G4VDP8_SCHMA Loading...

SANT domain-containing protein

AlphaFold DB , UniProt , Accession G4VDP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M55.1Low85.3Confident226 Ų226120 Ų120100%1.11362%0.621SS**  0-30.40-72.2169.6176.600113.8N3 F4M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 2.98Å; M1-F4 PolarHBondContact O-N 3.25Å
2A74.3Confident86Confident60 Ų60120.2 Ų120.250%0.49662%0.617SS.*Hα-helixtrans-52.5-29.3-171.200000118.1F4 S5 R6A2-F4 PolarHBondContact O-N 2.96Å; A2-S5 PolarHBondContact O-N 2.86Å; A2-R6 PolarHBondContact O-N 3.48Å
3N85.2Confident86.6Confident118 Ų118120.5 Ų120.563%0.63161%0.614SS**Hα-helixtrans-65.1-35.3-175.2-64.2-13.3000113.3M1 S5 R6 V7M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 2.98Å; N3-S5 VanDerWaalsContact C-N 3.35Å; N3-R6 PolarHBondContact O-N 3.22Å; N3-V7 WeakPolarHBondContact O-CG2 3.45Å; N3-V7 PolarHBondContact O-N 3.28Å
4F84.7Confident87Confident181 Ų181113.7 Ų113.779%0.79459%0.585SS**Hα-helixtrans-64.1-40.9176.5-99.6-86.6000111.7M1 A2 V7 A8M1-F4 PolarHBondContact O-N 3.25Å; A2-F4 PolarHBondContact O-N 2.96Å; F4-V7 PolarHBondContact O-N 3.06Å; F4-A8 WeakPolarHBondContact O-CB 3.12Å; F4-A8 PolarHBondContact O-N 2.83Å
5S88.6Confident87.4Confident81 Ų81109.9 Ų109.957%0.56657%0.572SS**Hα-helixtrans-62.7-42.2176.5-52.30000111.9A2 N3 A8 E9A2-S5 PolarHBondContact O-N 2.86Å; N3-S5 VanDerWaalsContact C-N 3.35Å; S5-A8 PolarHBondContact O-N 3.04Å; S5-E9 WeakPolarHBondContact O-CB 3.33Å; S5-E9 PolarHBondContact O-N 2.92Å
6R90.4Very high88Confident163 Ų163107.4 Ų107.462%0.61556%0.564SS**Hα-helixtrans-64.3-40.4175.6-68.8-179.7179.3177.1-2.1112.6A2 N3 E9 I10A2-R6 PolarHBondContact O-N 3.48Å; N3-R6 PolarHBondContact O-N 3.22Å; R6-E9 PolarHBondContact O-N 3.21Å; R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.39Å; R6-I10 VanDerWaalsContact O-N 3.08Å
7V89.4Confident88.2Confident73 Ų73104.1 Ų104.144%0.44256%0.555SS.*Hα-helixtrans-65.5-43.2176.2170.80000110.8N3 F4 E9 I10 F11N3-V7 WeakPolarHBondContact O-CG2 3.45Å; N3-V7 PolarHBondContact O-N 3.28Å; F4-V7 PolarHBondContact O-N 3.06Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.9Å; V7-I10 PolarHBondContact O-N 3.24Å; V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.58Å; V7-F11 WeakPolarHBondContact O-CD2 3.03Å; V7-F11 PolarHBondContact O-N 3.5Å; V7-F11 VanDerWaalsContact O-N 3.12Å
8A91.7Very high88.5Confident59 Ų59103.9 Ų103.949%0.48855%0.549SS..Hα-helixtrans-61.9-40.617500000112.4F4 S5 I10 F11 E12F4-A8 WeakPolarHBondContact O-CB 3.12Å; F4-A8 PolarHBondContact O-N 2.83Å; S5-A8 PolarHBondContact O-N 3.04Å; A8-I10 PolarHBondContact O-N 2.98Å; A8-F11 PolarHBondContact O-N 2.78Å; A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 PolarHBondContact O-N 2.93Å
9E94.3Very high88.8Confident115 Ų115100.6 Ų100.654%0.53754%0.542SS..Hα-helixtrans-62.1-39.1175.7-176.1176.3-169.400112.6S5 R6 V7 E12 Q13S5-E9 WeakPolarHBondContact O-CB 3.33Å; S5-E9 PolarHBondContact O-N 2.92Å; R6-E9 PolarHBondContact O-N 3.21Å; V7-E9 VanDerWaalsContact C-N 3.34Å; V7-E9 PolarHBondContact O-N 2.9Å; E9-E12 PolarHBondContact O-N 3.11Å; E9-Q13 WeakPolarHBondContact O-CG 3.16Å; E9-Q13 PolarHBondContact O-N 3.35Å
10I92.1Very high89Confident109 Ų109104.6 Ų104.656%0.55955%0.549SS*.Hα-helixtrans-63.9-45.1174-67.1161.3000110.9R6 V7 A8 E12 Q13 A14R6-I10 VanDerWaalsContact O-CG1 3.31Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.39Å; R6-I10 VanDerWaalsContact O-N 3.08Å; V7-I10 PolarHBondContact O-N 3.24Å; A8-I10 PolarHBondContact O-N 2.98Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.22Å; I10-Q13 PolarHBondContact O-N 2.91Å; I10-A14 WeakPolarHBondContact O-CB 3.32Å; I10-A14 PolarHBondContact O-N 3.36Å
11F92.1Very high89.1Confident135 Ų135102.5 Ų102.559%0.59254%0.538SS*.Hα-helixtrans-65-34176.8-78.1-64.3000112.7V7 A8 A14 S15V7-F11 HydrophobicContact CG1-CD2 3.82Å; V7-F11 HydrophobicContact CG1-CE2 3.58Å; V7-F11 WeakPolarHBondContact O-CD2 3.03Å; V7-F11 PolarHBondContact O-N 3.5Å; V7-F11 VanDerWaalsContact O-N 3.12Å; A8-F11 PolarHBondContact O-N 2.78Å; F11-A14 PolarHBondContact O-N 2.88Å; F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 2.85Å
12E94.5Very high90.8Very high122 Ų12294.2 Ų94.257%0.5751%0.506SS*.Hα-helixtrans-69.4-41174.5-173.465.5-177.400112A8 E9 I10 A14 S15 V16A8-E12 WeakPolarHBondContact O-CB 3.47Å; A8-E12 PolarHBondContact O-N 2.93Å; E9-E12 PolarHBondContact O-N 3.11Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.22Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.21Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 PolarHBondContact O-OG 3.42Å; E12-S15 PolarHBondContact OE2-OG 3.45Å; E12-V16 WeakPolarHBondContact O-CG2 3.39Å; E12-V16 PolarHBondContact O-N 2.93Å
13Q93.6Very high91.7Very high125 Ų12596.1 Ų96.158%0.58450%0.504SS*.Hα-helixtrans-63.3-40.5173.6-71175.117.300111.6E9 I10 A17E9-Q13 WeakPolarHBondContact O-CG 3.16Å; E9-Q13 PolarHBondContact O-N 3.35Å; I10-Q13 PolarHBondContact O-N 2.91Å; Q13-A17 PolarHBondContact O-N 3.24Å; Q13-A17 VanDerWaalsContact O-N 3.11Å
14A92.5Very high91.9Very high25 Ų2594.8 Ų94.821%0.20750%0.497CS..Hα-helixtrans-66.1-42.5174.800000112.3I10 F11 E12 V16 A17 F18I10-A14 WeakPolarHBondContact O-CB 3.32Å; I10-A14 PolarHBondContact O-N 3.36Å; F11-A14 PolarHBondContact O-N 2.88Å; E12-A14 VanDerWaalsContact C-N 3.32Å; E12-A14 PolarHBondContact O-N 3.21Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.83Å; A14-A17 PolarHBondContact O-N 3.28Å; A14-F18 HydrophobicContact CB-CD2 4.44Å; A14-F18 HydrophobicContact CB-CE2 4.18Å; A14-F18 WeakPolarHBondContact O-CD2 3.4Å; A14-F18 PolarHBondContact O-N 3.37Å
15S93Very high92.1Very high56 Ų5688.8 Ų88.839%0.39248%0.475SS..Hα-helixtrans-62.7-40.6178.875.70000111.6F11 E12 F18 G19F11-S15 WeakPolarHBondContact O-CB 3.36Å; F11-S15 PolarHBondContact O-N 2.85Å; E12-S15 PolarHBondContact O-N 2.83Å; E12-S15 PolarHBondContact O-OG 3.42Å; E12-S15 PolarHBondContact OE2-OG 3.45Å; S15-F18 PolarHBondContact O-N 3.43Å; S15-G19 PolarHBondContact O-N 3.48Å
16V96.1Very high92.1Very high71 Ų7189.2 Ų89.243%0.4347%0.47SS..Hα-helixtrans-63.4-41173.7171.10000111.6E12 A14 G19 R20E12-V16 WeakPolarHBondContact O-CG2 3.39Å; E12-V16 PolarHBondContact O-N 2.93Å; A14-V16 VanDerWaalsContact C-N 3.34Å; A14-V16 PolarHBondContact O-N 2.83Å; V16-G19 PolarHBondContact O-N 3.42Å; V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 2.81Å; V16-R20 VanDerWaalsContact O-N 3.11Å
17A92.7Very high92Very high50 Ų5083.7 Ų83.741%0.41345%0.453SS..Hα-helixtrans-65.3-47.3176.700000112.2Q13 A14 G19 R20 L21Q13-A17 PolarHBondContact O-N 3.24Å; Q13-A17 VanDerWaalsContact O-N 3.11Å; A14-A17 PolarHBondContact O-N 3.28Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.96Å; A17-R20 PolarHBondContact O-N 3.1Å; A17-L21 PolarHBondContact O-N 3.44Å; A17-L21 VanDerWaalsContact O-N 3.16Å
18F93.3Very high91.8Very high102 Ų10282.1 Ų82.145%0.44744%0.442SS..Hα-helixtrans-63-36.6174.8-68.6-55.2000112.3A14 S15 R20 L21 A22 F61A14-F18 HydrophobicContact CB-CD2 4.44Å; A14-F18 HydrophobicContact CB-CE2 4.18Å; A14-F18 WeakPolarHBondContact O-CD2 3.4Å; A14-F18 PolarHBondContact O-N 3.37Å; S15-F18 PolarHBondContact O-N 3.43Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.17Å; F18-L21 HydrophobicContact CD1-CD1 4.36Å; F18-L21 PolarHBondContact O-N 3.05Å; F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 2.87Å; F18-F61 HydrophobicContact CZ-CE1 4.11Å
19G94.3Very high91.5Very high41 Ų4185.5 Ų85.542%0.42345%0.446SS..Hα-helixtrans-60.7-39.9174.300000113S15 V16 A17 A22 Q23S15-G19 PolarHBondContact O-N 3.48Å; V16-G19 PolarHBondContact O-N 3.42Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.96Å; G19-A22 PolarHBondContact O-N 3.01Å; G19-Q23 PolarHBondContact O-N 2.86Å
20R93Very high91Very high179 Ų17985.2 Ų85.268%0.67544%0.444SS*.Hα-helixtrans-64.8-45173.8-70.3176.1-177.8-167.90.5112.2V16 A17 F18 A22 Q23 L24V16-R20 WeakPolarHBondContact O-CG 3.28Å; V16-R20 PolarHBondContact O-N 2.81Å; V16-R20 VanDerWaalsContact O-N 3.11Å; A17-R20 PolarHBondContact O-N 3.1Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.17Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.44Å; R20-Q23 PolarHBondContact O-N 3.01Å; R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.33Å
21L90.1Very high90.6Very high61 Ų6185.3 Ų85.332%0.31944%0.441SS..Hα-helixtrans-61.9-40.5176.5-68.3169.4000111.7A17 F18 T25 W46 L54A17-L21 PolarHBondContact O-N 3.44Å; A17-L21 VanDerWaalsContact O-N 3.16Å; F18-L21 HydrophobicContact CD1-CD1 4.36Å; F18-L21 PolarHBondContact O-N 3.05Å; L21-T25 WeakPolarHBondContact O-CB 3.41Å; L21-T25 PolarHBondContact O-N 3.46Å; L21-T25 PolarHBondContact O-OG1 3.3Å; L21-W46 HydrophobicContact CD2-CH2 4.07Å; L21-L54 HydrophobicContact CD1-CD1 4.19Å
22A91.8Very high90Very high53 Ų5383.9 Ų83.944%0.43844%0.436SS..Hα-helixtrans-63.5-42.9175.200000112F18 G19 R20 T25 L26F18-A22 WeakPolarHBondContact O-CB 3.34Å; F18-A22 PolarHBondContact O-N 2.87Å; G19-A22 PolarHBondContact O-N 3.01Å; R20-A22 VanDerWaalsContact C-N 3.32Å; R20-A22 PolarHBondContact O-N 3.44Å; A22-T25 WeakPolarHBondContact O-CB 3.29Å; A22-T25 PolarHBondContact O-N 2.79Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.31Å
23Q92.6Very high89.2Confident99 Ų9981.4 Ų81.446%0.46344%0.436SS..Hα-helixtrans-63-50.1175.7-173.86150.700111.7G19 R20 T25 L26 D27G19-Q23 PolarHBondContact O-N 2.86Å; R20-Q23 PolarHBondContact O-N 3.01Å; Q23-T25 PolarHBondContact O-N 2.68Å; Q23-L26 CarbonylContact O-C 3.59Å; Q23-L26 WeakPolarHBondContact O-CA 3.31Å; Q23-L26 WeakPolarHBondContact O-CB 3.38Å; Q23-L26 PolarHBondContact O-N 3.41Å; Q23-D27 PolarHBondContact NE2-OD1 2.83Å; Q23-D27 VanDerWaalsContact O-CG 3.22Å; Q23-D27 PolarHBondContact O-N 3.1Å
24L90.2Very high88.3Confident91 Ų9182 Ų8248%0.47644%0.439SS..Hα-helixtrans-58.4-36.4177.4-68.9170.1000112.1R20 D27 L28R20-L24 WeakPolarHBondContact O-CG 3.35Å; R20-L24 PolarHBondContact O-N 3.33Å; L24-D27 PolarHBondContact O-N 2.84Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.87Å
25T87.2Confident87.2Confident55 Ų5583.9 Ų83.934%0.33744%0.443SS..Hα-helixtrans-65-38.8173.7-550000112.3L21 A22 Q23 K29 W46L21-T25 WeakPolarHBondContact O-CB 3.41Å; L21-T25 PolarHBondContact O-N 3.46Å; L21-T25 PolarHBondContact O-OG1 3.3Å; A22-T25 WeakPolarHBondContact O-CB 3.29Å; A22-T25 PolarHBondContact O-N 2.79Å; Q23-T25 PolarHBondContact O-N 2.68Å; T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.46Å; T25-K29 PolarHBondContact O-N 3.05Å; T25-W46 WeakPolarHBondContact OG1-CZ2 3.26Å
26L90.2Very high85.7Confident89 Ų8987.9 Ų87.947%0.46646%0.46SS..Hα-helixtrans-69.3-42.7175.3-71.2170.3000111.5A22 Q23 K29 Q30A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.31Å; Q23-L26 CarbonylContact O-C 3.59Å; Q23-L26 WeakPolarHBondContact O-CA 3.31Å; Q23-L26 WeakPolarHBondContact O-CB 3.38Å; Q23-L26 PolarHBondContact O-N 3.41Å; L26-K29 PolarHBondContact O-N 3.39Å; L26-Q30 WeakPolarHBondContact O-CG 3.22Å; L26-Q30 PolarHBondContact O-N 2.9Å
27D88.4Confident84Confident47 Ų4792 Ų9225%0.25148%0.48SS..Hα-helixtrans-59.8-49.8177.9-61.2-21.1000110.1Q23 L24 K29 Q30 F31Q23-D27 PolarHBondContact NE2-OD1 2.83Å; Q23-D27 VanDerWaalsContact O-CG 3.22Å; Q23-D27 PolarHBondContact O-N 3.1Å; L24-D27 PolarHBondContact O-N 2.84Å; D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.01Å; D27-Q30 WeakPolarHBondContact O-CB 3.3Å; D27-Q30 PolarHBondContact O-N 3.28Å; D27-F31 HydrophobicContact CB-CD2 4.45Å; D27-F31 HydrophobicContact CB-CE2 4.35Å; D27-F31 WeakPolarHBondContact O-CD2 3.29Å; D27-F31 PolarHBondContact O-N 3.34Å
28L85.1Confident82Confident40 Ų4092 Ų9221%0.20949%0.485CS..Hα-helixtrans-57.1-39.6175.7-74.3166.3000112.4L24 F31 Q32 W46L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.87Å; L28-F31 PolarHBondContact O-N 3.1Å; L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 PolarHBondContact O-N 3.05Å; L28-W46 HydrophobicContact CD1-CD2 4.21Å; L28-W46 HydrophobicContact CD1-CG 4.05Å; L28-W46 HydrophobicContact CD1-CZ2 4.41Å
29K83.9Confident80.1Confident131 Ų13195.1 Ų95.157%0.5751%0.506SS*.Hα-helixtrans-67.9-34.6174.6-72.817667.1174.40113T25 L26 D27 A33T25-K29 VanDerWaalsContact O-CG 3.31Å; T25-K29 WeakPolarHBondContact O-CG 3.46Å; T25-K29 PolarHBondContact O-N 3.05Å; L26-K29 PolarHBondContact O-N 3.39Å; D27-K29 VanDerWaalsContact C-N 3.29Å; D27-K29 PolarHBondContact O-N 3.01Å; K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 3.27Å
30Q85.2Confident78Confident108 Ų10895.3 Ų95.351%0.50550%0.502SS..Hα-helixtrans-70.5-44.3174.9-70176.524.400111.2L26 D27 Q32 A33 Q34L26-Q30 WeakPolarHBondContact O-CG 3.22Å; L26-Q30 PolarHBondContact O-N 2.9Å; D27-Q30 WeakPolarHBondContact O-CB 3.3Å; D27-Q30 PolarHBondContact O-N 3.28Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q30-A33 PolarHBondContact O-N 3.39Å; Q30-Q34 WeakPolarHBondContact O-CG 3.32Å; Q30-Q34 PolarHBondContact O-N 2.71Å
31F82.1Confident76.2Confident112 Ų11295.8 Ų95.849%0.49151%0.509SS..Hα-helixtrans-58.2-45.5171.9-77-64.9000111.4D27 L28 A33 Q34 Q35D27-F31 HydrophobicContact CB-CD2 4.45Å; D27-F31 HydrophobicContact CB-CE2 4.35Å; D27-F31 WeakPolarHBondContact O-CD2 3.29Å; D27-F31 PolarHBondContact O-N 3.34Å; L28-F31 PolarHBondContact O-N 3.1Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.04Å; F31-Q34 PolarHBondContact O-N 2.91Å; F31-Q35 WeakPolarHBondContact O-CB 3.31Å; F31-Q35 VanDerWaalsContact O-CG 3.28Å; F31-Q35 WeakPolarHBondContact O-CG 3.35Å; F31-Q35 PolarHBondContact O-N 2.84Å
32Q80.2Confident74.7Confident105 Ų10599.3 Ų99.349%0.49153%0.533SS..Hα-helixtrans-61.3-40175.7-172.7-176.94.500112.5L28 Q30 Q34 Q35L28-Q32 WeakPolarHBondContact O-CB 3.47Å; L28-Q32 PolarHBondContact O-N 3.05Å; Q30-Q32 VanDerWaalsContact C-N 3.35Å; Q30-Q32 PolarHBondContact O-N 3.19Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q32-Q35 PolarHBondContact O-N 3.36Å
33A77.4Confident73Confident69 Ų69101.4 Ų101.457%0.5754%0.543SS*.Hα-helixtrans-66.3-35.2177.400000112.6K29 Q30 F31K29-A33 WeakPolarHBondContact O-CB 3.31Å; K29-A33 PolarHBondContact O-N 3.27Å; Q30-A33 PolarHBondContact O-N 3.39Å; F31-A33 VanDerWaalsContact C-N 3.34Å; F31-A33 PolarHBondContact O-N 3.04Å
34Q76.3Confident71.6Confident137 Ų13797 Ų9764%0.6452%0.524SS*.Hα-helixtrans-76.8-28.8176.6-69.11715.700113Q30 F31 Q32 N36Q30-Q34 WeakPolarHBondContact O-CG 3.32Å; Q30-Q34 PolarHBondContact O-N 2.71Å; F31-Q34 PolarHBondContact O-N 2.91Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å; Q34-N36 VanDerWaalsContact C-N 3.27Å; Q34-N36 PolarHBondContact O-N 3.03Å
35Q69Low70.7Confident65 Ų6599.6 Ų99.630%0.30453%0.532SS..THydrogen-bonded Turntrans-84.319.2-178.3-72.5-177.1-5.400114.7F31 Q32 D37 S40F31-Q35 WeakPolarHBondContact O-CB 3.31Å; F31-Q35 VanDerWaalsContact O-CG 3.28Å; F31-Q35 WeakPolarHBondContact O-CG 3.35Å; F31-Q35 PolarHBondContact O-N 2.84Å; Q32-Q35 PolarHBondContact O-N 3.36Å; Q35-D37 PolarHBondContact O-N 3.33Å; Q35-S40 PolarHBondContact NE2-OG 3.38Å; Q35-S40 VanDerWaalsContact NE2-OG 3.1Å; Q35-S40 VanDerWaalsContact OE1-CB 3.29Å; Q35-S40 PolarHBondContact OE1-OG 2.91Å
36N60.7Low70.5Confident140 Ų140100.4 Ų100.475%0.74953%0.529SS*.THydrogen-bonded Turntrans-68.9-19.3170.4-96-58.4000113.1Q34 G38Q34-N36 VanDerWaalsContact C-N 3.27Å; Q34-N36 PolarHBondContact O-N 3.03Å; N36-G38 PolarHBondContact O-N 3.41Å
37D59.8Low70.2Confident157 Ų15798.6 Ų98.684%0.8452%0.523SS*.SBendtrans-92.876.3174.9-74.3-56.3000112Q35Q35-D37 PolarHBondContact O-N 3.33Å
38G51.1Low70Confident51 Ų51102.1 Ų102.153%0.52654%0.539SS..SBendtrans80.1134.1159.900000118.5N36 S40N36-G38 PolarHBondContact O-N 3.41Å; G38-S40 PolarHBondContact O-N 3.18Å
39D54.3Low70.3Confident167 Ų167107.1 Ų107.189%0.89356%0.558SS**  trans63.9-2.7152-59.2-25.6000122.2K41D39-K41 PolarHBondContact O-N 2.96Å
40S48.9Very low70.5Confident46 Ų46105.4 Ų105.432%0.32255%0.552SS.*  trans-91.581.3170.7-178.90000113.4Q35 G38Q35-S40 PolarHBondContact NE2-OG 3.38Å; Q35-S40 VanDerWaalsContact NE2-OG 3.1Å; Q35-S40 VanDerWaalsContact OE1-CB 3.29Å; Q35-S40 PolarHBondContact OE1-OG 2.91Å; G38-S40 PolarHBondContact O-N 3.18Å
41K56.1Low70.7Confident189 Ų189102.3 Ų102.382%0.82254%0.541SS*.  trans-78.3-12.5-179.4-76-175.4178.3176.90115.8D39D39-K41 PolarHBondContact O-N 2.96Å
42T58.4Low71.1Confident135 Ų135101.3 Ų101.383%0.82854%0.538SS*.SBendtrans-129.8-14.9-160.752.10000116.9
43C55.3Low71.7Confident96 Ų96100.7 Ų100.765%0.64954%0.538SS*.SBendtrans-100.2-13.2-167.4-163.10000115.8
44G63.8Low72.3Confident7 Ų7100.1 Ų100.17%0.07253%0.525CS..SBendtrans-111.510.3-16600000116.7
45K71.9Confident73Confident145 Ų14599.3 Ų99.363%0.6352%0.519SS*.SBendtrans-127.3140.7-177-63.3176.2-175.7172.80109.4S47K45-S47 PolarHBondContact O-N 3.39Å; K45-S47 VanDerWaalsContact O-N 3.16Å
46W82.4Confident74.3Confident72 Ų72101.5 Ų101.527%0.27353%0.533SS..  trans-49.8121.7162.4-70.682.7000108.2L21 T25 L28 E50 V51 L54L21-W46 HydrophobicContact CD2-CH2 4.07Å; T25-W46 WeakPolarHBondContact OG1-CZ2 3.26Å; L28-W46 HydrophobicContact CD1-CD2 4.21Å; L28-W46 HydrophobicContact CD1-CG 4.05Å; L28-W46 HydrophobicContact CD1-CZ2 4.41Å; W46-E50 HydrophobicContact CE3-CB 3.85Å; W46-E50 HydrophobicContact CZ3-CB 4.37Å; W46-V51 HydrophobicContact CB-CG2 3.68Å; W46-V51 HydrophobicContact CG-CG2 4.48Å; W46-L54 HydrophobicContact CH2-CD2 4.45Å; W46-L54 HydrophobicContact CZ3-CD2 4.26Å
47S84.2Confident75.8Confident51 Ų5197.7 Ų97.736%0.35752%0.521SS..  trans-64.6153.6173.665.40000109.7K45 K49 E50 V51K45-S47 PolarHBondContact O-N 3.39Å; K45-S47 VanDerWaalsContact O-N 3.16Å; S47-K49 PolarHBondContact O-N 3.37Å; S47-E50 VanDerWaalsContact CB-OE2 3.26Å; S47-E50 WeakPolarHBondContact CB-OE2 3.31Å; S47-E50 PolarHBondContact N-OE2 3.39Å; S47-E50 PolarHBondContact O-N 3.31Å; S47-E50 VanDerWaalsContact OG-CD 3.24Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.47Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.45Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.04Å
48Q85.2Confident77.4Confident122 Ų12294.6 Ų94.657%0.5750%0.503SS*.Hα-helixtrans-54-40.7178.7-17862.621.600111.3V51 E52Q48-V51 PolarHBondContact O-N 3.22Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.27Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 2.92Å
49K89.6Confident79.4Confident144 Ų14494.4 Ų94.463%0.62650%0.502SS*.Hα-helixtrans-58.4-49.5173.8-179.7172.7180171.50113.1S47 V51 E52 D53S47-K49 PolarHBondContact O-N 3.37Å; K49-V51 VanDerWaalsContact C-N 3.25Å; K49-V51 PolarHBondContact O-N 2.99Å; K49-E52 PolarHBondContact O-N 3.22Å; K49-E52 VanDerWaalsContact O-N 3.1Å; K49-D53 WeakPolarHBondContact O-CB 3.18Å; K49-D53 PolarHBondContact O-N 3.12Å
50E88.9Confident81.3Confident95 Ų9595.1 Ų95.144%0.44449%0.492SS..Hα-helixtrans-64.8-31179.1-69.3160.4127.200112.3W46 S47 L54W46-E50 HydrophobicContact CE3-CB 3.85Å; W46-E50 HydrophobicContact CZ3-CB 4.37Å; S47-E50 VanDerWaalsContact CB-OE2 3.26Å; S47-E50 WeakPolarHBondContact CB-OE2 3.31Å; S47-E50 PolarHBondContact N-OE2 3.39Å; S47-E50 PolarHBondContact O-N 3.31Å; S47-E50 VanDerWaalsContact OG-CD 3.24Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.47Å; S47-E50 PolarHBondContact OG-N 3.46Å; S47-E50 PolarHBondContact OG-OE2 3.45Å; E50-L54 WeakPolarHBondContact O-CB 3.42Å; E50-L54 PolarHBondContact O-N 3.04Å
51V88.9Confident83.3Confident44 Ų4497.3 Ų97.327%0.26750%0.496SS..Hα-helixtrans-69.1-37.6173176.60000111.3W46 S47 Q48 K49 K55W46-V51 HydrophobicContact CB-CG2 3.68Å; W46-V51 HydrophobicContact CG-CG2 4.48Å; S47-V51 WeakPolarHBondContact O-CG2 3.39Å; S47-V51 PolarHBondContact O-N 3.04Å; Q48-V51 PolarHBondContact O-N 3.22Å; K49-V51 VanDerWaalsContact C-N 3.25Å; K49-V51 PolarHBondContact O-N 2.99Å; V51-K55 HydrophobicContact CG1-CD 4.29Å; V51-K55 WeakPolarHBondContact O-CD 3.34Å; V51-K55 VanDerWaalsContact O-CG 3.23Å; V51-K55 WeakPolarHBondContact O-CG 3.37Å; V51-K55 PolarHBondContact O-N 3.45Å
52E91.2Very high85Confident90 Ų9089.9 Ų89.942%0.42147%0.473SS..Hα-helixtrans-70.6-49.2175.9-74.6164.1-176.700111.6Q48 K49 L54 K55 D56Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.27Å; Q48-E52 WeakPolarHBondContact O-CG 3.38Å; Q48-E52 PolarHBondContact O-N 2.92Å; K49-E52 PolarHBondContact O-N 3.22Å; K49-E52 VanDerWaalsContact O-N 3.1Å; E52-L54 PolarHBondContact O-N 3.34Å; E52-K55 WeakPolarHBondContact O-CB 3.31Å; E52-K55 PolarHBondContact O-N 3.37Å; E52-D56 PolarHBondContact O-N 3.08Å
53D91.8Very high86.7Confident93 Ų9386.2 Ų86.250%0.49745%0.452SS..Hα-helixtrans-53.5-41.3173-73.8-29.8000111.4K49 A57K49-D53 WeakPolarHBondContact O-CB 3.18Å; K49-D53 PolarHBondContact O-N 3.12Å; D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.94Å
54L89.9Confident88.5Confident56 Ų5685.5 Ų85.529%0.29344%0.442SS..Hα-helixtrans-68.1-42.5176.1-178.762.8000112.7L21 W46 E50 E52 I58L21-L54 HydrophobicContact CD1-CD1 4.19Å; W46-L54 HydrophobicContact CH2-CD2 4.45Å; W46-L54 HydrophobicContact CZ3-CD2 4.26Å; E50-L54 WeakPolarHBondContact O-CB 3.42Å; E50-L54 PolarHBondContact O-N 3.04Å; E52-L54 PolarHBondContact O-N 3.34Å; L54-I58 HydrophobicContact CD1-CD1 3.75Å; L54-I58 HydrophobicContact CD1-CG1 4.19Å; L54-I58 HydrophobicContact CG-CD1 3.89Å; L54-I58 WeakPolarHBondContact O-CB 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 3.36Å
55K92.8Very high89.9Confident121 Ų12189.1 Ų89.153%0.52646%0.459SS..Hα-helixtrans-61.4-46.2175.8-77.7165179.8170.50110.9V51 E52 I58 G59V51-K55 HydrophobicContact CG1-CD 4.29Å; V51-K55 WeakPolarHBondContact O-CD 3.34Å; V51-K55 VanDerWaalsContact O-CG 3.23Å; V51-K55 WeakPolarHBondContact O-CG 3.37Å; V51-K55 PolarHBondContact O-N 3.45Å; E52-K55 WeakPolarHBondContact O-CB 3.31Å; E52-K55 PolarHBondContact O-N 3.37Å; K55-I58 PolarHBondContact O-N 3.4Å; K55-G59 PolarHBondContact O-N 2.97Å
56D94.6Very high90.8Very high111 Ų11185.5 Ų85.559%0.59445%0.452SS*.Hα-helixtrans-66.5-42.6-179.9-82.68.9000111.6E52 G59 R60E52-D56 PolarHBondContact O-N 3.08Å; D56-G59 PolarHBondContact O-N 3.48Å; D56-R60 VanDerWaalsContact O-CB 3.3Å; D56-R60 WeakPolarHBondContact O-CB 3.45Å; D56-R60 WeakPolarHBondContact O-CD 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.22Å; D56-R60 PolarHBondContact O-N 3.3Å
57A93.1Very high91.3Very high59 Ų5987.3 Ų87.349%0.48846%0.462SS..Hα-helixtrans-60.5-45.7174.700000112.1D53 F61D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.39Å; D53-A57 PolarHBondContact O-N 2.94Å; A57-F61 VanDerWaalsContact O-CB 3.26Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 3.35Å
58I92.8Very high91.7Very high93 Ų9388.8 Ų88.848%0.47747%0.469SS..Hα-helixtrans-68.3-41.6178-68.6171.2000111.3L54 K55 F61 G62L54-I58 HydrophobicContact CD1-CD1 3.75Å; L54-I58 HydrophobicContact CD1-CG1 4.19Å; L54-I58 HydrophobicContact CG-CD1 3.89Å; L54-I58 WeakPolarHBondContact O-CB 3.44Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.3Å; L54-I58 PolarHBondContact O-N 3.36Å; K55-I58 PolarHBondContact O-N 3.4Å; I58-F61 PolarHBondContact O-N 2.98Å; I58-G62 PolarHBondContact O-N 3.48Å
59G92.8Very high91.8Very high47 Ų4785.1 Ų85.149%0.48546%0.46SS..Hα-helixtrans-62.3-44.3177.800000112.4K55 D56 G62 S63K55-G59 PolarHBondContact O-N 2.97Å; D56-G59 PolarHBondContact O-N 3.48Å; G59-G62 PolarHBondContact O-N 2.94Å; G59-S63 PolarHBondContact O-N 2.94Å
60R94.1Very high91.9Very high182 Ų18284.1 Ų84.169%0.68746%0.457SS*.Hα-helixtrans-63.6-46.6173.6-70.9169.764.6167.21.6111.6D56 G62 S63 D64D56-R60 VanDerWaalsContact O-CB 3.3Å; D56-R60 WeakPolarHBondContact O-CB 3.45Å; D56-R60 WeakPolarHBondContact O-CD 3.23Å; D56-R60 WeakPolarHBondContact O-CG 3.22Å; D56-R60 PolarHBondContact O-N 3.3Å; R60-G62 VanDerWaalsContact C-N 3.34Å; R60-G62 PolarHBondContact O-N 3.42Å; R60-S63 WeakPolarHBondContact O-CB 3.47Å; R60-S63 PolarHBondContact O-N 2.91Å; R60-D64 PolarHBondContact O-N 2.95Å
61F92.3Very high91.9Very high92 Ų9282.3 Ų82.340%0.40446%0.459SS..Hα-helixtrans-58.2-44.1176.6179.5-114.4000112.2F18 A57 I58 D64 L65F18-F61 HydrophobicContact CZ-CE1 4.11Å; A57-F61 VanDerWaalsContact O-CB 3.26Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 3.35Å; I58-F61 PolarHBondContact O-N 2.98Å; F61-D64 PolarHBondContact O-N 3.39Å; F61-L65 HydrophobicContact CD1-CD1 4.06Å; F61-L65 HydrophobicContact CE1-CD1 3.58Å; F61-L65 HydrophobicContact CE1-CG 4.39Å; F61-L65 HydrophobicContact CE2-CD1 4.27Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 3.7Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 3.33Å; F61-L65 PolarHBondContact O-N 2.87Å
62G91.5Very high91.9Very high33 Ų3385 Ų8534%0.3447%0.47SS..Hα-helixtrans-61.5-44.717400000112.9I58 G59 R60 D64 L65 S66I58-G62 PolarHBondContact O-N 3.48Å; G59-G62 PolarHBondContact O-N 2.94Å; R60-G62 VanDerWaalsContact C-N 3.34Å; R60-G62 PolarHBondContact O-N 3.42Å; G62-D64 PolarHBondContact O-N 2.88Å; G62-L65 PolarHBondContact O-N 3.46Å; G62-S66 PolarHBondContact O-N 3.27Å; G62-S66 PolarHBondContact O-OG 3.48Å
63S93.5Very high91.7Very high57 Ų5786.6 Ų86.640%0.39948%0.478SS..Hα-helixtrans-59.6-43.7175.3-175.20000112.3G59 R60 S66 K67G59-S63 PolarHBondContact O-N 2.94Å; R60-S63 WeakPolarHBondContact O-CB 3.47Å; R60-S63 PolarHBondContact O-N 2.91Å; S63-S66 PolarHBondContact O-N 3.2Å; S63-K67 WeakPolarHBondContact O-CG 3.06Å; S63-K67 PolarHBondContact O-N 3.46Å; S63-K67 VanDerWaalsContact O-N 3.1Å; S63-K67 VanDerWaalsContact OG-CE 3.31Å; S63-K67 WeakPolarHBondContact OG-CE 3.38Å; S63-K67 PolarHBondContact OG-NZ 3.11Å
64D94Very high91.5Very high82 Ų8286 Ų8644%0.43948%0.478SS..Hα-helixtrans-70.7-36.1-179.5-69.8-25.6000112.2R60 F61 G62 K67 V68R60-D64 PolarHBondContact O-N 2.95Å; F61-D64 PolarHBondContact O-N 3.39Å; G62-D64 PolarHBondContact O-N 2.88Å; D64-K67 PolarHBondContact O-N 2.81Å; D64-K67 IonicContact OD1-NZ 2.68Å; D64-K67 PolarHBondContact OD1-NZ 2.91Å; D64-V68 WeakPolarHBondContact O-CG2 3.21Å; D64-V68 PolarHBondContact O-N 3.04Å
65L92.8Very high91.4Very high83 Ų8389.7 Ų89.744%0.43549%0.491SS..Hα-helixtrans-61.9-40.5170.3-73.2-179.8000112.3F61 G62 V68 A69F61-L65 HydrophobicContact CD1-CD1 4.06Å; F61-L65 HydrophobicContact CE1-CD1 3.58Å; F61-L65 HydrophobicContact CE1-CG 4.39Å; F61-L65 HydrophobicContact CE2-CD1 4.27Å; F61-L65 HydrophobicContact CE2-CD2 4.41Å; F61-L65 HydrophobicContact CE2-CG 4.26Å; F61-L65 HydrophobicContact CZ-CD1 3.7Å; F61-L65 HydrophobicContact CZ-CD2 4.39Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 3.33Å; F61-L65 PolarHBondContact O-N 2.87Å; G62-L65 PolarHBondContact O-N 3.46Å; L65-V68 PolarHBondContact O-N 3.35Å; L65-A69 PolarHBondContact O-N 2.91Å
66S90.9Very high91Very high69 Ų6987 Ų8748%0.48349%0.485SS..Hα-helixtrans-62.4-45.1175.4-64.10000112.2G62 S63 V68 A69 E70G62-S66 PolarHBondContact O-N 3.27Å; G62-S66 PolarHBondContact O-OG 3.48Å; S63-S66 PolarHBondContact O-N 3.2Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 2.92Å; S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.1Å; S66-E70 WeakPolarHBondContact O-CG 3.42Å; S66-E70 PolarHBondContact O-N 2.8Å
67K93.4Very high90.5Very high110 Ų11085.5 Ų85.548%0.47848%0.476SS..Hα-helixtrans-59-39.7174.7-64.5164.9-156.5159.70112S63 D64 A71S63-K67 WeakPolarHBondContact O-CG 3.06Å; S63-K67 PolarHBondContact O-N 3.46Å; S63-K67 VanDerWaalsContact O-N 3.1Å; S63-K67 VanDerWaalsContact OG-CE 3.31Å; S63-K67 WeakPolarHBondContact OG-CE 3.38Å; S63-K67 PolarHBondContact OG-NZ 3.11Å; D64-K67 PolarHBondContact O-N 2.81Å; D64-K67 IonicContact OD1-NZ 2.68Å; D64-K67 PolarHBondContact OD1-NZ 2.91Å; K67-A71 WeakPolarHBondContact O-CB 3.27Å; K67-A71 PolarHBondContact O-N 3.33Å
68V90.8Very high90.1Very high81 Ų8186.4 Ų86.449%0.49147%0.473SS..Hα-helixtrans-66.8-39.9175.8170.90000111.2D64 L65 S66 A71 I72D64-V68 WeakPolarHBondContact O-CG2 3.21Å; D64-V68 PolarHBondContact O-N 3.04Å; L65-V68 PolarHBondContact O-N 3.35Å; S66-V68 VanDerWaalsContact C-N 3.28Å; S66-V68 PolarHBondContact O-N 2.92Å; V68-A71 PolarHBondContact O-N 3.1Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.85Å
69A88Confident89.8Confident46 Ų4686.7 Ų86.738%0.3847%0.472SS..Hα-helixtrans-62.1-50.7174.700000111.7L65 S66 A71 I72 E73L65-A69 PolarHBondContact O-N 2.91Å; S66-A69 WeakPolarHBondContact O-CB 3.49Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.1Å; A69-A71 VanDerWaalsContact C-N 3.29Å; A69-A71 PolarHBondContact O-N 3.23Å; A69-I72 PolarHBondContact O-N 2.72Å; A69-E73 PolarHBondContact O-N 3.04Å
70E92.3Very high89.1Confident122 Ų12289.5 Ų89.557%0.5748%0.475SS*.Hα-helixtrans-56.4-40.4176-71.6173.2-162.300112.6S66 E73 T74S66-E70 WeakPolarHBondContact O-CG 3.42Å; S66-E70 PolarHBondContact O-N 2.8Å; E70-E73 PolarHBondContact O-N 3.04Å; E70-T74 VanDerWaalsContact O-CB 3.29Å; E70-T74 WeakPolarHBondContact O-CB 3.41Å; E70-T74 PolarHBondContact O-N 2.97Å; E70-T74 PolarHBondContact O-OG1 3.02Å
71A88.1Confident88.6Confident58 Ų5886.6 Ų86.648%0.47947%0.467SS..Hα-helixtrans-67-38.4176.200000112.4K67 V68 A69 K75K67-A71 WeakPolarHBondContact O-CB 3.27Å; K67-A71 PolarHBondContact O-N 3.33Å; V68-A71 PolarHBondContact O-N 3.1Å; A69-A71 VanDerWaalsContact C-N 3.29Å; A69-A71 PolarHBondContact O-N 3.23Å; A71-K75 WeakPolarHBondContact O-CB 3.41Å; A71-K75 PolarHBondContact O-N 3.23Å
72I88.9Confident88.1Confident99 Ų9988.1 Ų88.151%0.50848%0.476SS..Hα-helixtrans-67.9-42.8174.8-70.1166000110.7V68 A69 K75 T76V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.47Å; V68-I72 PolarHBondContact O-N 2.85Å; A69-I72 PolarHBondContact O-N 2.72Å; I72-K75 PolarHBondContact O-N 3.46Å; I72-T76 VanDerWaalsContact O-CB 3.3Å; I72-T76 WeakPolarHBondContact O-CB 3.45Å; I72-T76 PolarHBondContact O-N 3.43Å; I72-T76 PolarHBondContact O-OG1 3.46Å
73E87.3Confident87.6Confident125 Ų12593.5 Ų93.558%0.58449%0.49SS*.Hα-helixtrans-61.6-51.3175.3-73.6-172.8-179.500111.3A69 E70 K75 T76 I77A69-E73 PolarHBondContact O-N 3.04Å; E70-E73 PolarHBondContact O-N 3.04Å; E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 PolarHBondContact O-N 3.11Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 WeakPolarHBondContact O-CA 3.23Å; E73-T76 WeakPolarHBondContact O-CB 3.41Å; E73-T76 PolarHBondContact O-N 3.45Å; E73-I77 WeakPolarHBondContact O-CG1 3.49Å; E73-I77 PolarHBondContact O-N 3.35Å
74T87Confident86.9Confident80 Ų8096.6 Ų96.649%0.49150%0.501SS..Hα-helixtrans-55.7-45.3177.4-62.50000111.3E70 N78E70-T74 VanDerWaalsContact O-CB 3.29Å; E70-T74 WeakPolarHBondContact O-CB 3.41Å; E70-T74 PolarHBondContact O-N 2.97Å; E70-T74 PolarHBondContact O-OG1 3.02Å; T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 VanDerWaalsContact O-CG 3.23Å; T74-N78 PolarHBondContact O-N 3.29Å; T74-N78 PolarHBondContact O-ND2 2.89Å
75K87.6Confident86.1Confident134 Ų13499.2 Ų99.258%0.58351%0.509SS*.Hα-helixtrans-63-41.2175.1-177.3175.7-178.8175.10112.2A71 I72 E73 N78 Q79A71-K75 WeakPolarHBondContact O-CB 3.41Å; A71-K75 PolarHBondContact O-N 3.23Å; I72-K75 PolarHBondContact O-N 3.46Å; E73-K75 VanDerWaalsContact C-N 3.29Å; E73-K75 PolarHBondContact O-N 3.11Å; K75-N78 PolarHBondContact O-N 3.18Å; K75-Q79 WeakPolarHBondContact O-CB 3.45Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.49Å; K75-Q79 PolarHBondContact O-N 3.47Å
76T85.8Confident85.3Confident63 Ų6398.5 Ų98.539%0.38751%0.508SS..Hα-helixtrans-67.6-45.3179.4-58.90000111.3I72 E73 N78 Q79 I80I72-T76 VanDerWaalsContact O-CB 3.3Å; I72-T76 WeakPolarHBondContact O-CB 3.45Å; I72-T76 PolarHBondContact O-N 3.43Å; I72-T76 PolarHBondContact O-OG1 3.46Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 WeakPolarHBondContact O-CA 3.23Å; E73-T76 WeakPolarHBondContact O-CB 3.41Å; E73-T76 PolarHBondContact O-N 3.45Å; T76-N78 VanDerWaalsContact C-N 3.32Å; T76-N78 PolarHBondContact O-N 3.43Å; T76-Q79 PolarHBondContact O-N 2.63Å; T76-I80 HydrophobicContact CG2-CD1 4.01Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.16Å
77I83Confident84.3Confident81 Ų81103.9 Ų103.942%0.41552%0.517SS..Hα-helixtrans-58.7-44.9173.6-67.8164.8000110.3E73 I80 K81E73-I77 WeakPolarHBondContact O-CG1 3.49Å; E73-I77 PolarHBondContact O-N 3.35Å; I77-I80 PolarHBondContact O-N 2.8Å; I77-K81 HydrophobicContact CG2-CD 4.04Å; I77-K81 WeakPolarHBondContact O-CB 3.22Å; I77-K81 VanDerWaalsContact O-CG 3.31Å; I77-K81 WeakPolarHBondContact O-CG 3.26Å; I77-K81 PolarHBondContact O-N 3.16Å
78N85.9Confident83.1Confident77 Ų77101.3 Ų101.341%0.41252%0.517SS..Hα-helixtrans-65.2-39.3177.2-74.3-24.1000112.3T74 K75 T76 K81 Q82T74-N78 WeakPolarHBondContact O-CB 3.31Å; T74-N78 VanDerWaalsContact O-CG 3.23Å; T74-N78 PolarHBondContact O-N 3.29Å; T74-N78 PolarHBondContact O-ND2 2.89Å; K75-N78 PolarHBondContact O-N 3.18Å; T76-N78 VanDerWaalsContact C-N 3.32Å; T76-N78 PolarHBondContact O-N 3.43Å; N78-K81 PolarHBondContact O-N 2.85Å; N78-Q82 WeakPolarHBondContact O-CB 3.42Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.05Å
79Q85.5Confident81.8Confident99 Ų99102.1 Ų102.146%0.46351%0.514SS..Hα-helixtrans-65.9-40.5173.3-75.2-179.91.200112.4K75 T76 Q82 K83K75-Q79 WeakPolarHBondContact O-CB 3.45Å; K75-Q79 VanDerWaalsContact O-CG 3.31Å; K75-Q79 WeakPolarHBondContact O-CG 3.49Å; K75-Q79 PolarHBondContact O-N 3.47Å; T76-Q79 PolarHBondContact O-N 2.63Å; Q79-Q82 PolarHBondContact O-N 3.2Å; Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 VanDerWaalsContact O-CG 3.28Å; Q79-K83 WeakPolarHBondContact O-CG 3.43Å; Q79-K83 PolarHBondContact O-N 3.23Å
80I78.8Confident80.9Confident107 Ų107106.4 Ų106.455%0.54953%0.526SS..Hα-helixtrans-62.2-47.2173.9-68.8164.9000110.1T76 I77 Q82 K83 L84T76-I80 HydrophobicContact CG2-CD1 4.01Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.49Å; T76-I80 PolarHBondContact O-N 3.16Å; I77-I80 PolarHBondContact O-N 2.8Å; I80-Q82 PolarHBondContact O-N 3.28Å; I80-K83 PolarHBondContact O-N 2.98Å; I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 PolarHBondContact O-N 3.06Å
81K82.3Confident79.4Confident120 Ų120108 Ų10852%0.52254%0.538SS..Hα-helixtrans-59.3-43.4175.5-74.3172.4179.9174.10111.9I77 N78 L84 K85I77-K81 HydrophobicContact CG2-CD 4.04Å; I77-K81 WeakPolarHBondContact O-CB 3.22Å; I77-K81 VanDerWaalsContact O-CG 3.31Å; I77-K81 WeakPolarHBondContact O-CG 3.26Å; I77-K81 PolarHBondContact O-N 3.16Å; N78-K81 PolarHBondContact O-N 2.85Å; K81-L84 PolarHBondContact O-N 3.27Å; K81-K85 WeakPolarHBondContact O-CB 3.41Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.44Å
82Q83.6Confident78.1Confident125 Ų125108.4 Ų108.458%0.58454%0.542SS*.Hα-helixtrans-63.1-48.6174.8-78.3177.1-21.100111.5N78 Q79 I80 L84 K85 T86N78-Q82 WeakPolarHBondContact O-CB 3.42Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.05Å; Q79-Q82 PolarHBondContact O-N 3.2Å; I80-Q82 PolarHBondContact O-N 3.28Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.24Å; Q82-K85 PolarHBondContact O-N 3.37Å; Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.45Å; Q82-T86 VanDerWaalsContact O-OG1 3.06Å
83K81Confident76.2Confident146 Ų146106.8 Ų106.864%0.63555%0.55SS**Hα-helixtrans-63.8-34.6178.1-69.5-63.4-178.2-1730112.5Q79 I80 R87Q79-K83 WeakPolarHBondContact O-CB 3.36Å; Q79-K83 VanDerWaalsContact O-CG 3.28Å; Q79-K83 WeakPolarHBondContact O-CG 3.43Å; Q79-K83 PolarHBondContact O-N 3.23Å; I80-K83 PolarHBondContact O-N 2.98Å; K83-R87 VanDerWaalsContact O-CB 3.29Å; K83-R87 WeakPolarHBondContact O-CB 3.14Å; K83-R87 VanDerWaalsContact O-CG 3.25Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 2.73Å
84L78.8Confident74.7Confident121 Ų121105.2 Ų105.263%0.63455%0.545SS*.Hα-helixtrans-68.7-44.3173.8-175.862000111.4I80 K81 Q82 R87 A88I80-L84 WeakPolarHBondContact O-CB 3.42Å; I80-L84 PolarHBondContact O-N 3.06Å; K81-L84 PolarHBondContact O-N 3.27Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 3.24Å; L84-R87 PolarHBondContact O-N 3.44Å; L84-A88 WeakPolarHBondContact O-CB 3.39Å; L84-A88 PolarHBondContact O-N 2.96Å
85K76.6Confident72.6Confident138 Ų138104 Ų10460%0.655%0.549SS*.Hα-helixtrans-58.5-52.6172.5-76.4-179.7176.8-170.70111.4K81 Q82 R87 A88 F89K81-K85 WeakPolarHBondContact O-CB 3.41Å; K81-K85 WeakPolarHBondContact O-CG 3.45Å; K81-K85 PolarHBondContact O-N 3.44Å; Q82-K85 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.95Å; K85-A88 PolarHBondContact O-N 3.27Å; K85-A88 VanDerWaalsContact O-N 3.11Å; K85-F89 HydrophobicContact CB-CD2 4.45Å; K85-F89 HydrophobicContact CB-CE2 4.17Å; K85-F89 WeakPolarHBondContact O-CD2 3.28Å; K85-F89 PolarHBondContact O-N 2.98Å
86T76.7Confident70.7Confident68 Ų68105.9 Ų105.942%0.41757%0.565SS.*Hα-helixtrans-59.8-39.1178.2-55.20000112.1Q82 F89 Q90Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.45Å; Q82-T86 VanDerWaalsContact O-OG1 3.06Å; T86-F89 PolarHBondContact O-N 3.46Å; T86-Q90 WeakPolarHBondContact O-CB 3.37Å; T86-Q90 VanDerWaalsContact O-CG 3.32Å; T86-Q90 WeakPolarHBondContact O-CG 3.4Å; T86-Q90 PolarHBondContact O-N 2.85Å
87R69.1Low69.1Low181 Ų181108.2 Ų108.268%0.68357%0.574SS**Hα-helixtrans-64.6-45.1172.7-79.2176.8179.7-126.42.5111.7K83 L84 K85 F89 Q90 D91K83-R87 VanDerWaalsContact O-CB 3.29Å; K83-R87 WeakPolarHBondContact O-CB 3.14Å; K83-R87 VanDerWaalsContact O-CG 3.25Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 2.73Å; L84-R87 PolarHBondContact O-N 3.44Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 2.95Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 3.02Å; R87-Q90 PolarHBondContact O-N 2.92Å; R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 PolarHBondContact O-N 3.2Å
88A67.9Low67.1Low57 Ų57109 Ų10947%0.47159%0.586SS.*Hα-helixtrans-61.3-39.1177.200000112.4L84 K85 A92L84-A88 WeakPolarHBondContact O-CB 3.39Å; L84-A88 PolarHBondContact O-N 2.96Å; K85-A88 PolarHBondContact O-N 3.27Å; K85-A88 VanDerWaalsContact O-N 3.11Å; A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.75Å
89F64.7Low65.6Low97 Ų97111.1 Ų111.143%0.42560%0.597SS.*Hα-helixtrans-67-41.5173.5-68.6-61.1000112.5K85 T86 R87 G93 L94K85-F89 HydrophobicContact CB-CD2 4.45Å; K85-F89 HydrophobicContact CB-CE2 4.17Å; K85-F89 WeakPolarHBondContact O-CD2 3.28Å; K85-F89 PolarHBondContact O-N 2.98Å; T86-F89 PolarHBondContact O-N 3.46Å; R87-F89 VanDerWaalsContact C-N 3.33Å; R87-F89 PolarHBondContact O-N 3.02Å; F89-G93 PolarHBondContact O-N 3.3Å; F89-L94 HydrophobicContact CD1-CD1 4.5Å; F89-L94 CarbonylContact O-C 3.53Å; F89-L94 WeakPolarHBondContact O-CA 3.31Å; F89-L94 PolarHBondContact O-N 2.84Å
90Q68.7Low63.7Low137 Ų137113.6 Ų113.664%0.6461%0.609SS**Hα-helixtrans-66.3-41.3175.3-74.1176.42.800112.8T86 R87 G93T86-Q90 WeakPolarHBondContact O-CB 3.37Å; T86-Q90 VanDerWaalsContact O-CG 3.32Å; T86-Q90 WeakPolarHBondContact O-CG 3.4Å; T86-Q90 PolarHBondContact O-N 2.85Å; R87-Q90 PolarHBondContact O-N 2.92Å; Q90-G93 PolarHBondContact O-N 2.95Å
91D60.1Low62.1Low154 Ų154115.5 Ų115.582%0.82462%0.62SS**Hα-helixtrans-74.3-32-177.8-158.448.1000111.7R87 G93R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 PolarHBondContact O-N 3.2Å; D91-G93 PolarHBondContact O-N 2.88Å
92A61.3Low60.4Low67 Ų67117.4 Ų117.455%0.55463%0.631SS**THydrogen-bonded Turntrans-76.45.1169.800000114A88 L94A88-A92 WeakPolarHBondContact O-CB 3.33Å; A88-A92 PolarHBondContact O-N 2.75Å; A92-L94 HydrophobicContact CB-CD1 4.03Å; A92-L94 PolarHBondContact O-N 3.22Å
93G48.5Very low58.4Low66 Ų66116 Ų11668%0.6864%0.641SS**THydrogen-bonded Turntrans70.38.8-179.900000115.1F89 Q90 D91 G95F89-G93 PolarHBondContact O-N 3.3Å; Q90-G93 PolarHBondContact O-N 2.95Å; D91-G93 PolarHBondContact O-N 2.88Å; G93-G95 PolarHBondContact O-N 3.1Å
94L56Low56.9Low92 Ų92114.7 Ų114.748%0.48264%0.644SS.*  trans-85.959.3179-68.8157000110.2F89 A92 I97F89-L94 HydrophobicContact CD1-CD1 4.5Å; F89-L94 CarbonylContact O-C 3.53Å; F89-L94 WeakPolarHBondContact O-CA 3.31Å; F89-L94 PolarHBondContact O-N 2.84Å; A92-L94 HydrophobicContact CB-CD1 4.03Å; A92-L94 PolarHBondContact O-N 3.22Å; L94-I97 HydrophobicContact CD2-CD1 4.15Å
95G42.3Very low55.2Low55 Ų55115.8 Ų115.857%0.56765%0.651SS**  trans-74.7146.3166.100000111.4G93G93-G95 PolarHBondContact O-N 3.1Å
96D49.2Very low53.7Low172 Ų172115.1 Ų115.192%0.9266%0.659SS**  trans61.538.1171.6-64-10.9000118.1
97I51.2Low52.2Low113 Ų113121 Ų12158%0.57968%0.681SS**  trans-98.5104.4148.1-6.6176.8000109.7L94 L99L94-I97 HydrophobicContact CD2-CD1 4.15Å; I97-L99 PolarHBondContact O-N 3.5Å
98S42.1Very low51Low96 Ų96118.5 Ų118.567%0.67169%0.686SS**  trans-65.596.7165.7-169.90000108.5E100S98-E100 PolarHBondContact O-N 3.28Å
99L53.7Low49.9Very low122 Ų122125.2 Ų125.264%0.63971%0.705SS**  trans-75.660.7173.9-80.1160.9000110.7I97I97-L99 PolarHBondContact O-N 3.5Å
100E45.6Very low48.7Very low152 Ų152126.5 Ų126.571%0.7172%0.723SS**  trans-86.6117.8154.6-71.9-169.9137.400108.2S98S98-E100 PolarHBondContact O-N 3.28Å
101N43.8Very low47.5Very low147 Ų147129.6 Ų129.679%0.78673%0.734SS**  trans63.268.1158.3-48.8-41.1000118.2
102E47Very low46.8Very low160 Ų160126.3 Ų126.375%0.74873%0.729SS**  trans-87.699.1153-87.3-83.488.700109.4
103A43.1Very low46Very low96 Ų96128.8 Ų128.879%0.79374%0.737SS**  trans-13455.7173.500000109.8
104V48.2Very low46.1Very low117 Ų117131.8 Ų131.871%0.70974%0.743SS**  trans-152.3141.3-175.9176.10000106
105D42.5Very low45.6Very low144 Ų144133.5 Ų133.577%0.7776%0.759SS**  cis-157.9148-24.1-176.38.1000106.1E107D105-E107 PolarHBondContact O-N 2.76Å
106T45.7Very low45.7Very low125 Ų125138.5 Ų138.577%0.76777%0.773SS**  trans-84.498.3-179.543.60000110.8T108T106-T108 PolarHBondContact O-N 2.99Å
107E44.4Very low45.7Very low191 Ų191134 Ų13489%0.89376%0.76SS**  trans-65.299.7172.2-172.7-178.811600110.8D105D105-E107 PolarHBondContact O-N 2.76Å
108T44.5Very low46Very low128 Ų128134.9 Ų134.979%0.78577%0.77SS**  trans-159112.6152.9-0.90000113.6T106T106-T108 PolarHBondContact O-N 2.99Å
109K46Very low46.1Very low198 Ų198136.3 Ų136.386%0.86178%0.777SS**  trans84.5120.7152.6-153.6173.4-173.2175.10118.4
110P38.2Very low46.3Very low125 Ų125137 Ų13781%0.81279%0.786SS**  trans-97.2144.2-176.836.4-33.8000114.2
111K44.6Very low46.6Very low201 Ų201136.7 Ų136.787%0.87479%0.785SS**  trans-164.1111144.6-156.4163.4-177.9176.90114.4
112A44.6Very low46.9Very low85 Ų85139.7 Ų139.770%0.70279%0.785SS**  trans49.5132.2147.300000121.8
113T44.2Very low46.9Very low119 Ų119136 Ų13673%0.7379%0.791SS**  162.4114.3102.8-65.20000113.5
114T49.9Very low47.3Very low130 Ų130143.3 Ų143.380%0.79880%0.798SS**  trans59.4136.5158.151.80000123.2
115P46.9Very low47.6Very low127 Ų127149.6 Ų149.683%0.82581%0.809SS**  trans-106162.3171.940.5-33.3000114.1
116N43.6Very low48.1Very low160 Ų160152.4 Ų152.486%0.85681%0.814SS**  trans-161.1149.2152.8-154.30.1000114.1
117A49.1Very low48.8Very low78 Ų78155.5 Ų155.565%0.64582%0.82SS**  trans57.1138.8162.400000119.5
118T57.9Low49Very low131 Ų131151.1 Ų151.180%0.80482%0.817SS**  cis-163.1146.5-3.616.10000109
119P45.2Very low49.3Very low126 Ų126152.7 Ų152.782%0.81882%0.819SS**  trans-109.9123-177.736.3-27.5000115.4
120V56.3Low49.5Very low137 Ų137148.8 Ų148.883%0.8381%0.808SS**  trans-155130.8-178.2169.50000107.7
121E52.6Low50.1Low145 Ų145151.1 Ų151.168%0.67881%0.808SS**  cis-152.3-134.9-6.6-133.3-137.556.200114.3
122R49.2Very low50.6Low210 Ų210150 Ų15079%0.79281%0.808SS**  trans-93.1148.7-172.1-63.8167.1176.292.8-0.1115.7
123G48.7Very low51.1Low84 Ų84151.4 Ų151.487%0.86681%0.812SS**  trans-17210816200000114.3
124R50.8Low51.4Low249 Ų249154.5 Ų154.594%0.9482%0.819SS**  trans-129.8110.3-166.9178-167.4-171.9-177.94.8112.9
125R54.8Low51.8Low249 Ų249153.1 Ų153.194%0.9481%0.812SS**  trans-162.7140.8151.7-127.8167.9171.9141.5-3.8113.9
126K53.8Low52.4Low202 Ų202153.8 Ų153.888%0.87881%0.813SS**  trans-114.1138.1175.2-60.8179.3175.5-173.10110.1
127Q59.2Low52.8Low190 Ų190153.5 Ų153.589%0.88881%0.812SS**  trans-153.7115.5147.2-62.7-169.4-53.200105
128A49.5Very low53Low100 Ų100157.2 Ų157.283%0.82682%0.817SS**  71.3111.560.800000113.7
129L50.5Low53.1Low160 Ų160159.2 Ų159.284%0.83882%0.817SS**  177.2143.2110.4-164.957.3000113.6
130N50.3Low53.9Low117 Ų117158.6 Ų158.663%0.62681%0.813SS**  trans-15.9142.2169.1-65.91.5000120.2
131Q50.7Low53.6Low173 Ų173157.3 Ų157.381%0.80881%0.808SS**  68110.957.6-69.7-170.695.100116.1
132M54.1Low53.9Low179 Ų179160 Ų16088%0.88282%0.818SS**  trans-170116.2149.8-94.8160.8-15600105.9
133S55.1Low53.6Low113 Ų113162 Ų16279%0.7983%0.825SS**  65.9131.992.4-53.30000113.8
134E52.4Low54Low185 Ų185163.2 Ų163.286%0.86482%0.82SS**  cis-160177.7-5.7-115.4-154.2150.200109.3
135P57.6Low53.6Low101 Ų101163.2 Ų163.266%0.65682%0.82SS**  trans-97.3-164.5-166.840.6-38.6000115.9
136V58.4Low53.4Low140 Ų140155.7 Ų155.785%0.84881%0.806SS**  trans69.9124.6174.3-57.40000116.4
137D53.6Low53.1Low155 Ų155153.3 Ų153.383%0.82980%0.803SS**  -148.7157.167.3-151.6-9.4000115
138M51.9Low53Low155 Ų155150 Ų15076%0.76480%0.795SS**  trans-95.5147.2175.2-85.2167.742.800110.7
139H59.8Low52.7Low173 Ų173152.3 Ų152.380%0.80179%0.794SS**  trans168.2117.1134.5-88.7-56.1000112.7
140P62.6Low52.7Low113 Ų113151.7 Ų151.773%0.73479%0.791SS**  trans-113.4-175131.638.4-31.9000108.5
141P51.3Low52.8Low111 Ų111153.4 Ų153.472%0.72180%0.799SS**  cis-122.3-161.8-11.339.7-23.3000110.9
142K57.2Low52.2Low202 Ų202153.1 Ų153.188%0.87880%0.803SS**  -177.4143.6119.8-98.1178.7-166.5-175.60112.8
143R43.1Very low51.5Low251 Ų251152 Ų15295%0.94780%0.796SS**  trans-72.3145.8169.9-69.4167.9162.1169.4-7.6109.9
144S56.5Low50.6Low109 Ų109155.8 Ų155.876%0.76279%0.794SS**  trans-135.5120.6154.6-164.90000109.8
145R42.3Very low50.4Low249 Ų249154.1 Ų154.194%0.9480%0.797SS**  trans-127.3123.3163.4-67.6179.392172.27.3105.3
146S51.4Low49.4Very low91 Ų91156.8 Ų156.864%0.63681%0.806SS**  trans-162.6131.917255.10000109.9
147N47.1Very low48.5Very low153 Ų153160.3 Ų160.382%0.81881%0.805SS**  trans65149.8156.1-75-7.8000117.8
148V57.6Low47.8Very low121 Ų121157.4 Ų157.473%0.73380%0.803SS**  cis-135.7162.12.4-930000110.2
149D44Very low47.4Very low148 Ų148155 Ų15579%0.79180%0.801SS**  trans-41.3136.5152.3-56-104.6000112.9
150D49.6Very low46.3Very low147 Ų147156.3 Ų156.379%0.78681%0.808SS**  trans-162.9151.6139.7-129.2-37.5000112.8
151L53Low45.8Very low152 Ų152157 Ų15780%0.79681%0.809SS**  trans63.466.9164.4-55.9174.1000119.1
152N38.6Very low45.1Very low167 Ų167159 Ų15989%0.89381%0.81SS**  trans-95.184.8142.2173.387.1000108.8
153E37.6Very low44.8Very low155 Ų155155.1 Ų155.172%0.72480%0.802SS**  trans-157.6139.3171.6-163.5140.6-158.900112.3
154Y36.7Very low44.6Very low193 Ų193149.4 Ų149.476%0.75779%0.786SS**  trans56.3100.5173.2-86.5-120.5000118.8
155T48.9Very low44Very low150 Ų150151.7 Ų151.792%0.9279%0.79SS**  -162.397113.831.30000109.5
156N37.3Very low44.6Very low158 Ų158148.3 Ų148.385%0.84578%0.782SS**  trans-131.272.5170.7-162.92.7000108.7
157Y37.6Very low44.2Very low214 Ų214153.7 Ų153.784%0.83979%0.794SS**  trans-155.6105177.7-94-74.1000110.3
158A39.2Very low44.2Very low94 Ų94151.7 Ų151.778%0.77779%0.792SS**  trans-165.275.2159.200000106.8
159S45Very low43.3Very low104 Ų104152 Ų15273%0.72779%0.79SS**  75.594.195.9-66.60000112.3V161S159-V161 PolarHBondContact O-N 3.42Å
160E36.2Very low43.6Very low200 Ų200153.6 Ų153.694%0.93579%0.792SS**  trans-50132.2158.3-69.815496.700110.1
161V50.8Low43.1Very low127 Ų127152.1 Ų152.177%0.7779%0.791SS**  trans-126.899.5163.9-175.40000108S159 V163S159-V161 PolarHBondContact O-N 3.42Å; V161-V163 HydrophobicContact CG1-CG2 4.33Å; V161-V163 PolarHBondContact O-N 3.2Å
162E37.4Very low42.4Very low155 Ų155149.4 Ų149.472%0.72479%0.79SS**  trans-60.3122.8169.4-176.4-170.715900110.2Q164E162-Q164 PolarHBondContact OE1-NE2 2.99Å
163V51.2Low42.7Very low119 Ų119146.3 Ų146.372%0.72178%0.782SS**  trans-131.5109.9163.8-175.10000108.9V161V161-V163 HydrophobicContact CG1-CG2 4.33Å; V161-V163 PolarHBondContact O-N 3.2Å
164Q37.8Very low43Very low132 Ų132145.5 Ų145.562%0.61778%0.782SS**  trans-78.7126.3172-59.4174.512.300109.2E162E162-Q164 PolarHBondContact OE1-NE2 2.99Å
165D45.1Very low43.2Very low157 Ų157143.3 Ų143.384%0.8478%0.784SS**  trans-120.6120.5166.6-114.6-50.3000111.4
166K55.7Low43.1Very low177 Ų177145.6 Ų145.677%0.7778%0.781SS**  trans-103.4128.4-173.3-78.4178178.9167.60111.1
167K42.5Very low43.2Very low204 Ų204141.9 Ų141.989%0.88777%0.767SS**  trans-80.5127.6-174.9-175.2178.1-176.6176.30113.1
168S46.9Very low43.4Very low112 Ų112141.6 Ų141.678%0.78377%0.766SS**  trans-164.4102159.7-173.20000107.1
169N38.7Very low43.6Very low128 Ų128142.6 Ų142.668%0.68477%0.768SS**  64.187.452.1-16032.1000115.2
170Q49.2Very low43.3Very low181 Ų181144.9 Ų144.985%0.84677%0.771SS**  -166.2162.3118.2-101-152.1-19.300112.3
171P40.6Very low43.8Very low115 Ų115143.1 Ų143.175%0.74776%0.763SS**  trans-111.9179.1-152.942.5-36.5000116.8
172A36.7Very low43.4Very low96 Ų96143.5 Ų143.579%0.79376%0.761SS**  trans-45.8154.7-179.400000118.6
173S46.4Very low44Very low102 Ų102141.6 Ų141.671%0.71376%0.76SS**  -167.8145.6125.948.10000114.6
174N43.9Very low43.9Very low137 Ų137142 Ų14273%0.73376%0.763SS**  trans72.296.6147.2-59.9-17.5000123
175N39.4Very low44.1Very low147 Ų147141.8 Ų141.879%0.78677%0.772SS**  57.6148.3111.9-63.6-3.7000123.3
176K47.5Very low44.1Very low199 Ų199142.3 Ų142.387%0.86577%0.77SS**  trans85.8142173.1-62.2179.5175.7177.60115
177S40Very low43.4Very low80 Ų80143.3 Ų143.356%0.55977%0.774SS**  cis-170.3153.3-12.5-110.20000109.7
178Y40.5Very low44.1Very low208 Ų208140.5 Ų140.582%0.81677%0.769SS**  trans35117.2151.4-47.8-61.5000120
179S44.4Very low44Very low115 Ų115142.3 Ų142.380%0.80477%0.77SS**  168.4130.893.1-84.10000112
180N37.9Very low44.4Very low151 Ų151143.4 Ų143.481%0.80778%0.776SS**  trans-73.6149.2164.6-58.2-26.3000109.5
181E47.2Very low44.1Very low164 Ų164137.5 Ų137.577%0.76676%0.763SS**  -177.1148.8121.447.5-162.582.700114.4
182N43.2Very low44.6Very low135 Ų135140.6 Ų140.672%0.72277%0.767SS**  trans72.2146.4153.8-67.9-23.9000119.8
183V49.2Very low45Very low115 Ų115143.4 Ų143.470%0.69777%0.769SS**  cis-162.5145.4-18.499.40000110.2
184T49.7Very low44.6Very low128 Ų128144.8 Ų144.879%0.78577%0.767SS**  trans24154.3164.337.80000125.3
185P42.3Very low44.5Very low126 Ų126146.1 Ų146.182%0.81877%0.774SS**  trans-94.2151.9-167.237.9-35.9000114.8
186Q44.4Very low44.5Very low169 Ų169148 Ų14879%0.7977%0.774SS**  trans-105.1117.4172.1-175.4169.2-25.400111.6
187K41.7Very low44.6Very low197 Ų197147.3 Ų147.386%0.85777%0.774SS**  trans-60.6142.5163.5-66.4177.7175.5-177.50109.9
188N56.5Low44.6Very low146 Ų146153 Ų15378%0.78179%0.789SS**  trans-141.7129.3143-82.2-38.4000107.8
189D43.8Very low45.4Very low150 Ų150148.7 Ų148.780%0.80279%0.787SS**  trans-85.2-165.7171.5-152.2-28.8000108.9
190D48.6Very low45.8Very low151 Ų151149.6 Ų149.681%0.80779%0.787SS**  trans80.791.8166.7-56-44.7000117.7
191G43.1Very low45.8Very low56 Ų56146.3 Ų146.358%0.57779%0.788SS**  99.2124.5105.700000119.6
192H49.2Very low45.8Very low180 Ų180143.8 Ų143.883%0.83379%0.789SS**  trans65.6115.2152.7-38.5-74000116.7
193N46.5Very low46.2Very low155 Ų155143.1 Ų143.183%0.82979%0.79SS**  -162.7160.465.5-125.3-53.9000115.4
194I37.7Very low45.9Very low132 Ų132146 Ų14668%0.67780%0.801SS**  trans-84.2122.2179.8-61.9159.5000109.1K196I194-K196 HydrophobicContact CG2-CG 4.37Å
195L41.3Very low45.6Very low165 Ų165144.6 Ų144.686%0.86480%0.796SS**  trans-134107.9156.4-142.772000112.6Q197L195-Q197 PolarHBondContact O-N 3.42Å
196K39.2Very low45.7Very low185 Ų185144 Ų14480%0.80480%0.795SS**  trans-66.4121174.6-60.4158.2178.91700109.3I194I194-K196 HydrophobicContact CG2-CG 4.37Å
197Q49.5Very low45.8Very low185 Ų185142.9 Ų142.986%0.86480%0.799SS**  trans-146.4115.9153.4-109.2172.734.500110.9L195L195-Q197 PolarHBondContact O-N 3.42Å
198K41.6Very low46.1Very low200 Ų200141.6 Ų141.687%0.8780%0.801SS**  trans-83.8143.8163-73.2176.5170.2-179.70108.1
199P55.7Low45.3Very low118 Ų118140.5 Ų140.577%0.76681%0.805SS**  trans-106.9110.4139.229.6-21.4000109.9
200V53.8Low45.8Very low134 Ų134142.7 Ų142.781%0.81281%0.807SS**  trans1.2125.6134.4-75.30000116.2
201G37Very low46.1Very low81 Ų81141.3 Ų141.384%0.83581%0.806SS**  trans-67.2142-176.200000114
202S48.6Very low46.8Very low111 Ų111145.8 Ų145.878%0.77682%0.815SS**  trans-99.5116.8170.3-166.70000109.5L204S202-L204 PolarHBondContact O-N 3.47Å
203T49.9Very low46.8Very low121 Ų121142.4 Ų142.474%0.74281%0.812SS**  trans-78.1109.9177.547.50000110.3S205T203-S205 PolarHBondContact O-N 2.91Å
204L44.2Very low46.7Very low176 Ų176142.6 Ų142.692%0.92181%0.812SS**  trans-71.988.1173.2-64.2179.5000110.6S202S202-L204 PolarHBondContact O-N 3.47Å
205S42.1Very low47.4Very low99 Ų99140.7 Ų140.769%0.69282%0.816SS**  trans-135.474.9-179.657.40000112.2T203T203-S205 PolarHBondContact O-N 2.91Å
206S44.5Very low47.4Very low114 Ų114143.9 Ų143.980%0.79782%0.816SS**  trans-174.672.1157.4-179.90000113.4
207V47.6Very low48.2Very low144 Ų144141.1 Ų141.187%0.87382%0.82SS**  trans-142.142.8169-71.40000114.1
208L47Very low48.1Very low171 Ų171138.5 Ų138.590%0.89581%0.813SS**  trans-159.494.3164.4-143.569.6000113.2
209S40.7Very low48.4Very low123 Ų123134.9 Ų134.986%0.8681%0.807SS**  trans-167.473.1165.6-83.60000112.2
210K53.7Low47.9Very low196 Ų196134.2 Ų134.285%0.85281%0.805SS**  trans-137.1113155.2-75.4-173.2178.4177.30108.2I212K210-I212 PolarHBondContact O-N 3.24Å
211P56.1Low47.3Very low121 Ų121135.3 Ų135.379%0.78681%0.806SS**  trans-71.6126.6172.729.3-31.7000109.1S213P211-S213 PolarHBondContact O-N 3.38Å
212I55.8Low47.6Very low151 Ų151140.6 Ų140.677%0.77481%0.807SS**  trans-74.5109.4168.3-73.2176.4000107.5K210 L214K210-I212 PolarHBondContact O-N 3.24Å; I212-L214 HydrophobicContact CG2-CD1 3.45Å; I212-L214 VanDerWaalsContact CG2-CD1 3.45Å; I212-L214 PolarHBondContact O-N 2.99Å
213S50.7Low47.3Very low108 Ų108140.4 Ų140.476%0.75580%0.797SS**  trans-78.594.6173-670000110.4P211 A215P211-S213 PolarHBondContact O-N 3.38Å; S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.42Å
214L44.8Very low47.3Very low159 Ų159141.6 Ų141.683%0.83280%0.799SS**  trans-7289.2162.4-100.367.7000109.2I212I212-L214 HydrophobicContact CG2-CD1 3.45Å; I212-L214 VanDerWaalsContact CG2-CD1 3.45Å; I212-L214 PolarHBondContact O-N 2.99Å
215A51.1Low47.2Very low92 Ų92141.1 Ų141.176%0.7679%0.785SS**  trans-82.4118.716400000109.1S213S213-A215 VanDerWaalsContact C-N 3.33Å; S213-A215 PolarHBondContact O-N 3.42Å
216R41.5Very low47.5Very low232 Ų232144.5 Ų144.588%0.87579%0.789SS**  trans-68.1138168.8-79.5173.4158.5-176.2-8.2109.9
217S57Low47.5Very low127 Ų127151.3 Ų151.389%0.88880%0.797SS**  trans-106.3119.4161.1-57.50000108.3
218D46.2Very low47.6Very low131 Ų131153.7 Ų153.770%0.70180%0.796SS**  trans-92.4142.6178.2-113-54.9000111.3
219V48.2Very low47.2Very low123 Ų123152.2 Ų152.275%0.74579%0.794SS**  trans15.1125.7162.1-71.70000119.3
220S45.9Very low47.4Very low105 Ų105152.5 Ų152.573%0.73479%0.791SS**  174.2157.873.143.20000113.1
221N41.5Very low47Very low156 Ų156149.1 Ų149.183%0.83479%0.787SS**  trans47.4103.9158-66.8-16.1000120.6
222F41.8Very low46.7Very low193 Ų193148.5 Ų148.585%0.84678%0.783SS**  -154.5135.4107-159.6-103.7000110.4
223D43.3Very low45.8Very low106 Ų106147.1 Ų147.157%0.56778%0.781SS**  trans-89.9115.4176.3-169.7-30000107.4R225D223-R225 IonicContact OD1-NE 2.95Å; D223-R225 PolarHBondContact OD1-NE 3.28Å; D223-R225 IonicContact OD1-NH2 3.22Å; D223-R225 IonicContact OD2-NH2 3.92Å
224D49.2Very low45.3Very low146 Ų146149.4 Ų149.478%0.78179%0.785SS**  trans-153.5153.7143.6-134.7-42.6000112
225R43.1Very low45.1Very low166 Ų166147 Ų14763%0.62678%0.776SS**  trans-115.9153.3-150.2-54.4175.5-175.6170.5-0.6113.2D223D223-R225 IonicContact OD1-NE 2.95Å; D223-R225 PolarHBondContact OD1-NE 3.28Å; D223-R225 IonicContact OD1-NH2 3.22Å; D223-R225 IonicContact OD2-NH2 3.92Å
226H48.6Very low44.5Very low170 Ų170150.5 Ų150.579%0.78778%0.781SS**  trans62.199.3160.1-46-63.1000117.4
227R44.6Very low44.4Very low257 Ų257142.4 Ų142.497%0.9777%0.769SS**  -152.3149.4115.4-120.5173.8177.6-168.2-2.4113.2
228K49.3Very low43.5Very low195 Ų195141.3 Ų141.385%0.84876%0.762SS**  trans-94.8146.6-172-63.9176178.5179.90110.6
229T37.9Very low43.2Very low139 Ų139138.5 Ų138.585%0.85376%0.764SS**  trans-24.6127.1153500000114.8
230T44.7Very low42.7Very low130 Ų130142.3 Ų142.380%0.79877%0.766SS**  trans-155.6137.1130.3-153.30000111.1
231T46.5Very low42.6Very low125 Ų125143.1 Ų143.177%0.76777%0.772SS**  trans-97.3142162.6-430000106.8
232P50.1Low42.6Very low107 Ų107140 Ų14070%0.69577%0.768SS**  trans-115.3108.4156.831-19.3000110.6
233V36.4Very low42.8Very low123 Ų123137.9 Ų137.975%0.74577%0.765SS**  trans-61.2133.9142169.10000106.1V235V233-V235 HydrophobicContact CG1-CG2 4.18Å
234N40.6Very low43.1Very low155 Ų155142 Ų14283%0.82978%0.781SS**  trans-128.2128.1164-147.230.3000111.1
235V39.6Very low43Very low108 Ų108140.8 Ų140.866%0.65578%0.784SS**  trans-105.5173.2173.9177.50000106.7V233V233-V235 HydrophobicContact CG1-CG2 4.18Å
236I38.6Very low43.7Very low166 Ų166140.9 Ų140.985%0.85179%0.789SS**  trans79.2129.8174.1-42.4168.2000112.6
237G39.1Very low43.7Very low62 Ų62143 Ų14364%0.63979%0.792SS**  cis156.6163.3-5.800000112.4
238S38.7Very low44.5Very low104 Ų104137.1 Ų137.173%0.72778%0.775SS**  trans60.8122.2167.5-153.10000118.8Y240S238-Y240 PolarHBondContact OG-OH 3.45Å
239G40Very low44.7Very low72 Ų72134.7 Ų134.774%0.74277%0.771SS**  trans171.475.6177.600000113.9
240Y38.2Very low45.8Very low203 Ų203138 Ų13880%0.79677%0.77SS**  trans-71120.1175.610.3-103.7000112.1S238S238-Y240 PolarHBondContact OG-OH 3.45Å
241S42.2Very low46.3Very low122 Ų122139.6 Ų139.685%0.85377%0.773SS**  -174.6165.1115.1-157.30000110.8
242A41.8Very low47Very low90 Ų90138.9 Ų138.974%0.74477%0.774SS**  trans-95.3129.8-169.400000113.9
243N46.4Very low47.4Very low150 Ų150140.4 Ų140.480%0.80278%0.776SS**  trans-167.5134140.942-3.8000113.3
244E48.9Very low48.4Very low192 Ų192141.2 Ų141.290%0.89778%0.776SS**  trans20.4134.2155.6-68168.7109.500122.1
245S47.9Very low49.3Very low121 Ų121139.3 Ų139.385%0.84678%0.775SS**  trans-65.5144.9170.155.70000113
246K58.1Low50.1Low167 Ų167141.3 Ų141.373%0.72678%0.782SS**  -172139.6117-162.6172.3161.2-125.10110.9E248K246-E248 IonicContact NZ-OE1 3.61Å; K246-E248 PolarHBondContact NZ-OE1 3.47Å
247Y49.2Very low51Low214 Ų214144.3 Ų144.384%0.83978%0.784SS**  trans-65.4129.6167.2-81.4-106.8000110.5
248E59.8Low51.8Low135 Ų135149 Ų14963%0.63179%0.794SS**  trans-135.3117.3151.3-65-165.4173.200108.3K246 Y250K246-E248 IonicContact NZ-OE1 3.61Å; K246-E248 PolarHBondContact NZ-OE1 3.47Å; E248-Y250 HydrophobicContact CB-CE2 4.47Å
249D54.3Low52.7Low143 Ų143147.7 Ų147.777%0.76580%0.798SS**  trans-67.3130.2172.4-67.5-60.8000109.8
250Y60.7Low53.3Low208 Ų208149.4 Ų149.482%0.81681%0.805SS**  trans-142.7102156-79.4-67.9000111E248 S252E248-Y250 HydrophobicContact CB-CE2 4.47Å; Y250-S252 PolarHBondContact O-N 3.48Å
251D56.2Low54.4Low164 Ų164147.7 Ų147.788%0.87781%0.81SS**  trans-54.8124.4152.5-88.6-45.1000109.3
252S61Low54.8Low111 Ų111145 Ų14578%0.77680%0.802SS**  trans-176.5112.5133.3-1060000108Y250Y250-S252 PolarHBondContact O-N 3.48Å
253D56.8Low55.1Low139 Ų139144.6 Ų144.674%0.74381%0.805SS**  94134.768.9-158.620.1000110.8
254D57.9Low55.1Low139 Ų139141.6 Ų141.674%0.74381%0.81SS**  trans21.5122.1175.6-73.1-22.3000120.6
255S60.2Low55Low115 Ų115136.1 Ų136.180%0.80481%0.805SS**  178141.190.239.10000115
256D55.5Low55.1Low150 Ų150142.2 Ų142.280%0.80281%0.81SS**  trans-34.5136.3168.8-48.5-55.6000116.9
257Y58.7Low54.9Low229 Ų229140.7 Ų140.790%0.89881%0.814SS**  -155.1127.3126.2-141.2-105.6000114.3
258D56.4Low55.3Low160 Ų160136.6 Ų136.686%0.85681%0.814SS**  trans-69.1147.5171.8-80.5-61000112.6
259G56.9Low54.6Low77 Ų77133.7 Ų133.779%0.79482%0.82SS**  trans-166.380.7176.400000112.8
260A53.3Low55Low109 Ų109134.3 Ų134.390%0.90182%0.818SS**  trans-71.4141-177.900000113.3
261D61.1Low54.6Low167 Ų167131.9 Ų131.989%0.89382%0.819SS**  trans-120.6147.9156.9-177.326.8000109.2
262G50.5Low54.7Low66 Ų66133.6 Ų133.668%0.6882%0.815SS**  trans-158.1145.7179.500000112.8
263G47.9Very low54.4Low80 Ų80137.2 Ų137.283%0.82582%0.82SS**  trans109.871.715800000117
264G45.3Very low54Low88 Ų88135.4 Ų135.491%0.90782%0.818SS**  46.9115124.300000120.8
265G47.5Very low54Low76 Ų76137.1 Ų137.178%0.78483%0.827SS**  trans-147.691.2168.200000113.2
266R49.9Very low53.6Low250 Ų250140.3 Ų140.394%0.94383%0.83SS**  trans18.7135.8145.2-68.1179165.2-159.8-5.9121.6
267T54.2Low53.6Low134 Ų134142 Ų14282%0.82283%0.833SS**  trans-76.2162.4158.552.70000112.8
268P56.5Low53.3Low129 Ų129139.8 Ų139.884%0.83883%0.83SS**  -132.2167.6113.8200000112.5
269G46.9Very low53.3Low73 Ų73141.5 Ų141.575%0.75383%0.833SS**  trans-102.4174.7-177.600000114.4
270E61.1Low53.1Low157 Ų157147.4 Ų147.473%0.73484%0.84SS**  trans-138.8136.4169.7-66.4-175161.800109Y272E270-Y272 HydrophobicContact CB-CE2 4.09Å; E270-Y272 PolarHBondContact OE2-OH 3.43Å
271D52.2Low53.5Low156 Ų156151.4 Ų151.483%0.83484%0.84SS**  trans-91.6146.6179.9-54.2-71.4000111
272Y59.7Low53.3Low200 Ų200152.5 Ų152.578%0.78484%0.84SS**  trans-140.2121.6167.2-66.2-77.8000110.4E270E270-Y272 HydrophobicContact CB-CE2 4.09Å; E270-Y272 PolarHBondContact OE2-OH 3.43Å
273E53.3Low53.6Low187 Ų187158.6 Ų158.687%0.87485%0.851SS**  trans-93.5154.3-179.7-84.4178.2127.900112.8
274S49Very low54.2Low102 Ų102164.3 Ų164.371%0.71386%0.856SS**  trans49127.6146.1-55.50000122.4
275D58.3Low55Low175 Ų175169.1 Ų169.194%0.93686%0.855SS**  -148.8142.4129.2-98-33.2000109.4
276E51.6Low55.5Low182 Ų182174.2 Ų174.285%0.8586%0.858SS**  trans-110.9141.3177.5-62.7179.1157.100109.9
277E55.4Low56Low186 Ų186171.3 Ų171.387%0.86986%0.855SS**  trans-173.9107.5154.9-105.4160.6-152.400106.9
278Q53Low56.6Low182 Ų182169 Ų16985%0.8585%0.85SS**  62.1107.192.1-85-177.967.500115.4
279E56Low57Low196 Ų196169.7 Ų169.792%0.91685%0.846SS**  trans-165100.7146.9-110165.8-151.900108.2
280E52.4Low57.9Low200 Ų200173.9 Ų173.994%0.93585%0.852SS**  trans-102.8125.5163.8-70.1-179.1156.200106.7
281E62.5Low58Low194 Ų194171.6 Ų171.691%0.90785%0.845SS**  trans-127.4145.7166.6-78.2-164.3153.700110.6
282E57.1Low58.4Low189 Ų189171.4 Ų171.488%0.88384%0.839SS**  trans-91156.8-163.5-54.9165.614300111.8
283E57Low58.9Low194 Ų194169.4 Ų169.491%0.90784%0.842SS**  trans-176.988.2141.7-104.6171.7-158.300109.8
284E59.8Low59.6Low200 Ų200169.3 Ų169.394%0.93583%0.834SS**  trans-100.6112157.6-75.4-170.5149.400107.7
285E61Low60.5Low190 Ų190171.3 Ų171.389%0.88884%0.837SS**  trans-91.7138.4168.1-77-162.7145.300111
286E59.2Low60.9Low183 Ų183175.7 Ų175.786%0.85585%0.852SS**  trans-76.1127.5-168.7-58.3-179.1144.400113.9
287E60.1Low61.3Low188 Ų188175.4 Ų175.488%0.87985%0.852SS**  trans-96.281.8157.8-80.3-85.8-167.800108.7D289E287-D289 VanDerWaalsContact C-N 3.35Å; E287-D289 PolarHBondContact O-N 2.95Å; E287-D289 VanDerWaalsContact O-N 3.17Å
288A65.6Low61.6Low86 Ų86174.8 Ų174.871%0.71185%0.851SS**  trans-84.376.1173.800000111D290A288-D290 VanDerWaalsContact C-N 3.34Å; A288-D290 PolarHBondContact O-N 2.93Å; A288-D290 VanDerWaalsContact O-N 3.1Å
289D66.1Low62.1Low143 Ų143174.4 Ų174.477%0.76585%0.851SS**  trans-72.187.8162.2-175.223.8000108.6E287E287-D289 VanDerWaalsContact C-N 3.35Å; E287-D289 PolarHBondContact O-N 2.95Å; E287-D289 VanDerWaalsContact O-N 3.17Å
290D65.8Low62.5Low162 Ų162173.2 Ų173.287%0.86685%0.848SS**  trans-119.2114.9167.2-139.61.6000110.1A288A288-D290 VanDerWaalsContact C-N 3.34Å; A288-D290 PolarHBondContact O-N 2.93Å; A288-D290 VanDerWaalsContact O-N 3.1Å
291N62.5Low63.1Low109 Ų109171.5 Ų171.558%0.58384%0.842SS**  trans-109.8151.5-163.9-178.939.5000108.4
292E61.8Low63.2Low152 Ų152170 Ų17071%0.7184%0.838SS**  trans63.3102.9169.7-60.9167.3-140.400117.8
293D69.9Low63.6Low158 Ų158168.6 Ų168.685%0.84584%0.835SS**  -149.7153.7122.4-142.5-7.1000113.9
294Y67.6Low64.1Low184 Ų184166.7 Ų166.772%0.72283%0.829SS**  trans-72.3156.3-156.9-83.1-118.1000118.6
295D68.6Low64.5Low144 Ų144163.9 Ų163.977%0.7782%0.82SS**  trans20.6122.1136.7-58.6-31.6000120.5
296E65.2Low64.8Low268 Ų268161.5 Ų161.5100%1.25281%0.814SS**  -164.80102.1-166162.4-157.800112.6

Retrieved 296 of 296 residues in 402.5 ms (Link to these results)