A0A5K4FBQ8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FBQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 311 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
1M40.2Very low48.9Very low225 Ų225154.3 Ų154.3100%1.10879%0.79SS**  092.70-177.9169.653.200107.3V3M1-V3 PolarHBondContact O-N 3.23Å
2V39.8Very low49.5Very low136 Ų136148.2 Ų148.282%0.82477%0.768SS**  trans-85.9108.1175.9-179.80000105.6E4V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 2.95Å
3V45.4Very low50.2Low98 Ų98143.8 Ų143.859%0.59475%0.752SS**  trans-72.794171.9-179.40000105.6M1 F5M1-V3 PolarHBondContact O-N 3.23Å; V3-F5 VanDerWaalsContact C-N 3.27Å; V3-F5 WeakPolarHBondContact O-CD2 3.37Å; V3-F5 PolarHBondContact O-N 3.07Å
4E44.9Very low51.7Low166 Ų166139.8 Ų139.878%0.77674%0.738SS**  trans-6299.3165.1-78-175.9161.700106.5V2 N6V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 2.95Å; E4-N6 PolarHBondContact O-N 3.17Å
5F51Low52.9Low166 Ų166138.5 Ų138.573%0.72873%0.731SS**  trans-56110.4166.5-78.4-91.2000105.8V3 K7V3-F5 VanDerWaalsContact C-N 3.27Å; V3-F5 WeakPolarHBondContact O-CD2 3.37Å; V3-F5 PolarHBondContact O-N 3.07Å; F5-K7 HydrophobicContact CB-CG 4.12Å; F5-K7 PolarHBondContact O-N 3.26Å
6N50.3Low54.4Low158 Ų158135.9 Ų135.985%0.84573%0.728SS**  trans-56.973.4164.9-88.1-45.2000108.5E4 K8E4-N6 PolarHBondContact O-N 3.17Å; N6-K8 PolarHBondContact O-N 3.47Å
7K52.8Low55.6Low182 Ų182130.6 Ų130.679%0.79171%0.707SS**  trans-75.880.7171.5-72.7-174.5-179.5-179.60105.1F5F5-K7 HydrophobicContact CB-CG 4.12Å; F5-K7 PolarHBondContact O-N 3.26Å
8K53.9Low56.8Low178 Ų178126.7 Ų126.777%0.77469%0.688SS**  trans-50.3136.2161.9-70.4-176.4178.8-178.60106.9N6 I10N6-K8 PolarHBondContact O-N 3.47Å; K8-I10 PolarHBondContact O-N 3.28Å; K8-I10 VanDerWaalsContact O-N 3.11Å
9P48.8Very low58.1Low115 Ų115126.3 Ų126.375%0.74768%0.681SS**  trans-55.7123.3-179.922.4-31.7000108V11P9-V11 VanDerWaalsContact C-N 3.31Å; P9-V11 PolarHBondContact O-N 3.12Å
10I57.1Low59.2Low164 Ų164122.7 Ų122.784%0.84167%0.669SS**  trans-67.4100.9171-63.8166.1000104.2K8 P12K8-I10 PolarHBondContact O-N 3.28Å; K8-I10 VanDerWaalsContact O-N 3.11Å; I10-P12 WeakPolarHBondContact O-CD 3.33Å
11V53.5Low60.4Low109 Ų109121.6 Ų121.666%0.66166%0.662SS**  trans-61.3120.4176.1179.60000106.6P9 V13P9-V11 VanDerWaalsContact C-N 3.31Å; P9-V11 PolarHBondContact O-N 3.12Å; V11-V13 PolarHBondContact O-N 3.04Å
12P56.3Low62.6Low81 Ų81115.1 Ų115.153%0.52663%0.632SS.*  trans-63.4113.6177.123.2-28.9000107.9I10 E59I10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-E59 WeakPolarHBondContact CG-OE1 3.22Å
13V59.1Low64.6Low92 Ų92114 Ų11456%0.55862%0.617SS**  trans-81.8120.6172-178.40000106.3V11 L15 A17 V18V11-V13 PolarHBondContact O-N 3.04Å; V13-L15 PolarHBondContact O-N 3.37Å; V13-A17 HydrophobicContact CG1-CB 3.74Å; V13-V18 HydrophobicContact CB-CG2 4.16Å; V13-V18 HydrophobicContact CG1-CG2 3.72Å
14P70.9Confident66.4Low87 Ų87114 Ų11457%0.56561%0.613SS**  trans-57.5139.5178.420.4-29.5000109.5S16 A17 V18P14-S16 PolarHBondContact O-N 3.23Å; P14-A17 HydrophobicContact CG-CB 3.93Å; P14-A17 WeakPolarHBondContact O-CA 3.34Å; P14-A17 WeakPolarHBondContact O-CB 3.25Å; P14-A17 PolarHBondContact O-N 3.39Å; P14-V18 PolarHBondContact O-N 3.2Å
15L69Low68.3Low121 Ų121110.5 Ų110.563%0.63460%0.599SS**Hα-helixtrans-51.8-31.9179.4-78.6158.1000112V13 A17 V18 Q19 F52V13-L15 PolarHBondContact O-N 3.37Å; L15-A17 PolarHBondContact O-N 3.34Å; L15-V18 PolarHBondContact O-N 3.39Å; L15-Q19 WeakPolarHBondContact O-CB 2.94Å; L15-Q19 PolarHBondContact O-N 3.12Å; L15-F52 HydrophobicContact CD2-CE2 4.46Å; L15-F52 HydrophobicContact CD2-CZ 4.21Å
16S77.3Confident69.6Low97 Ų97107.7 Ų107.768%0.67859%0.591SS**Hα-helixtrans-62.7-37.3174-176.50000113.4P14 A20P14-S16 PolarHBondContact O-N 3.23Å; S16-A20 VanDerWaalsContact O-CB 3.29Å; S16-A20 WeakPolarHBondContact O-CB 3.47Å; S16-A20 PolarHBondContact O-N 3.35Å
17A74.3Confident71Confident45 Ų45106.7 Ų106.737%0.37258%0.576SS.*Hα-helixtrans-74-36.7176.800000111.3V13 P14 L15 A20 L21V13-A17 HydrophobicContact CG1-CB 3.74Å; P14-A17 HydrophobicContact CG-CB 3.93Å; P14-A17 WeakPolarHBondContact O-CA 3.34Å; P14-A17 WeakPolarHBondContact O-CB 3.25Å; P14-A17 PolarHBondContact O-N 3.39Å; L15-A17 PolarHBondContact O-N 3.34Å; A17-A20 PolarHBondContact O-N 3.45Å; A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 PolarHBondContact O-N 3.05Å
18V77.6Confident72.2Confident60 Ų60101.3 Ų101.336%0.36456%0.561SS.*Hα-helixtrans-62.2-45.2171.8-178.50000110.5V13 P14 L15 L21 I22V13-V18 HydrophobicContact CB-CG2 4.16Å; V13-V18 HydrophobicContact CG1-CG2 3.72Å; P14-V18 PolarHBondContact O-N 3.2Å; L15-V18 PolarHBondContact O-N 3.39Å; V18-L21 WeakPolarHBondContact O-CB 3.49Å; V18-L21 PolarHBondContact O-N 3.25Å; V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 VanDerWaalsContact O-CG1 3.29Å; V18-I22 WeakPolarHBondContact O-CG1 3.46Å; V18-I22 PolarHBondContact O-N 2.9Å
19Q82.5Confident73.2Confident119 Ų11996.2 Ų96.256%0.55655%0.545SS*.Hα-helixtrans-65.9-42.6178-174.5155.3-27.700112.1L15 L21 I22 E23L15-Q19 WeakPolarHBondContact O-CB 2.94Å; L15-Q19 PolarHBondContact O-N 3.12Å; Q19-L21 VanDerWaalsContact C-N 3.3Å; Q19-L21 PolarHBondContact O-N 3.46Å; Q19-I22 PolarHBondContact O-N 3.44Å; Q19-E23 PolarHBondContact NE2-OE1 2.74Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.44Å
20A79.2Confident74.1Confident54 Ų5498.3 Ų98.345%0.44654%0.542SS..Hα-helixtrans-60.6-38.8173.300000112.1S16 A17 E23 L24S16-A20 VanDerWaalsContact O-CB 3.29Å; S16-A20 WeakPolarHBondContact O-CB 3.47Å; S16-A20 PolarHBondContact O-N 3.35Å; A17-A20 PolarHBondContact O-N 3.45Å; A20-E23 PolarHBondContact O-N 3.45Å; A20-L24 VanDerWaalsContact O-CB 3.29Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 PolarHBondContact O-N 3.17Å
21L85Confident74.3Confident100 Ų10095.1 Ų95.152%0.52453%0.525SS..Hα-helixtrans-65.9-42175-178.666.2000111.6A17 V18 Q19 L24 I25A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 PolarHBondContact O-N 3.05Å; V18-L21 WeakPolarHBondContact O-CB 3.49Å; V18-L21 PolarHBondContact O-N 3.25Å; Q19-L21 VanDerWaalsContact C-N 3.3Å; Q19-L21 PolarHBondContact O-N 3.46Å; L21-L24 PolarHBondContact O-N 3.2Å; L21-I25 HydrophobicContact CD1-CD1 4.32Å; L21-I25 HydrophobicContact CG-CD1 4.02Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.49Å
22I85Confident74.2Confident90 Ų9092.3 Ų92.346%0.46251%0.51SS..Hα-helixtrans-62.6-46.7175.7-69.8165.4000110.4V18 Q19 L24 I25 L26V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 VanDerWaalsContact O-CG1 3.29Å; V18-I22 WeakPolarHBondContact O-CG1 3.46Å; V18-I22 PolarHBondContact O-N 2.9Å; Q19-I22 PolarHBondContact O-N 3.44Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 2.76Å; I22-I25 PolarHBondContact O-N 2.84Å; I22-L26 HydrophobicContact CG2-CD1 3.9Å; I22-L26 HydrophobicContact CG2-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 3.36Å
23E82.1Confident74Confident112 Ų11296.5 Ų96.552%0.52352%0.52SS..Hα-helixtrans-61.3-40.6176.8-74.3175.9-165.100111.5Q19 A20 L26 Y27Q19-E23 PolarHBondContact NE2-OE1 2.74Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.44Å; A20-E23 PolarHBondContact O-N 3.45Å; E23-L26 PolarHBondContact O-N 2.88Å; E23-Y27 VanDerWaalsContact O-CB 3.28Å; E23-Y27 WeakPolarHBondContact O-CB 3.38Å; E23-Y27 PolarHBondContact O-N 3.14Å
24L84.6Confident73.5Confident98 Ų9897.9 Ų97.951%0.51353%0.529SS..Hα-helixtrans-63.8-44.9174.9-177.164.7000111.9A20 L21 I22 L26 Y27 C28A20-L24 VanDerWaalsContact O-CB 3.29Å; A20-L24 WeakPolarHBondContact O-CB 3.48Å; A20-L24 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 3.2Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 2.76Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.91Å; L24-Y27 PolarHBondContact O-N 3.46Å; L24-C28 WeakPolarHBondContact O-CB 3.24Å; L24-C28 PolarHBondContact O-N 3.46Å; L24-C28 PolarHBondContact O-SG 3.4Å
25I83.5Confident72.1Confident93 Ų93100.8 Ų100.848%0.47754%0.539SS..Hα-helixtrans-63.3-42176.5-69.3166.2000110.5L21 I22 Y27 C28 T29L21-I25 HydrophobicContact CD1-CD1 4.32Å; L21-I25 HydrophobicContact CG-CD1 4.02Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.35Å; L21-I25 PolarHBondContact O-N 3.49Å; I22-I25 PolarHBondContact O-N 2.84Å; I25-Y27 VanDerWaalsContact C-N 3.34Å; I25-C28 PolarHBondContact O-N 3.43Å; I25-T29 HydrophobicContact CG2-CG2 4.42Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.34Å; I25-T29 PolarHBondContact O-N 2.9Å; I25-T29 PolarHBondContact O-OG1 3.01Å
26L78.7Confident70.8Confident106 Ų106101.3 Ų101.356%0.55554%0.536SS*.Hα-helixtrans-63.9-40.9175.9-75.2170.8000111.5I22 E23 L24 T29 K30I22-L26 HydrophobicContact CG2-CD1 3.9Å; I22-L26 HydrophobicContact CG2-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.5Å; I22-L26 PolarHBondContact O-N 3.36Å; E23-L26 PolarHBondContact O-N 2.88Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.91Å; L26-T29 WeakPolarHBondContact CA-OG1 3.49Å; L26-T29 PolarHBondContact O-N 2.84Å; L26-T29 PolarHBondContact O-OG1 3.15Å; L26-K30 VanDerWaalsContact O-CB 3.26Å; L26-K30 WeakPolarHBondContact O-CB 3.45Å; L26-K30 PolarHBondContact O-N 2.96Å
27Y80.1Confident69Low138 Ų138106.1 Ų106.154%0.54155%0.545SS..Hα-helixtrans-63.8-49.4175.3-177-100.3000111.4E23 L24 I25 T29 K30 M31E23-Y27 VanDerWaalsContact O-CB 3.28Å; E23-Y27 WeakPolarHBondContact O-CB 3.38Å; E23-Y27 PolarHBondContact O-N 3.14Å; L24-Y27 PolarHBondContact O-N 3.46Å; I25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-T29 VanDerWaalsContact C-N 3.33Å; Y27-T29 PolarHBondContact O-N 2.86Å; Y27-K30 PolarHBondContact O-N 3.24Å; Y27-M31 HydrophobicContact CD1-CG 4.33Å; Y27-M31 HydrophobicContact CE1-CE 4.29Å; Y27-M31 HydrophobicContact CE1-CG 4.01Å; Y27-M31 HydrophobicContact CE2-CE 3.59Å; Y27-M31 HydrophobicContact CE2-CG 4.39Å; Y27-M31 VanDerWaalsContact CZ-CE 3.42Å; Y27-M31 WeakPolarHBondContact O-CG 3.4Å; Y27-M31 PolarHBondContact O-N 2.93Å; Y27-M31 WeakPolarHBondContact OH-CE 3.5Å
28C77Confident67.2Low69 Ų69111 Ų11147%0.46657%0.565SS.*Hα-helixtrans-61.7-38.2177.4-70.20000112.3L24 I25 S32L24-C28 WeakPolarHBondContact O-CB 3.24Å; L24-C28 PolarHBondContact O-N 3.46Å; L24-C28 PolarHBondContact O-SG 3.4Å; I25-C28 PolarHBondContact O-N 3.43Å; C28-S32 WeakPolarHBondContact O-CB 3.47Å; C28-S32 PolarHBondContact O-N 3.4Å
29T74.5Confident65.3Low70 Ų70114.2 Ų114.243%0.42958%0.584SS.*Hα-helixtrans-73.1-34.8176.450.30000112.4I25 L26 Y27 S32 K33I25-T29 HydrophobicContact CG2-CG2 4.42Å; I25-T29 WeakPolarHBondContact O-CB 3.47Å; I25-T29 WeakPolarHBondContact O-CG2 3.34Å; I25-T29 PolarHBondContact O-N 2.9Å; I25-T29 PolarHBondContact O-OG1 3.01Å; L26-T29 WeakPolarHBondContact CA-OG1 3.49Å; L26-T29 PolarHBondContact O-N 2.84Å; L26-T29 PolarHBondContact O-OG1 3.15Å; Y27-T29 VanDerWaalsContact C-N 3.33Å; Y27-T29 PolarHBondContact O-N 2.86Å; T29-S32 PolarHBondContact O-N 2.98Å; T29-K33 WeakPolarHBondContact O-CG 3.36Å; T29-K33 PolarHBondContact O-N 3.4Å
30K69.5Low63Low159 Ų159117.9 Ų117.969%0.69160%0.599SS**Hα-helixtrans-65.1-43.2172.6-165.7176.4-177.7-177.90111.1L26 Y27 K33L26-K30 VanDerWaalsContact O-CB 3.26Å; L26-K30 WeakPolarHBondContact O-CB 3.45Å; L26-K30 PolarHBondContact O-N 2.96Å; Y27-K30 PolarHBondContact O-N 3.24Å; K30-K33 PolarHBondContact O-N 2.93Å
31M59.7Low60.7Low97 Ų97123 Ų12348%0.47862%0.618SS.*Hα-helixtrans-68.6-38.2174.3-68.6-56.1-169.700112.3Y27 K33 V34Y27-M31 HydrophobicContact CD1-CG 4.33Å; Y27-M31 HydrophobicContact CE1-CE 4.29Å; Y27-M31 HydrophobicContact CE1-CG 4.01Å; Y27-M31 HydrophobicContact CE2-CE 3.59Å; Y27-M31 HydrophobicContact CE2-CG 4.39Å; Y27-M31 VanDerWaalsContact CZ-CE 3.42Å; Y27-M31 WeakPolarHBondContact O-CG 3.4Å; Y27-M31 PolarHBondContact O-N 2.93Å; Y27-M31 WeakPolarHBondContact OH-CE 3.5Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 2.87Å; M31-V34 WeakPolarHBondContact O-CB 3.39Å; M31-V34 PolarHBondContact O-N 3.49Å
32S52.6Low58.4Low51 Ų51127.1 Ų127.136%0.35764%0.635SS.*Hα-helixtrans-64.7-29.1176.2-177.70000112.7C28 T29 V34 N35 K36C28-S32 WeakPolarHBondContact O-CB 3.47Å; C28-S32 PolarHBondContact O-N 3.4Å; T29-S32 PolarHBondContact O-N 2.98Å; S32-V34 PolarHBondContact O-N 3.48Å; S32-N35 PolarHBondContact O-N 3.29Å; S32-K36 PolarHBondContact O-N 2.93Å
33K50.7Low55.8Low168 Ų168134.1 Ų134.173%0.7366%0.655SS**G310 helixtrans-65.7-21.4173.6-79-179.5-179.6-1800113.3T29 K30 M31 N35T29-K33 WeakPolarHBondContact O-CG 3.36Å; T29-K33 PolarHBondContact O-N 3.4Å; K30-K33 PolarHBondContact O-N 2.93Å; M31-K33 VanDerWaalsContact C-N 3.26Å; M31-K33 PolarHBondContact O-N 2.87Å; K33-N35 PolarHBondContact O-N 3.48Å
34V50.2Low53.6Low122 Ų122134 Ų13474%0.73967%0.667SS**G310 helixtrans-72.6-19.7173.2-162.80000111M31 S32M31-V34 WeakPolarHBondContact O-CB 3.39Å; M31-V34 PolarHBondContact O-N 3.49Å; S32-V34 PolarHBondContact O-N 3.48Å
35N41.9Very low51.1Low147 Ų147134.3 Ų134.379%0.78668%0.677SS**G310 helixtrans-108.314.9-179-1414.1000115S32 K33S32-N35 PolarHBondContact O-N 3.29Å; K33-N35 PolarHBondContact O-N 3.48Å
36K41Very low48.8Very low133 Ų133136.3 Ų136.358%0.57869%0.694SS**  trans-113.254.3176.8-73.5-175.7179.6177.70112.6S32 N38S32-K36 PolarHBondContact O-N 2.93Å; K36-N38 PolarHBondContact O-N 3.32Å
37K39.7Very low46.6Very low197 Ų197137.3 Ų137.386%0.85771%0.709SS**SBendtrans-69.6106.9141.9-67.2-178.8-176.2174.40105
38N35.3Very low44.3Very low148 Ų148134 Ų13479%0.79172%0.717SS**SBendtrans90.694.2-169.6-57.7-26.3000114.3K36K36-N38 PolarHBondContact O-N 3.32Å
39V38.3Very low42.2Very low127 Ų127138.1 Ų138.177%0.7773%0.734SS**  179.5128.8117.7162.60000107
40K34.4Very low40.4Very low197 Ų197142.5 Ų142.586%0.85775%0.754SS**  trans-57.5144.6-173.5-72.3168174.8172.50113.4
41N31.3Very low38.7Very low160 Ų160143.3 Ų143.386%0.85676%0.761SS**  trans-50.9126.1176.4-67.6-43.1000113.6
42H35.6Very low37.5Very low188 Ų188146.1 Ų146.187%0.8777%0.77SS**  trans-122.8116150.5-86.7-75000109.2
43R30.8Very low36.5Very low237 Ų237150.8 Ų150.889%0.89479%0.791SS**  trans-86.5103.2178.5-168-177.5-165.8177.73.7106.9
44S36.8Very low35.7Very low109 Ų109148.5 Ų148.576%0.76279%0.791SS**  trans-110.7101.5168510000109.4
45S31.6Very low35Very low104 Ų104150.4 Ų150.473%0.72779%0.789SS**  trans-83.3117.1168.9-52.70000108.1
46T35.4Very low34.6Very low136 Ų136149.1 Ų149.183%0.83479%0.791SS**  trans-137.689.8166.7-4.30000108.2G48T46-G48 PolarHBondContact O-N 2.91Å
47S32.2Very low34.6Very low126 Ų126150.3 Ų150.388%0.88180%0.799SS**  trans-81.392.4172.253.30000109
48G33Very low34.4Very low68 Ų68148.1 Ų148.170%0.70180%0.802SS**  trans-96.8113171.500000110.5T46 L50T46-G48 PolarHBondContact O-N 2.91Å; G48-L50 PolarHBondContact O-N 3.22Å
49N31.8Very low34.9Very low156 Ų156147.9 Ų147.983%0.83480%0.797SS**  trans-75.3102.6176.4-173.6-1.3000109.6
50L36.8Very low35Very low162 Ų162147.1 Ų147.185%0.84880%0.797SS**  trans-99.9104.2-178.4-113.9150.4000109.3G48 F52G48-L50 PolarHBondContact O-N 3.22Å; L50-F52 PolarHBondContact O-N 3.07Å
51Q34.4Very low36Very low176 Ų176146.7 Ų146.782%0.82280%0.798SS**  trans-66.4121.5174.9-68.1-1753.700110.2
52F33.6Very low36.8Very low156 Ų156149.9 Ų149.968%0.68480%0.798SS**  trans-88.8106.9-178.1-158.4-97.5000109.6L15 L50 V54L15-F52 HydrophobicContact CD2-CE2 4.46Å; L15-F52 HydrophobicContact CD2-CZ 4.21Å; L50-F52 PolarHBondContact O-N 3.07Å; F52-V54 HydrophobicContact CD1-CG2 3.88Å; F52-V54 HydrophobicContact CE1-CG2 4.37Å; F52-V54 PolarHBondContact O-N 3.34Å
53L32.9Very low37.9Very low149 Ų149147.1 Ų147.178%0.7879%0.79SS**  trans-80.9103.7174.2-168.482.5000108.8K55L53-K55 PolarHBondContact O-N 2.85Å
54V33.1Very low39.4Very low120 Ų120140.9 Ų140.973%0.72777%0.774SS**  trans-75.8109177.9178.90000108.9F52F52-V54 HydrophobicContact CD1-CG2 3.88Å; F52-V54 HydrophobicContact CE1-CG2 4.37Å; F52-V54 PolarHBondContact O-N 3.34Å
55K35.5Very low40.3Very low162 Ų162137.1 Ų137.170%0.70475%0.752SS**  trans-109.7120.4163.6-81.2-174.5173.8-172.80109L53 E57L53-K55 PolarHBondContact O-N 2.85Å; K55-E57 PolarHBondContact O-N 2.86Å
56S33.3Very low41.7Very low120 Ų120135.5 Ų135.584%0.83975%0.745SS**  trans-82102.5173.851.90000109.4
57E40.3Very low43Very low159 Ų159136.5 Ų136.574%0.74374%0.738SS**  trans-118.6133.9168-79.5178.1-177.600109.1K55 E59K55-E57 PolarHBondContact O-N 2.86Å; E57-E59 PolarHBondContact O-N 2.99Å
58T36.9Very low44.4Very low150 Ų150137.5 Ų137.592%0.9273%0.733SS**  trans-74.3101.6-175.946.80000109.8
59E45Very low45.7Very low144 Ų144140.8 Ų140.867%0.67373%0.728SS**  trans-82.6116.5-176.4-68.3179.8-178.800111.6P12 E57 E61P12-E59 WeakPolarHBondContact CG-OE1 3.22Å; E57-E59 PolarHBondContact O-N 2.99Å; E59-E61 PolarHBondContact O-N 3.35Å
60S40.6Very low46.9Very low111 Ų111142.5 Ų142.578%0.77673%0.728SS**  trans-78.294.2166.269.90000108.7R62S60-R62 PolarHBondContact O-N 3.5Å
61E54.3Low48.1Very low188 Ų188143.2 Ų143.288%0.87973%0.725SS**  trans-6798.8-178.3-164.2168.6-162.300110.5E59E59-E61 PolarHBondContact O-N 3.35Å
62R49.1Very low49.1Very low227 Ų227140.4 Ų140.486%0.85772%0.72SS**  trans-88.9105.6164-78.2-173.8176.4164.60.3107.6S60 D64S60-R62 PolarHBondContact O-N 3.5Å; R62-D64 PolarHBondContact O-N 2.99Å; R62-D64 VanDerWaalsContact O-N 3.08Å
63D59.4Low49.9Very low130 Ų130142.1 Ų142.170%0.69573%0.73SS**  trans-68.296.5177179.313.8000111.1G65D63-G65 PolarHBondContact O-N 2.91Å; D63-G65 WeakPolarHBondContact OD1-CA 3.37Å; D63-G65 PolarHBondContact OD1-N 3.2Å
64D61.6Low50.6Low106 Ų106145.8 Ų145.857%0.56773%0.733SS**G310 helixtrans-77-1.8172.1-89.3-46.7000112.9R62 A66 K67R62-D64 PolarHBondContact O-N 2.99Å; R62-D64 VanDerWaalsContact O-N 3.08Å; D64-A66 VanDerWaalsContact C-N 3.27Å; D64-A66 PolarHBondContact O-N 2.91Å; D64-K67 PolarHBondContact O-N 2.91Å; D64-K67 IonicContact OD1-NZ 3.98Å; D64-K67 PolarHBondContact OD1-NZ 3.3Å
65G56.3Low51.3Low30 Ų30142.6 Ų142.631%0.30972%0.724SS.*G310 helixtrans-64.4-28.3-178.700000113.8D63 K67 L68D63-G65 PolarHBondContact O-N 2.91Å; D63-G65 WeakPolarHBondContact OD1-CA 3.37Å; D63-G65 PolarHBondContact OD1-N 3.2Å; G65-K67 PolarHBondContact O-N 2.86Å; G65-L68 WeakPolarHBondContact O-CB 3.45Å; G65-L68 PolarHBondContact O-N 3.47Å; G65-L68 VanDerWaalsContact O-N 3.17Å
66A61Low52Low70 Ų70143 Ų14358%0.57973%0.734SS**G310 helixtrans-63.1-24.4178.400000113.6D64 L68 F69D64-A66 VanDerWaalsContact C-N 3.27Å; D64-A66 PolarHBondContact O-N 2.91Å; A66-L68 VanDerWaalsContact C-N 3.28Å; A66-L68 PolarHBondContact O-N 3.48Å; A66-F69 PolarHBondContact O-N 3.42Å
67K61.1Low52.7Low156 Ų156148.4 Ų148.468%0.67874%0.736SS**G310 helixtrans-70.9-21.4177.8-76.2175.1-173146.80113.5D64 G65 F69D64-K67 PolarHBondContact O-N 2.91Å; D64-K67 IonicContact OD1-NZ 3.98Å; D64-K67 PolarHBondContact OD1-NZ 3.3Å; G65-K67 PolarHBondContact O-N 2.86Å; K67-F69 PolarHBondContact O-N 2.87Å
68L63.3Low53.1Low148 Ų148151.8 Ų151.878%0.77574%0.742SS**G310 helixtrans-70.5-25177.9-65.5174.4000111.9G65 A66G65-L68 WeakPolarHBondContact O-CB 3.45Å; G65-L68 PolarHBondContact O-N 3.47Å; G65-L68 VanDerWaalsContact O-N 3.17Å; A66-L68 VanDerWaalsContact C-N 3.28Å; A66-L68 PolarHBondContact O-N 3.48Å
69F60.3Low53.8Low137 Ų137150.2 Ų150.260%0.60173%0.734SS**  trans-112.888.1177.2-58-81.2000109A66 K67 F71A66-F69 PolarHBondContact O-N 3.42Å; K67-F69 PolarHBondContact O-N 2.87Å; F69-F71 HydrophobicContact CB-CD2 3.87Å; F69-F71 HydrophobicContact CB-CE2 3.46Å; F69-F71 VanDerWaalsContact CB-CE2 3.46Å; F69-F71 HydrophobicContact CB-CZ 3.98Å; F69-F71 HydrophobicContact CG-CE2 4.28Å; F69-F71 HydrophobicContact CG-CZ 4.43Å; F69-F71 WeakPolarHBondContact O-CD2 3.47Å; F69-F71 PolarHBondContact O-N 2.91Å
70K56.9Low53.9Low192 Ų192148.4 Ų148.484%0.83574%0.738SS**  trans-68.985.5157.2-69.1-164.6-179.3-174.70107T72K70-T72 PolarHBondContact O-N 3.24Å
71F60.4Low54.4Low177 Ų177151.5 Ų151.578%0.77675%0.745SS**  trans-59.197.2158.4-66.6-79.4000105F69 E73F69-F71 HydrophobicContact CB-CD2 3.87Å; F69-F71 HydrophobicContact CB-CE2 3.46Å; F69-F71 VanDerWaalsContact CB-CE2 3.46Å; F69-F71 HydrophobicContact CB-CZ 3.98Å; F69-F71 HydrophobicContact CG-CE2 4.28Å; F69-F71 HydrophobicContact CG-CZ 4.43Å; F69-F71 WeakPolarHBondContact O-CD2 3.47Å; F69-F71 PolarHBondContact O-N 2.91Å; F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 3.15Å
72T55.5Low53.6Low117 Ų117144.7 Ų144.772%0.71873%0.725SS**  trans-57.6111.7161.735.60000103.9K70 R74K70-T72 PolarHBondContact O-N 3.24Å; T72-R74 PolarHBondContact O-N 3.41Å
73E50.8Low53.5Low192 Ų192139.8 Ų139.890%0.89772%0.723SS**  trans-63.575.2174.2-158.9175.5-155.200106F71 G75F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 3.15Å; E73-G75 PolarHBondContact O-N 3.13Å
74R47.4Very low52.8Low226 Ų226139.8 Ų139.885%0.85373%0.727SS**  trans-66.294.7165.7-96.8-174.4174.3149-1.2103.2T72 N76T72-R74 PolarHBondContact O-N 3.41Å; R74-N76 PolarHBondContact O-N 2.88Å
75G48.1Very low51.8Low52 Ų52140.2 Ų140.254%0.53673%0.734SS.*  trans-44.3141.9174.800000109E73 R77E73-G75 PolarHBondContact O-N 3.13Å; G75-R77 PolarHBondContact O-N 3.39Å
76N51Low51.1Low170 Ų170142.2 Ų142.291%0.90974%0.743SS**SBendtrans-50.944.3-170.5-65.8-28.6000116.6R74 R78R74-N76 PolarHBondContact O-N 2.88Å; N76-R78 PolarHBondContact O-N 3.48Å
77R48.2Very low50.3Low235 Ų235148 Ų14889%0.88776%0.755SS**  trans-76.688.1163.4-66.2-168.3179.4-179.31.2104.6G75 P79G75-R77 PolarHBondContact O-N 3.39Å; R77-P79 VanDerWaalsContact O-N 3.12Å
78R48Very low49.5Very low230 Ų230145.8 Ų145.887%0.86876%0.759SS**  trans-35.3121.2152.4-152.4178.5-164.1-177.12.7105.5N76 S80N76-R78 PolarHBondContact O-N 3.48Å; R78-S80 VanDerWaalsContact C-N 3.33Å; R78-S80 PolarHBondContact O-N 3.3Å
79P52.6Low48.5Very low116 Ų116146.7 Ų146.775%0.75376%0.76SS**  trans-52.6109.7174.3-20.730.2000105.1R77 L81R77-P79 VanDerWaalsContact O-N 3.12Å; P79-L81 VanDerWaalsContact C-N 3.32Å; P79-L81 PolarHBondContact O-N 2.99Å
80S46.8Very low47.6Very low107 Ų107148.5 Ų148.575%0.74878%0.775SS**  trans-59.7113.5166.454.10000102.5R78 G82R78-S80 VanDerWaalsContact C-N 3.33Å; R78-S80 PolarHBondContact O-N 3.3Å; S80-G82 PolarHBondContact O-N 2.91Å
81L49.7Very low46.8Very low176 Ų176143.8 Ų143.892%0.92177%0.766SS**  trans-52.892.6161.4-78.8145.7000104.2P79P79-L81 VanDerWaalsContact C-N 3.32Å; P79-L81 PolarHBondContact O-N 2.99Å
82G38.6Very low46Very low45 Ų45140.8 Ų140.846%0.46477%0.767SS.*  trans-55.7154173.200000107.3S80 T84S80-G82 PolarHBondContact O-N 2.91Å; G82-T84 PolarHBondContact O-N 3.3Å
83P47.5Very low45.1Very low124 Ų124143.8 Ų143.881%0.80577%0.77SS**SBendtrans-52.1123.1-175.1-7.416000108.2V85P83-V85 PolarHBondContact O-N 3.35Å; P83-V85 VanDerWaalsContact O-N 3.09Å
84T42.9Very low44.6Very low129 Ų129144.5 Ų144.579%0.79177%0.771SS**  trans-10103.7172.449.60000112.2G82 S86G82-T84 PolarHBondContact O-N 3.3Å; T84-S86 VanDerWaalsContact C-N 3.28Å; T84-S86 PolarHBondContact O-N 2.9Å
85V41.4Very low44.2Very low116 Ų116141.7 Ų141.770%0.70377%0.767SS**  trans-60.698.1170.7-176.20000106P83 F87P83-V85 PolarHBondContact O-N 3.35Å; P83-V85 VanDerWaalsContact O-N 3.09Å; V85-F87 PolarHBondContact O-N 3.24Å
86S42.2Very low43.6Very low72 Ų72146.6 Ų146.650%0.50378%0.781SS.*  trans-71.9113.4173.658.50000107T84 S88T84-S86 VanDerWaalsContact C-N 3.28Å; T84-S86 PolarHBondContact O-N 2.9Å; S86-S88 PolarHBondContact O-N 2.91Å
87F43.4Very low43.1Very low190 Ų190146 Ų14683%0.83378%0.776SS**THydrogen-bonded Turntrans-66.318178.7-74.8-84.4000114.6V85V85-F87 PolarHBondContact O-N 3.24Å
88S44Very low42.4Very low110 Ų110142.9 Ų142.977%0.76978%0.777SS**THydrogen-bonded Turntrans-102.95.9-171.6-46.10000114.3S86S86-S88 PolarHBondContact O-N 2.91Å
89Q43.2Very low42.1Very low168 Ų168138.9 Ų138.979%0.78577%0.772SS**  trans-11637.6-177-65.3-174.8-20.400113.4S91Q89-S91 PolarHBondContact O-N 3.33Å
90L40.9Very low41.4Very low174 Ų174141 Ų14191%0.91177%0.774SS**  trans-87.171.1157.8-65.9175.1000108.3
91S41Very low41Very low93 Ų93144.6 Ų144.665%0.6578%0.779SS**  trans-83.4125.6165.4178.60000107.9Q89 K93Q89-S91 PolarHBondContact O-N 3.33Å; S91-K93 PolarHBondContact O-N 3.39Å
92S42Very low40.6Very low115 Ų115140.5 Ų140.580%0.80477%0.765SS**  trans-73.638.7-170.578.20000114.9F94S92-F94 PolarHBondContact O-N 3.44Å
93K37.9Very low40.8Very low179 Ų179144.7 Ų144.778%0.77878%0.782SS**  trans-94.971.2177.6-65.4-165.7176.5-168.60110.3S91 E95S91-K93 PolarHBondContact O-N 3.39Å; K93-E95 PolarHBondContact O-N 2.93Å
94F40.7Very low40.4Very low208 Ų208144.1 Ų144.191%0.91277%0.77SS**  trans-86.384.6160.5-80.9-89.1000107.7S92S92-F94 PolarHBondContact O-N 3.44Å
95E37.5Very low40.1Very low167 Ų167142 Ų14278%0.7876%0.759SS**  trans-124.5125.6162.2-75.8178.8170.300107.1K93K93-E95 PolarHBondContact O-N 2.93Å
96D36.7Very low40.2Very low154 Ų154144.2 Ų144.282%0.82476%0.762SS**  trans73.352.6158.6-55.7-16.6000120.3
97I39.8Very low40.3Very low157 Ų157145 Ų14581%0.80577%0.767SS**  trans-112.691.3153.3-57.7-178.6000109.1L99I97-L99 HydrophobicContact CG2-CB 3.87Å; I97-L99 PolarHBondContact O-N 3.38Å
98D34.5Very low40.2Very low170 Ų170142.2 Ų142.291%0.90976%0.76SS**  trans-68.641.1177.7-140.45.3000112.6M100D98-M100 PolarHBondContact O-N 3.02Å; D98-M100 VanDerWaalsContact O-N 3.1Å
99L41Very low40Very low147 Ų147144 Ų14477%0.7776%0.756SS**  trans-88.983.1-176-153.582.1000109.7I97 E101I97-L99 HydrophobicContact CG2-CB 3.87Å; I97-L99 PolarHBondContact O-N 3.38Å; L99-E101 PolarHBondContact O-N 3.48Å
100M37.3Very low39.9Very low159 Ų159144 Ų14478%0.78376%0.756SS**  trans25.785146.9-67-107.273.800113.3D98 S102D98-M100 PolarHBondContact O-N 3.02Å; D98-M100 VanDerWaalsContact O-N 3.1Å; M100-S102 PolarHBondContact O-N 2.94Å
101E39.5Very low39.9Very low184 Ų184142.4 Ų142.486%0.8675%0.748SS**  trans14.462.4138.4-156.7170.8-17200114.2L99 V103L99-E101 PolarHBondContact O-N 3.48Å; E101-V103 PolarHBondContact O-N 3.09Å
102S40.8Very low39.8Very low90 Ų90143.8 Ų143.863%0.62976%0.758SS**  trans-67.4109.2166.3152.10000102.7M100 I104M100-S102 PolarHBondContact O-N 2.94Å; S102-I104 PolarHBondContact O-N 3.23Å
103V43.4Very low39.7Very low133 Ų133146.2 Ų146.281%0.80675%0.754SS**  trans-50.275171.2-177.30000109E101 P105E101-V103 PolarHBondContact O-N 3.09Å; V103-P105 WeakPolarHBondContact O-CD 3.26Å
104I38.1Very low39.9Very low111 Ų111146.2 Ų146.257%0.56976%0.757SS**  trans-79.6114.9163.7-64.2172.2000102.6S102 E106 L108S102-I104 PolarHBondContact O-N 3.23Å; I104-E106 PolarHBondContact O-N 3.34Å; I104-L108 HydrophobicContact CG2-CB 4.49Å; I104-L108 HydrophobicContact CG2-CD1 4.45Å
105P35.9Very low39.9Very low84 Ų84143.7 Ų143.755%0.54575%0.748SS.*  trans-52.7131.5-178.819.3-30.2000109.3V103 S107 L108V103-P105 WeakPolarHBondContact O-CD 3.26Å; P105-S107 PolarHBondContact O-N 3.37Å; P105-L108 PolarHBondContact O-N 2.89Å
106E45.1Very low40.1Very low164 Ų164145.7 Ų145.777%0.76676%0.757SS**G310 helixtrans-48.2-13-179.1-86.2170.6140.900114.6I104 L108 Q109I104-E106 PolarHBondContact O-N 3.34Å; E106-L108 PolarHBondContact O-N 2.9Å; E106-L108 VanDerWaalsContact O-N 3.07Å; E106-Q109 PolarHBondContact O-N 3.03Å; E106-Q109 VanDerWaalsContact O-N 3.11Å
107S44Very low40.6Very low87 Ų87142.2 Ų142.261%0.60875%0.749SS**G310 helixtrans-62.9-9.3174.763.50000114.9P105P105-S107 PolarHBondContact O-N 3.37Å
108L42Very low41.1Very low133 Ų133141.5 Ų141.570%0.69674%0.743SS**G310 helixtrans-107.9-0.1173.9-70.9177.4000114.2I104 P105 E106 H110I104-L108 HydrophobicContact CG2-CB 4.49Å; I104-L108 HydrophobicContact CG2-CD1 4.45Å; P105-L108 PolarHBondContact O-N 2.89Å; E106-L108 PolarHBondContact O-N 2.9Å; E106-L108 VanDerWaalsContact O-N 3.07Å; L108-H110 PolarHBondContact O-N 3.4Å
109Q38Very low42Very low146 Ų146139.8 Ų139.868%0.68273%0.734SS**  trans-83.567.4168.8-68.1-169.13.400109.5E106 N111E106-Q109 PolarHBondContact O-N 3.03Å; E106-Q109 VanDerWaalsContact O-N 3.11Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 2.99Å
110H41.7Very low42.7Very low168 Ų168139 Ų13978%0.77873%0.73SS**  trans-66.197.2163.6-85.9-80.3000107.7L108 S112L108-H110 PolarHBondContact O-N 3.4Å; H110-S112 PolarHBondContact O-N 3.26Å
111N42Very low43.9Very low142 Ų142136.6 Ų136.676%0.75972%0.721SS**  trans-49.5112.2166.5-91.2-59.4000108.6Q109 K113Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 2.99Å; N111-K113 PolarHBondContact O-N 3.12Å
112S37.7Very low45.3Very low121 Ų121132.6 Ų132.685%0.84671%0.705SS**  trans-74.156.6179.259.70000111.6H110H110-S112 PolarHBondContact O-N 3.26Å
113K40.9Very low46.9Very low166 Ų166133.6 Ų133.672%0.72270%0.7SS**  trans-122.6106.2173.2-76.6-176176.7177.90109.6N111N111-K113 PolarHBondContact O-N 3.12Å
114E41.3Very low48.7Very low179 Ų179131.5 Ų131.584%0.83668%0.684SS**  trans63.574.1140-60.9168.4172.300116
115Q41.3Very low50.8Low155 Ų155129.6 Ų129.672%0.72468%0.675SS**  trans-15078.8147.8-148150.8-20.900110.8A117Q115-A117 HydrophobicContact CG-CB 4.48Å; Q115-A117 PolarHBondContact O-N 3.4Å
116E40.9Very low53.1Low210 Ų210129.8 Ų129.898%0.98167%0.671SS**THydrogen-bonded Turntrans-70.845.9172.8-65.2-164.3157.800112.8
117A47.7Very low55Low80 Ų80126.5 Ų126.566%0.66166%0.658SS**THydrogen-bonded Turntrans-135.8-2.6-171.200000117.6Q115Q115-A117 HydrophobicContact CG-CB 4.48Å; Q115-A117 PolarHBondContact O-N 3.4Å
118E49.3Very low57.1Low143 Ų143129 Ų12967%0.66865%0.654SS**  trans-129.515-173.8-71-178.5-179.300115.3N120E118-N120 VanDerWaalsContact C-N 3.28Å; E118-N120 PolarHBondContact O-N 3.49Å
119D54.2Low59.2Low133 Ų133127 Ų12771%0.71165%0.648SS**THydrogen-bonded Turntrans-82.89.4-172-133.316.2000115.2
120N56.2Low61.7Low132 Ų132127.7 Ų127.771%0.70664%0.644SS**THydrogen-bonded Turntrans-93-25.6175.4-95.1-40.5000113.5E118 D124E118-N120 VanDerWaalsContact C-N 3.28Å; E118-N120 PolarHBondContact O-N 3.49Å; N120-D124 PolarHBondContact O-N 3.34Å
121D62.2Low64.1Low108 Ų108123.2 Ų123.258%0.57863%0.628SS**Hα-helixtrans-71.3-37.4-178.4-78.6-13.5000110.6E123 D124 D125D121-E123 PolarHBondContact O-N 3.38Å; D121-D124 PolarHBondContact O-N 3.03Å; D121-D125 WeakPolarHBondContact O-CB 3.38Å; D121-D125 PolarHBondContact O-N 2.97Å
122D69Low66.3Low99 Ų99123.7 Ų123.753%0.52962%0.624SS.*Hα-helixtrans-63.4-38.8179.8-77.9-24.5000112.8D125 L126D122-D125 PolarHBondContact O-N 3.15Å; D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 WeakPolarHBondContact O-CG 3.33Å; D122-L126 PolarHBondContact O-N 2.96Å
123E73.3Confident68.9Low111 Ų111122.3 Ų122.352%0.51960%0.604SS.*Hα-helixtrans-67.4-40.9175.9-74.4-60.8137.900111.7D121 D125 L126 L127D121-E123 PolarHBondContact O-N 3.38Å; E123-D125 VanDerWaalsContact C-N 3.35Å; E123-L126 PolarHBondContact O-N 3.35Å; E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 PolarHBondContact O-N 3.49Å
124D81.2Confident71.4Confident90 Ų90117 Ų11748%0.48159%0.591SS.*Hα-helixtrans-64.6-39.6174.6-85.7-14.6000111.5N120 D121 L127 R128N120-D124 PolarHBondContact O-N 3.34Å; D121-D124 PolarHBondContact O-N 3.03Å; D124-L127 PolarHBondContact O-N 3.24Å; D124-R128 WeakPolarHBondContact O-CB 3.44Å; D124-R128 VanDerWaalsContact O-CG 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-N 2.98Å
125D82.9Confident73.8Confident70 Ų70112.5 Ų112.537%0.37457%0.573SS.*Hα-helixtrans-62.2-46.4173.8-8354.6000111.4D121 D122 E123 L127 R128 V129D121-D125 WeakPolarHBondContact O-CB 3.38Å; D121-D125 PolarHBondContact O-N 2.97Å; D122-D125 PolarHBondContact O-N 3.15Å; E123-D125 VanDerWaalsContact C-N 3.35Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.35Å; D125-R128 PolarHBondContact O-N 3.48Å; D125-R128 IonicContact OD1-CZ 3.97Å; D125-R128 IonicContact OD1-NH1 3.05Å; D125-R128 PolarHBondContact OD1-NH1 2.99Å; D125-R128 IonicContact OD1-NH2 3.35Å; D125-R128 PolarHBondContact OD1-NH2 2.91Å; D125-R128 IonicContact OD2-CZ 2.84Å; D125-R128 IonicContact OD2-NH2 3.03Å; D125-R128 PolarHBondContact OD2-NH2 3.48Å; D125-V129 VanDerWaalsContact O-CG2 3.32Å; D125-V129 WeakPolarHBondContact O-CG2 3.41Å; D125-V129 PolarHBondContact O-N 3.42Å
126L84.8Confident76.3Confident89 Ų89107.7 Ų107.747%0.46656%0.556SS.*Hα-helixtrans-62.4-38.4174.5-73.8171.7000111.7D122 E123 V129 R130D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 WeakPolarHBondContact O-CG 3.33Å; D122-L126 PolarHBondContact O-N 2.96Å; E123-L126 PolarHBondContact O-N 3.35Å; L126-V129 PolarHBondContact O-N 2.99Å; L126-R130 VanDerWaalsContact O-CB 3.31Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 PolarHBondContact O-N 3.38Å
127L85.5Confident78.9Confident94 Ų94103.6 Ų103.649%0.49254%0.535SS..Hα-helixtrans-65.3-43.8176.3-140.7127.2000110.6E123 D124 D125 R130 V131E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 PolarHBondContact O-N 3.49Å; D124-L127 PolarHBondContact O-N 3.24Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.35Å; L127-R130 PolarHBondContact O-N 2.83Å; L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.01Å; L127-V131 PolarHBondContact O-N 2.94Å
128R86.8Confident80.9Confident141 Ų141107.4 Ų107.453%0.53253%0.532SS..Hα-helixtrans-62-43.7174.5-72.4-171.1-52.8-99.420.3112D124 D125 V131 F132D124-R128 WeakPolarHBondContact O-CB 3.44Å; D124-R128 VanDerWaalsContact O-CG 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.45Å; D124-R128 PolarHBondContact O-N 2.98Å; D125-R128 PolarHBondContact O-N 3.48Å; D125-R128 IonicContact OD1-CZ 3.97Å; D125-R128 IonicContact OD1-NH1 3.05Å; D125-R128 PolarHBondContact OD1-NH1 2.99Å; D125-R128 IonicContact OD1-NH2 3.35Å; D125-R128 PolarHBondContact OD1-NH2 2.91Å; D125-R128 IonicContact OD2-CZ 2.84Å; D125-R128 IonicContact OD2-NH2 3.03Å; D125-R128 PolarHBondContact OD2-NH2 3.48Å; R128-V131 PolarHBondContact O-N 3.21Å; R128-F132 WeakPolarHBondContact O-CB 3.34Å; R128-F132 PolarHBondContact O-N 3.41Å
129V87.3Confident83Confident91 Ų91105.3 Ų105.355%0.55253%0.525SS*.Hα-helixtrans-62-44.1175.7170.90000110.8D125 L126 V131 F132 E133D125-V129 VanDerWaalsContact O-CG2 3.32Å; D125-V129 WeakPolarHBondContact O-CG2 3.41Å; D125-V129 PolarHBondContact O-N 3.42Å; L126-V129 PolarHBondContact O-N 2.99Å; V129-V131 PolarHBondContact O-N 3.02Å; V129-F132 WeakPolarHBondContact O-CB 3.39Å; V129-F132 PolarHBondContact O-N 3.3Å; V129-E133 WeakPolarHBondContact O-CB 3.47Å; V129-E133 PolarHBondContact O-N 2.89Å
130R89.5Confident84.8Confident159 Ų159103.5 Ų103.560%0.652%0.515SS*.Hα-helixtrans-63.3-42.9178.4-170.2-179.1-60.7160.66.1112.1L126 L127 E133 A134L126-R130 VanDerWaalsContact O-CB 3.31Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 PolarHBondContact O-N 3.38Å; L127-R130 PolarHBondContact O-N 2.83Å; R130-E133 PolarHBondContact O-N 2.9Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 2.85Å
131V91.5Very high86.4Confident75 Ų75101.8 Ų101.846%0.45551%0.505SS..Hα-helixtrans-64.2-43.4175170.20000110.7L127 R128 V129 A134 N135L127-V131 VanDerWaalsContact O-CG2 3.29Å; L127-V131 WeakPolarHBondContact O-CG2 3.01Å; L127-V131 PolarHBondContact O-N 2.94Å; R128-V131 PolarHBondContact O-N 3.21Å; V129-V131 PolarHBondContact O-N 3.02Å; V131-A134 PolarHBondContact O-N 3.49Å; V131-N135 WeakPolarHBondContact O-CB 3.49Å; V131-N135 VanDerWaalsContact O-CG 3.27Å; V131-N135 PolarHBondContact O-N 3.43Å; V131-N135 PolarHBondContact O-ND2 2.94Å
132F89.8Confident87.8Confident151 Ų151102 Ų10266%0.66250%0.501SS*.Hα-helixtrans-60.6-45.1175.7178.7-98.4000111.7R128 V129 N135 C136R128-F132 WeakPolarHBondContact O-CB 3.34Å; R128-F132 PolarHBondContact O-N 3.41Å; V129-F132 WeakPolarHBondContact O-CB 3.39Å; V129-F132 PolarHBondContact O-N 3.3Å; F132-N135 PolarHBondContact O-N 2.93Å; F132-C136 WeakPolarHBondContact O-CB 3.4Å; F132-C136 PolarHBondContact O-N 3.44Å
133E92.2Very high88.9Confident93 Ų93104.1 Ų104.144%0.43551%0.505SS..Hα-helixtrans-61.9-46.4177.4-168.2-168.3166.200111.6V129 R130 N135 C136 K137V129-E133 WeakPolarHBondContact O-CB 3.47Å; V129-E133 PolarHBondContact O-N 2.89Å; R130-E133 PolarHBondContact O-N 2.9Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 2.84Å; E133-C136 WeakPolarHBondContact O-CB 3.35Å; E133-C136 PolarHBondContact O-N 3.04Å; E133-K137 WeakPolarHBondContact O-CG 3.39Å; E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 WeakPolarHBondContact OE1-CE 3.49Å; E133-K137 IonicContact OE1-NZ 3.72Å; E133-K137 PolarHBondContact OE1-NZ 3.18Å
134A91.8Very high89.6Confident55 Ų55104.7 Ų104.746%0.45551%0.51SS..Hα-helixtrans-60.9-42.4176.600000111.9R130 V131 K137 R138R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 2.85Å; V131-A134 PolarHBondContact O-N 3.49Å; A134-K137 PolarHBondContact O-N 3.11Å; A134-R138 WeakPolarHBondContact O-CB 3.41Å; A134-R138 PolarHBondContact O-N 2.86Å
135N92.7Very high90.1Very high83 Ų83106.3 Ų106.344%0.44451%0.512SS..Hα-helixtrans-65.3-40.8176.1-77.4-29.5000112.1V131 F132 E133 R138 N139V131-N135 WeakPolarHBondContact O-CB 3.49Å; V131-N135 VanDerWaalsContact O-CG 3.27Å; V131-N135 PolarHBondContact O-N 3.43Å; V131-N135 PolarHBondContact O-ND2 2.94Å; F132-N135 PolarHBondContact O-N 2.93Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 2.84Å; N135-R138 PolarHBondContact O-N 2.89Å; N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 PolarHBondContact O-N 3.1Å; N135-N139 PolarHBondContact O-ND2 3.36Å
136C93Very high90.2Very high55 Ų55107 Ų10737%0.37252%0.515SS..Hα-helixtrans-61.1-49.3175-171.60000111F132 E133 R138 N139 I140F132-C136 WeakPolarHBondContact O-CB 3.4Å; F132-C136 PolarHBondContact O-N 3.44Å; E133-C136 WeakPolarHBondContact O-CB 3.35Å; E133-C136 PolarHBondContact O-N 3.04Å; C136-R138 VanDerWaalsContact C-N 3.34Å; C136-R138 PolarHBondContact O-N 3.18Å; C136-N139 PolarHBondContact O-N 3.21Å; C136-N139 VanDerWaalsContact O-N 3.15Å; C136-I140 WeakPolarHBondContact O-CG1 3.33Å; C136-I140 PolarHBondContact O-N 3.25Å
137K95.1Very high90.2Very high124 Ų124105.8 Ų105.854%0.53951%0.51SS..Hα-helixtrans-56.3-45.6175-73.5174.5-177.2168.40111.9E133 A134 N139 I140 L141E133-K137 WeakPolarHBondContact O-CG 3.39Å; E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 WeakPolarHBondContact OE1-CE 3.49Å; E133-K137 IonicContact OE1-NZ 3.72Å; E133-K137 PolarHBondContact OE1-NZ 3.18Å; A134-K137 PolarHBondContact O-N 3.11Å; K137-N139 PolarHBondContact O-N 3.33Å; K137-I140 PolarHBondContact O-N 3.06Å; K137-L141 WeakPolarHBondContact O-CB 3.48Å; K137-L141 PolarHBondContact O-N 2.72Å
138R91Very high90.2Very high159 Ų159110.2 Ų110.260%0.652%0.52SS*.Hα-helixtrans-61.3-42.4176.9-175179.8177.2102.6-2.8111.9A134 N135 C136 L141 K142A134-R138 WeakPolarHBondContact O-CB 3.41Å; A134-R138 PolarHBondContact O-N 2.86Å; N135-R138 PolarHBondContact O-N 2.89Å; C136-R138 VanDerWaalsContact C-N 3.34Å; C136-R138 PolarHBondContact O-N 3.18Å; R138-L141 PolarHBondContact O-N 2.95Å; R138-K142 WeakPolarHBondContact O-CG 3.46Å; R138-K142 PolarHBondContact O-N 3.02Å
139N92.9Very high90.2Very high99 Ų99109.3 Ų109.353%0.52952%0.521SS..Hα-helixtrans-68-41.3179-78.9-27.4000112.5N135 C136 K137 L141 K142 K143N135-N139 WeakPolarHBondContact O-CB 3.45Å; N135-N139 PolarHBondContact O-N 3.1Å; N135-N139 PolarHBondContact O-ND2 3.36Å; C136-N139 PolarHBondContact O-N 3.21Å; C136-N139 VanDerWaalsContact O-N 3.15Å; K137-N139 PolarHBondContact O-N 3.33Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.38Å; N139-K142 PolarHBondContact O-N 3.08Å; N139-K143 PolarHBondContact O-N 2.88Å
140I92.8Very high90.1Very high95 Ų95110.8 Ų110.849%0.48752%0.521SS..Hα-helixtrans-59.9-47.6174-67.4165.8000110C136 K137 K142 K143 M144C136-I140 WeakPolarHBondContact O-CG1 3.33Å; C136-I140 PolarHBondContact O-N 3.25Å; K137-I140 PolarHBondContact O-N 3.06Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.44Å; I140-K143 PolarHBondContact O-N 2.84Å; I140-M144 HydrophobicContact CG2-CG 4.49Å; I140-M144 HydrophobicContact CG2-SD 4.19Å; I140-M144 WeakPolarHBondContact O-CG 3.36Å; I140-M144 PolarHBondContact O-N 3.11Å
141L89.5Confident89.9Confident96 Ų96108.2 Ų108.250%0.50352%0.523SS..Hα-helixtrans-62.4-41178.9-175.661.7000112.3K137 R138 N139 M144 K145K137-L141 WeakPolarHBondContact O-CB 3.48Å; K137-L141 PolarHBondContact O-N 2.72Å; R138-L141 PolarHBondContact O-N 2.95Å; N139-L141 VanDerWaalsContact C-N 3.34Å; N139-L141 PolarHBondContact O-N 3.38Å; L141-M144 PolarHBondContact O-N 2.85Å; L141-K145 WeakPolarHBondContact O-CG 3.29Å; L141-K145 PolarHBondContact O-N 3.2Å
142K92.1Very high89.8Confident113 Ų113108.9 Ų108.949%0.49152%0.522SS..Hα-helixtrans-59.9-45.1173.6-79.2179.5174.6-173.40111.7R138 N139 I140 K145 L146R138-K142 WeakPolarHBondContact O-CG 3.46Å; R138-K142 PolarHBondContact O-N 3.02Å; N139-K142 PolarHBondContact O-N 3.08Å; I140-K142 VanDerWaalsContact C-N 3.35Å; I140-K142 PolarHBondContact O-N 3.44Å; K142-K145 PolarHBondContact O-N 2.9Å; K142-L146 WeakPolarHBondContact O-CB 3.12Å; K142-L146 PolarHBondContact O-N 2.64Å
143K90.6Very high89.8Confident143 Ų143106.3 Ų106.362%0.62251%0.513SS*.Hα-helixtrans-61.2-46.6177.4-172.4-179.4177.2-175.20111.3N139 I140 K145 L146 D147N139-K143 PolarHBondContact O-N 2.88Å; I140-K143 PolarHBondContact O-N 2.84Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 2.92Å; K143-L146 PolarHBondContact O-N 2.95Å; K143-D147 PolarHBondContact O-N 3.33Å
144M89.4Confident89.6Confident124 Ų124104.7 Ų104.761%0.61152%0.515SS*.Hα-helixtrans-59.9-41.5176.4-69.8179.272.500112.7I140 L141 R148I140-M144 HydrophobicContact CG2-CG 4.49Å; I140-M144 HydrophobicContact CG2-SD 4.19Å; I140-M144 WeakPolarHBondContact O-CG 3.36Å; I140-M144 PolarHBondContact O-N 3.11Å; L141-M144 PolarHBondContact O-N 2.85Å; M144-R148 WeakPolarHBondContact O-CB 3.42Å; M144-R148 PolarHBondContact O-N 3.45Å
145K90.1Very high89.6Confident124 Ų124103.7 Ų103.754%0.53951%0.511SS..Hα-helixtrans-62.5-47175.3-76.2-176.8175.7-170.50111.5L141 K142 K143 D147 R148 E149L141-K145 WeakPolarHBondContact O-CG 3.29Å; L141-K145 PolarHBondContact O-N 3.2Å; K142-K145 PolarHBondContact O-N 2.9Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 2.92Å; K145-D147 PolarHBondContact O-N 3Å; K145-R148 WeakPolarHBondContact O-CB 3.37Å; K145-R148 PolarHBondContact O-N 2.59Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 2.98Å
146L86.4Confident89.7Confident84 Ų84104.4 Ų104.444%0.4451%0.513SS..Hα-helixtrans-63.9-38.6179.9-176.2138000112.3K142 K143 E149 K150K142-L146 WeakPolarHBondContact O-CB 3.12Å; K142-L146 PolarHBondContact O-N 2.64Å; K143-L146 PolarHBondContact O-N 2.95Å; L146-E149 PolarHBondContact O-N 3.2Å; L146-K150 HydrophobicContact CD2-CD 4.22Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 3.03Å
147D84.6Confident89.7Confident64 Ų64109.1 Ų109.134%0.34252%0.523SS..Hα-helixtrans-70.2-34.3175.4-70-24.3000112.2K143 K145 K150 T151K143-D147 PolarHBondContact O-N 3.33Å; K145-D147 PolarHBondContact O-N 3Å; D147-K150 IonicContact OD1-NZ 3.19Å; D147-K150 PolarHBondContact OD1-NZ 2.89Å; D147-T151 PolarHBondContact O-N 2.84Å; D147-T151 VanDerWaalsContact O-N 3.1Å; D147-T151 PolarHBondContact O-OG1 2.84Å
148R85.9Confident89.7Confident186 Ų186110.3 Ų110.370%0.70253%0.531SS*.Hα-helixtrans-64.9-44.1170.4-171.7178.5-177.1165.51111.7M144 K145 T151 I152M144-R148 WeakPolarHBondContact O-CB 3.42Å; M144-R148 PolarHBondContact O-N 3.45Å; K145-R148 WeakPolarHBondContact O-CB 3.37Å; K145-R148 PolarHBondContact O-N 2.59Å; R148-T151 WeakPolarHBondContact O-CB 3.29Å; R148-T151 PolarHBondContact O-N 3.45Å; R148-I152 HydrophobicContact CG-CD1 4.11Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.4Å
149E85.1Confident89.9Confident122 Ų122107.7 Ų107.757%0.5753%0.528SS*.Hα-helixtrans-60.6-43.7176.1-76.2167.7-164.900111.7K145 L146 T151 I152 E153K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 2.98Å; L146-E149 PolarHBondContact O-N 3.2Å; E149-T151 VanDerWaalsContact C-N 3.29Å; E149-T151 PolarHBondContact O-N 2.66Å; E149-I152 PolarHBondContact O-N 3.32Å; E149-E153 WeakPolarHBondContact O-CB 3.49Å; E149-E153 PolarHBondContact O-N 2.9Å
150K85.8Confident90.1Very high123 Ų123108.9 Ų108.954%0.53553%0.529SS..Hα-helixtrans-57.7-41.4172.7-73.4172-174159.40112.6L146 D147 E153 A154L146-K150 HydrophobicContact CD2-CD 4.22Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 3.03Å; D147-K150 IonicContact OD1-NZ 3.19Å; D147-K150 PolarHBondContact OD1-NZ 2.89Å; K150-E153 PolarHBondContact O-N 3.23Å; K150-A154 WeakPolarHBondContact O-CB 3.37Å; K150-A154 PolarHBondContact O-N 3.45Å
151T85Confident90.2Very high105 Ų105108.8 Ų108.864%0.64453%0.529SS*.Hα-helixtrans-66.5-40.7178.7-550000111.1D147 R148 E149 G155D147-T151 PolarHBondContact O-N 2.84Å; D147-T151 VanDerWaalsContact O-N 3.1Å; D147-T151 PolarHBondContact O-OG1 2.84Å; R148-T151 WeakPolarHBondContact O-CB 3.29Å; R148-T151 PolarHBondContact O-N 3.45Å; E149-T151 VanDerWaalsContact C-N 3.29Å; E149-T151 PolarHBondContact O-N 2.66Å; T151-G155 PolarHBondContact O-N 2.94Å
152I89Confident90.5Very high88 Ų88111.8 Ų111.845%0.45153%0.534SS..Hα-helixtrans-63.6-47.6175-68.4165.8000110.4R148 E149 A154 G155 I156R148-I152 HydrophobicContact CG-CD1 4.11Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 3.4Å; E149-I152 PolarHBondContact O-N 3.32Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.96Å; I152-G155 PolarHBondContact O-N 3.39Å; I152-G155 VanDerWaalsContact O-N 3.11Å; I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 HydrophobicContact CG2-CG1 4.33Å; I152-I156 WeakPolarHBondContact O-CG1 3.39Å; I152-I156 PolarHBondContact O-N 3.17Å
153E90.7Very high90.7Very high97 Ų97110 Ų11045%0.45353%0.529SS..Hα-helixtrans-60.6-42178.8179.557.6-152.700111.9E149 K150 G155 I156 R157E149-E153 WeakPolarHBondContact O-CB 3.49Å; E149-E153 PolarHBondContact O-N 2.9Å; K150-E153 PolarHBondContact O-N 3.23Å; E153-G155 VanDerWaalsContact C-N 3.35Å; E153-G155 PolarHBondContact O-N 3.32Å; E153-I156 PolarHBondContact O-N 3.21Å; E153-R157 WeakPolarHBondContact O-CB 3.29Å; E153-R157 PolarHBondContact O-N 3.03Å; E153-R157 IonicContact OE1-NH2 2.53Å
154A88.2Confident91Very high59 Ų59108.6 Ų108.649%0.48853%0.525SS..Hα-helixtrans-61.3-42.6173.400000111.9K150 I152 R157 Q158K150-A154 WeakPolarHBondContact O-CB 3.37Å; K150-A154 PolarHBondContact O-N 3.45Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 2.96Å; A154-R157 PolarHBondContact O-N 3.36Å; A154-Q158 PolarHBondContact O-N 3.01Å
155G92Very high91.2Very high35 Ų35109.3 Ų109.336%0.36153%0.527SS..Hα-helixtrans-64-43.6175.900000113.3T151 I152 E153 R157 Q158 L159T151-G155 PolarHBondContact O-N 2.94Å; I152-G155 PolarHBondContact O-N 3.39Å; I152-G155 VanDerWaalsContact O-N 3.11Å; E153-G155 VanDerWaalsContact C-N 3.35Å; E153-G155 PolarHBondContact O-N 3.32Å; G155-R157 VanDerWaalsContact C-N 3.35Å; G155-Q158 PolarHBondContact O-N 3.05Å; G155-L159 PolarHBondContact O-N 2.78Å
156I94.6Very high91.5Very high98 Ų98107.8 Ų107.850%0.50352%0.523SS..Hα-helixtrans-62-44.4175.8-68.6170.1000110.3I152 E153 Q158 L159 K160I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 HydrophobicContact CG2-CG1 4.33Å; I152-I156 WeakPolarHBondContact O-CG1 3.39Å; I152-I156 PolarHBondContact O-N 3.17Å; E153-I156 PolarHBondContact O-N 3.21Å; I156-Q158 PolarHBondContact O-N 3.4Å; I156-L159 PolarHBondContact O-N 3.31Å; I156-K160 PolarHBondContact O-N 3.4Å
157R93.4Very high91.9Very high153 Ų153110.1 Ų110.158%0.57753%0.529SS*.Hα-helixtrans-61.6-43.4177.4-172.6178.4-61.1-139.7-2.9112.2E153 A154 G155 L159 K160 N161E153-R157 WeakPolarHBondContact O-CB 3.29Å; E153-R157 PolarHBondContact O-N 3.03Å; E153-R157 IonicContact OE1-NH2 2.53Å; A154-R157 PolarHBondContact O-N 3.36Å; G155-R157 VanDerWaalsContact C-N 3.35Å; R157-L159 VanDerWaalsContact C-N 3.33Å; R157-L159 PolarHBondContact O-N 3.09Å; R157-K160 PolarHBondContact O-N 2.96Å; R157-N161 PolarHBondContact O-N 2.93Å; R157-N161 PolarHBondContact O-OD1 3.29Å
158Q93.8Very high92.4Very high149 Ų149109.1 Ų109.170%0.69653%0.534SS*.Hα-helixtrans-61.5-43.2175.6-174.1-179.17.400111.5A154 G155 I156 K160 N161 R162A154-Q158 PolarHBondContact O-N 3.01Å; G155-Q158 PolarHBondContact O-N 3.05Å; I156-Q158 PolarHBondContact O-N 3.4Å; Q158-K160 VanDerWaalsContact C-N 3.34Å; Q158-N161 PolarHBondContact O-N 3.21Å; Q158-R162 PolarHBondContact O-N 3.39Å; Q158-R162 VanDerWaalsContact O-N 3.12Å
159L96.9Very high92.9Very high105 Ų105103.4 Ų103.455%0.5552%0.523SS..Hα-helixtrans-63.2-41.3176.9-177.460.4000111.7G155 I156 R157 R162 L163G155-L159 PolarHBondContact O-N 2.78Å; I156-L159 PolarHBondContact O-N 3.31Å; R157-L159 VanDerWaalsContact C-N 3.33Å; R157-L159 PolarHBondContact O-N 3.09Å; L159-R162 PolarHBondContact O-N 2.95Å; L159-L163 HydrophobicContact CG-CD1 4.29Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.33Å
160K96.8Very high93.3Very high123 Ų123103 Ų10354%0.53552%0.524SS..Hα-helixtrans-59.7-48.2175.9-175.5-176.7173.1-173.30111.8I156 R157 Q158 R162 L163 E164I156-K160 PolarHBondContact O-N 3.4Å; R157-K160 PolarHBondContact O-N 2.96Å; Q158-K160 VanDerWaalsContact C-N 3.34Å; K160-R162 VanDerWaalsContact C-N 3.3Å; K160-R162 PolarHBondContact O-N 3.42Å; K160-L163 WeakPolarHBondContact O-CB 3.43Å; K160-L163 PolarHBondContact O-N 2.95Å; K160-L163 VanDerWaalsContact O-N 3.15Å; K160-E164 VanDerWaalsContact CE-OE1 3.26Å; K160-E164 WeakPolarHBondContact CE-OE1 3.37Å; K160-E164 IonicContact NZ-OE1 2.64Å; K160-E164 PolarHBondContact O-N 2.82Å
161N94.8Very high93.7Very high93 Ų93102.9 Ų102.950%0.49753%0.527SS..Hα-helixtrans-60.1-42.1178.9-68.8-1.5000111.6R157 Q158 L163 E164 E165R157-N161 PolarHBondContact O-N 2.93Å; R157-N161 PolarHBondContact O-OD1 3.29Å; Q158-N161 PolarHBondContact O-N 3.21Å; N161-L163 VanDerWaalsContact C-N 3.34Å; N161-L163 PolarHBondContact O-N 3.5Å; N161-E164 PolarHBondContact O-N 3.18Å; N161-E165 PolarHBondContact O-N 3.45Å
162R95.9Very high94.1Very high159 Ų159100.2 Ų100.260%0.651%0.512SS*.Hα-helixtrans-64.7-37.8176.7-176.2179.2168.2-171.5-2.8112.3Q158 L159 K160 M166Q158-R162 PolarHBondContact O-N 3.39Å; Q158-R162 VanDerWaalsContact O-N 3.12Å; L159-R162 PolarHBondContact O-N 2.95Å; K160-R162 VanDerWaalsContact C-N 3.3Å; K160-R162 PolarHBondContact O-N 3.42Å; R162-M166 HydrophobicContact CG-CE 4.39Å; R162-M166 WeakPolarHBondContact O-CG 3.33Å; R162-M166 PolarHBondContact O-N 2.85Å; R162-M166 VanDerWaalsContact O-N 3.09Å
163L96.4Very high94.4Very high77 Ų7799.9 Ų99.940%0.40352%0.515SS..Hα-helixtrans-63.7-46.6174.4-77.7166.1000111.2L159 K160 N161 E165 M166 F167L159-L163 HydrophobicContact CG-CD1 4.29Å; L159-L163 WeakPolarHBondContact O-CG 3.5Å; L159-L163 PolarHBondContact O-N 3.33Å; K160-L163 WeakPolarHBondContact O-CB 3.43Å; K160-L163 PolarHBondContact O-N 2.95Å; K160-L163 VanDerWaalsContact O-N 3.15Å; N161-L163 VanDerWaalsContact C-N 3.34Å; N161-L163 PolarHBondContact O-N 3.5Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.46Å; L163-M166 HydrophobicContact CD2-CE 3.71Å; L163-M166 HydrophobicContact CG-CE 4.33Å; L163-M166 PolarHBondContact O-N 2.89Å; L163-F167 VanDerWaalsContact O-CD2 3.22Å; L163-F167 WeakPolarHBondContact O-CD2 3.37Å; L163-F167 PolarHBondContact O-N 3.46Å
164E95.5Very high94.4Very high112 Ų11297.1 Ų97.152%0.52351%0.512SS..Hα-helixtrans-58.1-42.2176.4-84172-174.100112.2K160 N161 F167 G168K160-E164 VanDerWaalsContact CE-OE1 3.26Å; K160-E164 WeakPolarHBondContact CE-OE1 3.37Å; K160-E164 IonicContact NZ-OE1 2.64Å; K160-E164 PolarHBondContact O-N 2.82Å; N161-E164 PolarHBondContact O-N 3.18Å; E164-F167 PolarHBondContact O-N 2.79Å; E164-G168 PolarHBondContact O-N 3.48Å
165E95.1Very high94.6Very high139 Ų139100 Ų10065%0.6552%0.515SS*.Hα-helixtrans-62.8-44.1175.9-174.1-177.4179.900112.6N161 L163 G168 S169N161-E165 PolarHBondContact O-N 3.45Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.46Å; E165-G168 PolarHBondContact O-N 2.9Å; E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.5Å; E165-S169 PolarHBondContact O-OG 2.68Å
166M96.4Very high94.7Very high92 Ų92104.6 Ų104.645%0.45353%0.525SS..Hα-helixtrans-64.7-39.9176.2-71.5-173.9-56.600111.7R162 L163 S169 L170R162-M166 HydrophobicContact CG-CE 4.39Å; R162-M166 WeakPolarHBondContact O-CG 3.33Å; R162-M166 PolarHBondContact O-N 2.85Å; R162-M166 VanDerWaalsContact O-N 3.09Å; L163-M166 HydrophobicContact CD2-CE 3.71Å; L163-M166 HydrophobicContact CG-CE 4.33Å; L163-M166 PolarHBondContact O-N 2.89Å; M166-S169 PolarHBondContact O-N 3.34Å; M166-L170 WeakPolarHBondContact O-CB 3.41Å; M166-L170 PolarHBondContact O-N 2.93Å
167F95.1Very high94.5Very high133 Ų133104.3 Ų104.358%0.58353%0.528SS*.Hα-helixtrans-63.5-44.6174.5-88.5-70.1000111.8L163 E164 S169 L170 M171L163-F167 VanDerWaalsContact O-CD2 3.22Å; L163-F167 WeakPolarHBondContact O-CD2 3.37Å; L163-F167 PolarHBondContact O-N 3.46Å; E164-F167 PolarHBondContact O-N 2.79Å; F167-S169 VanDerWaalsContact C-N 3.32Å; F167-S169 PolarHBondContact O-N 3.32Å; F167-L170 PolarHBondContact O-N 3.42Å; F167-M171 WeakPolarHBondContact O-CG 3.26Å; F167-M171 PolarHBondContact O-N 3.47Å
168G95Very high94.4Very high43 Ų43102.6 Ų102.644%0.44353%0.526SS..Hα-helixtrans-60.4-42.2175.300000112.4E164 E165 M171 S172E164-G168 PolarHBondContact O-N 3.48Å; E165-G168 PolarHBondContact O-N 2.9Å; G168-M171 PolarHBondContact O-N 3Å; G168-S172 PolarHBondContact O-N 3.36Å
169S95Very high94.2Very high67 Ų6797.5 Ų97.547%0.46951%0.507SS..Hα-helixtrans-63-42.8175.5-59.20000112E165 M166 F167 S172 V173E165-S169 WeakPolarHBondContact O-CB 3.28Å; E165-S169 PolarHBondContact O-N 3.5Å; E165-S169 PolarHBondContact O-OG 2.68Å; M166-S169 PolarHBondContact O-N 3.34Å; F167-S169 VanDerWaalsContact C-N 3.32Å; F167-S169 PolarHBondContact O-N 3.32Å; S169-S172 PolarHBondContact O-N 3.09Å; S169-V173 WeakPolarHBondContact O-CG2 3.31Å; S169-V173 PolarHBondContact O-N 2.93Å
170L94Very high93.9Very high112 Ų11296.2 Ų96.259%0.58650%0.504SS*.Hα-helixtrans-62.7-43.5177.1-179.561.5000111.7M166 F167 V173 G174M166-L170 WeakPolarHBondContact O-CB 3.41Å; M166-L170 PolarHBondContact O-N 2.93Å; F167-L170 PolarHBondContact O-N 3.42Å; L170-V173 PolarHBondContact O-N 3.38Å; L170-G174 PolarHBondContact O-N 3.15Å
171M94Very high93.5Very high121 Ų12193.1 Ų93.160%0.59650%0.497SS*.Hα-helixtrans-60.7-45175.5-70.3-58.6-61.800111.4F167 G168 V173 G174 E175F167-M171 WeakPolarHBondContact O-CG 3.26Å; F167-M171 PolarHBondContact O-N 3.47Å; G168-M171 PolarHBondContact O-N 3Å; M171-V173 VanDerWaalsContact C-N 3.33Å; M171-V173 PolarHBondContact O-N 2.92Å; M171-G174 WeakPolarHBondContact O-CA 3.5Å; M171-G174 PolarHBondContact O-N 2.92Å; M171-G174 VanDerWaalsContact O-N 3.13Å; M171-E175 WeakPolarHBondContact O-CG 3.35Å; M171-E175 PolarHBondContact O-N 3.27Å
172S93.7Very high93.1Very high49 Ų4995.5 Ų95.534%0.34350%0.5SS..Hα-helixtrans-61.8-38.8176.8-178.10000112.9G168 S169 K176G168-S172 PolarHBondContact O-N 3.36Å; S169-S172 PolarHBondContact O-N 3.09Å; S172-K176 WeakPolarHBondContact O-CG 3.32Å; S172-K176 PolarHBondContact O-N 3.4Å; S172-K176 VanDerWaalsContact O-N 3.15Å
173V94.2Very high92.7Very high82 Ų8292 Ų9250%0.49749%0.493SS..Hα-helixtrans-67-41.5174172.60000110.7S169 L170 M171 E175 K176 V177S169-V173 WeakPolarHBondContact O-CG2 3.31Å; S169-V173 PolarHBondContact O-N 2.93Å; L170-V173 PolarHBondContact O-N 3.38Å; M171-V173 VanDerWaalsContact C-N 3.33Å; M171-V173 PolarHBondContact O-N 2.92Å; V173-E175 PolarHBondContact O-N 2.93Å; V173-K176 PolarHBondContact O-N 2.89Å; V173-V177 HydrophobicContact CG1-CG2 4.32Å; V173-V177 WeakPolarHBondContact O-CG2 3.4Å; V173-V177 PolarHBondContact O-N 3.3Å
174G92.6Very high92.1Very high38 Ų3893.1 Ų93.139%0.39250%0.498SS..Hα-helixtrans-56.9-47.8175.200000112.4L170 M171 K176 V177 E178L170-G174 PolarHBondContact O-N 3.15Å; M171-G174 WeakPolarHBondContact O-CA 3.5Å; M171-G174 PolarHBondContact O-N 2.92Å; M171-G174 VanDerWaalsContact O-N 3.13Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.47Å; G174-V177 PolarHBondContact O-N 3.03Å; G174-E178 WeakPolarHBondContact O-CB 3.26Å; G174-E178 PolarHBondContact O-N 3.17Å
175E92.6Very high91.5Very high120 Ų12093.5 Ų93.556%0.56150%0.5SS*.Hα-helixtrans-59.9-41.7176.4-71.7173.4-179.500112.3M171 V173 E178 S179M171-E175 WeakPolarHBondContact O-CG 3.35Å; M171-E175 PolarHBondContact O-N 3.27Å; V173-E175 PolarHBondContact O-N 2.93Å; E175-E178 PolarHBondContact O-N 2.64Å; E175-S179 PolarHBondContact O-N 2.93Å
176K92.3Very high90.9Very high131 Ų13193.6 Ų93.657%0.5750%0.498SS*.Hα-helixtrans-66-39.3176-72.5172.9-177.5177.90112.4S172 V173 G174 S179 V180S172-K176 WeakPolarHBondContact O-CG 3.32Å; S172-K176 PolarHBondContact O-N 3.4Å; S172-K176 VanDerWaalsContact O-N 3.15Å; V173-K176 PolarHBondContact O-N 2.89Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.47Å; K176-S179 WeakPolarHBondContact CA-OG 3.15Å; K176-S179 PolarHBondContact O-N 2.86Å; K176-S179 PolarHBondContact O-OG 3.2Å; K176-V180 WeakPolarHBondContact O-CB 3.34Å; K176-V180 VanDerWaalsContact O-CG2 3.24Å; K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 2.91Å
177V91.5Very high90.1Very high93 Ų9395.7 Ų95.756%0.56451%0.505SS*.Hα-helixtrans-66.6-42.2176.7170.40000110.2V173 G174 S179 V180 S181V173-V177 HydrophobicContact CG1-CG2 4.32Å; V173-V177 WeakPolarHBondContact O-CG2 3.4Å; V173-V177 PolarHBondContact O-N 3.3Å; G174-V177 PolarHBondContact O-N 3.03Å; V177-S179 PolarHBondContact O-N 3.09Å; V177-V180 PolarHBondContact O-N 2.81Å; V177-S181 WeakPolarHBondContact O-CB 3.35Å; V177-S181 PolarHBondContact O-N 3.32Å
178E90.5Very high89.3Confident116 Ų11692.2 Ų92.254%0.54250%0.497SS..Hα-helixtrans-65.1-37.8176.7-172.1178.8-173.800112.3G174 E175 S181 R182G174-E178 WeakPolarHBondContact O-CB 3.26Å; G174-E178 PolarHBondContact O-N 3.17Å; E175-E178 PolarHBondContact O-N 2.64Å; E178-S181 PolarHBondContact O-N 2.9Å; E178-R182 PolarHBondContact O-N 3.27Å; E178-R182 VanDerWaalsContact O-N 3.07Å; E178-R182 PolarHBondContact O-NE 3.42Å
179S89.9Confident88.3Confident43 Ų4393.4 Ų93.430%0.30150%0.499SS..Hα-helixtrans-65.8-45.717469.80000111.6E175 K176 V177 S181 R182 D183E175-S179 PolarHBondContact O-N 2.93Å; K176-S179 WeakPolarHBondContact CA-OG 3.15Å; K176-S179 PolarHBondContact O-N 2.86Å; K176-S179 PolarHBondContact O-OG 3.2Å; V177-S179 PolarHBondContact O-N 3.09Å; S179-S181 VanDerWaalsContact C-N 3.3Å; S179-S181 PolarHBondContact O-N 3.38Å; S179-R182 PolarHBondContact O-N 3.4Å; S179-D183 VanDerWaalsContact O-CG 3.29Å; S179-D183 PolarHBondContact O-N 3.26Å
180V90.4Very high87Confident78 Ų7892 Ų9247%0.47349%0.491SS..Hα-helixtrans-62.2-39.1177.1170.30000111.2K176 V177 D183 I184K176-V180 WeakPolarHBondContact O-CB 3.34Å; K176-V180 VanDerWaalsContact O-CG2 3.24Å; K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 2.91Å; V177-V180 PolarHBondContact O-N 2.81Å; V180-D183 PolarHBondContact O-N 2.85Å; V180-I184 HydrophobicContact CG1-CD1 3.82Å; V180-I184 HydrophobicContact CG1-CG1 4.41Å; V180-I184 VanDerWaalsContact O-CG1 3.25Å; V180-I184 WeakPolarHBondContact O-CG1 3.1Å; V180-I184 PolarHBondContact O-N 3.45Å
181S89.9Confident85.5Confident57 Ų5790 Ų9040%0.39949%0.487SS..Hα-helixtrans-61.6-45.5175.7-163.40000111.5V177 E178 S179 D183 I184 E185V177-S181 WeakPolarHBondContact O-CB 3.35Å; V177-S181 PolarHBondContact O-N 3.32Å; E178-S181 PolarHBondContact O-N 2.9Å; S179-S181 VanDerWaalsContact C-N 3.3Å; S179-S181 PolarHBondContact O-N 3.38Å; S181-D183 VanDerWaalsContact C-N 3.34Å; S181-D183 PolarHBondContact O-N 2.83Å; S181-I184 PolarHBondContact O-N 3.23Å; S181-E185 WeakPolarHBondContact O-CG 3.21Å; S181-E185 PolarHBondContact O-N 3.45Å
182R85Confident83.7Confident144 Ų14490.7 Ų90.754%0.54349%0.489SS..Hα-helixtrans-63.2-39.6175.9-78.9-175.7-79.5158.9-10.5112.4E178 S179 E185 F186E178-R182 PolarHBondContact O-N 3.27Å; E178-R182 VanDerWaalsContact O-N 3.07Å; E178-R182 PolarHBondContact O-NE 3.42Å; S179-R182 PolarHBondContact O-N 3.4Å; R182-E185 PolarHBondContact O-N 2.81Å; R182-F186 WeakPolarHBondContact O-CB 3.36Å; R182-F186 PolarHBondContact O-N 2.89Å
183D86.8Confident81.9Confident86 Ų8693.9 Ų93.946%0.4650%0.501SS..Hα-helixtrans-63.3-44.2175.9-69.1-18.6000110.8S179 V180 S181 E185 F186 F187S179-D183 VanDerWaalsContact O-CG 3.29Å; S179-D183 PolarHBondContact O-N 3.26Å; V180-D183 PolarHBondContact O-N 2.85Å; S181-D183 VanDerWaalsContact C-N 3.34Å; S181-D183 PolarHBondContact O-N 2.83Å; D183-E185 PolarHBondContact O-N 3.37Å; D183-F186 WeakPolarHBondContact O-CB 3.29Å; D183-F186 PolarHBondContact O-N 3.27Å; D183-F187 HydrophobicContact CB-CD2 4.36Å; D183-F187 HydrophobicContact CB-CE2 4.12Å; D183-F187 WeakPolarHBondContact O-CD2 3.32Å; D183-F187 WeakPolarHBondContact O-CG 3.33Å; D183-F187 PolarHBondContact O-N 2.87Å
184I84.1Confident79.9Confident99 Ų9998.2 Ų98.251%0.50851%0.513SS..Hα-helixtrans-61.4-44176.6-68.8164.8000111.3V180 S181 F186 F187 S188V180-I184 HydrophobicContact CG1-CD1 3.82Å; V180-I184 HydrophobicContact CG1-CG1 4.41Å; V180-I184 VanDerWaalsContact O-CG1 3.25Å; V180-I184 WeakPolarHBondContact O-CG1 3.1Å; V180-I184 PolarHBondContact O-N 3.45Å; S181-I184 PolarHBondContact O-N 3.23Å; I184-F186 VanDerWaalsContact C-N 3.33Å; I184-F186 PolarHBondContact O-N 3.48Å; I184-F187 PolarHBondContact O-N 3.36Å; I184-S188 WeakPolarHBondContact O-CB 3.27Å; I184-S188 PolarHBondContact O-N 2.83Å; I184-S188 PolarHBondContact O-OG 2.86Å
185E83.8Confident77.8Confident121 Ų12199.6 Ų99.657%0.56552%0.517SS*.Hα-helixtrans-62.3-40.9176.1-74.3174.6-167.700111.7S181 R182 D183 S188 S189S181-E185 WeakPolarHBondContact O-CG 3.21Å; S181-E185 PolarHBondContact O-N 3.45Å; R182-E185 PolarHBondContact O-N 2.81Å; D183-E185 PolarHBondContact O-N 3.37Å; E185-S188 PolarHBondContact O-N 2.96Å; E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 2.88Å; E185-S189 PolarHBondContact O-OG 2.92Å
186F81.6Confident75.6Confident140 Ų14098.6 Ų98.661%0.61452%0.519SS*.Hα-helixtrans-64.3-46.6175.7-178.1-97.3000112.1R182 D183 I184 S188 S189 A190R182-F186 WeakPolarHBondContact O-CB 3.36Å; R182-F186 PolarHBondContact O-N 2.89Å; D183-F186 WeakPolarHBondContact O-CB 3.29Å; D183-F186 PolarHBondContact O-N 3.27Å; I184-F186 VanDerWaalsContact C-N 3.33Å; I184-F186 PolarHBondContact O-N 3.48Å; F186-S188 VanDerWaalsContact C-N 3.33Å; F186-S188 PolarHBondContact O-N 3.25Å; F186-S189 PolarHBondContact O-N 3.3Å; F186-A190 WeakPolarHBondContact O-CB 3.45Å; F186-A190 PolarHBondContact O-N 3.43Å
187F80.9Confident73.1Confident136 Ų13699.7 Ų99.760%0.59653%0.526SS*.Hα-helixtrans-65.4-36.3177.6-73-60000112.4D183 I184 A190 S191D183-F187 HydrophobicContact CB-CD2 4.36Å; D183-F187 HydrophobicContact CB-CE2 4.12Å; D183-F187 WeakPolarHBondContact O-CD2 3.32Å; D183-F187 WeakPolarHBondContact O-CG 3.33Å; D183-F187 PolarHBondContact O-N 2.87Å; I184-F187 PolarHBondContact O-N 3.36Å; F187-A190 PolarHBondContact O-N 3.31Å; F187-S191 WeakPolarHBondContact O-CB 3.15Å; F187-S191 PolarHBondContact O-N 2.81Å; F187-S191 PolarHBondContact O-OG 2.84Å
188S76.8Confident70.7Confident61 Ų61103.9 Ų103.943%0.42754%0.536SS..Hα-helixtrans-63.4-48175.7-58.20000110.5I184 E185 F186 A190 S191 E192I184-S188 WeakPolarHBondContact O-CB 3.27Å; I184-S188 PolarHBondContact O-N 2.83Å; I184-S188 PolarHBondContact O-OG 2.86Å; E185-S188 PolarHBondContact O-N 2.96Å; F186-S188 VanDerWaalsContact C-N 3.33Å; F186-S188 PolarHBondContact O-N 3.25Å; S188-A190 PolarHBondContact O-N 2.9Å; S188-S191 PolarHBondContact O-N 2.63Å; S188-S191 PolarHBondContact O-OG 3.26Å; S188-E192 PolarHBondContact O-N 2.89Å
189S75.5Confident68.2Low67 Ų67105.5 Ų105.547%0.46955%0.548SS..Hα-helixtrans-62.9-40.7176.9-54.60000112.4E185 F186 E192 I193E185-S189 WeakPolarHBondContact O-CB 3.49Å; E185-S189 PolarHBondContact O-N 2.88Å; E185-S189 PolarHBondContact O-OG 2.92Å; F186-S189 PolarHBondContact O-N 3.3Å; S189-E192 PolarHBondContact O-N 3.23Å; S189-I193 WeakPolarHBondContact O-CG1 3.44Å
190A68.2Low66Low37 Ų37109.2 Ų109.231%0.30657%0.569SS.*Hα-helixtrans-69.6-31.9177.800000112.8F186 F187 S188F186-A190 WeakPolarHBondContact O-CB 3.45Å; F186-A190 PolarHBondContact O-N 3.43Å; F187-A190 PolarHBondContact O-N 3.31Å; S188-A190 PolarHBondContact O-N 2.9Å
191S61.3Low63.5Low72 Ų72113.6 Ų113.650%0.50359%0.585SS.*Hα-helixtrans-69.6-35.8176.575.20000112.2F187 S188 I193 K194 S195F187-S191 WeakPolarHBondContact O-CB 3.15Å; F187-S191 PolarHBondContact O-N 2.81Å; F187-S191 PolarHBondContact O-OG 2.84Å; S188-S191 PolarHBondContact O-N 2.63Å; S188-S191 PolarHBondContact O-OG 3.26Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.5Å; S191-K194 PolarHBondContact O-N 3.4Å; S191-S195 PolarHBondContact O-N 2.86Å; S191-S195 PolarHBondContact O-OG 3.21Å
192E56.9Low61.1Low135 Ų135115.9 Ų115.963%0.63160%0.6SS**Hα-helixtrans-61.6-39.7178.9-121.3176.6177.500111.9S188 S189 K194 S195 T196S188-E192 PolarHBondContact O-N 2.89Å; S189-E192 PolarHBondContact O-N 3.23Å; E192-K194 VanDerWaalsContact C-N 3.35Å; E192-K194 PolarHBondContact O-N 3.44Å; E192-S195 PolarHBondContact O-N 3.38Å; E192-S195 PolarHBondContact O-OG 2.89Å; E192-S195 VanDerWaalsContact O-OG 3.04Å; E192-T196 PolarHBondContact O-N 3.01Å; E192-T196 PolarHBondContact O-OG1 3.49Å
193I54.8Low58.9Low116 Ų116115.2 Ų115.260%0.59561%0.612SS**Hα-helixtrans-66-37.3179.6-55.2165.4000111.1S189 S191 T196S189-I193 WeakPolarHBondContact O-CG1 3.44Å; S191-I193 VanDerWaalsContact C-N 3.31Å; S191-I193 PolarHBondContact O-N 3.5Å; I193-T196 PolarHBondContact O-OG1 2.85Å
194K52Low56.4Low172 Ų172118.5 Ų118.575%0.74863%0.63SS**Hα-helixtrans-76.2-27.3179.7-73.4-175.7179.3178.70113.4S191 E192S191-K194 PolarHBondContact O-N 3.4Å; E192-K194 VanDerWaalsContact C-N 3.35Å; E192-K194 PolarHBondContact O-N 3.44Å
195S49.3Very low54.2Low68 Ų68121 Ų12148%0.47664%0.643SS.*Hα-helixtrans-80.2-27.4-179.750.30000114.1S191 E192S191-S195 PolarHBondContact O-N 2.86Å; S191-S195 PolarHBondContact O-OG 3.21Å; E192-S195 PolarHBondContact O-N 3.38Å; E192-S195 PolarHBondContact O-OG 2.89Å; E192-S195 VanDerWaalsContact O-OG 3.04Å
196T45.7Very low51.8Low98 Ų98122.3 Ų122.360%0.60165%0.654SS**Hα-helixtrans-78.6-27.9-179.950.40000113E192 I193 K198E192-T196 PolarHBondContact O-N 3.01Å; E192-T196 PolarHBondContact O-OG1 3.49Å; I193-T196 PolarHBondContact O-OG1 2.85Å; T196-K198 VanDerWaalsContact C-N 3.35Å; T196-K198 PolarHBondContact O-N 2.82Å
197E40.6Very low49.5Very low155 Ų155121.1 Ų121.172%0.72466%0.658SS**Hα-helixtrans-73.4-24.2178.7-117.2177-179.200113.6
198K40.7Very low47.2Very low180 Ų180123.3 Ų123.378%0.78367%0.67SS**THydrogen-bonded Turntrans-89.7-7.8-175.4-140.5-178.4-176.5-173.90114.8T196T196-K198 VanDerWaalsContact C-N 3.35Å; T196-K198 PolarHBondContact O-N 2.82Å
199L38.5Very low45.2Very low150 Ų150127.6 Ų127.679%0.78569%0.688SS**SBendtrans-92.3-9.8-175.2-120.4129.9000114.2
200T42.5Very low43.1Very low122 Ų122130.9 Ų130.975%0.74871%0.705SS**SBendtrans-99.3-6.5179.742.20000114.9
201E39.1Very low41.5Very low170 Ų170134.4 Ų134.479%0.79472%0.722SS**SBendtrans-109.516.6-171.5-146.2177-174.200115.7
202S39.5Very low40Very low104 Ų104139.7 Ų139.773%0.72774%0.739SS**  trans-146.462.9-178.6-57.40000113.7
203T37.9Very low39Very low130 Ų130139 Ų13980%0.79875%0.746SS**  trans-138.370.2168.347.60000111.4
204N34.3Very low37.9Very low155 Ų155142.1 Ų142.183%0.82976%0.758SS**  trans-155.853.4161-148.9-33.2000112.8
205I38.1Very low37Very low152 Ų152142.3 Ų142.378%0.77976%0.759SS**  trans-133.697.3164.9-46.8176000108.2T207I205-T207 PolarHBondContact O-N 3.3Å; I205-T207 VanDerWaalsContact O-N 3.07Å
206D33Very low36.2Very low149 Ų149146.8 Ų146.880%0.79778%0.777SS**  trans-58.396.3174.1-141.5-12.1000109.8
207T34.6Very low35.8Very low114 Ų114149 Ų14970%0.69978%0.78SS**  trans-134.698.1165.935.20000109I205 L209I205-T207 PolarHBondContact O-N 3.3Å; I205-T207 VanDerWaalsContact O-N 3.07Å; T207-L209 PolarHBondContact O-N 2.96Å
208Q32.5Very low35.6Very low182 Ų182147.1 Ų147.185%0.8578%0.779SS**  trans-58.398.7164.7-70.1-176.236.400108.8
209L35.5Very low35.5Very low152 Ų152147.1 Ų147.180%0.79678%0.782SS**  trans-114.591.8167.4-145111.8000108.5T207 T211T207-L209 PolarHBondContact O-N 2.96Å; L209-T211 PolarHBondContact O-N 3.26Å
210V31.4Very low35.5Very low136 Ų136145.8 Ų145.882%0.82478%0.78SS**  trans-72.698.5163.9173.90000107
211T33.9Very low35.5Very low111 Ų111145.2 Ų145.268%0.68178%0.779SS**  trans-154.3115.1148.8-46.50000108.8L209 P213L209-T211 PolarHBondContact O-N 3.26Å; T211-P213 WeakPolarHBondContact O-CD 3.45Å
212E29.1Very low35.7Very low183 Ų183142.9 Ų142.986%0.85578%0.781SS**PPolyproline II helixtrans-67.2123.7174.5-177.5-173.5169.400111.2
213P36.1Very low35.7Very low119 Ų119144.6 Ų144.677%0.77378%0.781SS**PPolyproline II helixtrans-101.3133.8161.711.88.8000110.3T211T211-P213 WeakPolarHBondContact O-CD 3.45Å
214Q31.4Very low36.1Very low183 Ų183142.2 Ų142.286%0.85577%0.769SS**PPolyproline II helixtrans-51.1137.8-175.7-72.6167.9-24.500114.8L216Q214-L216 PolarHBondContact O-N 2.84Å; Q214-L216 VanDerWaalsContact O-N 3.17Å
215K32.5Very low36.8Very low176 Ų176141.2 Ų141.277%0.76576%0.762SS**  trans-45.6109.5160.5-89.8170.7161.8178.80111.7
216L34.1Very low37.1Very low162 Ų162140 Ų14085%0.84876%0.757SS**  trans-90.9102.8155.8-97.5159.1000107.8Q214 T218Q214-L216 PolarHBondContact O-N 2.84Å; Q214-L216 VanDerWaalsContact O-N 3.17Å; L216-T218 PolarHBondContact O-N 3.08Å
217H36.5Very low37.7Very low145 Ų145138.9 Ų138.967%0.67175%0.751SS**  trans-69106.4169.7-75.4-93.8000108.9
218T36.9Very low38Very low115 Ų115141 Ų14171%0.70675%0.753SS**  trans-113.493.7163.6-490000107.2L216 T220L216-T218 PolarHBondContact O-N 3.08Å; T218-T220 PolarHBondContact O-N 2.92Å; T218-T220 VanDerWaalsContact O-N 3.12Å
219E38.4Very low38.5Very low180 Ų180137.2 Ų137.284%0.84174%0.738SS**  trans-68.897.4168.6-73.3-179.4161.800108.5
220T38Very low39Very low121 Ų121134.1 Ų134.174%0.74273%0.729SS**  trans-80123.7163.518.30000108.8T218 S222T218-T220 PolarHBondContact O-N 2.92Å; T218-T220 VanDerWaalsContact O-N 3.12Å; T220-S222 PolarHBondContact O-N 3.49Å; T220-S222 VanDerWaalsContact O-N 3.12Å
221P42.9Very low39.7Very low111 Ų111132.6 Ų132.672%0.72172%0.72SS**  trans-69.4111.2178.425.8-30.8000110I223P221-I223 PolarHBondContact O-N 3.07Å
222S43.2Very low40.2Very low120 Ų120132.3 Ų132.384%0.83972%0.718SS**  trans-72.888.7172580000110T220T220-S222 PolarHBondContact O-N 3.49Å; T220-S222 VanDerWaalsContact O-N 3.12Å
223I40.6Very low40.8Very low141 Ų141129.9 Ų129.972%0.72371%0.711SS**  trans-92.9101.2167.1-59.3172.8000106.9P221 I225P221-I223 PolarHBondContact O-N 3.07Å; I223-I225 PolarHBondContact O-N 2.92Å
224S45.6Very low41.2Very low80 Ų80132.2 Ų132.256%0.55971%0.711SS**  trans-67.1106.5174.11790000109.5N226S224-N226 PolarHBondContact O-N 2.86Å
225I48.1Very low41.6Very low133 Ų133128.2 Ų128.268%0.68270%0.703SS**THydrogen-bonded Turntrans-75.8-10.4176.3-63.5170.7000111.2I223 D227I223-I225 PolarHBondContact O-N 2.92Å; I225-D227 PolarHBondContact O-N 2.81Å
226N44.2Very low41.9Very low126 Ų126129 Ų12967%0.67471%0.707SS**Hα-helixtrans-75.4-18.9-168.7-132.224.1000114.5S224S224-N226 PolarHBondContact O-N 2.86Å
227D45.7Very low42Very low126 Ų126129.5 Ų129.567%0.67471%0.705SS**Hα-helixtrans-84.6-12.9-177.7-71.2-24.5000114.2I225I225-D227 PolarHBondContact O-N 2.81Å
228Q40.7Very low41.8Very low159 Ų159130.7 Ų130.774%0.74371%0.71SS**Hα-helixtrans-86.7-21.5-179.5-74.5-1733700114.2
229I44.7Very low41.9Very low102 Ų102130.5 Ų130.552%0.52371%0.711SS.*Hα-helixtrans-82.5-32.9-176-58177000111.2T231 V232 L233I229-T231 VanDerWaalsContact C-N 3.3Å; I229-T231 PolarHBondContact O-N 3.33Å; I229-V232 PolarHBondContact O-N 3.44Å; I229-L233 HydrophobicContact CG2-CD1 4.37Å
230S46.1Very low41.8Very low88 Ų88127.9 Ų127.962%0.61571%0.707SS**Hα-helixtrans-67.2-26.2-178.3-78.80000114.1
231T45.3Very low42Very low103 Ų103130.1 Ų130.163%0.63271%0.709SS**Hα-helixtrans-79-26.1179.9-22.40000113I229I229-T231 VanDerWaalsContact C-N 3.3Å; I229-T231 PolarHBondContact O-N 3.33Å
232V44.9Very low42.1Very low106 Ų106130.9 Ų130.964%0.64271%0.712SS**Hα-helixtrans-80-26.3-176.1-179.80000112.3I229I229-V232 PolarHBondContact O-N 3.44Å
233L41.7Very low42.1Very low132 Ų132129.9 Ų129.969%0.69171%0.705SS**Hα-helixtrans-85-18.7-178.2-75.8165.6000114.3I229I229-L233 HydrophobicContact CG2-CD1 4.37Å
234Q44.2Very low42.2Very low168 Ų168132.4 Ų132.479%0.78571%0.71SS**Hα-helixtrans-89-18.9178.9-79.1-177.2-1.200114.5K236Q234-K236 PolarHBondContact O-N 3.41Å
235S40.1Very low42Very low99 Ų99136.5 Ų136.569%0.69273%0.725SS**THydrogen-bonded Turntrans-93.413.4-175.378.20000115.2
236K37.7Very low42Very low192 Ų192136.6 Ų136.684%0.83573%0.727SS**THydrogen-bonded Turntrans-128.914.9-177.2-115.6-178.8-177.2-179.60116.2Q234 H238Q234-K236 PolarHBondContact O-N 3.41Å; K236-H238 VanDerWaalsContact C-N 3.32Å; K236-H238 PolarHBondContact O-N 3.1Å
237Q36Very low42.4Very low172 Ų172136 Ų13680%0.80473%0.731SS**  trans-88.270165.2-76.6-178.6-25.200110.3
238H32.4Very low42.7Very low170 Ų170135.4 Ų135.479%0.78773%0.731SS**  trans-104.9111.6154.2-99.6-67.2000107.4K236 V240K236-H238 VanDerWaalsContact C-N 3.32Å; K236-H238 PolarHBondContact O-N 3.1Å; H238-V240 PolarHBondContact O-N 3.2Å
239P38.9Very low42.9Very low112 Ų112136.6 Ų136.673%0.72774%0.736SS**  trans-63.5107.3171.624.9-29.7000107.4E241P239-E241 VanDerWaalsContact C-N 3.31Å; P239-E241 PolarHBondContact O-N 2.65Å
240V37.8Very low43Very low124 Ų124141.1 Ų141.175%0.75275%0.748SS**  trans-69.998.2168.6177.50000105.3H238 T242H238-V240 PolarHBondContact O-N 3.2Å; V240-T242 PolarHBondContact O-N 2.88Å
241E41Very low43.1Very low169 Ų169142.1 Ų142.179%0.7975%0.753SS**  trans-56.4104.5166.7-69.7-169.2162.900107.4P239 S243P239-E241 VanDerWaalsContact C-N 3.31Å; P239-E241 PolarHBondContact O-N 2.65Å; E241-S243 PolarHBondContact O-N 3.26Å
242T44.7Very low43Very low126 Ų126146.3 Ų146.377%0.77377%0.765SS**  trans-69.484.4169.554.30000106.6V240 K244V240-T242 PolarHBondContact O-N 2.88Å; T242-K244 PolarHBondContact O-N 2.88Å
243S43.7Very low43.1Very low100 Ų100148.5 Ų148.570%0.69977%0.772SS**  trans-52.8108.7164-73.40000106.8E241 L245E241-S243 PolarHBondContact O-N 3.26Å; S243-L245 VanDerWaalsContact C-N 3.33Å; S243-L245 PolarHBondContact O-N 3.04Å
244K41.9Very low42.9Very low193 Ų193147.6 Ų147.684%0.83978%0.776SS**  trans-51.4102.2166.4-97.1173.3170.41760106.7T242 N246T242-K244 PolarHBondContact O-N 2.88Å; K244-N246 PolarHBondContact O-N 2.62Å
245L43.2Very low42.8Very low166 Ų166143 Ų14387%0.86976%0.763SS**  trans-63.6107.5166.4-70.3168.8000105.5S243S243-L245 VanDerWaalsContact C-N 3.33Å; S243-L245 PolarHBondContact O-N 3.04Å
246N48.3Very low42.6Very low135 Ų135141.7 Ų141.772%0.72277%0.765SS**  trans-57.7137.5170.7-74.7-28.2000108.1K244 V248K244-N246 PolarHBondContact O-N 2.62Å; N246-V248 PolarHBondContact O-N 2.78Å
247P51.8Low42.7Very low115 Ų115140.7 Ų140.775%0.74776%0.764SS**  trans-56.3125.9175.720.5-28.8000109.1E249P247-E249 PolarHBondContact O-N 3.45Å; P247-E249 VanDerWaalsContact O-N 3.09Å
248V52.2Low42.9Very low113 Ų113137 Ų13769%0.68576%0.757SS**  trans-66.3107.4173.7175.70000107N246 Y250N246-V248 PolarHBondContact O-N 2.78Å; V248-Y250 PolarHBondContact O-N 3.32Å
249E43.9Very low43.1Very low183 Ų183138.3 Ų138.386%0.85576%0.763SS**PPolyproline II helixtrans-68116.2169.6-74.8179.2178.300108.3P247P247-E249 PolarHBondContact O-N 3.45Å; P247-E249 VanDerWaalsContact O-N 3.09Å
250Y48Very low43.3Very low197 Ų197138.1 Ų138.177%0.77376%0.76SS**PPolyproline II helixtrans-74.9132.9172.9-67.6-87.9000108.5V248 E252V248-Y250 PolarHBondContact O-N 3.32Å; Y250-E252 PolarHBondContact O-N 3.41Å
251P46.8Very low43.4Very low109 Ų109140.9 Ų140.971%0.70877%0.765SS**PPolyproline II helixtrans-57.7124169.5-16.427.5000108.7I253P251-I253 PolarHBondContact O-N 3.06Å
252E43.4Very low43.6Very low191 Ų191138.6 Ų138.689%0.89376%0.757SS**  trans-61.991.7163.7-68.9-170.8179.900107.2Y250 S254Y250-E252 PolarHBondContact O-N 3.41Å; E252-S254 PolarHBondContact O-N 3.06Å
253I48.2Very low43.2Very low152 Ų152139.9 Ų139.978%0.77976%0.758SS**  trans-69.292.4167.544.9158000107P251 S255P251-I253 PolarHBondContact O-N 3.06Å; I253-S255 PolarHBondContact O-N 3.27Å
254S36.4Very low43.2Very low113 Ų113143.7 Ų143.779%0.7976%0.758SS**  trans-60.792.5161.563.40000107E252 G256E252-S254 PolarHBondContact O-N 3.06Å; S254-G256 VanDerWaalsContact C-N 3.3Å; S254-G256 PolarHBondContact O-N 3.43Å
255S41.5Very low43.2Very low71 Ų71141.6 Ų141.650%0.49776%0.756SS.*  trans-75.788.9177.5-169.10000109.1I253 E257I253-S255 PolarHBondContact O-N 3.27Å; S255-E257 VanDerWaalsContact C-N 3.29Å; S255-E257 PolarHBondContact O-N 2.98Å; S255-E257 WeakPolarHBondContact OG-CG 3.42Å; S255-E257 PolarHBondContact OG-OE1 3.39Å
256G37.1Very low43.2Very low73 Ų73139.7 Ų139.775%0.75375%0.751SS**  trans-83.880.2150.200000107.4S254 S258S254-G256 VanDerWaalsContact C-N 3.3Å; S254-G256 PolarHBondContact O-N 3.43Å; G256-S258 PolarHBondContact O-N 2.83Å
257E39.8Very low43Very low171 Ų171138.3 Ų138.380%0.79975%0.752SS**  trans-74.395.7176-95.8156.9-138.900109.2S255S255-E257 VanDerWaalsContact C-N 3.29Å; S255-E257 PolarHBondContact O-N 2.98Å; S255-E257 WeakPolarHBondContact OG-CG 3.42Å; S255-E257 PolarHBondContact OG-OE1 3.39Å
258S39.1Very low42.3Very low94 Ų94140.6 Ų140.666%0.65775%0.753SS**  trans-71120.515552.50000108.4G256 T260G256-S258 PolarHBondContact O-N 2.83Å; S258-T260 PolarHBondContact O-N 2.85Å
259E37Very low41.8Very low197 Ų197140 Ų14092%0.92175%0.751SS**  trans-51.9103.7171.3-64.5174157.400110
260T44.5Very low41.9Very low109 Ų109137.1 Ų137.167%0.66975%0.748SS**  trans-118110.9161.643.50000106.7S258 L262S258-T260 PolarHBondContact O-N 2.85Å; T260-L262 PolarHBondContact O-N 3.38Å
261E40Very low41.9Very low182 Ų182135.6 Ų135.685%0.8575%0.748SS**  trans-61.394.4174.2-66.6-179.3157.100108.8I263E261-I263 PolarHBondContact O-N 3.24Å; E261-I263 VanDerWaalsContact O-N 3.08Å
262L43.5Very low41.7Very low120 Ų120138.5 Ų138.563%0.62875%0.753SS**  trans-74.198.4165.9-114.390.9000107.8T260 Y264T260-L262 PolarHBondContact O-N 3.38Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 HydrophobicContact CB-CD2 4.17Å; L262-Y264 HydrophobicContact CB-CE2 3.97Å; L262-Y264 HydrophobicContact CD2-CD2 4.35Å; L262-Y264 HydrophobicContact CD2-CE2 3.56Å; L262-Y264 HydrophobicContact CG-CE2 4.4Å; L262-Y264 PolarHBondContact O-N 3.34Å
263I38Very low41.7Very low153 Ų153136.2 Ų136.279%0.78575%0.751SS**  trans-66.694.1166.8-59.3164.4000106.5E261 D265E261-I263 PolarHBondContact O-N 3.24Å; E261-I263 VanDerWaalsContact O-N 3.08Å; I263-D265 PolarHBondContact O-N 3.41Å
264Y43Very low41.5Very low180 Ų180135.5 Ų135.571%0.70675%0.748SS**  trans-73.8111.8165.3-84-89.2000107.4L262 V266L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 HydrophobicContact CB-CD2 4.17Å; L262-Y264 HydrophobicContact CB-CE2 3.97Å; L262-Y264 HydrophobicContact CD2-CD2 4.35Å; L262-Y264 HydrophobicContact CD2-CE2 3.56Å; L262-Y264 HydrophobicContact CG-CE2 4.4Å; L262-Y264 PolarHBondContact O-N 3.34Å; Y264-V266 VanDerWaalsContact C-N 3.35Å; Y264-V266 PolarHBondContact O-N 3.01Å
265D42.2Very low41.8Very low149 Ų149134.9 Ų134.980%0.79774%0.742SS**  trans-61.8100.1164.9-155.2-0.2000106.8I263 S267I263-D265 PolarHBondContact O-N 3.41Å; D265-S267 VanDerWaalsContact C-N 3.26Å; D265-S267 PolarHBondContact O-N 2.53Å
266V43.4Very low41.7Very low126 Ų126137.1 Ų137.176%0.76475%0.752SS**  trans-70.188.8-176.4176.90000107.2Y264 E268Y264-V266 VanDerWaalsContact C-N 3.35Å; Y264-V266 PolarHBondContact O-N 3.01Å; V266-E268 PolarHBondContact O-N 3.35Å
267S44.2Very low42Very low106 Ų106138.6 Ų138.674%0.74175%0.751SS**PPolyproline II helixtrans-61.6123.4164.3-62.20000108.1D265D265-S267 VanDerWaalsContact C-N 3.26Å; D265-S267 PolarHBondContact O-N 2.53Å
268E36.7Very low41.9Very low164 Ų164135.6 Ų135.677%0.76675%0.749SS**PPolyproline II helixtrans-50.2130.7178.7-168167.4-158.200110.6V266V266-E268 PolarHBondContact O-N 3.35Å
269P41.7Very low41.9Very low99 Ų99138.9 Ų138.964%0.64375%0.754SS**PPolyproline II helixtrans-65.8142.5-178.927.6-32.8000109.4E271P269-E271 PolarHBondContact O-N 2.85Å; P269-E271 VanDerWaalsContact O-N 3.09Å
270P45.7Very low41.9Very low123 Ų123136.9 Ų136.980%0.79975%0.749SS**PPolyproline II helixtrans-56.5121.4177.620.4-30000110.1
271E48.2Very low41.5Very low165 Ų165143.4 Ų143.477%0.77176%0.761SS**SBendtrans-55.7151.4164.8-63.7-169.3152.100108.7P269P269-E271 PolarHBondContact O-N 2.85Å; P269-E271 VanDerWaalsContact O-N 3.09Å
272E42.5Very low41.3Very low171 Ų171146.5 Ų146.580%0.79977%0.765SS**  trans88.754174.6-46-174.7178.300117.9
273V44Very low41Very low142 Ų142145.6 Ų145.686%0.86177%0.768SS**  trans-94.678145-170.60000108.3
274L42.9Very low40.9Very low137 Ų137143.6 Ų143.672%0.71777%0.768SS**  trans-62.4137.8171.2-75.8171.3000109.7V276L274-V276 PolarHBondContact O-N 2.77Å
275P43.2Very low40.4Very low101 Ų101143.9 Ų143.966%0.65678%0.776SS**  trans-64.4120.3-177.323.8-31.9000110.6S277P275-S277 PolarHBondContact O-N 3.25Å; P275-S277 PolarHBondContact O-OG 3.22Å; P275-S277 VanDerWaalsContact O-OG 3.06Å
276V39.1Very low40Very low118 Ų118144.5 Ų144.572%0.71578%0.777SS**  trans-6575.3171.4-172.60000109.3L274 Q279L274-V276 PolarHBondContact O-N 2.77Å; V276-Q279 HydrophobicContact CG1-CB 4.48Å; V276-Q279 HydrophobicContact CG1-CG 4.29Å
277S42.5Very low39.6Very low103 Ų103142.3 Ų142.372%0.7277%0.768SS**  trans-109.44.6-178.144.60000112.8P275P275-S277 PolarHBondContact O-N 3.25Å; P275-S277 PolarHBondContact O-OG 3.22Å; P275-S277 VanDerWaalsContact O-OG 3.06Å
278S38.8Very low39.1Very low108 Ų108143.5 Ų143.576%0.75577%0.773SS**SBendtrans-102.8-7.4179.357.40000115.8
279Q38.6Very low39Very low164 Ų164140 Ų14077%0.76677%0.767SS**SBendtrans-91.7-13.2-175.5-66.3-160.131.800115.8V276 R281V276-Q279 HydrophobicContact CG1-CB 4.48Å; V276-Q279 HydrophobicContact CG1-CG 4.29Å; Q279-R281 PolarHBondContact O-N 3.11Å
280L37Very low38.6Very low155 Ų155142.5 Ų142.581%0.81277%0.774SS**THydrogen-bonded Turntrans-90.35.5-174.1-105.3151.3000115.6
281R36.2Very low38Very low245 Ų245143.9 Ų143.993%0.92578%0.775SS**THydrogen-bonded Turntrans-98.37.7-176.6-92.8-155.7179.6-179.22.4117Q279Q279-R281 PolarHBondContact O-N 3.11Å
282R35.5Very low37.4Very low248 Ų248140.8 Ų140.894%0.93677%0.767SS**SBendtrans-1132.9-177.5-80.4-167.7-166.6163.75.6118
283S37.1Very low37Very low100 Ų100140.1 Ų140.170%0.69977%0.768SS**SBendtrans-127.758.4177.4650000112.4
284S37.3Very low36.4Very low112 Ų112140.3 Ų140.378%0.78376%0.763SS**  trans-146.749.9167-56.40000109.7
285Q32.5Very low36Very low186 Ų186141 Ų14187%0.86977%0.767SS**  trans-116.258.4165.5-147.8170.620.600107.3S287Q285-S287 PolarHBondContact O-N 3.07Å
286I33.8Very low35.8Very low161 Ų161141.6 Ų141.683%0.82677%0.769SS**  trans-8397.9165.7-59.7170.9000104.8
287S33.2Very low35.3Very low81 Ų81138.6 Ų138.657%0.56676%0.762SS**  trans-52.6132.2173.2-56.90000109.7Q285 S289Q285-S287 PolarHBondContact O-N 3.07Å; S287-S289 PolarHBondContact O-N 3.05Å
288P34.6Very low34.8Very low131 Ų131140.7 Ų140.785%0.85177%0.765SS**SBendtrans-75.827.3-171.229.8-34.4000114.6
289S35.4Very low34.3Very low91 Ų91142.7 Ų142.764%0.63677%0.767SS**  trans-111.968.1-17661.60000111.2S287S287-S289 PolarHBondContact O-N 3.05Å
290L33.2Very low34Very low151 Ų151143.3 Ų143.379%0.79177%0.772SS**  trans-167.249.1153.3-125.895.4000110.8V292L290-V292 HydrophobicContact CD2-CG2 3.82Å; L290-V292 HydrophobicContact CG-CG2 3.96Å; L290-V292 PolarHBondContact O-N 3.01Å
291N33.1Very low33.7Very low152 Ų152141.9 Ų141.981%0.81377%0.765SS**  trans-71.884.2157.9-78.4-31.1000106.9L293N291-L293 PolarHBondContact O-N 3.3Å
292V34.5Very low33.5Very low100 Ų100135.7 Ų135.761%0.60675%0.751SS**  trans-70.182168.1-175.60000106.5L290 L294L290-V292 HydrophobicContact CD2-CG2 3.82Å; L290-V292 HydrophobicContact CG-CG2 3.96Å; L290-V292 PolarHBondContact O-N 3.01Å; V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 HydrophobicContact CG1-CD2 4.5Å; V292-L294 HydrophobicContact CG1-CG 4.2Å; V292-L294 PolarHBondContact O-N 3.42Å
293L33.7Very low33.3Very low157 Ų157130.2 Ų130.282%0.82274%0.74SS**  trans-65.194.5162.8-93.7156.5000106.7N291 N295N291-L293 PolarHBondContact O-N 3.3Å; L293-N295 PolarHBondContact O-N 3.48Å
294L33.1Very low33.2Very low146 Ų146132.2 Ų132.276%0.76474%0.743SS**  trans-66.485.3164.3-77.5166000107.6V292 V296V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 HydrophobicContact CG1-CD2 4.5Å; V292-L294 HydrophobicContact CG1-CG 4.2Å; V292-L294 PolarHBondContact O-N 3.42Å; L294-V296 HydrophobicContact CB-CG2 4.49Å; L294-V296 PolarHBondContact O-N 3.2Å
295N33.9Very low32.9Very low150 Ų150134.3 Ų134.380%0.80274%0.744SS**  trans-71.280.7167.3-167.622.1000107.5L293 G297L293-N295 PolarHBondContact O-N 3.48Å; N295-G297 PolarHBondContact O-N 2.9Å
296V38Very low33Very low115 Ų115133.1 Ų133.170%0.69774%0.736SS**  trans-73.983.4168.6-175.60000106.1L294 N298L294-V296 HydrophobicContact CB-CG2 4.49Å; L294-V296 PolarHBondContact O-N 3.2Å; V296-N298 PolarHBondContact O-N 3.04Å
297G29.9Very low33Very low54 Ų54134.6 Ų134.656%0.55773%0.732SS**  trans-59.5102.4167.600000108.3N295 N299N295-G297 PolarHBondContact O-N 2.9Å; G297-N299 PolarHBondContact O-N 2.89Å
298N32Very low32.9Very low148 Ų148137 Ų13779%0.79174%0.739SS**  trans-69.482.2163.4-109.33.4000107.6V296 M300V296-N298 PolarHBondContact O-N 3.04Å; N298-M300 PolarHBondContact O-N 3.27Å; N298-M300 VanDerWaalsContact O-N 3.15Å
299N28.3Very low32.7Very low149 Ų149139.2 Ų139.280%0.79774%0.735SS**  trans-83.569.9172-153.63.8000107.5G297G297-N299 PolarHBondContact O-N 2.89Å
300M32.6Very low32.8Very low178 Ų178143.9 Ų143.988%0.87774%0.744SS**  trans-115.167.3169.6-70.5-85-112.500107N298N298-M300 PolarHBondContact O-N 3.27Å; N298-M300 VanDerWaalsContact O-N 3.15Å
301N30.4Very low33Very low124 Ų124149.8 Ų149.866%0.66376%0.764SS**  trans-82.5140.1163.1-161.414.1000107.7
302N32.3Very low33Very low116 Ų116149.7 Ų149.762%0.6276%0.761SS**SBendtrans90.9100166.7-52.6-32.8000118.4
303N30.5Very low32.9Very low132 Ų132152.3 Ų152.371%0.70677%0.77SS**  57.185.4121-58.9-18.6000118.4
304D34.7Very low32.9Very low142 Ų142152 Ų15276%0.75977%0.767SS**  trans-121.385.4145.1-85.7-39.2000109.2F306D304-F306 VanDerWaalsContact C-N 3.31Å; D304-F306 HydrophobicContact CB-CD2 4.12Å; D304-F306 PolarHBondContact O-N 2.85Å; D304-F306 VanDerWaalsContact O-N 3.14Å
305I31.6Very low32.9Very low156 Ų156152.4 Ų152.480%0.877%0.767SS**  trans-70.291.9159.3-62.1168.5000105.5
306F34.5Very low32.8Very low161 Ų161152.5 Ų152.571%0.70677%0.765SS**  trans-103101.2172-104.8-98.5000110.6D304D304-F306 VanDerWaalsContact C-N 3.31Å; D304-F306 HydrophobicContact CB-CD2 4.12Å; D304-F306 PolarHBondContact O-N 2.85Å; D304-F306 VanDerWaalsContact O-N 3.14Å
307Y33.1Very low32.5Very low193 Ų193155 Ų15576%0.75777%0.769SS**  trans48.6104.4147-62.7-86000121
308D31.7Very low32.6Very low130 Ų130162.2 Ų162.270%0.69578%0.784SS**  trans-8.9135.3131.8-108.7-29.7000117.8
309K29.6Very low32.7Very low178 Ų178163.3 Ų163.377%0.77478%0.784SS**  trans55.8100.6144.7-69175-176.71750118.5
310F37.5Very low33.1Very low190 Ų190164.5 Ų164.583%0.83378%0.783SS**  trans-126.1113.2144.4-85.3-90.1000109.2
311F38.4Very low33.1Very low274 Ų274163.3 Ų163.3100%1.20277%0.774SS**  trans45.70157.3-71.3-88.6000120.8

Retrieved 311 of 311 residues in 197.7 ms (Link to these results)