7-38.9176.4-52.90000111.4Q754 S755 Q756 N762Q754-T758 WeakPolarHBondContact O-CB 3.41Å; Q754-T758 PolarHBondContact O-N 3.42Å; Q754-T758 PolarHBondContact O-OG1 2.89Å; S755-T758 PolarHBondContact O-N 2.98Å; Q756-T758 PolarHBondContact O-N 3.18Å; T758-N762 WeakPolarHBondContact O-CB 3.13Å; T758-N762 VanDerWaalsContact O-CG 3.3Å; T758-N762 PolarHBondContact O-N 2.67Å; T758-N762 PolarHBondContact O-ND2 3.29Å
759K91.8Very high88.3Confident161 Ų161107.5 Ų107.570%0.754%0.535SS*.Hα-helixtrans-66.8-39.5175.3-172.4177.4180-1790112S755 Q756 L757 A763S755-K759 WeakPolarHBondContact O-CB 3.43Å; S755-K759 PolarHBondContact O-N 3.12Å; Q756-K759 PolarHBondContact O-N 3.02Å; L757-K759 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.82Å; K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.12Å
760A88.3Confident88.3Confident50 Ų50108.2 Ų108.241%0.41354%0.535SS..Hα-helixtrans-64.8-50.8175.100000111.3Q756 L757 N762 A763 D764Q756-A760 WeakPolarHBondContact O-CB 3.45Å; Q756-A760 PolarHBondContact O-N 3.09Å; L757-A760 PolarHBondContact O-N 3.22Å; A760-N762 VanDerWaalsContact C-N 3.3Å; A760-N762 PolarHBondContact O-N 3.17Å; A760-A763 WeakPolarHBondContact O-CA 3.38Å; A760-A763 WeakPolarHBondContact O-CB 3.39Å; A760-A763 PolarHBondContact O-N 3.3Å; A760-D764 PolarHBondContact O-N 3.03Å
761F90.6Very high88.2Confident133 Ų133107.7 Ų107.758%0.58353%0.533SS*.Hα-helixtrans-56.4-42.1176.8179.8-98000112.8L757 K765L757-F761 WeakPolarHBondContact O-CB 3.27Å; L757-F761 PolarHBondContact O-N 2.86Å; F761-K765 WeakPolarHBondContact O-CB 3.35Å; F761-K765 PolarHBondContact O-N 3.4Å
762N88.9Confident87.9Confident91 Ų91105.4 Ų105.449%0.48753%0.529SS..Hα-helixtrans-70-31.6175.8-73.4-26.2000112.9T758 A760 K766T758-N762 WeakPolarHBondContact O-CB 3.13Å; T758-N762 VanDerWaalsContact O-CG 3.3Å; T758-N762 PolarHBondContact O-N 2.67Å; T758-N762 PolarHBondContact O-ND2 3.29Å; A760-N762 VanDerWaalsContact C-N 3.3Å; A760-N762 PolarHBondContact O-N 3.17Å; N762-K766 WeakPolarHBondContact O-CB 3.45Å; N762-K766 PolarHBondContact O-N 3.01Å
763A88Confident87.7Confident55 Ų55101 Ų10146%0.45552%0.518SS..Hα-helixtrans-69.3-44.5173.600000111.5K759 A760 K766 A767K759-A763 WeakPolarHBondContact O-CB 3.44Å; K759-A763 PolarHBondContact O-N 3.12Å; A760-A763 WeakPolarHBondContact O-CA 3.38Å; A760-A763 WeakPolarHBondContact O-CB 3.39Å; A760-A763 PolarHBondContact O-N 3.3Å; A763-K766 PolarHBondContact O-N 2.83Å; A763-A767 WeakPolarHBondContact O-CB 3.38Å; A763-A767 PolarHBondContact O-N 3.36Å
764D87.2Confident87.5Confident115 Ų115103 Ų10362%0.61552%0.523SS*.Hα-helixtrans-64.7-43.9176.3-72.9-22.8000111.5A760 K766 A767 E768A760-D764 PolarHBondContact O-N 3.03Å; D764-K766 VanDerWaalsContact C-N 3.29Å; D764-K766 PolarHBondContact O-N 3.07Å; D764-A767 PolarHBondContact O-N 2.81Å; D764-A767 VanDerWaalsContact O-N 3.15Å; D764-E768 PolarHBondContact O-N 3.14Å
765K89.5Confident87.1Confident131 Ų131102 Ų10257%0.5752%0.522SS*.Hα-helixtrans-60.3-38.4174.5-172.9173.2-179178.50111.9F761 L769F761-K765 WeakPolarHBondContact O-CB 3.35Å; F761-K765 PolarHBondContact O-N 3.4Å; K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 2.89Å
766K91Very high86.7Confident140 Ų140101.8 Ų101.861%0.60951%0.512SS*.Hα-helixtrans-67.4-44.5173-176.9-177.1173-172.80111.6N762 A763 D764 E768 L769 E770N762-K766 WeakPolarHBondContact O-CB 3.45Å; N762-K766 PolarHBondContact O-N 3.01Å; A763-K766 PolarHBondContact O-N 2.83Å; D764-K766 VanDerWaalsContact C-N 3.29Å; D764-K766 PolarHBondContact O-N 3.07Å; K766-E768 VanDerWaalsContact C-N 3.31Å; K766-E768 PolarHBondContact O-N 3Å; K766-L769 PolarHBondContact O-N 3.41Å; K766-E770 WeakPolarHBondContact O-CB 3.44Å; K766-E770 PolarHBondContact O-N 3.17Å
767A87.4Confident86.3Confident40 Ų40102.8 Ų102.833%0.33151%0.511SS..Hα-helixtrans-64.6-33.9-179.100000112.4A763 D764 E770 K771A763-A767 WeakPolarHBondContact O-CB 3.38Å; A763-A767 PolarHBondContact O-N 3.36Å; D764-A767 PolarHBondContact O-N 2.81Å; D764-A767 VanDerWaalsContact O-N 3.15Å; A767-E770 PolarHBondContact O-N 3.3Å; A767-K771 WeakPolarHBondContact O-CG 3.47Å; A767-K771 PolarHBondContact O-N 3.27Å
768E84.5Confident86Confident94 Ų94102 Ų10244%0.43950%0.504SS..Hα-helixtrans-72.2-40.9175.4-158.461-150.300112.1D764 K766 E770 K771 Q772D764-E768 PolarHBondContact O-N 3.14Å; K766-E768 VanDerWaalsContact C-N 3.31Å; K766-E768 PolarHBondContact O-N 3Å; E768-E770 VanDerWaalsContact C-N 3.3Å; E768-E770 PolarHBondContact O-N 2.97Å; E768-K771 WeakPolarHBondContact O-CB 3.27Å; E768-K771 PolarHBondContact O-N 2.93Å; E768-K771 WeakPolarHBondContact OE2-CD 3.37Å; E768-K771 WeakPolarHBondContact OE2-CE 3.37Å; E768-K771 IonicContact OE2-NZ 2.72Å; E768-K771 PolarHBondContact OE2-NZ 2.86Å; E768-Q772 WeakPolarHBondContact O-CG 3.28Å; E768-Q772 PolarHBondContact O-N 3.4Å
769L82.6Confident85.6Confident89 Ų89104.4 Ų104.447%0.46651%0.505SS..Hα-helixtrans-60.7-39.3170.9-72.2168.9000111.8K765 K766 Q772 I773K765-L769 WeakPolarHBondContact O-CG 3.45Å; K765-L769 PolarHBondContact O-N 2.89Å; K766-L769 PolarHBondContact O-N 3.41Å; L769-Q772 PolarHBondContact O-N 2.97Å; L769-I773 WeakPolarHBondContact O-CG1 3.44Å; L769-I773 PolarHBondContact O-N 3.41Å
770E85.5Confident85.1Confident122 Ų122102.2 Ų102.257%0.5750%0.497SS*.Hα-helixtrans-67-36.6176.8-169.1163.9-179.100112.2K766 A767 E768 Q774K766-E770 WeakPolarHBondContact O-CB 3.44Å; K766-E770 PolarHBondContact O-N 3.17Å; A767-E770 PolarHBondContact O-N 3.3Å; E768-E770 VanDerWaalsContact C-N 3.3Å; E768-E770 PolarHBondContact O-N 2.97Å; E770-Q774 VanDerWaalsContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CB 3.4Å; E770-Q774 PolarHBondContact O-N 2.98Å
771K87.4Confident84.8Confident115 Ų115102.9 Ų102.950%0.550%0.502SS..Hα-helixtrans-63.6-42.5169.6-70.5172-151.2160.30112.5A767 E768 Q774 L775A767-K771 WeakPolarHBondContact O-CG 3.47Å; A767-K771 PolarHBondContact O-N 3.27Å; E768-K771 WeakPolarHBondContact O-CB 3.27Å; E768-K771 PolarHBondContact O-N 2.93Å; E768-K771 WeakPolarHBondContact OE2-CD 3.37Å; E768-K771 WeakPolarHBondContact OE2-CE 3.37Å; E768-K771 IonicContact OE2-NZ 2.72Å; E768-K771 PolarHBondContact OE2-NZ 2.86Å; K771-Q774 PolarHBondContact O-N 3.1Å; K771-L775 PolarHBondContact O-N 3.09Å
772Q79.6Confident84.1Confident110 Ų110103.1 Ų103.151%0.51450%0.499SS..Hα-helixtrans-61.9-49.9177.6-74.3179.2-19.600110.9E768 L769 Q774 L775 E776E768-Q772 WeakPolarHBondContact O-CG 3.28Å; E768-Q772 PolarHBondContact O-N 3.4Å; L769-Q772 PolarHBondContact O-N 2.97Å; Q772-Q774 PolarHBondContact O-N 3.44Å; Q772-L775 PolarHBondContact O-N 3.06Å; Q772-L775 VanDerWaalsContact O-N 3.14Å; Q772-E776 PolarHBondContact O-N 2.87Å
773I84.7Confident83.7Confident88 Ų88102.8 Ų102.845%0.45150%0.495SS..Hα-helixtrans-58.2-37175.2-68.2165.1000111.4L769 R777L769-I773 WeakPolarHBondContact O-CG1 3.44Å; L769-I773 PolarHBondContact O-N 3.41Å; I773-R777 WeakPolarHBondContact O-CB 3.45Å; I773-R777 VanDerWaalsContact O-CG 3.29Å; I773-R777 WeakPolarHBondContact O-CG 3.47Å; I773-R777 PolarHBondContact O-N 3.38Å
774Q86.2Confident83.4Confident109 Ų109104.2 Ų104.251%0.50949%0.492SS..Hα-helixtrans-72.7-35.5178.2-170.160.421.200113E770 K771 Q772 E778E770-Q774 VanDerWaalsContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CB 3.4Å; E770-Q774 PolarHBondContact O-N 2.98Å; K771-Q774 PolarHBondContact O-N 3.1Å; Q772-Q774 PolarHBondContact O-N 3.44Å; Q774-E778 PolarHBondContact O-N 2.84Å
775L82Confident83.3Confident111 Ų111100.5 Ų100.558%0.58148%0.481SS*.Hα-helixtrans-65.7-42.1170.9-88.3166.6000111.7K771 Q772 R777 E778 R779K771-L775 PolarHBondContact O-N 3.09Å; Q772-L775 PolarHBondContact O-N 3.06Å; Q772-L775 VanDerWaalsContact O-N 3.14Å; L775-R777 PolarHBondContact O-N 3.23Å; L775-E778 PolarHBondContact O-N 3.33Å; L775-E778 VanDerWaalsContact O-N 3.12Å; L775-R779 PolarHBondContact O-N 3.15Å
776E77.7Confident82.8Confident72 Ų7299 Ų9934%0.33648%0.479SS..Hα-helixtrans-61-44.4176.8-154.365.3-107.500111.2Q772 E778 R779 Q780Q772-E776 PolarHBondContact O-N 2.87Å; E776-E778 VanDerWaalsContact C-N 3.31Å; E776-E778 PolarHBondContact O-N 2.92Å; E776-R779 WeakPolarHBondContact O-CB 3.44Å; E776-R779 PolarHBondContact O-N 3.02Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 IonicContact OE1-CZ 3.47Å; E776-R779 IonicContact OE1-NE 3.5Å; E776-R779 IonicContact OE1-NH1 2.85Å; E776-R779 PolarHBondContact OE1-NH1 3.23Å; E776-R779 IonicContact OE2-NH1 2.68Å; E776-Q780 WeakPolarHBondContact O-CB 3.31Å; E776-Q780 VanDerWaalsContact O-CG 3.31Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.92Å
777R81.2Confident82.3Confident146 Ų14699.1 Ų99.155%0.55148%0.475SS*.Hα-helixtrans-62.5-35.6173.2-74.3170.6179160.41.6112.8I773 L775 A781I773-R777 WeakPolarHBondContact O-CB 3.45Å; I773-R777 VanDerWaalsContact O-CG 3.29Å; I773-R777 WeakPolarHBondContact O-CG 3.47Å; I773-R777 PolarHBondContact O-N 3.38Å; L775-R777 PolarHBondContact O-N 3.23Å; R777-A781 VanDerWaalsContact O-CB 3.25Å; R777-A781 WeakPolarHBondContact O-CB 3.44Å; R777-A781 PolarHBondContact O-N 2.95Å
778E81.8Confident82.1Confident99 Ų99104 Ų10446%0.46349%0.485SS..Hα-helixtrans-72.3-38.6176.9-153.4-164.7109.200112Q774 L775 E776 A781 R782Q774-E778 PolarHBondContact O-N 2.84Å; L775-E778 PolarHBondContact O-N 3.33Å; L775-E778 VanDerWaalsContact O-N 3.12Å; E776-E778 VanDerWaalsContact C-N 3.31Å; E776-E778 PolarHBondContact O-N 2.92Å; E778-A781 PolarHBondContact O-N 3.03Å; E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 2.89Å; E778-R782 IonicContact OE1-CZ 3.63Å; E778-R782 IonicContact OE1-NE 2.8Å; E778-R782 PolarHBondContact OE1-NE 3.27Å; E778-R782 IonicContact OE1-NH2 3.54Å; E778-R782 PolarHBondContact OE1-NH2 2.97Å
779R82.9Confident81.9Confident122 Ų122105 Ų10546%0.4649%0.49SS..Hα-helixtrans-57.3-54.1170.2-179.3-163.8-177.6-1741.7110.2E664 L775 E776 A781 R782 E783E664-R779 IonicContact OE1-CZ 2.71Å; E664-R779 VanDerWaalsContact OE1-CZ 3.27Å; E664-R779 IonicContact OE1-NH1 3.21Å; E664-R779 PolarHBondContact OE1-NH1 3.14Å; E664-R779 IonicContact OE1-NH2 3.19Å; E664-R779 PolarHBondContact OE1-NH2 3.26Å; L775-R779 PolarHBondContact O-N 3.15Å; E776-R779 WeakPolarHBondContact O-CB 3.44Å; E776-R779 PolarHBondContact O-N 3.02Å; E776-R779 WeakPolarHBondContact OE1-CD 3.46Å; E776-R779 IonicContact OE1-CZ 3.47Å; E776-R779 IonicContact OE1-NE 3.5Å; E776-R779 IonicContact OE1-NH1 2.85Å; E776-R779 PolarHBondContact OE1-NH1 3.23Å; E776-R779 IonicContact OE2-NH1 2.68Å; R779-A781 VanDerWaalsContact C-N 3.34Å; R779-A781 PolarHBondContact O-N 3.18Å; R779-R782 PolarHBondContact O-N 3.5Å; R779-E783 PolarHBondContact O-N 3.04Å
780Q79.7Confident81.8Confident114 Ų114103 Ų10353%0.53349%0.486SS..Hα-helixtrans-59.3-40.7178-71.5174.91.300112.6E776 E783 E784E776-Q780 WeakPolarHBondContact O-CB 3.31Å; E776-Q780 VanDerWaalsContact O-CG 3.31Å; E776-Q780 WeakPolarHBondContact O-CG 3.27Å; E776-Q780 PolarHBondContact O-N 2.92Å; Q780-E783 PolarHBondContact O-N 3.42Å; Q780-E784 WeakPolarHBondContact O-CB 3.27Å; Q780-E784 PolarHBondContact O-N 3.02Å
781A82.7Confident81.5Confident64 Ų64105.1 Ų105.153%0.52949%0.489SS..Hα-helixtrans-67.2-36177.800000113R777 E778 R779 G785R777-A781 VanDerWaalsContact O-CB 3.25Å; R777-A781 WeakPolarHBondContact O-CB 3.44Å; R777-A781 PolarHBondContact O-N 2.95Å; E778-A781 PolarHBondContact O-N 3.03Å; R779-A781 VanDerWaalsContact C-N 3.34Å; R779-A781 PolarHBondContact O-N 3.18Å; A781-G785 PolarHBondContact O-N 3.03Å
782R76.5Confident81.5Confident138 Ų138104.8 Ų104.852%0.52149%0.492SS..Hα-helixtrans-67.2-45.3172.3-73.8-172.7-112.2119.9-4.7111.2E778 R779 E784 G785 L786E778-R782 WeakPolarHBondContact O-CG 3.32Å; E778-R782 PolarHBondContact O-N 2.89Å; E778-R782 IonicContact OE1-CZ 3.63Å; E778-R782 IonicContact OE1-NE 2.8Å; E778-R782 PolarHBondContact OE1-NE 3.27Å; E778-R782 IonicContact OE1-NH2 3.54Å; E778-R782 PolarHBondContact OE1-NH2 2.97Å; R779-R782 PolarHBondContact O-N 3.5Å; R782-E784 PolarHBondContact O-N 3.46Å; R782-G785 WeakPolarHBondContact O-CA 3.46Å; R782-G785 PolarHBondContact O-N 3.49Å; R782-G785 VanDerWaalsContact O-N 3.15Å; R782-L786 PolarHBondContact O-N 3.24Å
783E79.9Confident81.5Confident84 Ų84104.3 Ų104.339%0.39349%0.492SS..Hα-helixtrans-63.8-40.8178.1-154.1-148.8153.100112.2R779 Q780 G785 L786 R787R779-E783 PolarHBondContact O-N 3.04Å; Q780-E783 PolarHBondContact O-N 3.42Å; E783-G785 VanDerWaalsContact C-N 3.26Å; E783-G785 PolarHBondContact O-N 3.06Å; E783-L786 PolarHBondContact O-N 2.97Å; E783-R787 WeakPolarHBondContact O-CB 3.47Å; E783-R787 WeakPolarHBondContact O-CG 3.44Å; E783-R787 PolarHBondContact O-N 3.1Å; E783-R787 IonicContact OE1-CZ 3.18Å; E783-R787 IonicContact OE1-NE 2.73Å; E783-R787 PolarHBondContact OE1-NE 2.99Å; E783-R787 IonicContact OE1-NH2 3.58Å; E783-R787 PolarHBondContact OE1-NH2 2.99Å; E783-R787 IonicContact OE2-NH2 3.81Å
784E81Confident81.1Confident86 Ų86108.9 Ų108.940%0.40250%0.504SS..Hα-helixtrans-65.5-31.9175.3-144.3-135.8138.200111.7Q780 R782 R788Q780-E784 WeakPolarHBondContact O-CB 3.27Å; Q780-E784 PolarHBondContact O-N 3.02Å; R782-E784 PolarHBondContact O-N 3.46Å; E784-R788 VanDerWaalsContact CD-NE 3.35Å; E784-R788 WeakPolarHBondContact O-CB 3.47Å; E784-R788 WeakPolarHBondContact O-CG 3.48Å; E784-R788 PolarHBondContact O-N 3.06Å; E784-R788 IonicContact OE1-CZ 3.56Å; E784-R788 IonicContact OE1-NE 3.67Å; E784-R788 PolarHBondContact OE1-NE 3.42Å; E784-R788 IonicContact OE1-NH2 2.83Å; E784-R788 PolarHBondContact OE1-NH2 2.91Å; E784-R788 IonicContact OE2-CZ 3.28Å; E784-R788 IonicContact OE2-NE 2.81Å; E784-R788 IonicContact OE2-NH2 2.97Å; E784-R788 PolarHBondContact OE2-NH2 2.83Å
785G86.2Confident80.8Confident36 Ų36111.6 Ų111.637%0.37151%0.51SS..Hα-helixtrans-60.4-50.9170.200000112.6A781 R782 E783 R788 Q789A781-G785 PolarHBondContact O-N 3.03Å; R782-G785 WeakPolarHBondContact O-CA 3.46Å; R782-G785 PolarHBondContact O-N 3.49Å; R782-G785 VanDerWaalsContact O-N 3.15Å; E783-G785 VanDerWaalsContact C-N 3.26Å; E783-G785 PolarHBondContact O-N 3.06Å; G785-R788 WeakPolarHBondContact O-CB 3.35Å; G785-R788 PolarHBondContact O-N 3.29Å; G785-Q789 PolarHBondContact O-N 3.37Å
786L79.2Confident80.9Confident101 Ų101112.4 Ų112.453%0.52951%0.511SS..Hα-helixtrans-59.6-47.7174.5-78157.4000111.6R782 E783 R788 Q789 A790R782-L786 PolarHBondContact O-N 3.24Å; E783-L786 PolarHBondContact O-N 2.97Å; L786-R788 VanDerWaalsContact C-N 3.3Å; L786-R788 PolarHBondContact O-N 3.05Å; L786-Q789 PolarHBondContact O-N 3.27Å; L786-Q789 VanDerWaalsContact O-N 3.1Å; L786-A790 PolarHBondContact O-N 2.89Å
787R79.8Confident80.9Confident141 Ų141114.7 Ų114.753%0.53252%0.521SS..Hα-helixtrans-59.5-36.4175.3-71178.7-180-154.81.8112.4E783 R791E783-R787 WeakPolarHBondContact O-CB 3.47Å; E783-R787 WeakPolarHBondContact O-CG 3.44Å; E783-R787 PolarHBondContact O-N 3.1Å; E783-R787 IonicContact OE1-CZ 3.18Å; E783-R787 IonicContact OE1-NE 2.73Å; E783-R787 PolarHBondContact OE1-NE 2.99Å; E783-R787 IonicContact OE1-NH2 3.58Å; E783-R787 PolarHBondContact OE1-NH2 2.99Å; E783-R787 IonicContact OE2-NH2 3.81Å; R787-R791 WeakPolarHBondContact O-CB 3.46Å; R787-R791 VanDerWaalsContact O-CG 3.27Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.24Å
788R83.6Confident80.8Confident142 Ų142113.5 Ų113.554%0.53652%0.522SS..Hα-helixtrans-67.3-41.2173.6-76.5170.7-174.2-163.511.7111.8E784 G785 L786 R791 L792E784-R788 VanDerWaalsContact CD-NE 3.35Å; E784-R788 WeakPolarHBondContact O-CB 3.47Å; E784-R788 WeakPolarHBondContact O-CG 3.48Å; E784-R788 PolarHBondContact O-N 3.06Å; E784-R788 IonicContact OE1-CZ 3.56Å; E784-R788 IonicContact OE1-NE 3.67Å; E784-R788 PolarHBondContact OE1-NE 3.42Å; E784-R788 IonicContact OE1-NH2 2.83Å; E784-R788 PolarHBondContact OE1-NH2 2.91Å; E784-R788 IonicContact OE2-CZ 3.28Å; E784-R788 IonicContact OE2-NE 2.81Å; E784-R788 IonicContact OE2-NH2 2.97Å; E784-R788 PolarHBondContact OE2-NH2 2.83Å; G785-R788 WeakPolarHBondContact O-CB 3.35Å; G785-R788 PolarHBondContact O-N 3.29Å; L786-R788 VanDerWaalsContact C-N 3.3Å; L786-R788 PolarHBondContact O-N 3.05Å; R788-R791 PolarHBondContact O-N 3.48Å; R788-L792 WeakPolarHBondContact O-CG 3.42Å; R788-L792 PolarHBondContact O-N 3.15Å; R788-L792 VanDerWaalsContact O-N 3.09Å
789Q79.5Confident80.8Confident116 Ų116116.2 Ų116.254%0.54253%0.532SS..Hα-helixtrans-66.8-43.1175.9-175.2168.8-19.800112.1G785 L786 R791 L792 L793G785-Q789 PolarHBondContact O-N 3.37Å; L786-Q789 PolarHBondContact O-N 3.27Å; L786-Q789 VanDerWaalsContact O-N 3.1Å; Q789-R791 VanDerWaalsContact C-N 3.33Å; Q789-R791 PolarHBondContact O-N 2.74Å; Q789-L792 WeakPolarHBondContact O-CA 3.29Å; Q789-L792 WeakPolarHBondContact O-CB 3.25Å; Q789-L792 PolarHBondContact O-N 3.41Å; Q789-L793 PolarHBondContact O-N 2.94Å
790A81.9Confident80.8Confident47 Ų47117 Ų11739%0.38854%0.535SS..Hα-helixtrans-60.4-40.4174.400000112.3L786 L792 L793 R794L786-A790 PolarHBondContact O-N 2.89Å; A790-L792 VanDerWaalsContact C-N 3.29Å; A790-L792 PolarHBondContact O-N 2.86Å; A790-L793 PolarHBondContact O-N 2.9Å; A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 PolarHBondContact O-N 2.89Å
791R77.1Confident80.8Confident167 Ų167115.3 Ų115.363%0.6353%0.529SS*.Hα-helixtrans-64.8-28.1172.2-75.8172175.7175.4-0.3113.3R787 R788 Q789 R795R787-R791 WeakPolarHBondContact O-CB 3.46Å; R787-R791 VanDerWaalsContact O-CG 3.27Å; R787-R791 WeakPolarHBondContact O-CG 3.47Å; R787-R791 PolarHBondContact O-N 3.24Å; R788-R791 PolarHBondContact O-N 3.48Å; Q789-R791 VanDerWaalsContact C-N 3.33Å; Q789-R791 PolarHBondContact O-N 2.74Å; R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 VanDerWaalsContact O-CG 3.32Å; R791-R795 WeakPolarHBondContact O-CG 3.39Å; R791-R795 PolarHBondContact O-N 3.47Å
792L89.3Confident80.6Confident107 Ų107120.1 Ų120.156%0.5653%0.534SS*.Hα-helixtrans-77.2-43.4174.6-75.2168.7000111.9R788 Q789 A790 R795 Q796R788-L792 WeakPolarHBondContact O-CG 3.42Å; R788-L792 PolarHBondContact O-N 3.15Å; R788-L792 VanDerWaalsContact O-N 3.09Å; Q789-L792 WeakPolarHBondContact O-CA 3.29Å; Q789-L792 WeakPolarHBondContact O-CB 3.25Å; Q789-L792 PolarHBondContact O-N 3.41Å; A790-L792 VanDerWaalsContact C-N 3.29Å; A790-L792 PolarHBondContact O-N 2.86Å; L792-R795 PolarHBondContact O-N 3.36Å; L792-Q796 WeakPolarHBondContact O-CG 3.33Å; L792-Q796 PolarHBondContact O-N 3.48Å
793L79.5Confident80.9Confident100 Ų100116.3 Ų116.352%0.52453%0.532SS..Hα-helixtrans-59.5-50.6174.7-73.8171.2000111.2Q789 A790 R795 Q796 E797Q789-L793 PolarHBondContact O-N 2.94Å; A790-L793 PolarHBondContact O-N 2.9Å; L793-R795 PolarHBondContact O-N 2.91Å; L793-Q796 WeakPolarHBondContact O-CA 3.5Å; L793-Q796 WeakPolarHBondContact O-CB 3.43Å; L793-Q796 PolarHBondContact O-N 3.31Å; L793-E797 PolarHBondContact O-N 2.85Å
794R75.7Confident80.9Confident184 Ų184116.3 Ų116.369%0.69453%0.532SS*.Hα-helixtrans-58.2-33.8178.3-155.7-179.5-61.8-166.3-0.9112.5A790 E798A790-R794 WeakPolarHBondContact O-CB 3.45Å; A790-R794 PolarHBondContact O-N 2.89Å; R794-E798 VanDerWaalsContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CB 3.39Å; R794-E798 PolarHBondContact O-N 2.93Å
795R78.7Confident80.7Confident167 Ų167120.1 Ų120.163%0.6354%0.543SS*.Hα-helixtrans-75.8-24.8173.2-80.6177.3169.2-176.6-1.7114.5R791 L792 L793 K799R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 VanDerWaalsContact O-CG 3.32Å; R791-R795 WeakPolarHBondContact O-CG 3.39Å; R791-R795 PolarHBondContact O-N 3.47Å; L792-R795 PolarHBondContact O-N 3.36Å; L793-R795 PolarHBondContact O-N 2.91Å; R795-K799 VanDerWaalsContact O-CG 3.27Å; R795-K799 WeakPolarHBondContact O-CG 3.39Å; R795-K799 PolarHBondContact O-N 3.14Å
796Q84Confident80.2Confident128 Ų128125.5 Ų125.560%0.59855%0.552SS**Hα-helixtrans-77-41.2172-74.9179-12.700110.5L792 L793 K799 R800L792-Q796 WeakPolarHBondContact O-CG 3.33Å; L792-Q796 PolarHBondContact O-N 3.48Å; L793-Q796 WeakPolarHBondContact O-CA 3.5Å; L793-Q796 WeakPolarHBondContact O-CB 3.43Å; L793-Q796 PolarHBondContact O-N 3.31Å; Q796-K799 WeakPolarHBondContact O-CB 3.4Å; Q796-K799 PolarHBondContact O-N 3.01Å; Q796-R800 PolarHBondContact O-N 2.96Å
797E78.2Confident80.2Confident119 Ų119123.2 Ų123.256%0.55655%0.547SS*.Hα-helixtrans-64.4-46.9175.2-177.2169.9-127.200112.3L793 K799 R800 L801L793-E797 PolarHBondContact O-N 2.85Å; E797-K799 VanDerWaalsContact C-N 3.25Å; E797-K799 PolarHBondContact O-N 2.93Å; E797-R800 WeakPolarHBondContact O-CA 3.46Å; E797-R800 WeakPolarHBondContact O-CB 3.36Å; E797-R800 PolarHBondContact O-N 3.48Å; E797-L801 HydrophobicContact CG-CD1 4.17Å; E797-L801 WeakPolarHBondContact O-CG 3.34Å; E797-L801 PolarHBondContact O-N 2.88Å
798E78.8Confident80Confident122 Ų122121.4 Ų121.457%0.5755%0.546SS*.Hα-helixtrans-56.2-40.3172.4-174.3-171.5-178.600111.7R794 R802R794-E798 VanDerWaalsContact O-CB 3.29Å; R794-E798 WeakPolarHBondContact O-CB 3.39Å; R794-E798 PolarHBondContact O-N 2.93Å; E798-R802 VanDerWaalsContact O-CB 3.31Å; E798-R802 WeakPolarHBondContact O-CB 3.41Å; E798-R802 PolarHBondContact O-N 3.4Å
799K82.3Confident79.7Confident155 Ų155116 Ų11667%0.67453%0.531SS*.Hα-helixtrans-67.4-39.1173.9-78.6177.7177.1-171.80112.7R795 Q796 E797 R802 A803R795-K799 VanDerWaalsContact O-CG 3.27Å; R795-K799 WeakPolarHBondContact O-CG 3.39Å; R795-K799 PolarHBondContact O-N 3.14Å; Q796-K799 WeakPolarHBondContact O-CB 3.4Å; Q796-K799 PolarHBondContact O-N 3.01Å; E797-K799 VanDerWaalsContact C-N 3.25Å; E797-K799 PolarHBondContact O-N 2.93Å; K799-R802 PolarHBondContact O-N 3.5Å; K799-A803 WeakPolarHBondContact O-CB 3.38Å; K799-A803 PolarHBondContact O-N 3.46Å
800R82.7Confident79.5Confident139 Ų139115.5 Ų115.553%0.52553%0.532SS..Hα-helixtrans-61.9-53.2174.7-179.5178.4170.8166.5-1.1110.2Q796 E797 R802 A803 E804Q796-R800 PolarHBondContact O-N 2.96Å; E797-R800 WeakPolarHBondContact O-CA 3.46Å; E797-R800 WeakPolarHBondContact O-CB 3.36Å; E797-R800 PolarHBondContact O-N 3.48Å; R800-R802 PolarHBondContact O-N 3.03Å; R800-A803 CarbonylContact O-C 3.58Å; R800-A803 WeakPolarHBondContact O-CA 3.37Å; R800-A803 WeakPolarHBondContact O-CB 3.49Å; R800-A803 PolarHBondContact O-N 2.89Å; R800-E804 VanDerWaalsContact O-CB 3.31Å; R800-E804 WeakPolarHBondContact O-CB 3.4Å; R800-E804 PolarHBondContact O-N 3.32Å
801L80.1Confident79.2Confident78 Ų78121 Ų12141%0.40855%0.55SS..Hα-helixtrans-62.4-22.7177.4-68.3169000113.5E797 R805E797-L801 HydrophobicContact CG-CD1 4.17Å; E797-L801 WeakPolarHBondContact O-CG 3.34Å; E797-L801 PolarHBondContact O-N 2.88Å; L801-R805 WeakPolarHBondContact O-CB 3.43Å; L801-R805 PolarHBondContact O-N 3.41Å; L801-R805 PolarHBondContact O-NE 3.41Å
802R79.2Confident79Confident165 Ų165120.2 Ų120.262%0.62356%0.557SS**Hα-helixtrans-83.7-30171.8-166.1177.8-173.9109-0.7112.7E798 K799 R800 R806E798-R802 VanDerWaalsContact O-CB 3.31Å; E798-R802 WeakPolarHBondContact O-CB 3.41Å; E798-R802 PolarHBondContact O-N 3.4Å; K799-R802 PolarHBondContact O-N 3.5Å; R800-R802 PolarHBondContact O-N 3.03Å; R802-R806 WeakPolarHBondContact O-CG 3.43Å; R802-R806 PolarHBondContact O-N 2.96Å
803A82.5Confident77.7Confident59 Ų59118 Ų11849%0.48856%0.56SS.*Hα-helixtrans-74.6-40172.100000111.5K799 R800 R806 A807K799-A803 WeakPolarHBondContact O-CB 3.38Å; K799-A803 PolarHBondContact O-N 3.46Å; R800-A803 CarbonylContact O-C 3.58Å; R800-A803 WeakPolarHBondContact O-CA 3.37Å; R800-A803 WeakPolarHBondContact O-CB 3.49Å; R800-A803 PolarHBondContact O-N 2.89Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.46Å; A803-R806 WeakPolarHBondContact O-CB 3.38Å; A803-R806 PolarHBondContact O-N 2.79Å; A803-R806 VanDerWaalsContact O-N 3.12Å; A803-A807 PolarHBondContact O-N 2.94Å
804E80.1Confident76.6Confident83 Ų83116.3 Ų116.339%0.38856%0.557SS.*Hα-helixtrans-64.9-46.4177.5-172161.2-155.100111.7R800 R806 A807 M808R800-E804 VanDerWaalsContact O-CB 3.31Å; R800-E804 WeakPolarHBondContact O-CB 3.4Å; R800-E804 PolarHBondContact O-N 3.32Å; E804-R806 PolarHBondContact O-N 2.9Å; E804-A807 WeakPolarHBondContact O-CB 3.28Å; E804-A807 PolarHBondContact O-N 2.82Å; E804-M808 PolarHBondContact O-N 2.8Å
805R77.3Confident75.3Confident167 Ų167114.5 Ų114.563%0.6357%0.566SS**Hα-helixtrans-62.4-28.1169.5-81.3178.3-79.4-154.5-3.6113.8L801 A809L801-R805 WeakPolarHBondContact O-CB 3.43Å; L801-R805 PolarHBondContact O-N 3.41Å; L801-R805 PolarHBondContact O-NE 3.41Å; R805-A809 VanDerWaalsContact O-CB 3.27Å; R805-A809 WeakPolarHBondContact O-CB 3.45Å; R805-A809 PolarHBondContact O-N 2.91Å; R805-A809 VanDerWaalsContact O-N 3.13Å
806R75.8Confident73.8Confident148 Ų148111.3 Ų111.356%0.55856%0.56SS**Hα-helixtrans-74.3-34.9171-83177.4166.1-171.4-6.1112.4R802 A803 E804 A809 I810R802-R806 WeakPolarHBondContact O-CG 3.43Å; R802-R806 PolarHBondContact O-N 2.96Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.46Å; A803-R806 WeakPolarHBondContact O-CB 3.38Å; A803-R806 PolarHBondContact O-N 2.79Å; A803-R806 VanDerWaalsContact O-N 3.12Å; E804-R806 PolarHBondContact O-N 2.9Å; R806-A809 PolarHBondContact O-N 3.27Å; R806-I810 WeakPolarHBondContact O-CD1 3.42Å; R806-I810 VanDerWaalsContact O-CG1 3.28Å; R806-I810 WeakPolarHBondContact O-CG1 3.49Å; R806-I810 PolarHBondContact O-N 3.31Å; R806-I810 VanDerWaalsContact O-N 3.14Å
807A78Confident72Confident53 Ų53107.9 Ų107.944%0.43856%0.56SS.*Hα-helixtrans-66.2-50.6174.700000110.9A803 E804 A809 I810 E811A803-A807 PolarHBondContact O-N 2.94Å; E804-A807 WeakPolarHBondContact O-CB 3.28Å; E804-A807 PolarHBondContact O-N 2.82Å; A807-A809 VanDerWaalsContact C-N 3.27Å; A807-A809 PolarHBondContact O-N 3.06Å; A807-I810 WeakPolarHBondContact O-CB 3.26Å; A807-I810 PolarHBondContact O-N 3.15Å; A807-E811 WeakPolarHBondContact O-CB 3.18Å; A807-E811 PolarHBondContact O-N 2.99Å
808M75.6Confident70.1Confident104 Ų104109.9 Ų109.951%0.51257%0.574SS.*Hα-helixtrans-58.7-36.3174.3-72178.7167.400112.6E804 I810 E811 L812E804-M808 PolarHBondContact O-N 2.8Å; M808-I810 VanDerWaalsContact C-N 3.34Å; M808-I810 PolarHBondContact O-N 2.72Å; M808-E811 PolarHBondContact O-N 2.83Å; M808-L812 WeakPolarHBondContact O-CB 3.43Å; M808-L812 WeakPolarHBondContact O-CG 3.35Å; M808-L812 PolarHBondContact O-N 3.03Å
809A77.3Confident68.2Low27 Ų27108.9 Ų108.922%0.22358%0.581CS.*Hα-helixtrans-65.7-34.317500000113.1R805 R806 A807 S814R805-A809 VanDerWaalsContact O-CB 3.27Å; R805-A809 WeakPolarHBondContact O-CB 3.45Å; R805-A809 PolarHBondContact O-N 2.91Å; R805-A809 VanDerWaalsContact O-N 3.13Å; R806-A809 PolarHBondContact O-N 3.27Å; A807-A809 VanDerWaalsContact C-N 3.27Å; A807-A809 PolarHBondContact O-N 3.06Å; A809-S814 WeakPolarHBondContact O-CB 3.45Å; A809-S814 PolarHBondContact O-N 2.96Å; A809-S814 PolarHBondContact O-OG 3.09Å
810I76.3Confident66Low106 Ų106106.3 Ų106.354%0.54458%0.583SS.*Hα-helixtrans-71.9-44.1173.4-67.3160.6000110.3R806 A807 M808 G813 L816R806-I810 WeakPolarHBondContact O-CD1 3.42Å; R806-I810 VanDerWaalsContact O-CG1 3.28Å; R806-I810 WeakPolarHBondContact O-CG1 3.49Å; R806-I810 PolarHBondContact O-N 3.31Å; R806-I810 VanDerWaalsContact O-N 3.14Å; A807-I810 WeakPolarHBondContact O-CB 3.26Å; A807-I810 PolarHBondContact O-N 3.15Å; M808-I810 VanDerWaalsContact C-N 3.34Å; M808-I810 PolarHBondContact O-N 2.72Å; I810-G813 PolarHBondContact O-N 3.48Å; I810-G813 VanDerWaalsContact O-N 3.08Å; I810-L816 HydrophobicContact CD1-CD1 3.99Å; I810-L816 HydrophobicContact CG1-CD1 3.68Å; I810-L816 HydrophobicContact CG1-CG 4.37Å
811E75.9Confident63.9Low164 Ų164107.2 Ų107.277%0.76660%0.598SS**Hα-helixtrans-66.3-38.9-177.4-171.7167.7-149.500112.6A807 M808 G813A807-E811 WeakPolarHBondContact O-CB 3.18Å; A807-E811 PolarHBondContact O-N 2.99Å; M808-E811 PolarHBondContact O-N 2.83Å; E811-G813 PolarHBondContact O-N 3.12Å
812L72.8Confident61.8Low149 Ų149108.7 Ų108.778%0.7861%0.614SS**THydrogen-bonded Turntrans-77.513.7171.7-66.3171.1000113.6M808 S814M808-L812 WeakPolarHBondContact O-CB 3.43Å; M808-L812 WeakPolarHBondContact O-CG 3.35Å; M808-L812 PolarHBondContact O-N 3.03Å; L812-S814 PolarHBondContact O-N 2.99Å; L812-S814 VanDerWaalsContact O-N 3.12Å
813G61.8Low59.9Low62 Ų62105.3 Ų105.364%0.63962%0.616SS**THydrogen-bonded Turntrans65.913.6174.500000115.4I810 E811 V815I810-G813 PolarHBondContact O-N 3.48Å; I810-G813 VanDerWaalsContact O-N 3.08Å; E811-G813 PolarHBondContact O-N 3.12Å; G813-V815 PolarHBondContact O-N 3Å
814S55.1Low57.7Low64 Ų64106.1 Ų106.145%0.44862%0.618SS.*  trans-75.8123.1-178.175.10000110.6A809 L812 L816A809-S814 WeakPolarHBondContact O-CB 3.45Å; A809-S814 PolarHBondContact O-N 2.96Å; A809-S814 PolarHBondContact O-OG 3.09Å; L812-S814 PolarHBondContact O-N 2.99Å; L812-S814 VanDerWaalsContact O-N 3.12Å; S814-L816 PolarHBondContact O-N 2.85Å
815V49.4Very low55.4Low145 Ų145111.4 Ų111.488%0.87964%0.643SS**  trans-63.6119-174.3179.40000110.2G813 G817G813-V815 PolarHBondContact O-N 3Å; V815-G817 PolarHBondContact O-N 2.99Å
816L47.1Very low53.4Low100 Ų100107.8 Ų107.852%0.52464%0.643SS.*  trans-65.693.7177.2-85.4167.5000111.2I810 S814 N818I810-L816 HydrophobicContact CD1-CD1 3.99Å; I810-L816 HydrophobicContact CG1-CD1 3.68Å; I810-L816 HydrophobicContact CG1-CG 4.37Å; S814-L816 PolarHBondContact O-N 2.85Å; L816-N818 PolarHBondContact O-N 2.92Å
817G45.9Very low51.5Low57 Ų57105.8 Ų105.859%0.58865%0.652SS**  trans-61102.7170.400000111.3V815 S819V815-G817 PolarHBondContact O-N 2.99Å; G817-S819 PolarHBondContact O-N 2.67Å; G817-S819 PolarHBondContact O-OG 3.36Å
818N37.7Very low49.3Very low160 Ų160108.1 Ų108.186%0.85667%0.665SS**  trans-57.992.6-179.6-94.4-16000111.9L816L816-N818 PolarHBondContact O-N 2.92Å
819S40.1Very low47.4Very low101 Ų101108.2 Ų108.271%0.70668%0.676SS**  trans-11887.417736.50000108.5G817 D821G817-S819 PolarHBondContact O-N 2.67Å; G817-S819 PolarHBondContact O-OG 3.36Å; S819-D821 VanDerWaalsContact C-N 3.32Å; S819-D821 PolarHBondContact O-N 2.75Å
820S35.8Very low45.5Very low102 Ų102112.7 Ų112.771%0.71371%0.706SS**  trans-77.267-167.5-57.40000113.7S822S820-S822 PolarHBondContact O-N 3.31Å; S820-S822 PolarHBondContact O-OG 3.01Å
821D38.5Very low43.5Very low157 Ų157111 Ų11184%0.8471%0.714SS**  trans-74.792.6-173.4-132.8-18.7000113S819S819-D821 VanDerWaalsContact C-N 3.32Å; S819-D821 PolarHBondContact O-N 2.75Å
822S35.1Very low41.7Very low109 Ų109108.4 Ų108.476%0.76271%0.714SS**  trans-111.276.4-171.4-55.30000111.2S820S820-S822 PolarHBondContact O-N 3.31Å; S820-S822 PolarHBondContact O-OG 3.01Å
823S39.4Very low40.1Very low95 Ų95104.7 Ų104.766%0.66470%0.7SS**  trans-156.1132.5164.454.90000110.2
824S36.5Very low38.8Very low75 Ų75111.6 Ų111.652%0.52471%0.709SS.*  cis84.264.541.386.80000115S826S824-S826 PolarHBondContact O-N 3.16Å
825H31.1Very low37.9Very low194 Ų194120.9 Ų120.990%0.89873%0.734SS**  trans2095.4143.49.2-89.1000118
826S37Very low37.2Very low92 Ų92122 Ų12264%0.64374%0.735SS**  trans-157112.3155.541.10000107.2S824S824-S826 PolarHBondContact O-N 3.16Å
827S34.4Very low36.6Very low105 Ų105122.6 Ų122.673%0.73475%0.747SS**  73.211876.275.40000114.8
828S33.2Very low36.1Very low102 Ų102125.5 Ų125.571%0.71376%0.759SS**  trans63112.9154.663.30000121.5
829S34.2Very low36.1Very low107 Ų107129.5 Ų129.575%0.74876%0.762SS**  trans72.2154.113068.60000121.7
830S37.8Very low35.9Very low121 Ų121129.3 Ų129.385%0.84677%0.766SS**  trans66.6137.9-177.170.70000115.5
831G35.4Very low35.9Very low69 Ų69136.1 Ų136.171%0.71178%0.776SS**  cis106.4129.8-5.800000114.1
832S37.9Very low35.9Very low111 Ų111133.8 Ų133.878%0.77677%0.772SS**  trans70.3143.9-175.7-93.70000116.5
833S38.3Very low36.1Very low71 Ų71140.1 Ų140.150%0.49778%0.779SS.*  cis-173.8166.4-9.1-115.40000116.4
834Y34.2Very low36Very low207 Ų207144.9 Ų144.981%0.81278%0.783SS**  trans44.1123.4155.5-36.7-48.6000121.3
835R36.2Very low36Very low259 Ų259148.6 Ų148.698%0.97779%0.79SS**  -153.6120120.6-108.4174.4-167.6-126.71.8109.6
836N35.4Very low36.7Very low168 Ų168147 Ų14790%0.89878%0.783SS**  trans-127.6138174.5-152.82000107.5
837S35.4Very low36.7Very low112 Ų112146.2 Ų146.278%0.78378%0.782SS**  trans-147.778.4-172.2176.60000111.3
838S35.6Very low36.9Very low118 Ų118146.7 Ų146.783%0.82579%0.785SS**  trans-70.714016944.10000111.2
839R36.4Very low37.5Very low245 Ų245147.6 Ų147.693%0.92579%0.789SS**  trans-146.5116.8170.4-141.1174.3-171.1178.92.3109.9
840A35.9Very low37.9Very low97 Ų97149.4 Ų149.480%0.80280%0.795SS**  trans-98.4137.3-172.100000113.1
841R37Very low37.7Very low245 Ų245154.2 Ų154.293%0.92580%0.795SS**  trans-149.5116.3158.1-72.1-178.9171.4172.1-5.8104.2
842S38.3Very low37.8Very low108 Ų108162 Ų16276%0.75580%0.803SS**  cis75.1127.231-157.60000113.9
843R38.7Very low37.8Very low241 Ų241164.9 Ų164.991%0.90980%0.804SS**  trans85.2148.1-172.1-54.7171-176.3-169.9-0.1116
844R37.1Very low37.7Very low196 Ų196167.2 Ų167.274%0.7482%0.821SS**  cis-175.5154.9-32.7-147.6175.6-179.9-164.80.4108.8
845F37.1Very low37.9Very low152 Ų152161.9 Ų161.967%0.66781%0.814SS**  trans68.6153.8157.1-69.5-33.3000118.4
846Q44.5Very low37.9Very low160 Ų160156.1 Ų156.175%0.74880%0.799SS**  cis-157.3163.6-5.9-100.1-86.23400110.2
847A38Very low38Very low77 Ų77157.5 Ų157.564%0.63679%0.793SS**  trans33.1144.4161.100000122.8
848S37.5Very low38.1Very low114 Ų114156.9 Ų156.980%0.79779%0.789SS**  cis89.8155.112.2-36.30000116.2
849P47.2Very low38.1Very low122 Ų122156.5 Ų156.579%0.79279%0.787SS**  -144.6160.6-96.838-16.4000119.9
850T41.5Very low38.1Very low144 Ų144150.8 Ų150.888%0.88378%0.784SS**  trans-161152.6161.838.10000110.3
851R33.8Very low38.2Very low222 Ų222151 Ų15184%0.83878%0.779SS**  cis10277.53.3-157.5-171.5-179.4-102.5-3.7120.2
852R38.3Very low38.3Very low232 Ų232150.7 Ų150.788%0.87578%0.779SS**  trans-177.5132147.7-95.1156.4-173-102.45.5106.7
853Q37.2Very low38.5Very low172 Ų172154.4 Ų154.480%0.80478%0.781SS**  74135.657.5-83.6-167.5-1800115.8
854S37.4Very low38.5Very low120 Ų120153.7 Ų153.784%0.83978%0.78SS**  trans70.2155.6175.171.70000118.6
855S37.2Very low38.8Very low96 Ų96149.5 Ų149.567%0.67178%0.781SS**  cis-173.9140.3-36.260.40000113.3
856M36.4Very low39.1Very low137 Ų137147.8 Ų147.868%0.67579%0.785SS**  trans70.3156.1154.7-40.1-154.871.400121.5
857Y38.4Very low39.8Very low197 Ų197146 Ų14677%0.77379%0.787SS**  trans67.5148.4160.4-42.9-53.7000118.1
858S37.1Very low40Very low100 Ų100148.6 Ų148.670%0.69980%0.797SS**  cis-163150.5-15.8-100.20000113.4
859S35.4Very low39.9Very low110 Ų110150.7 Ų150.777%0.76980%0.799SS**  trans38116.7144.9-53.70000124.4
860S35.6Very low39.4Very low124 Ų124153.8 Ų153.887%0.86780%0.802SS**  174.2130.7127.2-79.30000110.4
861S38.7Very low39.1Very low101 Ų101151.1 Ų151.171%0.70679%0.79SS**  cis101.799.719.3-166.70000115.7
862R39.9Very low39.2Very low240 Ų240145.8 Ų145.891%0.90678%0.782SS**  trans173.1112156.3-92.3153.8-150.5-103.85106.3
863K41.4Very low39.3Very low185 Ų185145 Ų14580%0.80478%0.78SS**  88.4149.756.4-76.5-162.5174.3-170.80114.1
864Y39.3Very low39.3Very low227 Ų227141.7 Ų141.789%0.8978%0.776SS**  trans80107.1-165.8-62.9-80.5000114.1
865S42.4Very low39.3Very low108 Ų108146.3 Ų146.376%0.75578%0.775SS**  cis96117.127.7-161.50000113.7
866P44.2Very low39.9Very low115 Ų115147.2 Ų147.275%0.74778%0.779SS**  trans-96.8161.1-178.438.1-35.3000114.2
867P58.9Low40.1Very low122 Ų122149.8 Ų149.879%0.79278%0.781SS**  trans-96.1168.3167.937.5-33000113.7
868P42Very low40.3Very low132 Ų132147.2 Ų147.286%0.85778%0.779SS**  trans-115-164.2-160.343.5-34.3000116.7
869L35.2Very low40.5Very low159 Ų159148.7 Ų148.783%0.83278%0.775SS**  trans-75.8163.9-168.1-57.5164.7000116.5
870H36.7Very low40.8Very low187 Ų187148.6 Ų148.687%0.86678%0.775SS**  trans144.8159.1149.6-82.9-155.7000111.3
871S35.4Very low41.3Very low88 Ų88149 Ų14962%0.61576%0.763SS**  cis-172.2136.1-32.7-173.40000112.7
872T36.6Very low41.3Very low110 Ų110154.6 Ų154.668%0.67577%0.768SS**  trans67.2167.8147.643.70000124.3
873Y39.1Very low41.5Very low214 Ų214146.4 Ų146.484%0.83976%0.759SS**  trans82.5138.6173.4-55.9-73.1000117.7
874S39Very low41.6Very low103 Ų103145.2 Ų145.272%0.7276%0.76SS**  cis-156145-12.2-82.40000108.1
875R36Very low41.8Very low217 Ų217142.3 Ų142.382%0.81976%0.759SS**  76.2146.556.7-120.7-163.3-167.3-1065.8116.8
876P51Low41.7Very low115 Ų115140.4 Ų140.475%0.74776%0.756SS**  -137.1-100.8105.335.1-18.5000117.4
877R38.8Very low41.5Very low191 Ų191140.8 Ų140.872%0.72176%0.762SS**  trans-158.4148.8-158.2169.4-178.9166.9169.8-4114.9E879R877-E879 IonicContact CZ-OE1 2.96Å; R877-E879 IonicContact NE-OE1 3.89Å; R877-E879 PolarHBondContact NE-OE1 3.43Å; R877-E879 IonicContact NH2-OE1 3.76Å; R877-E879 PolarHBondContact NH2-OE1 2.91Å
878I43.6Very low41.2Very low144 Ų144140.6 Ų140.674%0.73876%0.761SS**  trans166.389.5136.9-82.1159000106.8
879E41.7Very low41.2Very low131 Ų131139.6 Ų139.661%0.61276%0.757SS**  81.9127.1100.6-73.4157.5-151.200113.4R877R877-E879 IonicContact CZ-OE1 2.96Å; R877-E879 IonicContact NE-OE1 3.89Å; R877-E879 PolarHBondContact NE-OE1 3.43Å; R877-E879 IonicContact NH2-OE1 3.76Å; R877-E879 PolarHBondContact NH2-OE1 2.91Å
880S41.8Very low41.5Very low108 Ų108143 Ų14376%0.75576%0.759SS**  cis-155.9-161.64.4590000109.7
881E44.9Very low41.7Very low132 Ų132138.4 Ų138.462%0.61775%0.753SS**  cis-148.7-109.36.3-129.8-51.416.500111.2
882R40.6Very low42Very low218 Ų218140.2 Ų140.282%0.82376%0.76SS**  trans-124.6160.1-173.9-70.5153.9-133.3-145.27.6113
883G43Very low42.3Very low69 Ų69142.2 Ų142.271%0.71177%0.767SS**  cis162.3170.4-9.200000115.6
884L42.9Very low42.4Very low159 Ų159135.9 Ų135.983%0.83276%0.758SS**  trans77.3113.8159.4-50.8-177.5000122.6
885L43.6Very low42.6Very low167 Ų167142.6 Ų142.687%0.87477%0.768SS**  57.4138.7122.2-56.2174.2000121.6
886G39.8Very low43Very low67 Ų67140.5 Ų140.569%0.69177%0.772SS**  cis-176.5-175.11.100000113.4
887S41.9Very low43.3Very low124 Ų124140.9 Ų140.987%0.86778%0.775SS**  trans-157.7151-176.1-45.10000115.1
888P52.3Low43.6Very low117 Ų117137.2 Ų137.276%0.7678%0.778SS**  trans-129146.914311.911000111.9
889S41.3Very low43.7Very low112 Ų112136.1 Ų136.178%0.78378%0.78SS**  67.113762.3-67.80000114.1
890R41.1Very low44.7Very low231 Ų231136 Ų13687%0.87279%0.792SS**  cis-168.7146.29.2-140.5175.2174.4175.8-3.2113.2
891A41.5Very low44.5Very low90 Ų90135.5 Ų135.574%0.74479%0.788SS**  trans59.7174.5153.800000118.5
892V42.3Very low44.2Very low126 Ų126136.1 Ų136.176%0.76480%0.795SS**  cis-145.1151.34.6-143.30000111.9
893D42.1Very low44.2Very low151 Ų151130.7 Ų130.781%0.80779%0.787SS**  trans50.3132.7144-80.51000127
894A42.3Very low44Very low81 Ų81134 Ų13467%0.66979%0.788SS**  94.3125.1126.100000124.6
895R41.4Very low43.8Very low244 Ų244134.3 Ų134.392%0.92179%0.789SS**  trans82.5150.1146.3-67.7165.9-168.5-106.60.9120.3
896L46.2Very low43.6Very low173 Ų173131 Ų13191%0.90678%0.779SS**  trans-93.7158.9-175.9-59165.7000112
897P56.5Low43.6Very low124 Ų124135 Ų13581%0.80579%0.785SS**  trans-118.8155.3149.436.6-27.5000113.7
898S45.6Very low43.2Very low113 Ų113139.9 Ų139.979%0.7979%0.786SS**PPolyproline II helixtrans-85.8165176.1-50.90000112.2
899P45.5Very low42.8Very low121 Ų121140 Ų14079%0.78679%0.787SS**PPolyproline II helixtrans-78.7154.3-17732.6-36.4000113.5
900P61.6Low42.7Very low130 Ų130144.7 Ų144.784%0.84479%0.787SS**PPolyproline II helixtrans-84.2158.5176.134.7-35.2000113.3
901S37.4Very low42.6Very low97 Ų97139.1 Ų139.168%0.67878%0.775SS**  trans-128.3-176.2164.155.10000108.8
902N40.4Very low42.6Very low145 Ų145140.9 Ų140.978%0.77578%0.777SS**  trans82.1145.4-177.3-52.6-32000115.5
903T39Very low42.4Very low104 Ų104146.5 Ų146.564%0.63878%0.784SS**  cis-170.2161.5-20.631.90000110.7
904N39.2Very low42.3Very low139 Ų139143.7 Ų143.774%0.74378%0.782SS**  trans84.6151.8151.6-59-29.3000121.4
905L39.6Very low42.7Very low164 Ų164145.3 Ų145.386%0.85979%0.785SS**  trans74.2138.5166-47.8-177.6000118.5
906C38.9Very low42.9Very low98 Ų98139.2 Ų139.266%0.66278%0.776SS**  cis-166.5152.4-36.5-126.30000112.2
907N39.7Very low42.6Very low150 Ų150138 Ų13880%0.80277%0.77SS**  trans72.2130.9154.5-56.2-9.5000122.1
908Y33.9Very low41.8Very low227 Ų227143.8 Ų143.889%0.8978%0.776SS**  trans-101.8157.3157.8-85-96.4000109.6
909P44.1Very low41.4Very low121 Ų121145.7 Ų145.779%0.78678%0.776SS**  -139156.598.834.6-19.8000112.7
910R39.3Very low41.4Very low210 Ų210145.6 Ų145.679%0.79278%0.775SS**  cis92.4116.541-135-155.5-157.1-111.612.8114.2
911D37.4Very low40.4Very low113 Ų113150.1 Ų150.160%0.60478%0.775SS**  trans48.7124.5157.5-48.6-29.7000122.4
912T42.1Very low40.7Very low128 Ų128151.1 Ų151.179%0.78578%0.782SS**  -170.9123.5123.413.80000116.1
913R39.5Very low40.8Very low243 Ų243148.7 Ų148.792%0.91778%0.776SS**  trans47.3145.9136.7-65.5175.9179.7172.4-0.5123.2
914A38.7Very low41Very low92 Ų92151.2 Ų151.276%0.7679%0.786SS**  trans-132.2156.5168.900000112.2
915P51.7Low41.1Very low115 Ų115149 Ų14975%0.74778%0.781SS**  trans-120.2123.2158.734.6-22000111.4
916T44.1Very low41.3Very low117 Ų117148.1 Ų148.172%0.71878%0.777SS**  72109.768.465.50000117.6
917N39.7Very low41.5Very low148 Ų148151.6 Ų151.679%0.79179%0.788SS**  trans64.8122141.5-58.3-31.2000122.2
918R40.6Very low41.4Very low245 Ų245148.2 Ų148.293%0.92579%0.789SS**  -174.1163103.3-99.2173.5-176.3-1651.3113.4
919I36.4Very low42Very low153 Ų153143.3 Ų143.379%0.78579%0.787SS**  trans-141.9134.6-178.7-56.5170.4000109.1
920P46.1Very low42.1Very low118 Ų118143.2 Ų143.277%0.76679%0.787SS**  -133148.4122.329.3-14.4000111
921R40.5Very low42.2Very low226 Ų226139.9 Ų139.985%0.85378%0.783SS**  cis83.1139.841.3-81-165.2168.8-134.7-0.4115.1
922S44Very low42.3Very low118 Ų118143.5 Ų143.583%0.82580%0.797SS**  trans72.7147-175.575.40000115.8
923S43.1Very low42.1Very low93 Ų93143.1 Ų143.165%0.6579%0.789SS**  cis-172.1143.2-22.948.30000111.4
924N42.2Very low42.3Very low157 Ų157136.9 Ų136.984%0.8478%0.781SS**  trans62.5150.2154.1-63.4-5.4000118
925S42.5Very low42.3Very low92 Ų92143 Ų14364%0.64379%0.785SS**  cis-170163.4-9.246.50000112
926L42.2Very low41.7Very low147 Ų147142.4 Ų142.477%0.7779%0.785SS**  trans76.4124155.5-69157.6000121.3
927L44.3Very low41.4Very low170 Ų170143.3 Ų143.389%0.8979%0.79SS**  trans63.5118.9141.3-61.1168.3000121.2
928G38.3Very low41.5Very low80 Ų80142 Ų14283%0.82579%0.792SS**  trans166.8126.616400000112.9
929S45.1Very low41.5Very low123 Ų123141.7 Ų141.786%0.8679%0.791SS**  trans-90.2158-179.3-69.20000112.6
930P46.6Very low41.9Very low119 Ų119142 Ų14277%0.77379%0.794SS**  trans-85.8126.2-161.631.9-35.6000115.9
931I40.3Very low41.6Very low140 Ų140148 Ų14872%0.71880%0.802SS**  42.2104.7117.3-56.4175.5000116.5N933I931-N933 HydrophobicContact CG2-CB 3.81Å
932Q40.3Very low41.8Very low190 Ų190141.2 Ų141.289%0.88880%0.802SS**  trans-73.1145.3135.5-65.7169.6-48.900108.3
933N38.9Very low41.7Very low119 Ų119140.7 Ų140.764%0.63680%0.798SS**  trans-153.1129.8163-120.93.2000111.3I931I931-N933 HydrophobicContact CG2-CB 3.81Å
934P43.6Very low41.6Very low113 Ų113142.9 Ų142.973%0.73481%0.807SS**  trans-78.1162.5165.734.8-34000110.6
935Y39Very low41.4Very low219 Ų219141 Ų14186%0.85981%0.806SS**  trans-129.6118.3165.8-84.1-80.9000110
936S38.2Very low41.2Very low104 Ų104141.9 Ų141.973%0.72781%0.812SS**  trans-138.1145.5165.1-171.20000109.1
937T38.3Very low41.1Very low136 Ų136140.9 Ų140.983%0.83482%0.818SS**  trans59.2116.7-178.769.90000116.9
938S41.6Very low40.9Very low119 Ų119137.2 Ų137.283%0.83281%0.807SS**  trans-134137.2133.3-172.70000107.7
939R39.2Very low41Very low239 Ų239143.4 Ų143.490%0.90281%0.805SS**  trans-94.3133.4171.5-72.1173.2170160.5-4.5107.4
940D46.1Very low40.6Very low160 Ų160146 Ų14686%0.85680%0.801SS**  trans-135.8150.4164.1-137.5-31.2000111.4
941R39.2Very low40.4Very low245 Ų245147.1 Ų147.193%0.92580%0.799SS**  trans-106.4109-169.2-76.3179.7168.4178.7-3.9111.4
942G45.3Very low40.3Very low83 Ų83143.7 Ų143.786%0.85680%0.799SS**  trans-96.2150164.800000111.9
943S41.5Very low40.5Very low106 Ų106141.1 Ų141.174%0.74180%0.802SS**  trans-130.4146.6-170.4-170.80000112.9
944V40.4Very low40.5Very low139 Ų139145.4 Ų145.484%0.84281%0.809SS**  trans56.3156.6170.9-63.90000117.3
945S38.5Very low40.5Very low117 Ų117147.9 Ų147.982%0.81881%0.811SS**  cis-141.6176.86.2-156.30000112.4
946S38.9Very low40.8Very low111 Ų111145 Ų14578%0.77681%0.805SS**  trans-113.4153.8-161.5-48.10000116
947S40.2Very low40.7Very low126 Ų126148.7 Ų148.788%0.88181%0.811SS**  trans-171.8147.3144.1-83.70000111.7
948S39.5Very low40.9Very low94 Ų94153.4 Ų153.466%0.65781%0.813SS**  cis171.2150.1-46.1175.50000109
949R39.7Very low40.9Very low210 Ų210152.3 Ų152.379%0.79281%0.806SS**  trans83.3152.9-163.7-58.7164.9-67.1-176.91.5112.6
950F37.8Very low40.9Very low177 Ų177151.6 Ų151.678%0.77681%0.805SS**  cis-166.5163.2-7.1-108.6170.7000108.4
951I41.4Very low40.6Very low142 Ų142149 Ų14973%0.72880%0.799SS**  cis-155.7149.8-14.2-154.8169.1000109.1
952G39.2Very low40.6Very low69 Ų69142 Ų14271%0.71179%0.787SS**  trans71.6155.9171.500000116.2
953S44.5Very low40.3Very low136 Ų136144.8 Ų144.895%0.95178%0.78SS**  cis-146.5170.4-9.9-86.40000110.7
954R38.4Very low40.3Very low209 Ų209147.9 Ų147.979%0.78978%0.782SS**  trans-109.7138.7-165.6150.8-165.3171.1-174.23.4110.7
955E44.3Very low40.5Very low164 Ų164146.7 Ų146.777%0.76678%0.778SS**  trans-163.2175.9137.1-134.874.4-88.300111.1
956E44.3Very low40.8Very low158 Ų158152.6 Ų152.674%0.73878%0.782SS**  trans-87.4156.3-150.5-56-175133.100117.7
957Q36.5Very low41Very low183 Ų183154.2 Ų154.286%0.85579%0.787SS**  trans-82.7132.1158.7-66.1-179.4-6.800110.8
958R43.5Very low41.2Very low235 Ų235153.6 Ų153.689%0.88778%0.783SS**  trans-137.9146.8147.8-78.5-164173.5-111.2-4.1111
959S39.6Very low41.4Very low96 Ų96153.8 Ų153.867%0.67178%0.784SS**  trans-108.7174.1-165.7-52.70000112.8
960Y39.6Very low41.7Very low224 Ų224155.9 Ų155.988%0.87879%0.792SS**  trans84.6115.5159.3-72.1-71.8000120.6
961S39.8Very low42.1Very low106 Ų106151.2 Ų151.274%0.74179%0.794SS**  94.2105.1119.1-158.10000120.8
962S40.7Very low42.2Very low97 Ų97153.2 Ų153.268%0.67880%0.801SS**  77.6124.1121.4-158.90000121.9
963M37.8Very low42.4Very low142 Ų142157.3 Ų157.370%0.781%0.805SS**  trans51.6114.9145.4-64.5-63.1108.800120.7
964H41.8Very low42.6Very low170 Ų170157.3 Ų157.379%0.78780%0.8SS**  -179.3129104.4-97.2-63.9000112.6
965P44.5Very low42.9Very low115 Ų115156.7 Ų156.775%0.74780%0.803SS**  trans-87.2144.1155.134.2-30000110.3
966R45.4Very low43.2Very low240 Ų240160 Ų16091%0.90681%0.808SS**  trans-128.8129.5167.1-83.8-171.5172.6-117.4-0110.9
967T41.9Very low43.6Very low145 Ų145157.9 Ų157.989%0.8981%0.806SS**  trans-101.6137.7175.245.60000110.6
968S44.3Very low44.4Very low114 Ų114156.3 Ų156.380%0.79780%0.804SS**  trans-177.7147.5158.7-175.30000109.2
969S45.1Very low44.5Very low97 Ų97158.2 Ų158.268%0.67882%0.823SS**  cis-172.1165-4353.20000107.8
970R45Very low44.7Very low254 Ų254161.3 Ų161.396%0.95883%0.83SS**  trans72.7121153.7-152.6175.7-163.1165.63.9118.4
971G47.5Very low45Very low80 Ų80158 Ų15883%0.82583%0.828SS**  trans159.770.3171.900000113.8
972E43.4Very low45.3Very low184 Ų184160.9 Ų160.986%0.8683%0.832SS**  trans-92.9171.8175-76.9-160.6109.600113.2
973L43.4Very low45.5Very low154 Ų154164.6 Ų164.681%0.80684%0.841SS**  trans78.4139.3170-47.7175.4000114.6
974T47.5Very low46Very low136 Ų136166.1 Ų166.183%0.83485%0.85SS**  cis-148.2164.95-13.10000112.3
975K45.3Very low46.3Very low196 Ų196165.8 Ų165.885%0.85286%0.855SS**  trans-85.5142.3178.7-56.3170.3-177.3172.40113
976R51.2Low46.4Very low234 Ų234169.4 Ų169.488%0.88386%0.862SS**  trans175.9108.7144.6-96.5158.3-174.7-152.20.8107.8
977T52.3Low46.5Very low114 Ų114164 Ų16470%0.69986%0.859SS**  68.612977.762.10000115.2
978D53.2Low46.9Very low150 Ų150165.6 Ų165.680%0.80286%0.856SS**  trans7780.5156.9-49.6-20.8000119.9
979Q44.4Very low47.1Very low274 Ų274170.3 Ų170.3100%1.2886%0.862SS**  -152.20110.1-111.6176.359.200112

Retrieved 979 of 979 residues in 484 ms (Link to these results)