A0A5K4FBA6_SCHMA Loading...

Neural proliferation differentiation and control protein

AlphaFold DB , UniProt , Accession A0A5K4FBA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M58.9Low78Confident147 Ų147111.7 Ų111.772%0.72455%0.551SS**  0-440-115.4-179.9-179.800113.3S3 F4 V5M1-S3 PolarHBondContact O-N 2.8Å; M1-F4 PolarHBondContact O-N 3.43Å; M1-V5 PolarHBondContact O-N 3.15Å
2F64Low78.6Confident174 Ų174108.1 Ų108.176%0.76354%0.535SS*.Hα-helixtrans-60.7-38.1-177-80.1-82.5000115.4F4 V5 K6F2-F4 VanDerWaalsContact C-N 3.34Å; F2-F4 PolarHBondContact O-N 3.22Å; F2-V5 PolarHBondContact O-N 2.65Å; F2-K6 WeakPolarHBondContact O-CG 3.48Å; F2-K6 PolarHBondContact O-N 3.38Å
3S77.6Confident79.1Confident102 Ų102109.7 Ų109.771%0.71354%0.538SS*.Hα-helixtrans-66.2-35.4-179.2-48.50000112.9M1 K6 Y7M1-S3 PolarHBondContact O-N 2.8Å; S3-K6 PolarHBondContact O-N 2.7Å; S3-Y7 WeakPolarHBondContact O-CB 3.32Å; S3-Y7 PolarHBondContact O-N 2.85Å
4F75.4Confident79.6Confident109 Ų109107.6 Ų107.648%0.47853%0.528SS..Hα-helixtrans-71.3-40.5179.2-165.9-105.6000111.9M1 F2 Y7 I8M1-F4 PolarHBondContact O-N 3.43Å; F2-F4 VanDerWaalsContact C-N 3.34Å; F2-F4 PolarHBondContact O-N 3.22Å; F4-Y7 PolarHBondContact O-N 3.28Å; F4-I8 HydrophobicContact CD1-CD1 3.51Å; F4-I8 HydrophobicContact CD1-CG1 4.43Å; F4-I8 HydrophobicContact CE1-CD1 3.33Å; F4-I8 HydrophobicContact CE1-CG1 4.28Å; F4-I8 HydrophobicContact CG-CD1 4.41Å; F4-I8 HydrophobicContact CZ-CD1 4.08Å; F4-I8 WeakPolarHBondContact O-CG1 3.16Å; F4-I8 PolarHBondContact O-N 3.36Å
5V77.3Confident79.6Confident84 Ų84106 Ų10651%0.50952%0.522SS..Hα-helixtrans-64.3-42.9175.2178.60000110.6M1 F2 Y7 I8 T9M1-V5 PolarHBondContact O-N 3.15Å; F2-V5 PolarHBondContact O-N 2.65Å; V5-Y7 PolarHBondContact O-N 2.96Å; V5-I8 PolarHBondContact O-N 3.4Å; V5-T9 HydrophobicContact CG1-CG2 4.47Å; V5-T9 WeakPolarHBondContact O-CG2 3.4Å; V5-T9 PolarHBondContact O-N 3.31Å; V5-T9 PolarHBondContact O-OG1 3.23Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å
6K82.4Confident79.7Confident142 Ų142105.5 Ų105.562%0.61752%0.521SS*.Hα-helixtrans-60-45.4175.1-75.3178.3177.3176.50111.8F2 S3 T9 F10F2-K6 WeakPolarHBondContact O-CG 3.48Å; F2-K6 PolarHBondContact O-N 3.38Å; S3-K6 PolarHBondContact O-N 2.7Å; K6-T9 WeakPolarHBondContact CA-OG1 3.38Å; K6-T9 PolarHBondContact O-N 3.32Å; K6-T9 PolarHBondContact O-OG1 3.43Å; K6-F10 VanDerWaalsContact O-CB 3.3Å; K6-F10 WeakPolarHBondContact O-CB 3.44Å; K6-F10 PolarHBondContact O-N 3.03Å
7Y83Confident79.7Confident158 Ų158103.1 Ų103.162%0.6251%0.51SS*.Hα-helixtrans-59.2-48.9176.7-172.4-95.9000111.4S3 F4 V5 T9 F10 T11S3-Y7 WeakPolarHBondContact O-CB 3.32Å; S3-Y7 PolarHBondContact O-N 2.85Å; F4-Y7 PolarHBondContact O-N 3.28Å; V5-Y7 PolarHBondContact O-N 2.96Å; Y7-T9 PolarHBondContact O-N 2.92Å; Y7-F10 PolarHBondContact O-N 3.45Å; Y7-T11 PolarHBondContact O-N 3.19Å; Y7-T11 PolarHBondContact O-OG1 2.69Å
8I83.7Confident79.6Confident58 Ų58104.4 Ų104.430%0.29751%0.51SS..Hα-helixtrans-59.6-46.6177.1-69.1164.6000111.4F4 V5 F10 T11 L12F4-I8 HydrophobicContact CD1-CD1 3.51Å; F4-I8 HydrophobicContact CD1-CG1 4.43Å; F4-I8 HydrophobicContact CE1-CD1 3.33Å; F4-I8 HydrophobicContact CE1-CG1 4.28Å; F4-I8 HydrophobicContact CG-CD1 4.41Å; F4-I8 HydrophobicContact CZ-CD1 4.08Å; F4-I8 WeakPolarHBondContact O-CG1 3.16Å; F4-I8 PolarHBondContact O-N 3.36Å; V5-I8 PolarHBondContact O-N 3.4Å; I8-F10 VanDerWaalsContact C-N 3.28Å; I8-F10 PolarHBondContact O-N 2.92Å; I8-T11 PolarHBondContact O-N 3.16Å; I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 HydrophobicContact CG2-CG 4.35Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.45Å
9T83.6Confident79.2Confident79 Ų79103.8 Ų103.849%0.48551%0.509SS..Hα-helixtrans-63.2-36.817952.20000112.1V5 K6 Y7 F13V5-T9 HydrophobicContact CG1-CG2 4.47Å; V5-T9 WeakPolarHBondContact O-CG2 3.4Å; V5-T9 PolarHBondContact O-N 3.31Å; V5-T9 PolarHBondContact O-OG1 3.23Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å; K6-T9 WeakPolarHBondContact CA-OG1 3.38Å; K6-T9 PolarHBondContact O-N 3.32Å; K6-T9 PolarHBondContact O-OG1 3.43Å; Y7-T9 PolarHBondContact O-N 2.92Å; T9-F13 VanDerWaalsContact O-CB 3.26Å; T9-F13 WeakPolarHBondContact O-CB 3.48Å; T9-F13 PolarHBondContact O-N 2.93Å
10F86.5Confident78.6Confident126 Ų126104.1 Ų104.155%0.55351%0.512SS*.Hα-helixtrans-68.9-44.8177.4-176.3-107.2000111.4K6 Y7 I8 L12 F13 I14K6-F10 VanDerWaalsContact O-CB 3.3Å; K6-F10 WeakPolarHBondContact O-CB 3.44Å; K6-F10 PolarHBondContact O-N 3.03Å; Y7-F10 PolarHBondContact O-N 3.45Å; I8-F10 VanDerWaalsContact C-N 3.28Å; I8-F10 PolarHBondContact O-N 2.92Å; F10-L12 PolarHBondContact O-N 2.75Å; F10-F13 PolarHBondContact O-N 2.87Å; F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CE1-CD1 3.21Å; F10-I14 HydrophobicContact CE1-CG1 4.3Å; F10-I14 HydrophobicContact CE2-CD1 4.28Å; F10-I14 HydrophobicContact CG-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CD1 3.59Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 3.42Å
11T85.9Confident77.8Confident50 Ų50102.8 Ų102.831%0.30751%0.51SS..Hα-helixtrans-62.3-44175.6-51.20000111.4Y7 I8 F13 I14 I15Y7-T11 PolarHBondContact O-N 3.19Å; Y7-T11 PolarHBondContact O-OG1 2.69Å; I8-T11 PolarHBondContact O-N 3.16Å; T11-F13 PolarHBondContact O-N 3.23Å; T11-I14 PolarHBondContact O-N 3.03Å; T11-I15 HydrophobicContact CG2-CD1 3.92Å; T11-I15 VanDerWaalsContact O-CG1 3.25Å; T11-I15 WeakPolarHBondContact O-CG1 3.42Å; T11-I15 PolarHBondContact O-N 3.09Å
12L84.8Confident77.8Confident68 Ų68101.8 Ų101.836%0.35650%0.499SS..Hα-helixtrans-62.9-41.8174.8-72.5176.4000111.6I8 F10 I14 I15 I16I8-L12 HydrophobicContact CG2-CD1 3.95Å; I8-L12 HydrophobicContact CG2-CG 4.35Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 WeakPolarHBondContact O-CG 3.48Å; I8-L12 PolarHBondContact O-N 3.45Å; F10-L12 PolarHBondContact O-N 2.75Å; L12-I14 PolarHBondContact O-N 3.39Å; L12-I15 PolarHBondContact O-N 2.91Å; L12-I16 WeakPolarHBondContact O-CB 3.23Å; L12-I16 WeakPolarHBondContact O-CD1 3.47Å; L12-I16 WeakPolarHBondContact O-CG1 3.07Å; L12-I16 PolarHBondContact O-N 2.65Å
13F85.3Confident77.4Confident129 Ų12995 Ų9557%0.56648%0.479SS*.Hα-helixtrans-62.1-42.5176.1-174.1-101.4000111.6T9 F10 T11 I16 N17T9-F13 VanDerWaalsContact O-CB 3.26Å; T9-F13 WeakPolarHBondContact O-CB 3.48Å; T9-F13 PolarHBondContact O-N 2.93Å; F10-F13 PolarHBondContact O-N 2.87Å; T11-F13 PolarHBondContact O-N 3.23Å; F13-I16 PolarHBondContact O-N 3.48Å; F13-N17 VanDerWaalsContact CD1-ND2 3.3Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.28Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.3Å; F13-N17 VanDerWaalsContact CE2-ND2 3.33Å; F13-N17 WeakPolarHBondContact CE2-ND2 3.25Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.41Å; F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 PolarHBondContact O-N 3.06Å; F13-N17 PolarHBondContact O-ND2 3.2Å
14I85.5Confident76.1Confident80 Ų8099.2 Ų99.241%0.4148%0.479SS..Hα-helixtrans-62.5-47.7174.6-70.9169.3000110.6F10 T11 L12 I16 N17 Y18F10-I14 HydrophobicContact CD1-CD1 3.62Å; F10-I14 HydrophobicContact CE1-CD1 3.21Å; F10-I14 HydrophobicContact CE1-CG1 4.3Å; F10-I14 HydrophobicContact CE2-CD1 4.28Å; F10-I14 HydrophobicContact CG-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CD1 3.59Å; F10-I14 HydrophobicContact CZ-CG1 4.35Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 3.42Å; T11-I14 PolarHBondContact O-N 3.03Å; L12-I14 PolarHBondContact O-N 3.39Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.4Å; I14-N17 PolarHBondContact O-N 3.17Å; I14-Y18 WeakPolarHBondContact O-CB 3.36Å; I14-Y18 PolarHBondContact O-N 3.43Å
15I80.7Confident74.9Confident84 Ų8497.7 Ų97.743%0.43148%0.475SS..Hα-helixtrans-63.3-40.3-179.1-68.5166.2000111.2T11 L12 Y18 N19T11-I15 HydrophobicContact CG2-CD1 3.92Å; T11-I15 VanDerWaalsContact O-CG1 3.25Å; T11-I15 WeakPolarHBondContact O-CG1 3.42Å; T11-I15 PolarHBondContact O-N 3.09Å; L12-I15 PolarHBondContact O-N 2.91Å; I15-Y18 PolarHBondContact O-N 3.02Å; I15-N19 WeakPolarHBondContact O-CB 3.05Å; I15-N19 PolarHBondContact O-N 2.79Å; I15-N19 PolarHBondContact O-ND2 3.28Å
16I80.8Confident73.4Confident98 Ų9895.7 Ų95.750%0.50347%0.471SS..Hα-helixtrans-66.6-46.8176.8-68.9164.2000110.1L12 F13 I14 Y18 N19 L20L12-I16 WeakPolarHBondContact O-CB 3.23Å; L12-I16 WeakPolarHBondContact O-CD1 3.47Å; L12-I16 WeakPolarHBondContact O-CG1 3.07Å; L12-I16 PolarHBondContact O-N 2.65Å; F13-I16 PolarHBondContact O-N 3.48Å; I14-I16 VanDerWaalsContact C-N 3.33Å; I14-I16 PolarHBondContact O-N 3.4Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 2.88Å; I16-N19 PolarHBondContact O-N 3.03Å; I16-L20 HydrophobicContact CG2-CD1 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 PolarHBondContact O-N 3Å
17N79Confident71.6Confident64 Ų6495.6 Ų95.634%0.34247%0.468SS..Hα-helixtrans-65.2-37.3177.4-81.6-76.7000111.9F13 I14 L20 T21F13-N17 VanDerWaalsContact CD1-ND2 3.3Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.28Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.3Å; F13-N17 VanDerWaalsContact CE2-ND2 3.33Å; F13-N17 WeakPolarHBondContact CE2-ND2 3.25Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.41Å; F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 PolarHBondContact O-N 3.06Å; F13-N17 PolarHBondContact O-ND2 3.2Å; I14-N17 PolarHBondContact O-N 3.17Å; N17-L20 PolarHBondContact O-N 2.82Å; N17-T21 WeakPolarHBondContact O-CB 3.41Å; N17-T21 PolarHBondContact O-N 3.4Å; N17-T21 PolarHBondContact O-OG1 3.34Å
18Y78.9Confident69.7Low128 Ų12894.3 Ų94.350%0.50247%0.465SS..Hα-helixtrans-64.3-49.2174.3-164.4-86.1000109.7I14 I15 I16 L20 T21 Y22I14-Y18 WeakPolarHBondContact O-CB 3.36Å; I14-Y18 PolarHBondContact O-N 3.43Å; I15-Y18 PolarHBondContact O-N 3.02Å; I16-Y18 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 2.88Å; Y18-L20 PolarHBondContact O-N 3.07Å; Y18-T21 PolarHBondContact O-N 3.13Å; Y18-Y22 AromaticContact CD1-CD2 3.56Å; Y18-Y22 HydrophobicContact CD1-CD2 3.56Å; Y18-Y22 HydrophobicContact CD1-CE2 4.04Å; Y18-Y22 HydrophobicContact CD1-CG 4.14Å; Y18-Y22 AromaticContact CD2-CD2 3.61Å; Y18-Y22 HydrophobicContact CD2-CD2 3.61Å; Y18-Y22 AromaticContact CD2-CE2 3.25Å; Y18-Y22 HydrophobicContact CD2-CE2 3.25Å; Y18-Y22 HydrophobicContact CE1-CD1 4.36Å; Y18-Y22 AromaticContact CE1-CD2 3.53Å; Y18-Y22 HydrophobicContact CE1-CD2 3.53Å; Y18-Y22 AromaticContact CE1-CE2 3.82Å; Y18-Y22 HydrophobicContact CE1-CE2 3.82Å; Y18-Y22 AromaticContact CE1-CG 3.83Å; Y18-Y22 HydrophobicContact CE1-CG 3.83Å; Y18-Y22 AromaticContact CE2-CD2 3.61Å; Y18-Y22 HydrophobicContact CE2-CD2 3.61Å; Y18-Y22 HydrophobicContact CE2-CE1 4.35Å; Y18-Y22 AromaticContact CE2-CE2 3Å; Y18-Y22 HydrophobicContact CE2-CE2 3Å; Y18-Y22 HydrophobicContact CE2-CG 4.5Å; Y18-Y22 AromaticContact CE2-CZ 3.42Å; Y18-Y22 VanDerWaalsContact CE2-CZ 3.42Å; Y18-Y22 AromaticContact CG-CD2 3.58Å; Y18-Y22 HydrophobicContact CG-CD2 3.58Å; Y18-Y22 AromaticContact CG-CE2 3.76Å; Y18-Y22 HydrophobicContact CG-CE2 3.76Å; Y18-Y22 AromaticContact CZ-CD2 3.54Å; Y18-Y22 AromaticContact CZ-CE1 3.98Å; Y18-Y22 AromaticContact CZ-CE2 3.29Å; Y18-Y22 AromaticContact CZ-CZ 3.5Å; Y18-Y22 VanDerWaalsContact CZ-CZ 3.5Å; Y18-Y22 VanDerWaalsContact O-CB 3.31Å; Y18-Y22 WeakPolarHBondContact O-CB 3.29Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.48Å; Y18-Y22 PolarHBondContact O-N 2.65Å
19N71.8Confident67.8Low93 Ų9394.9 Ų94.950%0.49747%0.469SS..Hα-helixtrans-64.9-35175.9-83-76.2000113.5I15 I16 G23I15-N19 WeakPolarHBondContact O-CB 3.05Å; I15-N19 PolarHBondContact O-N 2.79Å; I15-N19 PolarHBondContact O-ND2 3.28Å; I16-N19 PolarHBondContact O-N 3.03Å; N19-G23 WeakPolarHBondContact O-CA 3.34Å; N19-G23 PolarHBondContact O-N 3.29Å
20L67.2Low65.8Low108 Ų10897.1 Ų97.157%0.56547%0.474SS*.Hα-helixtrans-69-41.9174.6-11271.2000111.5I16 N17 Y18 R24I16-L20 HydrophobicContact CG2-CD1 4.28Å; I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 PolarHBondContact O-N 3Å; N17-L20 PolarHBondContact O-N 2.82Å; Y18-L20 PolarHBondContact O-N 3.07Å; L20-R24 WeakPolarHBondContact O-CB 3.22Å; L20-R24 PolarHBondContact O-N 2.83Å
21T61.4Low63.6Low77 Ų7799.1 Ų99.147%0.47248%0.483SS..Hα-helixtrans-73-50.5-177.6-55.30000110.5N17 Y18 I25N17-T21 WeakPolarHBondContact O-CB 3.41Å; N17-T21 PolarHBondContact O-N 3.4Å; N17-T21 PolarHBondContact O-OG1 3.34Å; Y18-T21 PolarHBondContact O-N 3.13Å; T21-I25 VanDerWaalsContact O-CB 3.31Å; T21-I25 WeakPolarHBondContact O-CB 3.49Å; T21-I25 PolarHBondContact O-N 3.43Å
22Y58.3Low61.5Low127 Ų127102.1 Ų102.150%0.49849%0.492SS..Hα-helixtrans-76.9-31.6179.7-71.1-93.1000112.4Y18 I25 G26Y18-Y22 AromaticContact CD1-CD2 3.56Å; Y18-Y22 HydrophobicContact CD1-CD2 3.56Å; Y18-Y22 HydrophobicContact CD1-CE2 4.04Å; Y18-Y22 HydrophobicContact CD1-CG 4.14Å; Y18-Y22 AromaticContact CD2-CD2 3.61Å; Y18-Y22 HydrophobicContact CD2-CD2 3.61Å; Y18-Y22 AromaticContact CD2-CE2 3.25Å; Y18-Y22 HydrophobicContact CD2-CE2 3.25Å; Y18-Y22 HydrophobicContact CE1-CD1 4.36Å; Y18-Y22 AromaticContact CE1-CD2 3.53Å; Y18-Y22 HydrophobicContact CE1-CD2 3.53Å; Y18-Y22 AromaticContact CE1-CE2 3.82Å; Y18-Y22 HydrophobicContact CE1-CE2 3.82Å; Y18-Y22 AromaticContact CE1-CG 3.83Å; Y18-Y22 HydrophobicContact CE1-CG 3.83Å; Y18-Y22 AromaticContact CE2-CD2 3.61Å; Y18-Y22 HydrophobicContact CE2-CD2 3.61Å; Y18-Y22 HydrophobicContact CE2-CE1 4.35Å; Y18-Y22 AromaticContact CE2-CE2 3Å; Y18-Y22 HydrophobicContact CE2-CE2 3Å; Y18-Y22 HydrophobicContact CE2-CG 4.5Å; Y18-Y22 AromaticContact CE2-CZ 3.42Å; Y18-Y22 VanDerWaalsContact CE2-CZ 3.42Å; Y18-Y22 AromaticContact CG-CD2 3.58Å; Y18-Y22 HydrophobicContact CG-CD2 3.58Å; Y18-Y22 AromaticContact CG-CE2 3.76Å; Y18-Y22 HydrophobicContact CG-CE2 3.76Å; Y18-Y22 AromaticContact CZ-CD2 3.54Å; Y18-Y22 AromaticContact CZ-CE1 3.98Å; Y18-Y22 AromaticContact CZ-CE2 3.29Å; Y18-Y22 AromaticContact CZ-CZ 3.5Å; Y18-Y22 VanDerWaalsContact CZ-CZ 3.5Å; Y18-Y22 VanDerWaalsContact O-CB 3.31Å; Y18-Y22 WeakPolarHBondContact O-CB 3.29Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.48Å; Y18-Y22 PolarHBondContact O-N 2.65Å; Y22-I25 PolarHBondContact O-N 3.48Å; Y22-G26 PolarHBondContact O-N 3.09Å
23G55.5Low59.2Low32 Ų32108.2 Ų108.233%0.3351%0.51SS..Hα-helixtrans-65.6-46.6170.300000111.6N19 I25 G26 Y27N19-G23 WeakPolarHBondContact O-CA 3.34Å; N19-G23 PolarHBondContact O-N 3.29Å; G23-I25 PolarHBondContact O-N 2.84Å; G23-G26 PolarHBondContact O-N 3.44Å; G23-Y27 WeakPolarHBondContact O-CD2 3.4Å; G23-Y27 PolarHBondContact O-N 3.22Å
24R50.6Low57Low189 Ų189110 Ų11071%0.71352%0.518SS*.Hα-helixtrans-65-37.2171.9-92.6-177.2141162.2-4.8112.4L20 G26 Y27 F28L20-R24 WeakPolarHBondContact O-CB 3.22Å; L20-R24 PolarHBondContact O-N 2.83Å; R24-G26 VanDerWaalsContact C-N 3.26Å; R24-G26 PolarHBondContact O-N 2.88Å; R24-Y27 PolarHBondContact O-N 3.49Å; R24-F28 VanDerWaalsContact O-CB 3.31Å; R24-F28 WeakPolarHBondContact O-CB 3.31Å; R24-F28 PolarHBondContact O-N 2.72Å
25I49.9Very low54.9Low78 Ų78112.5 Ų112.540%0.453%0.532SS..Hα-helixtrans-65.1-31176.3-110.170.4000111.4T21 Y22 G23 N29T21-I25 VanDerWaalsContact O-CB 3.31Å; T21-I25 WeakPolarHBondContact O-CB 3.49Å; T21-I25 PolarHBondContact O-N 3.43Å; Y22-I25 PolarHBondContact O-N 3.48Å; G23-I25 PolarHBondContact O-N 2.84Å; I25-N29 WeakPolarHBondContact O-CA 3.32Å; I25-N29 WeakPolarHBondContact O-CB 3.5Å; I25-N29 PolarHBondContact O-N 3.01Å; I25-N29 PolarHBondContact O-ND2 3.06Å
26G46.7Very low53Low41 Ų41113.3 Ų113.342%0.42354%0.541SS..Hα-helixtrans-67.1-35171.900000114Y22 G23 R24 Q30Y22-G26 PolarHBondContact O-N 3.09Å; G23-G26 PolarHBondContact O-N 3.44Å; R24-G26 VanDerWaalsContact C-N 3.26Å; R24-G26 PolarHBondContact O-N 2.88Å; G26-Q30 WeakPolarHBondContact O-CG 3.37Å
27Y44.1Very low50.8Low141 Ų141111.8 Ų111.855%0.55355%0.55SS*.Hα-helixtrans-84.2-30.7176.4-71.9-74.4000113.2G23 R24 W135G23-Y27 WeakPolarHBondContact O-CD2 3.4Å; G23-Y27 PolarHBondContact O-N 3.22Å; R24-Y27 PolarHBondContact O-N 3.49Å; Y27-W135 HydrophobicContact CE1-CE3 4.22Å
28F43.7Very low48.7Very low130 Ų130116.2 Ų116.257%0.5757%0.572SS**Hα-helixtrans-84.9-26.4178.8-133.9-94.1000112.5R24 F31 K32R24-F28 VanDerWaalsContact O-CB 3.31Å; R24-F28 WeakPolarHBondContact O-CB 3.31Å; R24-F28 PolarHBondContact O-N 2.72Å; F28-F31 PolarHBondContact O-N 3.47Å; F28-K32 HydrophobicContact CD1-CD 4.5Å; F28-K32 WeakPolarHBondContact O-CB 3.29Å; F28-K32 PolarHBondContact O-N 3.16Å
29N44.1Very low46.8Very low70 Ų70117.9 Ų117.937%0.37459%0.589SS.*Hα-helixtrans-82.6-13.3177-68.2-14000113.6I25 R33I25-N29 WeakPolarHBondContact O-CA 3.32Å; I25-N29 WeakPolarHBondContact O-CB 3.5Å; I25-N29 PolarHBondContact O-N 3.01Å; I25-N29 PolarHBondContact O-ND2 3.06Å; N29-R33 WeakPolarHBondContact O-CB 3.45Å; N29-R33 WeakPolarHBondContact O-CG 3.37Å; N29-R33 PolarHBondContact O-N 2.78Å
30Q41.1Very low45.3Very low126 Ų126118.8 Ų118.859%0.58960%0.603SS**Hα-helixtrans-77.2-27.5165.1-68.5-710.300111.5G26 F34G26-Q30 WeakPolarHBondContact O-CG 3.37Å; Q30-F34 WeakPolarHBondContact O-CD2 3.39Å
31F40.8Very low44.2Very low169 Ų169122.1 Ų122.174%0.74162%0.616SS**Hα-helixtrans-84.7-30.1172.7-99-89000113.1F28F28-F31 PolarHBondContact O-N 3.47Å
32K41Very low43Very low113 Ų113122 Ų12249%0.49163%0.63SS.*Hα-helixtrans-85.3-21173.3-99.6-177.1173.9-179.70115F28 F34 D35 T36F28-K32 HydrophobicContact CD1-CD 4.5Å; F28-K32 WeakPolarHBondContact O-CB 3.29Å; F28-K32 PolarHBondContact O-N 3.16Å; K32-F34 PolarHBondContact O-N 3.47Å; K32-D35 PolarHBondContact O-N 2.79Å; K32-D35 VanDerWaalsContact O-N 3.12Å; K32-T36 PolarHBondContact O-N 2.95Å; K32-T36 VanDerWaalsContact O-N 3.08Å; K32-T36 PolarHBondContact O-OG1 3.25Å; K32-T36 VanDerWaalsContact O-OG1 3.05Å
33R36.4Very low42.3Very low195 Ų195122.6 Ų122.674%0.73664%0.641SS**THydrogen-bonded Turntrans-69.2-11.9172.8-88.4-177.9172.8-156.1-2.1114.1N29N29-R33 WeakPolarHBondContact O-CB 3.45Å; N29-R33 WeakPolarHBondContact O-CG 3.37Å; N29-R33 PolarHBondContact O-N 2.78Å
34F39.8Very low41.8Very low168 Ų168124.2 Ų124.274%0.73765%0.645SS**THydrogen-bonded Turntrans-84.5-18.7169.5-85.3-79.5000113.7Q30 K32Q30-F34 WeakPolarHBondContact O-CD2 3.39Å; K32-F34 PolarHBondContact O-N 3.47Å
35D41Very low41.5Very low131 Ų131123.8 Ų123.870%0.70165%0.653SS**THydrogen-bonded Turntrans-114.3-12.9-174.2-70.6-29.3000114.8K32K32-D35 PolarHBondContact O-N 2.79Å; K32-D35 VanDerWaalsContact O-N 3.12Å
36T41.7Very low41.6Very low101 Ų101130.2 Ų130.262%0.6267%0.673SS**SBendtrans-12713.4-17665.50000115.3K32K32-T36 PolarHBondContact O-N 2.95Å; K32-T36 VanDerWaalsContact O-N 3.08Å; K32-T36 PolarHBondContact O-OG1 3.25Å; K32-T36 VanDerWaalsContact O-OG1 3.05Å
37G32.8Very low41.4Very low67 Ų67133.9 Ų133.969%0.69168%0.682SS**SBendtrans-97.24172.200000114.6
38L36.7Very low41.7Very low156 Ų156135.5 Ų135.582%0.81770%0.695SS**SBendtrans-102.815-171.5-107.4165.7000114
39L38.2Very low41.7Very low164 Ų164138.4 Ų138.486%0.85971%0.707SS**SBendtrans-136.66.8-168.3-97.4167.5000117.8
40S39.2Very low41.6Very low111 Ų111146 Ų14678%0.77673%0.731SS**SBendtrans-145-5.8178.779.30000119.5
41E44.1Very low41.6Very low179 Ų179148.9 Ų148.984%0.83674%0.744SS**SBendtrans-129.3106-179.5-59.7-143.8176.500111.8
42G36.4Very low41.7Very low75 Ų75148 Ų14877%0.77374%0.742SS**  trans4190155.300000117.1
43L44.2Very low41.7Very low139 Ų139151.4 Ų151.473%0.72876%0.757SS**  trans-57.7133.7163.9-96108.3000110.1M45 L47L43-M45 PolarHBondContact O-N 3.25Å; L43-L47 HydrophobicContact CD2-CB 3.9Å; L43-L47 HydrophobicContact CD2-CD1 3.83Å; L43-L47 HydrophobicContact CD2-CG 4.42Å
44P44.5Very low41.9Very low65 Ų65151.4 Ų151.442%0.42277%0.766SS.*  trans-59.5135.1173.222.8-31000110.7W46 L47P44-W46 HydrophobicContact CB-CD2 4.33Å; P44-W46 HydrophobicContact CB-CZ2 4.25Å; P44-W46 HydrophobicContact CG-CZ2 4.13Å; P44-W46 PolarHBondContact O-N 3.46Å; P44-L47 PolarHBondContact O-N 3.03Å
45M44.5Very low42.6Very low180 Ų180148.3 Ų148.389%0.88776%0.76SS**THydrogen-bonded Turntrans-49-5.5-173.7-156.2-173.9-55.100116.9L43L43-M45 PolarHBondContact O-N 3.25Å
46W51.8Low43.1Very low214 Ų214148 Ų14881%0.81177%0.765SS**THydrogen-bonded Turntrans-91.1-2.2178.560.141.3000114.5P44P44-W46 HydrophobicContact CB-CD2 4.33Å; P44-W46 HydrophobicContact CB-CZ2 4.25Å; P44-W46 HydrophobicContact CG-CZ2 4.13Å; P44-W46 PolarHBondContact O-N 3.46Å
47L43.6Very low43.5Very low117 Ų117152.6 Ų152.661%0.61377%0.773SS**SBendtrans-106.63.8-176.4-102.4160.9000114.1L43 P44 K49L43-L47 HydrophobicContact CD2-CB 3.9Å; L43-L47 HydrophobicContact CD2-CD1 3.83Å; L43-L47 HydrophobicContact CD2-CG 4.42Å; P44-L47 PolarHBondContact O-N 3.03Å; L47-K49 PolarHBondContact O-N 2.89Å
48E50.8Low44.5Very low176 Ų176151.6 Ų151.682%0.82276%0.763SS**SBendtrans-93.915.8-173.6-168.1152.3-17200114.2
49K42.2Very low45.4Very low190 Ų190154 Ų15483%0.82676%0.762SS**  trans-151.495.3-178.8-156.5172.6-168.1170.10109L47L47-K49 PolarHBondContact O-N 2.89Å
50R42.3Very low46.4Very low230 Ų230151.6 Ų151.687%0.86875%0.75SS**  trans-178.288.2135.2-68.5-138.2-153.4-173.99.3108.7
51E41.6Very low47.5Very low186 Ų186148.7 Ų148.787%0.86973%0.73SS**  trans-51.3145.8132.6-70.5176.3145.500107.7
52E42.3Very low48.1Very low152 Ų152144.5 Ų144.571%0.7171%0.712SS**  trans76.996.5175.6-46176.9178.900115.5
53F41.7Very low49.4Very low184 Ų184144 Ų14481%0.80770%0.697SS**  174.3120.7106.2-108.7-94.6000111V55F53-V55 PolarHBondContact O-N 3.35Å
54E40.1Very low50.5Low194 Ų194145.8 Ų145.891%0.90769%0.694SS**  trans-76.387.8179.2-172.7179.1-155.200110.5
55V53.9Low51.2Low103 Ų103145.8 Ų145.862%0.62470%0.699SS**  trans-155.4129.3166.1-149.40000111.2F53 Y57F53-V55 PolarHBondContact O-N 3.35Å; V55-Y57 PolarHBondContact O-N 2.97Å
56P51.8Low51.7Low124 Ų124142.5 Ų142.581%0.80569%0.685SS**  trans-74.6115.3178.229.6-31.5000110G58P56-G58 PolarHBondContact O-N 3.34Å
57Y51.1Low52.7Low199 Ų199137.3 Ų137.378%0.7867%0.668SS**  trans-61.2118.5174.5-75.3-87.8000110.4V55V55-Y57 PolarHBondContact O-N 2.97Å
58G54Low53.8Low46 Ų46136.8 Ų136.847%0.47467%0.666SS.*  trans-67.2148.8176.900000112.3P56 D60 S61P56-G58 PolarHBondContact O-N 3.34Å; G58-D60 PolarHBondContact O-N 2.93Å; G58-S61 PolarHBondContact O-N 3.1Å; G58-S61 PolarHBondContact O-OG 3.07Å
59Y54.9Low54.4Low206 Ų206136.5 Ų136.581%0.80866%0.657SS**Hα-helixtrans-46.4-28.2179.7-85.8-90.8000114.2S61 I62 S63Y59-S61 VanDerWaalsContact C-N 3.32Å; Y59-S61 PolarHBondContact O-N 3.33Å; Y59-I62 PolarHBondContact O-N 2.92Å; Y59-S63 WeakPolarHBondContact O-CB 3.23Å; Y59-S63 PolarHBondContact O-N 2.81Å; Y59-S63 PolarHBondContact O-OG 3.45Å
60D59.9Low55.5Low114 Ų114130 Ų13061%0.6164%0.635SS**Hα-helixtrans-65.5-28.9179-65.5-16.9000114.4G58 S63 R64G58-D60 PolarHBondContact O-N 2.93Å; D60-S63 WeakPolarHBondContact CA-OG 3.46Å; D60-S63 PolarHBondContact O-OG 3.31Å; D60-S63 VanDerWaalsContact O-OG 3.1Å; D60-R64 WeakPolarHBondContact O-CG 3.35Å; D60-R64 PolarHBondContact O-N 2.77Å
61S62.5Low56.5Low49 Ų49122.7 Ų122.734%0.34361%0.614SS.*Hα-helixtrans-75.8-37.8176.9610000111.6G58 Y59 A65G58-S61 PolarHBondContact O-N 3.1Å; G58-S61 PolarHBondContact O-OG 3.07Å; Y59-S61 VanDerWaalsContact C-N 3.32Å; Y59-S61 PolarHBondContact O-N 3.33Å; S61-A65 PolarHBondContact O-N 3.16Å; S61-A65 VanDerWaalsContact O-N 3.12Å
62I56.9Low57.9Low92 Ų92119.3 Ų119.347%0.47260%0.601SS.*Hα-helixtrans-72.5-39.1178.5-57.9171.6000110.3Y59 A65 L66Y59-I62 PolarHBondContact O-N 2.92Å; I62-A65 PolarHBondContact O-N 3.13Å; I62-L66 HydrophobicContact CG2-CD1 4.15Å; I62-L66 PolarHBondContact O-N 3.03Å
63S62.1Low58.9Low64 Ų64117 Ų11745%0.44859%0.59SS.*Hα-helixtrans-67.6-37.5177.5660000112.5Y59 D60 K67Y59-S63 WeakPolarHBondContact O-CB 3.23Å; Y59-S63 PolarHBondContact O-N 2.81Å; Y59-S63 PolarHBondContact O-OG 3.45Å; D60-S63 WeakPolarHBondContact CA-OG 3.46Å; D60-S63 PolarHBondContact O-OG 3.31Å; D60-S63 VanDerWaalsContact O-OG 3.1Å; S63-K67 WeakPolarHBondContact O-CB 3.4Å; S63-K67 PolarHBondContact O-N 3.31Å
64R67Low60.2Low177 Ų177113 Ų11367%0.66858%0.577SS**Hα-helixtrans-63.7-45.6171.4-79.3176.2-177.4146.24.2112.1D60 L66 K67 D68D60-R64 WeakPolarHBondContact O-CG 3.35Å; D60-R64 PolarHBondContact O-N 2.77Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.92Å; R64-K67 PolarHBondContact O-N 3.04Å; R64-D68 PolarHBondContact O-N 3.15Å
65A59.4Low61.8Low64 Ų64109.5 Ų109.553%0.52956%0.564SS.*Hα-helixtrans-62.5-39.1178.400000112.9S61 I62 R69S61-A65 PolarHBondContact O-N 3.16Å; S61-A65 VanDerWaalsContact O-N 3.12Å; I62-A65 PolarHBondContact O-N 3.13Å; A65-R69 PolarHBondContact O-N 3.28Å
66L56.7Low62.6Low112 Ų112110.1 Ų110.159%0.58656%0.56SS**Hα-helixtrans-68.8-37.4174.5-79.4165.5000112.4I62 R64 R69 S70I62-L66 HydrophobicContact CG2-CD1 4.15Å; I62-L66 PolarHBondContact O-N 3.03Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 2.92Å; L66-R69 PolarHBondContact O-N 2.84Å; L66-S70 PolarHBondContact O-N 3.39Å; L66-S70 VanDerWaalsContact O-N 3.09Å
67K71Confident63.1Low104 Ų104108.3 Ų108.345%0.45254%0.543SS..Hα-helixtrans-64.3-44.4175.6-170.1122.9-177.1-176.60111.3S63 R64 R69 S70 N71S63-K67 WeakPolarHBondContact O-CB 3.4Å; S63-K67 PolarHBondContact O-N 3.31Å; R64-K67 PolarHBondContact O-N 3.04Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 3.41Å; K67-S70 PolarHBondContact O-N 3.23Å; K67-S70 VanDerWaalsContact O-N 3.16Å; K67-S70 PolarHBondContact O-OG 2.89Å; K67-N71 VanDerWaalsContact O-CG 3.22Å; K67-N71 PolarHBondContact O-N 3.5Å; K67-N71 PolarHBondContact O-ND2 3.01Å
68D68.4Low63.9Low107 Ų107103.4 Ų103.457%0.57253%0.53SS*.Hα-helixtrans-63.7-36.9178.2-73.1-13.2000112R64 N71 L72R64-D68 PolarHBondContact O-N 3.15Å; D68-N71 PolarHBondContact O-N 3.45Å; D68-L72 PolarHBondContact O-N 3.33Å
69R62.5Low64.8Low170 Ų170109 Ų10964%0.64254%0.537SS*.Hα-helixtrans-64.3-41.3173.3-169.2174.5-177.4171.73.8112.6A65 L66 K67 N71 L72 E73A65-R69 PolarHBondContact O-N 3.28Å; L66-R69 PolarHBondContact O-N 2.84Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 3.41Å; R69-N71 VanDerWaalsContact C-N 3.33Å; R69-L72 PolarHBondContact O-N 2.92Å; R69-E73 PolarHBondContact O-N 3.44Å; R69-E73 VanDerWaalsContact O-N 3.11Å
70S64.5Low65.2Low53 Ų53104.7 Ų104.737%0.37153%0.527SS..Hα-helixtrans-66.4-35.7176.872.30000112.7L66 K67 L74L66-S70 PolarHBondContact O-N 3.39Å; L66-S70 VanDerWaalsContact O-N 3.09Å; K67-S70 PolarHBondContact O-N 3.23Å; K67-S70 VanDerWaalsContact O-N 3.16Å; K67-S70 PolarHBondContact O-OG 2.89Å; S70-L74 WeakPolarHBondContact O-CG 3.35Å; S70-L74 PolarHBondContact O-N 3.05Å; S70-L74 VanDerWaalsContact O-N 3.07Å
71N64.9Low65.3Low77 Ų77104 Ų10441%0.41252%0.522SS..Hα-helixtrans-69.2-37.1176.8-65-29.5000111.2K67 D68 R69 L74 D75K67-N71 VanDerWaalsContact O-CG 3.22Å; K67-N71 PolarHBondContact O-N 3.5Å; K67-N71 PolarHBondContact O-ND2 3.01Å; D68-N71 PolarHBondContact O-N 3.45Å; R69-N71 VanDerWaalsContact C-N 3.33Å; N71-L74 PolarHBondContact O-N 2.87Å; N71-D75 WeakPolarHBondContact O-CB 3.46Å; N71-D75 PolarHBondContact O-N 2.93Å
72L69.8Low65.1Low114 Ų114106 Ų10660%0.59754%0.536SS*.Hα-helixtrans-65.5-43.2175.7-160.199.8000111.9D68 R69 L74 D75 E76D68-L72 PolarHBondContact O-N 3.33Å; R69-L72 PolarHBondContact O-N 2.92Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L72-L74 PolarHBondContact O-N 3.49Å; L72-D75 PolarHBondContact O-N 3.37Å; L72-E76 PolarHBondContact O-N 2.86Å
73E65Low65.2Low105 Ų105110.2 Ų110.249%0.49155%0.547SS..Hα-helixtrans-66.6-35.8177-72.1-169.2178.700112.1R69 I77R69-E73 PolarHBondContact O-N 3.44Å; R69-E73 VanDerWaalsContact O-N 3.11Å; E73-I77 WeakPolarHBondContact O-CB 3.47Å; E73-I77 WeakPolarHBondContact O-CD1 3.42Å; E73-I77 WeakPolarHBondContact O-CG1 3.37Å; E73-I77 PolarHBondContact O-N 3.21Å
74L69.1Low64.8Low99 Ų99110.1 Ų110.152%0.51855%0.546SS..Hα-helixtrans-66.3-38.4173.3-81.9161.8000112.4S70 N71 L72 I77 N78S70-L74 WeakPolarHBondContact O-CG 3.35Å; S70-L74 PolarHBondContact O-N 3.05Å; S70-L74 VanDerWaalsContact O-N 3.07Å; N71-L74 PolarHBondContact O-N 2.87Å; L72-L74 VanDerWaalsContact C-N 3.35Å; L72-L74 PolarHBondContact O-N 3.49Å; L74-I77 PolarHBondContact O-N 2.91Å; L74-N78 WeakPolarHBondContact O-CB 3.26Å; L74-N78 PolarHBondContact O-N 3.01Å
75D72.3Confident63.8Low121 Ų121109.1 Ų109.165%0.64755%0.554SS**Hα-helixtrans-70.8-37.1178.4-143.333.6000111.2N71 L72 R79N71-D75 WeakPolarHBondContact O-CB 3.46Å; N71-D75 PolarHBondContact O-N 2.93Å; L72-D75 PolarHBondContact O-N 3.37Å; D75-R79 VanDerWaalsContact O-CB 3.23Å; D75-R79 WeakPolarHBondContact O-CB 3.22Å; D75-R79 PolarHBondContact O-N 2.93Å
76E70.8Confident63.3Low115 Ų115112.6 Ų112.654%0.53756%0.563SS.*Hα-helixtrans-65-43170.9-76.6-162.4155.200112.3L72 R79 I80L72-E76 PolarHBondContact O-N 2.86Å; E76-R79 WeakPolarHBondContact O-CB 3.33Å; E76-R79 PolarHBondContact O-N 3.43Å; E76-I80 WeakPolarHBondContact O-CD1 3.39Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.31Å
77I62.6Low62.4Low87 Ų87114.1 Ų114.145%0.44657%0.571SS.*Hα-helixtrans-65-43.6176.8-69.7166.1000110.7E73 L74 R79 I80 I81E73-I77 WeakPolarHBondContact O-CB 3.47Å; E73-I77 WeakPolarHBondContact O-CD1 3.42Å; E73-I77 WeakPolarHBondContact O-CG1 3.37Å; E73-I77 PolarHBondContact O-N 3.21Å; L74-I77 PolarHBondContact O-N 2.91Å; I77-R79 VanDerWaalsContact C-N 3.31Å; I77-R79 PolarHBondContact O-N 3.04Å; I77-I80 PolarHBondContact O-N 2.91Å; I77-I81 HydrophobicContact CG2-CD1 3.63Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 WeakPolarHBondContact O-CB 3.29Å; I77-I81 VanDerWaalsContact O-CG1 3.24Å; I77-I81 WeakPolarHBondContact O-CG1 3.48Å; I77-I81 PolarHBondContact O-N 3.23Å
78N67Low61.2Low95 Ų95116.8 Ų116.851%0.50859%0.585SS.*Hα-helixtrans-65.6-34.9175.8-82.1-23.4000112.1L74 I81 S82L74-N78 WeakPolarHBondContact O-CB 3.26Å; L74-N78 PolarHBondContact O-N 3.01Å; N78-I81 PolarHBondContact O-N 3.41Å; N78-S82 WeakPolarHBondContact O-CB 3.33Å; N78-S82 PolarHBondContact O-N 3.49Å; N78-S82 PolarHBondContact O-OG 2.95Å; N78-S82 VanDerWaalsContact O-OG 3.09Å
79R73.9Confident60.2Low163 Ų163116.7 Ų116.762%0.61559%0.591SS**Hα-helixtrans-64.1-44.5170.6-171174.6178.5-112.3-2.5110.9D75 E76 I77 I81 S82 Y83D75-R79 VanDerWaalsContact O-CB 3.23Å; D75-R79 WeakPolarHBondContact O-CB 3.22Å; D75-R79 PolarHBondContact O-N 2.93Å; E76-R79 WeakPolarHBondContact O-CB 3.33Å; E76-R79 PolarHBondContact O-N 3.43Å; I77-R79 VanDerWaalsContact C-N 3.31Å; I77-R79 PolarHBondContact O-N 3.04Å; R79-I81 VanDerWaalsContact C-N 3.34Å; R79-I81 PolarHBondContact O-N 2.93Å; R79-S82 WeakPolarHBondContact CA-OG 3.39Å; R79-S82 PolarHBondContact O-N 3.39Å; R79-S82 PolarHBondContact O-OG 3.04Å; R79-Y83 HydrophobicContact CG-CD2 4.19Å; R79-Y83 HydrophobicContact CG-CE2 4.18Å; R79-Y83 VanDerWaalsContact O-CD2 3.29Å; R79-Y83 WeakPolarHBondContact O-CD2 3.34Å; R79-Y83 PolarHBondContact O-N 2.98Å
80I64Low59.1Low116 Ų116116.9 Ų116.960%0.59560%0.596SS**Hα-helixtrans-63.4-40.6177.4-67.7161.3000111.2E76 I77 Y83 S84E76-I80 WeakPolarHBondContact O-CD1 3.39Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 3.31Å; I77-I80 PolarHBondContact O-N 2.91Å; I80-Y83 PolarHBondContact O-N 2.95Å; I80-S84 PolarHBondContact O-N 2.97Å
81I60.5Low58.4Low100 Ų100120.7 Ų120.751%0.51361%0.61SS.*Hα-helixtrans-69.8-37178.4-66.8167000111.7I77 N78 R79 Y83 S84I77-I81 HydrophobicContact CG2-CD1 3.63Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 WeakPolarHBondContact O-CB 3.29Å; I77-I81 VanDerWaalsContact O-CG1 3.24Å; I77-I81 WeakPolarHBondContact O-CG1 3.48Å; I77-I81 PolarHBondContact O-N 3.23Å; N78-I81 PolarHBondContact O-N 3.41Å; R79-I81 VanDerWaalsContact C-N 3.34Å; R79-I81 PolarHBondContact O-N 2.93Å; I81-Y83 VanDerWaalsContact C-N 3.28Å; I81-Y83 PolarHBondContact O-N 3.14Å; I81-S84 PolarHBondContact O-N 3.38Å; I81-S84 PolarHBondContact O-OG 2.94Å; I81-S84 VanDerWaalsContact O-OG 3.05Å
82S59.9Low57.6Low91 Ų91125 Ų12564%0.63663%0.627SS**Hα-helixtrans-70.7-22.4176.861.40000113.7N78 R79N78-S82 WeakPolarHBondContact O-CB 3.33Å; N78-S82 PolarHBondContact O-N 3.49Å; N78-S82 PolarHBondContact O-OG 2.95Å; N78-S82 VanDerWaalsContact O-OG 3.09Å; R79-S82 WeakPolarHBondContact CA-OG 3.39Å; R79-S82 PolarHBondContact O-N 3.39Å; R79-S82 PolarHBondContact O-OG 3.04Å
83Y58.4Low56.5Low180 Ų180127.4 Ų127.471%0.70663%0.633SS**Hα-helixtrans-86.5-16.3174.7-89.2-94.4000113.5R79 I80 I81 N85R79-Y83 HydrophobicContact CG-CD2 4.19Å; R79-Y83 HydrophobicContact CG-CE2 4.18Å; R79-Y83 VanDerWaalsContact O-CD2 3.29Å; R79-Y83 WeakPolarHBondContact O-CD2 3.34Å; R79-Y83 PolarHBondContact O-N 2.98Å; I80-Y83 PolarHBondContact O-N 2.95Å; I81-Y83 VanDerWaalsContact C-N 3.28Å; I81-Y83 PolarHBondContact O-N 3.14Å; Y83-N85 PolarHBondContact O-N 3.37Å
84S52.5Low55.6Low62 Ų62128.2 Ų128.243%0.43464%0.636SS.*  trans-86.689.8175.855.70000111.1I80 I81 I86I80-S84 PolarHBondContact O-N 2.97Å; I81-S84 PolarHBondContact O-N 3.38Å; I81-S84 PolarHBondContact O-OG 2.94Å; I81-S84 VanDerWaalsContact O-OG 3.05Å; S84-I86 PolarHBondContact O-N 3Å
85N46.6Very low54.6Low156 Ų156130.1 Ų130.183%0.83465%0.646SS**  trans-69.464.2167.7-168.74.3000111.1Y83Y83-N85 PolarHBondContact O-N 3.37Å
86I48.3Very low53.4Low138 Ų138129.2 Ų129.271%0.70865%0.649SS**  trans-130.485.5179-52.3176.9000108.3S84S84-I86 PolarHBondContact O-N 3Å
87N39.5Very low52.4Low143 Ų143132.5 Ų132.577%0.76566%0.662SS**  trans39.4101.5140.5-57.1-37000118
88H45.9Very low51.7Low161 Ų161135.2 Ų135.275%0.74568%0.676SS**  trans-47.7153.2148.7-74.2-103.4000111.6
89P45.9Very low50.5Low105 Ų105137.1 Ų137.168%0.68269%0.686SS**  cis-137.9104.531.335.9-14000113.9
90F39.7Very low49.1Very low173 Ų173135.3 Ų135.376%0.75970%0.696SS**SBendtrans-106.7-3.1162.6-167.8-107.5000112.6F94F90-F94 HydrophobicContact CE1-CE2 4.19Å
91M49.6Very low48.3Very low133 Ų133133.8 Ų133.866%0.65570%0.695SS**G310 helixtrans-87.8-14-175-82-67.9-136.600115.3F93M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.47Å
92E48.6Very low47.6Very low167 Ų167135.9 Ų135.978%0.7871%0.713SS**G310 helixtrans-76.2-9.7-178-88.1-175.3158.400114.9
93F46Very low46.8Very low166 Ų166138.7 Ų138.773%0.72871%0.71SS**G310 helixtrans-84.2-21178.8-169.4-107.5000113.4M91M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.47Å
94F47Very low46.2Very low122 Ų122134.4 Ų134.454%0.53571%0.707SS.*THydrogen-bonded Turntrans-98.9-13.8-175.1-72.1-75000114.7F90 S96F90-F94 HydrophobicContact CE1-CE2 4.19Å; F94-S96 PolarHBondContact O-N 3.31Å
95D47.5Very low46.1Very low139 Ų139137.6 Ų137.674%0.74372%0.719SS**THydrogen-bonded Turntrans-78.1-12.3-179-97.2-22.4000114.8
96S48.4Very low46.3Very low101 Ų101136.9 Ų136.971%0.70672%0.715SS**THydrogen-bonded Turntrans-85.9-5.9-178.664.60000114.9F94F94-S96 PolarHBondContact O-N 3.31Å
97K48.4Very low46.3Very low185 Ų185135.9 Ų135.980%0.80471%0.71SS**SBendtrans-111.9-1-173.9-95.3-78.1-174177.70115.6
98L48.4Very low46.7Very low144 Ų144136 Ų13675%0.75471%0.709SS**  trans-122.967.3175.5-72110.8000110.5P100L98-P100 WeakPolarHBondContact O-CD 3.38Å
99N41.6Very low46.8Very low134 Ų134135.2 Ų135.272%0.71771%0.71SS**  trans-75.4109.5164.3-173-9.4000108.4S101N99-S101 PolarHBondContact O-N 2.88Å; N99-S101 PolarHBondContact OD1-OG 3.41Å
100P44.8Very low46.8Very low126 Ų126141.4 Ų141.482%0.81872%0.72SS**  trans-97.986.7179.731.4-13.7000107.7L98L98-P100 WeakPolarHBondContact O-CD 3.38Å
101S47Very low47Very low83 Ų83139.5 Ų139.558%0.5872%0.718SS**  trans-140.547178.652.70000113N99N99-S101 PolarHBondContact O-N 2.88Å; N99-S101 PolarHBondContact OD1-OG 3.41Å
102V46.4Very low47Very low144 Ų144139.5 Ų139.587%0.87372%0.718SS**  trans-145.797151.5-174.10000107.8
103Y42.1Very low46.8Very low151 Ų151143 Ų14359%0.59272%0.724SS**  trans-84.3130.9174.6-162.3-108.2000108.5D105 I107Y103-D105 HydrophobicContact CE1-CB 4.46Å; Y103-D105 VanDerWaalsContact CE1-CG 3.45Å; Y103-D105 WeakPolarHBondContact CE1-OD1 3.38Å; Y103-I107 HydrophobicContact CD2-CD1 4.08Å; Y103-I107 HydrophobicContact CE2-CD1 3.49Å; Y103-I107 VanDerWaalsContact CE2-CD1 3.49Å
104S45.6Very low46.8Very low90 Ų90139.4 Ų139.463%0.62973%0.725SS**  trans-129.9131.2149.2-75.40000108D106S104-D106 VanDerWaalsContact C-N 3.25Å; S104-D106 PolarHBondContact O-N 2.87Å
105D51.5Low46.6Very low129 Ų129143.4 Ų143.469%0.6974%0.742SS**SBendtrans-65.844.9-161.5-75.6-90.1000117.2Y103Y103-D105 HydrophobicContact CE1-CB 4.46Å; Y103-D105 VanDerWaalsContact CE1-CG 3.45Å; Y103-D105 WeakPolarHBondContact CE1-OD1 3.38Å
106D50.6Low46.9Very low140 Ų140142.8 Ų142.875%0.74975%0.745SS**  trans-94.72.9-178.5-51.224.7000112.2S104 I108S104-D106 VanDerWaalsContact C-N 3.25Å; S104-D106 PolarHBondContact O-N 2.87Å; D106-I108 VanDerWaalsContact C-N 3.29Å; D106-I108 PolarHBondContact O-N 3.37Å
107I48.1Very low46.8Very low117 Ų117142.9 Ų142.960%0.675%0.752SS**THydrogen-bonded Turntrans-68-3.8-158-77.3176.8000116.5Y103Y103-I107 HydrophobicContact CD2-CD1 4.08Å; Y103-I107 HydrophobicContact CE2-CD1 3.49Å; Y103-I107 VanDerWaalsContact CE2-CD1 3.49Å
108I47.9Very low46.3Very low146 Ų146143.7 Ų143.775%0.74976%0.756SS**THydrogen-bonded Turntrans-111.4-1.9-165.8-58.7-176.2000116.2D106D106-I108 VanDerWaalsContact C-N 3.29Å; D106-I108 PolarHBondContact O-N 3.37Å
109N48Very low46.2Very low144 Ų144145.5 Ų145.577%0.7776%0.761SS**SBendtrans-143.9120.6177.7-84.9-65.2000116.9
110R45.4Very low45.9Very low236 Ų236143.6 Ų143.689%0.89176%0.763SS**  trans92.273.9154.6-71.1-179.6168.5159.4-2.9118.9
111D44.5Very low46.1Very low132 Ų132145.1 Ų145.171%0.70676%0.763SS**  66.798.3111.8-14022000118.7
112M49.5Very low45.8Very low134 Ų134149.7 Ų149.766%0.6678%0.781SS**  trans51.485.5141-62.2-164.4-89.100117.4
113R43.8Very low45.6Very low240 Ų240145 Ų14591%0.90676%0.761SS**  66.785.993.4-169.5175.7-83.5163-5.2112.8
114A47.2Very low45.5Very low90 Ų90146 Ų14674%0.74478%0.776SS**  72.311289.100000114.7
115K43.1Very low45.3Very low207 Ų207150.7 Ų150.790%0.979%0.788SS**PPolyproline II helixtrans-49.5136165.5-64166.8174.8177.90111
116P53.2Low45Very low126 Ų126149.9 Ų149.982%0.81879%0.788SS**PPolyproline II helixtrans-91.9120.5163.731.5-26.5000110.4
117A45.1Very low44.4Very low102 Ų102150.7 Ų150.784%0.84379%0.792SS**PPolyproline II helixtrans-64.9126.1161.100000108.8
118F38.9Very low44.4Very low202 Ų202148.1 Ų148.189%0.88679%0.794SS**  trans-85.6105.6171.9163.2-95.5000107.7
119E45.7Very low44.3Very low183 Ų183150.3 Ų150.386%0.85581%0.807SS**  trans-162.9130.8159.3-110.6171.8-15400110.1
120A36.7Very low44.4Very low93 Ų93152.4 Ų152.477%0.76980%0.804SS**  trans71.283.9162.600000120.2
121I47.6Very low44.6Very low158 Ų158147 Ų14781%0.8180%0.803SS**  trans-139.180.9145.2-47.4177.3000109.1
122N41.4Very low44.9Very low180 Ų180149.3 Ų149.396%0.96380%0.803SS**  trans-8995162-75.1-33.7000107.4
123G41.6Very low45.4Very low44 Ų44151.1 Ų151.145%0.45481%0.811SS.*SBendtrans144.9126.817400000112.2
124L40.5Very low46.4Very low174 Ų174144 Ų14491%0.91179%0.791SS**  trans78.488.8174.6-68.369.5000116.1
125Q40.9Very low47.9Very low187 Ų187147.7 Ų147.787%0.87479%0.786SS**  trans-160.799.2130.3-153.2167.7-37.100111.1
126T44.7Very low49.3Very low113 Ų113144.5 Ų144.569%0.69377%0.774SS**  trans-76.8147160.550.40000109.4
127N39.7Very low50.7Low156 Ų156141.6 Ų141.683%0.83476%0.755SS**  trans76.875.9158.6-42.9-31.8000116.7
128G47.2Very low52.4Low63 Ų63139.5 Ų139.565%0.64974%0.738SS**  trans-145.2111.4157.300000108.6R130G128-R130 PolarHBondContact O-N 3.28Å
129L46.6Very low54.7Low192 Ų192134.2 Ų134.2100%1.00572%0.722SS**  trans-65.460.1176.1-78.7150.4000111.4
130R49.5Very low56.7Low189 Ų189130.9 Ų130.971%0.71371%0.709SS**  trans-105.8102.7174.4-157.1171.5-151.6-93.81.1107.1G128 Y132G128-R130 PolarHBondContact O-N 3.28Å; R130-Y132 HydrophobicContact CG-CE2 4.47Å; R130-Y132 PolarHBondContact O-N 2.89Å
131S49.3Very low59.1Low123 Ų123128.3 Ų128.386%0.8669%0.692SS**  trans-5178.9175.9-59.10000112.8
132Y51.1Low61.1Low180 Ų180124.3 Ų124.371%0.70668%0.678SS**  trans-9592.5147.9-78.2-87.3000105.1R130 N134R130-Y132 HydrophobicContact CG-CE2 4.47Å; R130-Y132 PolarHBondContact O-N 2.89Å; Y132-N134 PolarHBondContact O-N 2.93Å
133M59.8Low63.4Low172 Ų172119.2 Ų119.285%0.84765%0.653SS**  trans-62.391.1164.7-170.1111.365.200105.9W135M133-W135 PolarHBondContact O-N 3.35Å; M133-W135 VanDerWaalsContact O-N 3.1Å
134N65.2Low65.8Low91 Ų91121.3 Ų121.349%0.48766%0.66SS.*  trans-54.9120.4167.751.8-23.6000105.7Y132 Q136 P137Y132-N134 PolarHBondContact O-N 2.93Å; N134-Q136 PolarHBondContact O-N 3.25Å; N134-P137 WeakPolarHBondContact ND2-CD 3.32Å; N134-P137 WeakPolarHBondContact O-CD 3.37Å; N134-P137 WeakPolarHBondContact O-CG 3.44Å; N134-P137 WeakPolarHBondContact OD1-CD 3.46Å; N134-P137 WeakPolarHBondContact OD1-CG 3.39Å
135W78.1Confident68.1Low167 Ų167116 Ų11663%0.63364%0.64SS**Hα-helixtrans-60.7-10.4175.345.737.7000112.4Y27 M133 A138 V139Y27-W135 HydrophobicContact CE1-CE3 4.22Å; M133-W135 PolarHBondContact O-N 3.35Å; M133-W135 VanDerWaalsContact O-N 3.1Å; W135-A138 PolarHBondContact O-N 3.07Å; W135-V139 VanDerWaalsContact O-CG2 3.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.35Å; W135-V139 PolarHBondContact O-N 3.44Å
136Q73.5Confident70.4Confident139 Ų139109.7 Ų109.765%0.6562%0.621SS**Hα-helixtrans-64.4-52.2-176.2-66.6-161.7-4800112.7N134 A138 V139 I140N134-Q136 PolarHBondContact O-N 3.25Å; Q136-A138 VanDerWaalsContact C-N 3.27Å; Q136-A138 PolarHBondContact O-N 3.4Å; Q136-V139 PolarHBondContact O-N 3.4Å; Q136-I140 WeakPolarHBondContact O-CG2 3.36Å; Q136-I140 PolarHBondContact O-N 3.43Å
137P82.4Confident72.6Confident65 Ų65109.2 Ų109.242%0.42261%0.614SS.*Hα-helixtrans-59.1-32.7171.319.6-34.1000113.7N134 I140 G141N134-P137 WeakPolarHBondContact ND2-CD 3.32Å; N134-P137 WeakPolarHBondContact O-CD 3.37Å; N134-P137 WeakPolarHBondContact O-CG 3.44Å; N134-P137 WeakPolarHBondContact OD1-CD 3.46Å; N134-P137 WeakPolarHBondContact OD1-CG 3.39Å; P137-I140 VanDerWaalsContact O-CG2 3.28Å; P137-I140 WeakPolarHBondContact O-CG2 3.35Å; P137-G141 PolarHBondContact O-N 3.21Å
138A81.1Confident74.9Confident58 Ų58103.3 Ų103.348%0.47959%0.589SS.*Hα-helixtrans-69.1-43.8177.500000111.8W135 Q136 S142W135-A138 PolarHBondContact O-N 3.07Å; Q136-A138 VanDerWaalsContact C-N 3.27Å; Q136-A138 PolarHBondContact O-N 3.4Å; A138-S142 WeakPolarHBondContact O-CB 3.3Å; A138-S142 PolarHBondContact O-N 3.04Å
139V86.1Confident77Confident92 Ų92104.2 Ų104.256%0.55858%0.582SS**Hα-helixtrans-66.7-46.4177.5173.50000110.9W135 Q136 G141 S142 V143W135-V139 VanDerWaalsContact O-CG2 3.3Å; W135-V139 WeakPolarHBondContact O-CG2 3.35Å; W135-V139 PolarHBondContact O-N 3.44Å; Q136-V139 PolarHBondContact O-N 3.4Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 2.84Å; V139-S142 PolarHBondContact O-N 3.44Å; V139-V143 HydrophobicContact CG1-CG2 4.47Å; V139-V143 WeakPolarHBondContact O-CG2 3.34Å; V139-V143 PolarHBondContact O-N 3.37Å
140I88Confident79.1Confident113 Ų113100.3 Ų100.358%0.57956%0.561SS**Hα-helixtrans-64.8-38.2178.5-168.365.5000111.8Q136 P137 V143 C144Q136-I140 WeakPolarHBondContact O-CG2 3.36Å; Q136-I140 PolarHBondContact O-N 3.43Å; P137-I140 VanDerWaalsContact O-CG2 3.28Å; P137-I140 WeakPolarHBondContact O-CG2 3.35Å; I140-V143 PolarHBondContact O-N 3.39Å; I140-C144 WeakPolarHBondContact O-CB 3.33Å; I140-C144 PolarHBondContact O-N 3.49Å
141G87.5Confident81.1Confident39 Ų3995.3 Ų95.340%0.40255%0.552SS.*Hα-helixtrans-63.1-42.5174.800000112.2P137 V139 C144 A145P137-G141 PolarHBondContact O-N 3.21Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 2.84Å; G141-C144 PolarHBondContact O-N 3.49Å; G141-A145 WeakPolarHBondContact O-CB 3.39Å; G141-A145 PolarHBondContact O-N 3.22Å
142S88.3Confident83.1Confident74 Ų7495.3 Ų95.352%0.51754%0.541SS..Hα-helixtrans-63.7-44.5176.1-178.50000112.4A138 V139 A145 A146A138-S142 WeakPolarHBondContact O-CB 3.3Å; A138-S142 PolarHBondContact O-N 3.04Å; V139-S142 PolarHBondContact O-N 3.44Å; S142-A145 PolarHBondContact O-N 2.93Å; S142-A146 PolarHBondContact O-N 3.38Å
143V90.5Very high85Confident73 Ų7388.5 Ų88.544%0.44252%0.522SS..Hα-helixtrans-63.1-43.6176.7174.20000110.8V139 I140 A145 A146 L147V139-V143 HydrophobicContact CG1-CG2 4.47Å; V139-V143 WeakPolarHBondContact O-CG2 3.34Å; V139-V143 PolarHBondContact O-N 3.37Å; I140-V143 PolarHBondContact O-N 3.39Å; V143-A145 PolarHBondContact O-N 3.43Å; V143-A146 PolarHBondContact O-N 3.34Å; V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 2.99Å
144C91.1Very high86.4Confident88 Ų8882.9 Ų82.960%0.59550%0.503SS*.Hα-helixtrans-63.3-42.8178.6-1670000112.1I140 G141 L147 G148I140-C144 WeakPolarHBondContact O-CB 3.33Å; I140-C144 PolarHBondContact O-N 3.49Å; G141-C144 PolarHBondContact O-N 3.49Å; C144-L147 PolarHBondContact O-N 3.07Å; C144-G148 PolarHBondContact O-N 3.43Å
145A90.4Very high87.7Confident61 Ų6182.8 Ų82.850%0.50450%0.501SS..Hα-helixtrans-63-42.8176.500000112.1G141 S142 V143 L147 G148 V149G141-A145 WeakPolarHBondContact O-CB 3.39Å; G141-A145 PolarHBondContact O-N 3.22Å; S142-A145 PolarHBondContact O-N 2.93Å; V143-A145 PolarHBondContact O-N 3.43Å; A145-L147 PolarHBondContact O-N 3.17Å; A145-G148 PolarHBondContact O-N 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.35Å
146A88.2Confident88.3Confident56 Ų5676.4 Ų76.446%0.46349%0.488SS..Hα-helixtrans-62.6-4217700000112.1S142 V143 V149 L150S142-A146 PolarHBondContact O-N 3.38Å; V143-A146 PolarHBondContact O-N 3.34Å; A146-V149 PolarHBondContact O-N 2.98Å; A146-L150 WeakPolarHBondContact O-CG 3.43Å; A146-L150 PolarHBondContact O-N 3.48Å
147L90.8Very high89.1Confident103 Ų10372.7 Ų72.754%0.53948%0.475SS..Hα-helixtrans-65.4-41.1174.9-67.8176.1000111.9V143 C144 A145 V149 L150 V151V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 2.99Å; C144-L147 PolarHBondContact O-N 3.07Å; A145-L147 PolarHBondContact O-N 3.17Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 3.38Å; L147-L150 PolarHBondContact O-N 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.17Å
148G89.2Confident89.5Confident31 Ų3172.4 Ų72.432%0.3248%0.478SS..Hα-helixtrans-58-45.1176.500000112.6C144 A145 L150 V151 I152C144-G148 PolarHBondContact O-N 3.43Å; A145-G148 PolarHBondContact O-N 3.31Å; G148-L150 PolarHBondContact O-N 3.34Å; G148-V151 PolarHBondContact O-N 2.86Å; G148-I152 WeakPolarHBondContact O-CG1 3.34Å; G148-I152 PolarHBondContact O-N 2.98Å; G148-I152 VanDerWaalsContact O-N 3.07Å
149V91.4Very high90Very high82 Ų8277.1 Ų77.150%0.49748%0.484SS..Hα-helixtrans-64.1-40.6177.1175.40000111.6A145 A146 L147 V151 I152 A153A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 3.35Å; A146-V149 PolarHBondContact O-N 2.98Å; L147-V149 VanDerWaalsContact C-N 3.35Å; L147-V149 PolarHBondContact O-N 3.38Å; V149-V151 PolarHBondContact O-N 2.9Å; V149-I152 PolarHBondContact O-N 3.32Å; V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.92Å
150L89.9Confident90.1Very high110 Ų11077 Ų7758%0.57648%0.477SS*.Hα-helixtrans-63.9-40.3177.1-73.9174000112.3A146 L147 G148 A153 A154A146-L150 WeakPolarHBondContact O-CG 3.43Å; A146-L150 PolarHBondContact O-N 3.48Å; L147-L150 PolarHBondContact O-N 3.3Å; G148-L150 PolarHBondContact O-N 3.34Å; L150-A153 PolarHBondContact O-N 2.89Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.49Å
151V91.1Very high90.1Very high85 Ų8577 Ų7752%0.51547%0.473SS..Hα-helixtrans-64.2-45176.7172.50000110.7L147 G148 V149 A153 A154 I155L147-V151 WeakPolarHBondContact O-CG2 3.48Å; L147-V151 PolarHBondContact O-N 3.17Å; G148-V151 PolarHBondContact O-N 2.86Å; V149-V151 PolarHBondContact O-N 2.9Å; V151-A153 PolarHBondContact O-N 2.79Å; V151-A154 PolarHBondContact O-N 3.1Å; V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 VanDerWaalsContact O-CG1 3.26Å; V151-I155 WeakPolarHBondContact O-CG1 3.37Å; V151-I155 PolarHBondContact O-N 2.9Å
152I91.2Very high90.1Very high122 Ų12282.8 Ų82.863%0.62648%0.483SS*.Hα-helixtrans-63.8-42178.3-64.9165.1000110.9G148 V149 I155 G156G148-I152 WeakPolarHBondContact O-CG1 3.34Å; G148-I152 PolarHBondContact O-N 2.98Å; G148-I152 VanDerWaalsContact O-N 3.07Å; V149-I152 PolarHBondContact O-N 3.32Å; I152-I155 PolarHBondContact O-N 3.48Å; I152-G156 PolarHBondContact O-N 3.06Å
153A90.7Very high90Very high38 Ų3886 Ų8631%0.31449%0.488SS..Hα-helixtrans-65.3-40.6176.200000112.3V149 L150 V151 G156 T157V149-A153 WeakPolarHBondContact O-CB 3.45Å; V149-A153 PolarHBondContact O-N 2.92Å; L150-A153 PolarHBondContact O-N 2.89Å; V151-A153 PolarHBondContact O-N 2.79Å; A153-G156 PolarHBondContact O-N 3.27Å; A153-T157 WeakPolarHBondContact O-CB 3.33Å; A153-T157 VanDerWaalsContact O-CG2 3.29Å; A153-T157 WeakPolarHBondContact O-CG2 3.2Å; A153-T157 PolarHBondContact O-N 3.5Å; A153-T157 PolarHBondContact O-OG1 2.97Å
154A90.6Very high89.6Confident54 Ų5486.7 Ų86.745%0.44649%0.488SS..Hα-helixtrans-62.6-42.6175.100000111.4L150 V151 T157 A158L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.49Å; V151-A154 PolarHBondContact O-N 3.1Å; A154-T157 WeakPolarHBondContact CA-OG1 3.26Å; A154-T157 PolarHBondContact O-OG1 3.35Å; A154-A158 VanDerWaalsContact O-CB 3.23Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 3.41Å
155I91.7Very high89Confident88 Ų8890 Ų9045%0.45149%0.489SS..Hα-helixtrans-63.2-49174.8-68.6167.6000110.4V151 I152 T157 A158 Y159V151-I155 HydrophobicContact CG1-CD1 3.81Å; V151-I155 VanDerWaalsContact O-CG1 3.26Å; V151-I155 WeakPolarHBondContact O-CG1 3.37Å; V151-I155 PolarHBondContact O-N 2.9Å; I152-I155 PolarHBondContact O-N 3.48Å; I155-T157 PolarHBondContact O-N 3.4Å; I155-A158 PolarHBondContact O-N 2.94Å; I155-Y159 HydrophobicContact CG2-CD2 3.5Å; I155-Y159 HydrophobicContact CG2-CE2 3.42Å; I155-Y159 VanDerWaalsContact CG2-CE2 3.42Å; I155-Y159 VanDerWaalsContact O-CD2 3.22Å; I155-Y159 WeakPolarHBondContact O-CD2 3.36Å; I155-Y159 PolarHBondContact O-N 3.04Å
156G91.3Very high88.3Confident34 Ų3493.3 Ų93.335%0.35149%0.491SS..Hα-helixtrans-59-44.1178.600000113I152 A153 Y159 Q160I152-G156 PolarHBondContact O-N 3.06Å; A153-G156 PolarHBondContact O-N 3.27Å; G156-Y159 PolarHBondContact O-N 3.35Å; G156-Q160 WeakPolarHBondContact O-CG 3.13Å; G156-Q160 PolarHBondContact O-N 3.48Å
157T90.4Very high87.4Confident61 Ų6196.2 Ų96.237%0.37450%0.495SS..Hα-helixtrans-69.3-35.4176.855.80000112.5A153 A154 I155 Q160 K161A153-T157 WeakPolarHBondContact O-CB 3.33Å; A153-T157 VanDerWaalsContact O-CG2 3.29Å; A153-T157 WeakPolarHBondContact O-CG2 3.2Å; A153-T157 PolarHBondContact O-N 3.5Å; A153-T157 PolarHBondContact O-OG1 2.97Å; A154-T157 WeakPolarHBondContact CA-OG1 3.26Å; A154-T157 PolarHBondContact O-OG1 3.35Å; I155-T157 PolarHBondContact O-N 3.4Å; T157-Q160 PolarHBondContact O-N 3.03Å; T157-K161 WeakPolarHBondContact O-CB 3.43Å; T157-K161 WeakPolarHBondContact O-CG 3.3Å; T157-K161 PolarHBondContact O-N 2.66Å
158A89.8Confident85.9Confident58 Ų5894.5 Ų94.548%0.47949%0.492SS..Hα-helixtrans-65.9-40.9172.900000111.8A154 I155 R162A154-A158 VanDerWaalsContact O-CB 3.23Å; A154-A158 WeakPolarHBondContact O-CB 3.28Å; A154-A158 PolarHBondContact O-N 3.41Å; I155-A158 PolarHBondContact O-N 2.94Å; A158-R162 VanDerWaalsContact O-CB 3.29Å; A158-R162 WeakPolarHBondContact O-CB 3.25Å; A158-R162 PolarHBondContact O-N 3.33Å
159Y91.8Very high84.4Confident158 Ų15899.9 Ų99.962%0.6250%0.503SS*.Hα-helixtrans-65.1-43.7174.1-87.7-72.9000112.2I155 G156 R162 K163I155-Y159 HydrophobicContact CG2-CD2 3.5Å; I155-Y159 HydrophobicContact CG2-CE2 3.42Å; I155-Y159 VanDerWaalsContact CG2-CE2 3.42Å; I155-Y159 VanDerWaalsContact O-CD2 3.22Å; I155-Y159 WeakPolarHBondContact O-CD2 3.36Å; I155-Y159 PolarHBondContact O-N 3.04Å; G156-Y159 PolarHBondContact O-N 3.35Å; Y159-R162 PolarHBondContact O-N 2.99Å; Y159-K163 WeakPolarHBondContact O-CB 3.37Å; Y159-K163 PolarHBondContact O-N 2.95Å
160Q88.6Confident82.7Confident89 Ų89101.8 Ų101.842%0.41651%0.509SS..Hα-helixtrans-63.5-45.3176.1-75.9-177.7-7.900111.6G156 T157 K163 L164G156-Q160 WeakPolarHBondContact O-CG 3.13Å; G156-Q160 PolarHBondContact O-N 3.48Å; T157-Q160 PolarHBondContact O-N 3.03Å; Q160-K163 PolarHBondContact O-N 3.5Å; Q160-L164 WeakPolarHBondContact O-CG 3.4Å; Q160-L164 PolarHBondContact O-N 3.36Å
161K88.1Confident81Confident113 Ų113100 Ų10049%0.49151%0.506SS..Hα-helixtrans-58-52.7171.7-80-170.4176.1-171.80109.8T157 K163 L164 W165T157-K161 WeakPolarHBondContact O-CB 3.43Å; T157-K161 WeakPolarHBondContact O-CG 3.3Å; T157-K161 PolarHBondContact O-N 2.66Å; K161-K163 PolarHBondContact O-N 2.9Å; K161-K163 VanDerWaalsContact O-N 3.15Å; K161-L164 CarbonylContact O-C 3.57Å; K161-L164 PolarHBondContact O-N 3.4Å; K161-W165 VanDerWaalsContact C-CD1 3.49Å; K161-W165 PolarHBondContact O-N 3.42Å
162R86.9Confident79.3Confident161 Ų161100.2 Ų100.261%0.60850%0.502SS*.Hα-helixtrans-56.7-36.8179.3-165.2176.8-173.9-172.42113A158 Y159 K166A158-R162 VanDerWaalsContact O-CB 3.29Å; A158-R162 WeakPolarHBondContact O-CB 3.25Å; A158-R162 PolarHBondContact O-N 3.33Å; Y159-R162 PolarHBondContact O-N 2.99Å; R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 VanDerWaalsContact O-CG 3.32Å; R162-K166 WeakPolarHBondContact O-CG 3.19Å; R162-K166 PolarHBondContact O-N 3.43Å
163K87.3Confident77.5Confident141 Ų14198.8 Ų98.861%0.61350%0.495SS*.Hα-helixtrans-65.2-46.9174.4-174177.7179.8-179.80111.7Y159 Q160 K161 K166 Q167Y159-K163 WeakPolarHBondContact O-CB 3.37Å; Y159-K163 PolarHBondContact O-N 2.95Å; Q160-K163 PolarHBondContact O-N 3.5Å; K161-K163 PolarHBondContact O-N 2.9Å; K161-K163 VanDerWaalsContact O-N 3.15Å; K163-K166 PolarHBondContact O-N 2.89Å; K163-Q167 PolarHBondContact O-N 2.94Å
164L80.5Confident75.7Confident87 Ų87104.9 Ų104.946%0.45552%0.517SS..Hα-helixtrans-63-41.7175.1-68.5172.1000111.5Q160 K161 K166 Q167 S168Q160-L164 WeakPolarHBondContact O-CG 3.4Å; Q160-L164 PolarHBondContact O-N 3.36Å; K161-L164 CarbonylContact O-C 3.57Å; K161-L164 PolarHBondContact O-N 3.4Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.88Å; L164-Q167 PolarHBondContact O-N 2.86Å; L164-Q167 VanDerWaalsContact O-N 3.13Å; L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.18Å
165W79.5Confident73.8Confident159 Ų159109.3 Ų109.360%0.60253%0.529SS*.Hα-helixtrans-66-36.6178-70.146.4000110.9K161 S168 R169K161-W165 VanDerWaalsContact C-CD1 3.49Å; K161-W165 PolarHBondContact O-N 3.42Å; W165-S168 PolarHBondContact O-N 3.45Å; W165-R169 VanDerWaalsContact O-CB 3.29Å; W165-R169 WeakPolarHBondContact O-CB 3.36Å; W165-R169 WeakPolarHBondContact O-CG 3.11Å; W165-R169 PolarHBondContact O-N 3.24Å
166K75Confident71.7Confident130 Ų130110 Ų11057%0.56553%0.529SS*.Hα-helixtrans-64.4-38.3171.6-76.5180177.3-165.90112.2R162 K163 L164 R169 L170R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 VanDerWaalsContact O-CG 3.32Å; R162-K166 WeakPolarHBondContact O-CG 3.19Å; R162-K166 PolarHBondContact O-N 3.43Å; K163-K166 PolarHBondContact O-N 2.89Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 2.88Å; K166-R169 PolarHBondContact O-N 3.31Å; K166-L170 WeakPolarHBondContact O-CD1 3.15Å; K166-L170 WeakPolarHBondContact O-CG 3.17Å; K166-L170 PolarHBondContact O-N 3.42Å
167Q69Low69.8Low116 Ų116114 Ų11454%0.54255%0.546SS..Hα-helixtrans-69.7-42175.1-72.6-172.7-13.100112K163 L164 R169 L170 S171K163-Q167 PolarHBondContact O-N 2.94Å; L164-Q167 PolarHBondContact O-N 2.86Å; L164-Q167 VanDerWaalsContact O-N 3.13Å; Q167-R169 VanDerWaalsContact C-N 3.31Å; Q167-R169 PolarHBondContact O-N 3.44Å; Q167-L170 PolarHBondContact O-N 2.99Å; Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 VanDerWaalsContact O-N 3.07Å; Q167-S171 PolarHBondContact O-OG 3.27Å
168S60.2Low67.8Low68 Ų68117.9 Ų117.948%0.47656%0.564SS.*Hα-helixtrans-66.5-32.7174.2-59.70000112.3L164 W165 S171 Q172L164-S168 PolarHBondContact O-N 3.49Å; L164-S168 PolarHBondContact O-OG 3.18Å; W165-S168 PolarHBondContact O-N 3.45Å; S168-S171 VanDerWaalsContact CA-OG 3.31Å; S168-S171 WeakPolarHBondContact CA-OG 3.42Å; S168-S171 PolarHBondContact O-OG 2.86Å; S168-Q172 WeakPolarHBondContact O-CB 3.06Å; S168-Q172 PolarHBondContact O-N 2.99Å
169R58.2Low65.9Low144 Ų144121.1 Ų121.154%0.54357%0.569SS.*Hα-helixtrans-75.2-30172.1-70.3-144.2-171.9-166-0.7112.5W165 K166 Q167 S171 Q172 D173W165-R169 VanDerWaalsContact O-CB 3.29Å; W165-R169 WeakPolarHBondContact O-CB 3.36Å; W165-R169 WeakPolarHBondContact O-CG 3.11Å; W165-R169 PolarHBondContact O-N 3.24Å; K166-R169 PolarHBondContact O-N 3.31Å; Q167-R169 VanDerWaalsContact C-N 3.31Å; Q167-R169 PolarHBondContact O-N 3.44Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-Q172 CarbonylContact O-C 3.4Å; R169-Q172 PolarHBondContact O-N 2.97Å; R169-D173 WeakPolarHBondContact O-CA 3.3Å; R169-D173 WeakPolarHBondContact O-CB 3.19Å; R169-D173 PolarHBondContact O-N 3.5Å; R169-D173 VanDerWaalsContact O-OD2 3.08Å
170L55.8Low63.7Low121 Ų121121.4 Ų121.463%0.63458%0.581SS**Hα-helixtrans-65.1-39.4169.8-78158.5000111.5K166 Q167K166-L170 WeakPolarHBondContact O-CD1 3.15Å; K166-L170 WeakPolarHBondContact O-CG 3.17Å; K166-L170 PolarHBondContact O-N 3.42Å; Q167-L170 PolarHBondContact O-N 2.99Å
171S53.2Low61.5Low73 Ų73120.5 Ų120.551%0.5159%0.585SS.*Hα-helixtrans-73.8-28.1172.652.90000113.6Q167 S168 R169Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 VanDerWaalsContact O-N 3.07Å; Q167-S171 PolarHBondContact O-OG 3.27Å; S168-S171 VanDerWaalsContact CA-OG 3.31Å; S168-S171 WeakPolarHBondContact CA-OG 3.42Å; S168-S171 PolarHBondContact O-OG 2.86Å; R169-S171 VanDerWaalsContact C-N 3.33Å
172Q54.7Low59.5Low89 Ų89123.2 Ų123.242%0.41661%0.605SS.*Hα-helixtrans-89.3-29.4-179.5-165171.826.900111.9S168 R169 E174 E175 F176S168-Q172 WeakPolarHBondContact O-CB 3.06Å; S168-Q172 PolarHBondContact O-N 2.99Å; R169-Q172 CarbonylContact O-C 3.4Å; R169-Q172 PolarHBondContact O-N 2.97Å; Q172-E174 PolarHBondContact O-N 2.91Å; Q172-E175 CarbonylContact O-C 3.58Å; Q172-E175 WeakPolarHBondContact O-CA 3.1Å; Q172-E175 PolarHBondContact O-N 2.84Å; Q172-F176 HydrophobicContact CG-CB 4.32Å; Q172-F176 HydrophobicContact CG-CD2 3.54Å; Q172-F176 HydrophobicContact CG-CE2 4.26Å; Q172-F176 HydrophobicContact CG-CG 4.21Å; Q172-F176 WeakPolarHBondContact O-CA 3.31Å; Q172-F176 VanDerWaalsContact O-CB 3.23Å; Q172-F176 WeakPolarHBondContact O-CB 3.2Å; Q172-F176 PolarHBondContact O-N 2.91Å
173D53.5Low57.9Low92 Ų92121.5 Ų121.549%0.49261%0.607SS.*Hα-helixtrans-70.6-21.3177.3-65.6-22.8000110.6R169 T177R169-D173 WeakPolarHBondContact O-CA 3.3Å; R169-D173 WeakPolarHBondContact O-CB 3.19Å; R169-D173 PolarHBondContact O-N 3.5Å; R169-D173 VanDerWaalsContact O-OD2 3.08Å; D173-T177 PolarHBondContact O-OG1 3.5Å
174E53.3Low56.2Low166 Ų166119.6 Ų119.678%0.77661%0.609SS**THydrogen-bonded Turntrans-76.9-23.2165.5-68.9-171161.700113.2Q172Q172-E174 PolarHBondContact O-N 2.91Å
175E51Low55.1Low148 Ų148122.5 Ų122.569%0.69263%0.625SS**THydrogen-bonded Turntrans-104.3-18.1-179.6-155.2175.6146.500113.7Q172Q172-E175 CarbonylContact O-C 3.58Å; Q172-E175 WeakPolarHBondContact O-CA 3.1Å; Q172-E175 PolarHBondContact O-N 2.84Å
176F48.7Very low54Low102 Ų102123 Ų12345%0.44763%0.631SS.*SBendtrans-102.1-3.2-177.6-112.7-99.2000113.8Q172 L178 E179Q172-F176 HydrophobicContact CG-CB 4.32Å; Q172-F176 HydrophobicContact CG-CD2 3.54Å; Q172-F176 HydrophobicContact CG-CE2 4.26Å; Q172-F176 HydrophobicContact CG-CG 4.21Å; Q172-F176 WeakPolarHBondContact O-CA 3.31Å; Q172-F176 VanDerWaalsContact O-CB 3.23Å; Q172-F176 WeakPolarHBondContact O-CB 3.2Å; Q172-F176 PolarHBondContact O-N 2.91Å; F176-L178 PolarHBondContact O-N 3.32Å; F176-E179 HydrophobicContact CD1-CB 4.32Å; F176-E179 HydrophobicContact CE1-CB 4.32Å; F176-E179 WeakPolarHBondContact CE2-OE2 3.18Å; F176-E179 WeakPolarHBondContact CZ-OE2 3.15Å
177T49.6Very low52.9Low117 Ų117123 Ų12372%0.71864%0.635SS**THydrogen-bonded Turntrans-77.63.8164.837.30000112.9D173D173-T177 PolarHBondContact O-OG1 3.5Å
178L49.3Very low52.2Low143 Ų143123.9 Ų123.975%0.74964%0.643SS**THydrogen-bonded Turntrans-115.913.5172.4-79.6172.1000114.5F176F176-L178 PolarHBondContact O-N 3.32Å
179E49.6Very low51.9Low126 Ų126124.2 Ų124.259%0.58965%0.645SS**SBendtrans-119.736-178.9-153.2-172.213600113F176F176-E179 HydrophobicContact CD1-CB 4.32Å; F176-E179 HydrophobicContact CE1-CB 4.32Å; F176-E179 WeakPolarHBondContact CE2-OE2 3.18Å; F176-E179 WeakPolarHBondContact CZ-OE2 3.15Å
180N45.3Very low51.8Low164 Ų164122.3 Ų122.388%0.87765%0.646SS**SBendtrans-134.416.9170.3-131.195.8000114.6
181S42.4Very low51.9Low70 Ų70119.7 Ų119.749%0.4964%0.637SS.*SBendtrans-135.985175.258.50000111.2L183S181-L183 PolarHBondContact O-N 2.78Å
182N47.5Very low52.5Low170 Ų170119.7 Ų119.791%0.90964%0.637SS**  trans20.857.2150.4-62-76.2000118.3
183L53.3Low53.2Low126 Ų126120 Ų12066%0.6664%0.638SS**  trans-121.1138.7179.8-112.572.4000112S181S181-L183 PolarHBondContact O-N 2.78Å
184P51.4Low54.2Low101 Ų101120.2 Ų120.266%0.65664%0.64SS**  trans-75.2142.9-162.329.4-33000113.3K186 M187P184-K186 PolarHBondContact O-N 3.33Å; P184-M187 PolarHBondContact O-N 3.47Å
185D56.9Low55.2Low148 Ų148116.6 Ų116.679%0.79163%0.626SS**THydrogen-bonded Turntrans-45.7-5.1-176.2-61.4-36000118
186K55.4Low56.5Low168 Ų168116.7 Ų116.773%0.7362%0.62SS**THydrogen-bonded Turntrans-88-13.3-176.4-165.1158.9176.11520114.1P184 L190P184-K186 PolarHBondContact O-N 3.33Å; K186-L190 WeakPolarHBondContact O-CD1 3.11Å
187M52.1Low58.1Low131 Ų131117.4 Ų117.465%0.64562%0.623SS**THydrogen-bonded Turntrans-91.1-27.9179.7-136.8171.288.900113.4P184 S189 L190 S191P184-M187 PolarHBondContact O-N 3.47Å; M187-S189 VanDerWaalsContact C-N 3.33Å; M187-S189 PolarHBondContact O-N 3.31Å; M187-L190 PolarHBondContact O-N 2.9Å; M187-S191 PolarHBondContact O-N 3.42Å
188L55.5Low59.7Low134 Ų134117.4 Ų117.470%0.70262%0.618SS**Hα-helixtrans-65.5-33.4176.6-75169.2000112.8L190 S192L188-L190 VanDerWaalsContact C-N 3.35Å; L188-S192 PolarHBondContact O-N 3.48Å
189S52.8Low61.3Low75 Ų75113.1 Ų113.152%0.52460%0.603SS.*Hα-helixtrans-73.3-27.6177.673.60000113.2M187M187-S189 VanDerWaalsContact C-N 3.33Å; M187-S189 PolarHBondContact O-N 3.31Å
190L57.3Low63.1Low105 Ų105113 Ų11355%0.5560%0.603SS.*Hα-helixtrans-78-40.2179.6-73.6161.5000111K186 M187 L188 S192 E193 D194K186-L190 WeakPolarHBondContact O-CD1 3.11Å; M187-L190 PolarHBondContact O-N 2.9Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.35Å; L190-E193 PolarHBondContact O-N 3.28Å; L190-D194 PolarHBondContact O-N 2.75Å
191S58.3Low65.1Low65 Ų65108.3 Ų108.346%0.45558%0.583SS.*Hα-helixtrans-60.8-41.9174.2-156.60000111.5M187 E193 D194 D195M187-S191 PolarHBondContact O-N 3.42Å; S191-E193 PolarHBondContact O-N 2.8Å; S191-E193 VanDerWaalsContact O-N 3.16Å; S191-D194 PolarHBondContact O-N 2.97Å; S191-D195 WeakPolarHBondContact O-CB 3.31Å; S191-D195 VanDerWaalsContact O-CG 3.22Å; S191-D195 PolarHBondContact O-N 3.32Å; S191-D195 VanDerWaalsContact O-OD2 3.08Å; S191-D195 PolarHBondContact OG-OD2 2.92Å
192S64.2Low67.3Low74 Ų74107 Ų10752%0.51758%0.576SS.*Hα-helixtrans-59.1-30.7178.7-1770000113.6L188 L190 R196L188-S192 PolarHBondContact O-N 3.48Å; L190-S192 VanDerWaalsContact C-N 3.31Å; L190-S192 PolarHBondContact O-N 3.35Å; S192-R196 VanDerWaalsContact O-CB 3.28Å; S192-R196 WeakPolarHBondContact O-CB 3.01Å; S192-R196 PolarHBondContact O-N 2.8Å
193E69.1Low69.3Low94 Ų94105.6 Ų105.644%0.43956%0.564SS.*Hα-helixtrans-82.4-34.9-176.8-147.9168.6137.700112.8L190 S191 R196 K197L190-E193 PolarHBondContact O-N 3.28Å; S191-E193 PolarHBondContact O-N 2.8Å; S191-E193 VanDerWaalsContact O-N 3.16Å; E193-R196 IonicContact OE1-NH2 3.64Å; E193-K197 WeakPolarHBondContact O-CG 3.31Å; E193-K197 PolarHBondContact O-N 3.41Å
194D75.4Confident70.9Confident97 Ų97105.1 Ų105.152%0.51956%0.56SS.*Hα-helixtrans-74.1-37.9172.9-71-27.9000111.1L190 S191 R196 K197 L198L190-D194 PolarHBondContact O-N 2.75Å; S191-D194 PolarHBondContact O-N 2.97Å; D194-R196 VanDerWaalsContact C-N 3.31Å; D194-R196 PolarHBondContact O-N 3.28Å; D194-K197 PolarHBondContact O-N 2.82Å; D194-K197 IonicContact OD1-NZ 3.95Å; D194-L198 PolarHBondContact O-N 2.94Å
195D73.8Confident72.8Confident90 Ų90107.1 Ų107.148%0.48156%0.555SS.*Hα-helixtrans-64.1-36.4172.2-68.3-31.4000111.6S191 K197 L198 A199S191-D195 WeakPolarHBondContact O-CB 3.31Å; S191-D195 VanDerWaalsContact O-CG 3.22Å; S191-D195 PolarHBondContact O-N 3.32Å; S191-D195 VanDerWaalsContact O-OD2 3.08Å; S191-D195 PolarHBondContact OG-OD2 2.92Å; D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 3.39Å; D195-L198 PolarHBondContact O-N 3.45Å; D195-A199 VanDerWaalsContact O-CB 3.25Å; D195-A199 WeakPolarHBondContact O-CB 3.47Å; D195-A199 PolarHBondContact O-N 2.78Å
196R79Confident74.5Confident150 Ų150106 Ų10657%0.56655%0.545SS*.Hα-helixtrans-63.1-41174.5-169177.574.5-145-1.4111.6S192 E193 D194 Q200S192-R196 VanDerWaalsContact O-CB 3.28Å; S192-R196 WeakPolarHBondContact O-CB 3.01Å; S192-R196 PolarHBondContact O-N 2.8Å; E193-R196 IonicContact OE1-NH2 3.64Å; D194-R196 VanDerWaalsContact C-N 3.31Å; D194-R196 PolarHBondContact O-N 3.28Å; R196-Q200 WeakPolarHBondContact O-CB 3.49Å; R196-Q200 PolarHBondContact O-N 2.7Å
197K82.6Confident76.2Confident117 Ų117105.2 Ų105.251%0.50954%0.539SS..Hα-helixtrans-67.4-40.9174.9-69.9172.1-1711600111.1E193 D194 D195 Q200 S201E193-K197 WeakPolarHBondContact O-CG 3.31Å; E193-K197 PolarHBondContact O-N 3.41Å; D194-K197 PolarHBondContact O-N 2.82Å; D194-K197 IonicContact OD1-NZ 3.95Å; D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 3.39Å; K197-Q200 PolarHBondContact O-N 3.1Å; K197-S201 WeakPolarHBondContact O-CB 3.5Å; K197-S201 PolarHBondContact O-N 2.79Å; K197-S201 PolarHBondContact O-OG 3.41Å
198L81.8Confident78.1Confident117 Ų117104.5 Ų104.561%0.61353%0.534SS*.Hα-helixtrans-64.8-47177.8-132.375.5000111.1D194 D195 Q200 S201 A202D194-L198 PolarHBondContact O-N 2.94Å; D195-L198 PolarHBondContact O-N 3.45Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.18Å; L198-S201 WeakPolarHBondContact CA-OG 3.47Å; L198-S201 PolarHBondContact O-N 3.29Å; L198-S201 VanDerWaalsContact O-N 3.13Å; L198-S201 PolarHBondContact O-OG 3.4Å; L198-A202 WeakPolarHBondContact O-CB 3.18Å; L198-A202 PolarHBondContact O-N 3.25Å
199A84.9Confident79.7Confident54 Ų54102 Ų10245%0.44652%0.518SS..Hα-helixtrans-59.1-42175.500000112.1D195 A202 Q203D195-A199 VanDerWaalsContact O-CB 3.25Å; D195-A199 WeakPolarHBondContact O-CB 3.47Å; D195-A199 PolarHBondContact O-N 2.78Å; A199-A202 PolarHBondContact O-N 2.88Å; A199-Q203 WeakPolarHBondContact O-CG 3.1Å; A199-Q203 PolarHBondContact O-N 2.92Å
200Q87Confident81.6Confident124 Ų124104 Ų10458%0.57952%0.519SS*.Hα-helixtrans-65.1-41.6174.7-172.6-179.9800111.8R196 K197 L198 Q203 M204R196-Q200 WeakPolarHBondContact O-CB 3.49Å; R196-Q200 PolarHBondContact O-N 2.7Å; K197-Q200 PolarHBondContact O-N 3.1Å; L198-Q200 VanDerWaalsContact C-N 3.33Å; L198-Q200 PolarHBondContact O-N 3.18Å; Q200-Q203 PolarHBondContact O-N 2.79Å; Q200-M204 VanDerWaalsContact O-CG 3.3Å; Q200-M204 WeakPolarHBondContact O-CG 3.24Å; Q200-M204 PolarHBondContact O-N 3.5Å; Q200-M204 VanDerWaalsContact O-N 3.09Å
201S87.2Confident83.2Confident65 Ų65104.8 Ų104.846%0.45552%0.518SS..Hα-helixtrans-66.2-36.8176.8760000112.5K197 L198 M204 Y205K197-S201 WeakPolarHBondContact O-CB 3.5Å; K197-S201 PolarHBondContact O-N 2.79Å; K197-S201 PolarHBondContact O-OG 3.41Å; L198-S201 WeakPolarHBondContact CA-OG 3.47Å; L198-S201 PolarHBondContact O-N 3.29Å; L198-S201 VanDerWaalsContact O-N 3.13Å; L198-S201 PolarHBondContact O-OG 3.4Å; S201-M204 PolarHBondContact O-N 3.32Å; S201-Y205 WeakPolarHBondContact O-CB 3.47Å; S201-Y205 PolarHBondContact O-N 3.44Å
202A87.7Confident84.7Confident43 Ų43108.3 Ų108.336%0.35553%0.527SS..Hα-helixtrans-66.9-41.717600000111.7L198 A199 M204 Y205 H206L198-A202 WeakPolarHBondContact O-CB 3.18Å; L198-A202 PolarHBondContact O-N 3.25Å; A199-A202 PolarHBondContact O-N 2.88Å; A202-M204 VanDerWaalsContact C-N 3.33Å; A202-M204 PolarHBondContact O-N 2.71Å; A202-Y205 PolarHBondContact O-N 2.85Å; A202-H206 PolarHBondContact O-CD2 2.86Å; A202-H206 PolarHBondContact O-N 3.27Å
203Q88.9Confident85.9Confident140 Ų140109.8 Ų109.865%0.65453%0.526SS*.Hα-helixtrans-60.2-43.8173.4-74.8178.97.800111.8A199 Q200 H206 Y207A199-Q203 WeakPolarHBondContact O-CG 3.1Å; A199-Q203 PolarHBondContact O-N 2.92Å; Q200-Q203 PolarHBondContact O-N 2.79Å; Q203-H206 PolarHBondContact O-N 3.05Å; Q203-Y207 PolarHBondContact O-N 2.73Å; Q203-Y207 VanDerWaalsContact O-N 3.07Å
204M87.8Confident86.4Confident116 Ų116111.1 Ų111.157%0.57153%0.534SS*.Hα-helixtrans-63.1-41.7176.3-71.9-90.8-84.400111.6Q200 S201 A202 Y207 Q208Q200-M204 VanDerWaalsContact O-CG 3.3Å; Q200-M204 WeakPolarHBondContact O-CG 3.24Å; Q200-M204 PolarHBondContact O-N 3.5Å; Q200-M204 VanDerWaalsContact O-N 3.09Å; S201-M204 PolarHBondContact O-N 3.32Å; A202-M204 VanDerWaalsContact C-N 3.33Å; A202-M204 PolarHBondContact O-N 2.71Å; M204-Y207 PolarHBondContact O-N 2.97Å; M204-Q208 WeakPolarHBondContact O-CG 3.16Å; M204-Q208 PolarHBondContact O-N 3.32Å
205Y92Very high86.6Confident142 Ų142110.3 Ų110.356%0.55753%0.529SS*.Hα-helixtrans-61.1-47.2176.3177.1-99000111.8S201 A202 Y207 Q208 H209S201-Y205 WeakPolarHBondContact O-CB 3.47Å; S201-Y205 PolarHBondContact O-N 3.44Å; A202-Y205 PolarHBondContact O-N 2.85Å; Y205-Y207 VanDerWaalsContact C-N 3.32Å; Y205-Y207 PolarHBondContact O-N 3.28Å; Y205-Q208 PolarHBondContact O-N 3.08Å; Y205-H209 WeakPolarHBondContact O-CB 3.49Å; Y205-H209 PolarHBondContact O-N 3.12Å
206H91.3Very high86.8Confident126 Ų126108.5 Ų108.558%0.58353%0.527SS*.Hα-helixtrans-60-41.8177.4-73.4-57.5000112.2A202 Q203 H209 Q210A202-H206 PolarHBondContact O-CD2 2.86Å; A202-H206 PolarHBondContact O-N 3.27Å; Q203-H206 PolarHBondContact O-N 3.05Å; H206-H209 PolarHBondContact O-N 3.46Å; H206-Q210 WeakPolarHBondContact O-CB 3.19Å; H206-Q210 PolarHBondContact O-N 3.34Å
207Y91.2Very high86.7Confident151 Ų151107.2 Ų107.259%0.59253%0.531SS*.Hα-helixtrans-63.1-45.1175.6178.1-102.1000112.4Q203 M204 Y205 H209 Q210 K211Q203-Y207 PolarHBondContact O-N 2.73Å; Q203-Y207 VanDerWaalsContact O-N 3.07Å; M204-Y207 PolarHBondContact O-N 2.97Å; Y205-Y207 VanDerWaalsContact C-N 3.32Å; Y205-Y207 PolarHBondContact O-N 3.28Å; Y207-H209 PolarHBondContact O-N 3.21Å; Y207-Q210 PolarHBondContact O-N 3.32Å; Y207-K211 WeakPolarHBondContact O-CB 3.35Å; Y207-K211 PolarHBondContact O-N 2.8Å
208Q91.7Very high86.2Confident115 Ų115107 Ų10754%0.53753%0.531SS..Hα-helixtrans-62.7-43.2177.7-74.9-179.7-23.400112M204 Y205 K211 Q212M204-Q208 WeakPolarHBondContact O-CG 3.16Å; M204-Q208 PolarHBondContact O-N 3.32Å; Y205-Q208 PolarHBondContact O-N 3.08Å; Q208-K211 PolarHBondContact O-N 3.05Å; Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 2.9Å
209H90.8Very high85.3Confident82 Ų82108.2 Ų108.238%0.3853%0.532SS..Hα-helixtrans-63.1-46.6177.5-175.8-98.6000111.5Y205 H206 Y207 K211 Q212 Q213Y205-H209 WeakPolarHBondContact O-CB 3.49Å; Y205-H209 PolarHBondContact O-N 3.12Å; H206-H209 PolarHBondContact O-N 3.46Å; Y207-H209 PolarHBondContact O-N 3.21Å; H209-K211 VanDerWaalsContact C-N 3.32Å; H209-K211 PolarHBondContact O-N 3.41Å; H209-Q212 PolarHBondContact O-N 3.41Å; H209-Q213 PolarHBondContact CE1-NE2 3.2Å; H209-Q213 WeakPolarHBondContact O-CG 3.39Å; H209-Q213 PolarHBondContact O-N 3.45Å
210Q90.9Very high84.1Confident116 Ų116109.9 Ų109.954%0.54254%0.536SS..Hα-helixtrans-61.3-40.1175.7-172.7178.813.800111.9H206 Y207 Q212 Q213 M214H206-Q210 WeakPolarHBondContact O-CB 3.19Å; H206-Q210 PolarHBondContact O-N 3.34Å; Y207-Q210 PolarHBondContact O-N 3.32Å; Q210-Q212 PolarHBondContact O-N 2.86Å; Q210-Q213 PolarHBondContact O-N 3.18Å; Q210-M214 PolarHBondContact O-N 2.89Å
211K92Very high82.7Confident122 Ų122107.7 Ų107.753%0.5353%0.529SS..Hα-helixtrans-62.4-41.6176.4-172.9-178.2178.9-176.50111.8Y207 Q208 H209 M214 L215Y207-K211 WeakPolarHBondContact O-CB 3.35Å; Y207-K211 PolarHBondContact O-N 2.8Å; Q208-K211 PolarHBondContact O-N 3.05Å; H209-K211 VanDerWaalsContact C-N 3.32Å; H209-K211 PolarHBondContact O-N 3.41Å; K211-M214 PolarHBondContact O-N 3.37Å; K211-L215 WeakPolarHBondContact O-CB 3.21Å; K211-L215 PolarHBondContact O-N 3.48Å
212Q90Very high81Confident139 Ų139109 Ų10965%0.6553%0.531SS*.Hα-helixtrans-64.8-41.1176.3-73.6178.5-2.800111.8Q208 H209 Q210 L215 A216Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 2.9Å; H209-Q212 PolarHBondContact O-N 3.41Å; Q210-Q212 PolarHBondContact O-N 2.86Å; Q212-L215 PolarHBondContact O-N 3.45Å; Q212-A216 WeakPolarHBondContact O-CB 3.45Å; Q212-A216 PolarHBondContact O-N 3.09Å
213Q88.3Confident79.2Confident105 Ų105113.7 Ų113.749%0.49155%0.545SS..Hα-helixtrans-61.7-43.8174.9-70.8-176.2-15.500112H209 Q210 A216 L217H209-Q213 PolarHBondContact CE1-NE2 3.2Å; H209-Q213 WeakPolarHBondContact O-CG 3.39Å; H209-Q213 PolarHBondContact O-N 3.45Å; Q210-Q213 PolarHBondContact O-N 3.18Å; Q213-A216 PolarHBondContact O-N 2.84Å; Q213-L217 WeakPolarHBondContact O-CB 3.48Å; Q213-L217 PolarHBondContact O-N 2.95Å
214M80.2Confident77.4Confident123 Ų123111.5 Ų111.561%0.60654%0.541SS*.Hα-helixtrans-62.4-44.7177.1-176.4179.1-70.600111.7Q210 K211 A216 L217 E218Q210-M214 PolarHBondContact O-N 2.89Å; K211-M214 PolarHBondContact O-N 3.37Å; M214-A216 VanDerWaalsContact C-N 3.3Å; M214-A216 PolarHBondContact O-N 2.95Å; M214-L217 PolarHBondContact O-N 3.5Å; M214-E218 WeakPolarHBondContact O-CB 3.23Å; M214-E218 PolarHBondContact O-N 2.88Å
215L80.2Confident75.4Confident79 Ų79115.7 Ų115.741%0.41455%0.55SS.*Hα-helixtrans-69.5-29.8-179.8-161.5138.1000112.2K211 Q212 K219K211-L215 WeakPolarHBondContact O-CB 3.21Å; K211-L215 PolarHBondContact O-N 3.48Å; Q212-L215 PolarHBondContact O-N 3.45Å; L215-K219 HydrophobicContact CD2-CD 4.21Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.43Å
216A77.7Confident73.2Confident53 Ų53115.3 Ų115.344%0.43856%0.556SS.*Hα-helixtrans-70-43.7170.900000111.7Q212 Q213 M214 K219 V220Q212-A216 WeakPolarHBondContact O-CB 3.45Å; Q212-A216 PolarHBondContact O-N 3.09Å; Q213-A216 PolarHBondContact O-N 2.84Å; M214-A216 VanDerWaalsContact C-N 3.3Å; M214-A216 PolarHBondContact O-N 2.95Å; A216-K219 PolarHBondContact O-N 3.07Å; A216-V220 WeakPolarHBondContact O-CG2 3.48Å; A216-V220 PolarHBondContact O-N 3.44Å; A216-V220 VanDerWaalsContact O-N 3.07Å
217L77Confident71.1Confident123 Ų123113.4 Ų113.464%0.64456%0.557SS**Hα-helixtrans-64.7-37.4175.3-88.2160000112.5Q213 M214 V220 N221Q213-L217 WeakPolarHBondContact O-CB 3.48Å; Q213-L217 PolarHBondContact O-N 2.95Å; M214-L217 PolarHBondContact O-N 3.5Å; L217-V220 PolarHBondContact O-N 2.71Å; L217-N221 WeakPolarHBondContact O-CB 3.49Å; L217-N221 PolarHBondContact O-N 3.31Å
218E72Confident68.8Low111 Ų111113.1 Ų113.152%0.51957%0.566SS.*Hα-helixtrans-63.5-45175.9-173.2175.3-169.800111.1M214 V220 N221 D222M214-E218 WeakPolarHBondContact O-CB 3.23Å; M214-E218 PolarHBondContact O-N 2.88Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.16Å; E218-N221 PolarHBondContact O-N 2.96Å; E218-N221 VanDerWaalsContact O-N 3.17Å; E218-D222 PolarHBondContact O-N 3.11Å
219K62.5Low66.6Low144 Ų144116.7 Ų116.763%0.62658%0.583SS**Hα-helixtrans-62.2-36174.4-75176.6177179.50113.1L215 A216 H223L215-K219 HydrophobicContact CD2-CD 4.21Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.43Å; A216-K219 PolarHBondContact O-N 3.07Å; K219-H223 PolarHBondContact O-N 2.89Å
220V60.1Low64.5Low89 Ų89120.1 Ų120.154%0.53960%0.604SS.*Hα-helixtrans-70.9-39.4175.2174.50000110.6A216 L217 E218 H223 T224A216-V220 WeakPolarHBondContact O-CG2 3.48Å; A216-V220 PolarHBondContact O-N 3.44Å; A216-V220 VanDerWaalsContact O-N 3.07Å; L217-V220 PolarHBondContact O-N 2.71Å; E218-V220 VanDerWaalsContact C-N 3.31Å; E218-V220 PolarHBondContact O-N 3.16Å; V220-H223 PolarHBondContact O-N 3.09Å; V220-T224 WeakPolarHBondContact O-CB 3.02Å; V220-T224 PolarHBondContact O-N 2.85Å; V220-T224 PolarHBondContact O-OG1 3.36Å
221N57.6Low62.1Low78 Ų78121.6 Ų121.642%0.41762%0.615SS.*Hα-helixtrans-69.9-34.3179.1-175.963.6000112.7L217 E218 H223 T224 R225L217-N221 WeakPolarHBondContact O-CB 3.49Å; L217-N221 PolarHBondContact O-N 3.31Å; E218-N221 PolarHBondContact O-N 2.96Å; E218-N221 VanDerWaalsContact O-N 3.17Å; N221-H223 VanDerWaalsContact C-N 3.35Å; N221-T224 PolarHBondContact O-N 3.01Å; N221-R225 PolarHBondContact O-N 3Å
222D52.2Low60Low93 Ų93120.1 Ų120.150%0.49762%0.62SS.*Hα-helixtrans-69.5-31.4174.2-77.8-16.3000112.4E218 I226E218-D222 PolarHBondContact O-N 3.11Å; D222-I226 WeakPolarHBondContact O-CD1 3.47Å
223H49.2Very low57.9Low141 Ų141121 Ų12165%0.65363%0.625SS**Hα-helixtrans-81-24.6175.1-132.437.4000113.5K219 V220 N221 R225 S227K219-H223 PolarHBondContact O-N 2.89Å; V220-H223 PolarHBondContact O-N 3.09Å; N221-H223 VanDerWaalsContact C-N 3.35Å; H223-R225 VanDerWaalsContact C-N 3.33Å; H223-S227 PolarHBondContact O-OG 3.29Å
224T50.2Low56.1Low93 Ų93122.4 Ų122.457%0.57164%0.635SS**Hα-helixtrans-78.3-17.1179.6-51.30000112.6V220 N221V220-T224 WeakPolarHBondContact O-CB 3.02Å; V220-T224 PolarHBondContact O-N 2.85Å; V220-T224 PolarHBondContact O-OG1 3.36Å; N221-T224 PolarHBondContact O-N 3.01Å
225R45.9Very low54.8Low205 Ų205124.3 Ų124.377%0.77465%0.648SS**THydrogen-bonded Turntrans-91.7-4.1177.5-72.1-175.8170.4-173.5-3.2115.1N221 H223N221-R225 PolarHBondContact O-N 3Å; H223-R225 VanDerWaalsContact C-N 3.33Å
226I46.8Very low53.4Low133 Ų133126.3 Ų126.368%0.68266%0.663SS**SBendtrans-117.8-0.6-174.7-53.3173.3000111.4D222 D228D222-I226 WeakPolarHBondContact O-CD1 3.47Å; I226-D228 PolarHBondContact O-N 3.01Å
227S46.3Very low52.4Low86 Ų86131.3 Ų131.360%0.60168%0.683SS**SBendtrans-89.19-171.8-66.70000115.9H223H223-S227 PolarHBondContact O-OG 3.29Å
228D42.5Very low51Low146 Ų146132.5 Ų132.578%0.78169%0.69SS**SBendtrans-121.459.2178.7-68.2-37.8000110.6I226I226-D228 PolarHBondContact O-N 3.01Å
229E46.2Very low50.4Low190 Ų190130.2 Ų130.289%0.88870%0.696SS**SBendtrans-178119.9156.3-101.5154.4-154.300111.5
230D45.7Very low50.1Low154 Ų154130.7 Ų130.782%0.82471%0.706SS**  trans88.1111.1148.6-135.114000120.3
231D40.6Very low49.9Very low146 Ų146135.7 Ų135.778%0.78172%0.72SS**  trans-88.3111172.8-178.925.3000107.4
232S48Very low50.6Low91 Ų91137.9 Ų137.964%0.63674%0.737SS**  trans-172.5109.2154.733.10000113.7
233E46.7Very low51.6Low159 Ų159139.1 Ų139.174%0.74375%0.748SS**  42.7131128.4-43.7-73174.600120.7
234D49.6Very low52.7Low133 Ų133141.5 Ų141.571%0.71175%0.752SS**  trans67.6104.1146.9-58-31.7000119.6
235D54Low54Low163 Ų163145.2 Ų145.287%0.87276%0.763SS**  -178142.4102.2-98.3-35.7000113.3
236V50Low55.1Low121 Ų121140 Ų14073%0.73376%0.757SS**  trans-66.9134.7-173.8-174.30000112.2
237D56.9Low56.5Low159 Ų159139 Ų13985%0.8576%0.759SS**  trans-147.7115.4143.6-162.730.7000111.3G239D237-G239 PolarHBondContact O-N 3.2Å
238D48.7Very low57.2Low148 Ų148138 Ų13879%0.79176%0.763SS**  trans-65.7107.8176.3-80.4-51.3000109.9
239G59.6Low58.1Low63 Ų63139.3 Ų139.365%0.64977%0.769SS**  trans-132.777.8-178.600000113.2D237 F241D237-G239 PolarHBondContact O-N 3.2Å; G239-F241 PolarHBondContact O-N 3.35Å
240D54.8Low58.8Low154 Ų154134.5 Ų134.582%0.82476%0.761SS**  trans24.967.4151-62.8-18.1000117.1T242D240-T242 VanDerWaalsContact C-N 3.29Å; D240-T242 PolarHBondContact O-N 2.98Å
241F57.4Low59.6Low193 Ų193135.1 Ų135.185%0.84676%0.764SS**  trans-77.187.5169.5-157.1-95.3000109.5G239 V243G239-F241 PolarHBondContact O-N 3.35Å; F241-V243 PolarHBondContact O-N 3.4Å
242T72Confident60.5Low124 Ų124134.6 Ų134.676%0.76177%0.767SS**  trans-56.8100.917353.90000110.4D240 Y244D240-T242 VanDerWaalsContact C-N 3.29Å; D240-T242 PolarHBondContact O-N 2.98Å; T242-Y244 PolarHBondContact O-N 3.17Å; T242-Y244 VanDerWaalsContact O-N 3.1Å
243V71.6Confident61.6Low120 Ų120132.7 Ų132.773%0.72776%0.761SS**  trans-68.7104.5168.6177.50000106.8F241 E245F241-V243 PolarHBondContact O-N 3.4Å; V243-E245 VanDerWaalsContact C-N 3.31Å; V243-E245 PolarHBondContact O-N 3.42Å
244Y72.7Confident62.9Low190 Ų190133.5 Ų133.575%0.74577%0.765SS**  trans-74.591.7168.5-171.3-101000108.4T242 C246T242-Y244 PolarHBondContact O-N 3.17Å; T242-Y244 VanDerWaalsContact O-N 3.1Å; Y244-C246 VanDerWaalsContact CD1-SG 3.57Å; Y244-C246 HydrophobicContact CE1-CB 4.46Å; Y244-C246 VanDerWaalsContact CE1-SG 3.53Å; Y244-C246 PolarHBondContact O-N 2.97Å; Y244-C246 VanDerWaalsContact O-N 3.16Å
245E77Confident64.1Low172 Ų172134 Ų13480%0.80477%0.766SS**  trans-73.7100.6170.5-163.4171.7-16200108V243 P247V243-E245 VanDerWaalsContact C-N 3.31Å; V243-E245 PolarHBondContact O-N 3.42Å; E245-P247 WeakPolarHBondContact O-CD 3.36Å
246C69.7Low65Low95 Ų95133.9 Ų133.964%0.64276%0.76SS**  trans-58.6122.1176.9-71.40000109.7Y244 G248Y244-C246 VanDerWaalsContact CD1-SG 3.57Å; Y244-C246 HydrophobicContact CE1-CB 4.46Å; Y244-C246 VanDerWaalsContact CE1-SG 3.53Å; Y244-C246 PolarHBondContact O-N 2.97Å; Y244-C246 VanDerWaalsContact O-N 3.16Å; C246-G248 PolarHBondContact O-N 2.92Å
247P75.6Confident66.2Low111 Ų111134 Ų13472%0.72176%0.761SS**  trans-67.3118.2178.825.4-31.3000110.4E245E245-P247 WeakPolarHBondContact O-CD 3.36Å
248G62.4Low67.1Low67 Ų67132.5 Ų132.569%0.69175%0.749SS**  trans51.495.6152.100000116.6C246 A250C246-G248 PolarHBondContact O-N 2.92Å; G248-A250 PolarHBondContact O-N 3.18Å
249L60.1Low68.4Low173 Ų173128.8 Ų128.891%0.90673%0.729SS**  trans-47.1117.6148.3-83.9147.4000107.6N251L249-N251 PolarHBondContact O-N 3.41Å
250A61.1Low69.4Low88 Ų88131.6 Ų131.673%0.72774%0.736SS**  trans-48.2136.3174.900000109.1G248 T252G248-A250 PolarHBondContact O-N 3.18Å; A250-T252 PolarHBondContact O-N 2.99Å
251N63.7Low70.2Confident167 Ų167132.9 Ų132.989%0.89374%0.735SS**  trans-40.1116.2-179.8-84.76.3000110.2L249 G253L249-N251 PolarHBondContact O-N 3.41Å; N251-G253 PolarHBondContact O-N 3.37Å
252T59.8Low70.7Confident136 Ų136130.8 Ų130.883%0.83473%0.725SS**  trans-70.568169.9-26.70000107.9A250 E254A250-T252 PolarHBondContact O-N 2.99Å; T252-E254 PolarHBondContact O-N 3.12Å
253G70Confident70.7Confident50 Ų50131.4 Ų131.452%0.51572%0.724SS.*  trans-58.3132.9158.600000106.4N251 I255N251-G253 PolarHBondContact O-N 3.37Å; G253-I255 VanDerWaalsContact C-N 3.27Å; G253-I255 PolarHBondContact O-N 3.26Å
254E73.3Confident70.2Confident177 Ų177129.3 Ų129.383%0.82772%0.715SS**  trans-41.888.5172.856.6-157.2165.600111.2T252 E256T252-E254 PolarHBondContact O-N 3.12Å; E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.1Å; E254-E256 VanDerWaalsContact O-N 3.09Å
255I75.5Confident69.5Low143 Ų143126.4 Ų126.473%0.73371%0.712SS**  trans-85.584.8175.6-169.1164000106.1G253 V257G253-I255 VanDerWaalsContact C-N 3.27Å; G253-I255 PolarHBondContact O-N 3.26Å; I255-V257 HydrophobicContact CG1-CG2 4.29Å; I255-V257 PolarHBondContact O-N 3.3Å
256E73.7Confident68.5Low160 Ų160125.7 Ų125.775%0.74871%0.714SS**  trans-65.2102166-69.2-176.3166.300107.4E254 E258E254-E256 VanDerWaalsContact C-N 3.28Å; E254-E256 PolarHBondContact O-N 3.1Å; E254-E256 VanDerWaalsContact O-N 3.09Å; E256-E258 PolarHBondContact O-N 2.95Å
257V74Confident67.4Low124 Ų124128.4 Ų128.475%0.75272%0.722SS**  trans-80.691.6170.2-178.30000106.6I255 N259I255-V257 HydrophobicContact CG1-CG2 4.29Å; I255-V257 PolarHBondContact O-N 3.3Å; V257-N259 PolarHBondContact O-N 3.32Å
258E77.3Confident66Low127 Ų127132 Ų13259%0.59373%0.726SS**  trans-69.9126.4168.2-71.4-155.314900109.4E256 S264E256-E258 PolarHBondContact O-N 2.95Å; E258-S264 VanDerWaalsContact CD-OG 3.29Å; E258-S264 WeakPolarHBondContact OE1-CB 3.4Å; E258-S264 PolarHBondContact OE1-OG 3.42Å
259N75.1Confident65.2Low71 Ų71137.4 Ų137.438%0.3873%0.731SS.*  trans-81.2124.5174.1166.51.8000108.2V257 F261 F262V257-N259 PolarHBondContact O-N 3.32Å; N259-F261 PolarHBondContact O-N 2.92Å; N259-F261 VanDerWaalsContact OD1-CD2 3.32Å; N259-F261 WeakPolarHBondContact OD1-CD2 3.39Å; N259-F261 PolarHBondContact OD1-N 3.39Å; N259-F262 HydrophobicContact CB-CD2 3.8Å; N259-F262 HydrophobicContact CB-CE2 4.2Å; N259-F262 VanDerWaalsContact ND2-CE2 3.27Å; N259-F262 WeakPolarHBondContact ND2-CE2 3.49Å; N259-F262 PolarHBondContact O-N 2.96Å
260P80.1Confident64.4Low122 Ų122135.6 Ų135.679%0.79272%0.722SS**THydrogen-bonded Turntrans-63.2-5-175.725.4-34.7000115
261F72Confident63.6Low181 Ų181138.2 Ų138.279%0.79472%0.724SS**THydrogen-bonded Turntrans-88.3-5.3172-69-72000114.4N259N259-F261 PolarHBondContact O-N 2.92Å; N259-F261 VanDerWaalsContact OD1-CD2 3.32Å; N259-F261 WeakPolarHBondContact OD1-CD2 3.39Å; N259-F261 PolarHBondContact OD1-N 3.39Å
262F69Low62.6Low148 Ų148136.4 Ų136.465%0.64971%0.714SS**SBendtrans-112.5108.8175.4-61.7-73.3000109.4N259 S264N259-F262 HydrophobicContact CB-CD2 3.8Å; N259-F262 HydrophobicContact CB-CE2 4.2Å; N259-F262 VanDerWaalsContact ND2-CE2 3.27Å; N259-F262 WeakPolarHBondContact ND2-CE2 3.49Å; N259-F262 PolarHBondContact O-N 2.96Å; F262-S264 PolarHBondContact O-N 2.76Å; F262-S264 VanDerWaalsContact O-N 3.15Å
263D70.7Confident62.2Low138 Ų138138 Ų13874%0.73872%0.717SS**  trans-66.7111.7167.4-64.5-43000108.4D265D263-D265 HydrophobicContact CB-CB 4.49Å; D263-D265 PolarHBondContact O-N 3.22Å
264S61.7Low61.2Low75 Ų75142.2 Ų142.252%0.52473%0.728SS.*  trans-71.843.9170.8-61.90000111.8E258 F262E258-S264 VanDerWaalsContact CD-OG 3.29Å; E258-S264 WeakPolarHBondContact OE1-CB 3.4Å; E258-S264 PolarHBondContact OE1-OG 3.42Å; F262-S264 PolarHBondContact O-N 2.76Å; F262-S264 VanDerWaalsContact O-N 3.15Å
265D58.5Low59.9Low129 Ų129140.7 Ų140.769%0.6973%0.726SS**  trans-108.762.1-177.4-80.6-25.1000111D263D263-D265 HydrophobicContact CB-CB 4.49Å; D263-D265 PolarHBondContact O-N 3.22Å
266N54.4Low58.6Low158 Ų158140.4 Ų140.485%0.84573%0.726SS**SBendtrans-113.936.7162.9-80.1-52.9000111.6
267N47.1Very low57.1Low151 Ų151140.2 Ų140.281%0.80773%0.73SS**SBendtrans-166.166.3161-134-36.9000114.6
268K46.7Very low55.5Low187 Ų187138.4 Ų138.481%0.81374%0.736SS**  trans-157.8109.5158.4-112.9154.1-170.7169.80113.2
269K45.8Very low53.8Low180 Ų180135.7 Ų135.778%0.78374%0.743SS**  trans56.6106140.1-86.1174.3167.5174.10117.9
270N42.5Very low52.6Low136 Ų136141.3 Ų141.373%0.72777%0.767SS**  39.3100.3105.5-51.8-6000116.4
271N44.1Very low51.1Low143 Ų143145.3 Ų145.377%0.76577%0.772SS**  149.3132.1114.7-82.2-45.2000110.3
272N43.8Very low49.7Very low129 Ų129141 Ų14169%0.6977%0.77SS**  trans49.9104.8150.9-68.2-21.2000116.8
273D51.2Low48.8Very low168 Ų168141.3 Ų141.390%0.89878%0.777SS**  -153.9124.9118.7-88.9-30.7000110.4
274N49.3Very low47.4Very low140 Ų140141.7 Ų141.775%0.74978%0.779SS**  trans-77.9129.6177.1-62.7-56.6000109
275N46.2Very low46.8Very low145 Ų145143 Ų14378%0.77579%0.785SS**  trans175101131.8-88.4-27.2000112.2
276N48.1Very low46.2Very low136 Ų136142.1 Ų142.173%0.72779%0.788SS**  39.1116.8124.8-65.2-16.4000120.9
277N42.2Very low45.4Very low156 Ų156138.5 Ų138.583%0.83479%0.788SS**  trans109.2112130-64.2-19.8000119.4
278G40.2Very low45.3Very low86 Ų86136.8 Ų136.889%0.88779%0.788SS**  trans95.7115.115800000112.9
279G40.7Very low45.6Very low71 Ų71133.1 Ų133.173%0.73279%0.786SS**  cis131.578.227.900000108.1
280E51.1Low45.7Very low189 Ų189128.1 Ų128.188%0.88379%0.786SS**  trans42108.6144.9-54.7177.1171.700120.1
281K47.5Very low46Very low205 Ų205130.3 Ų130.389%0.89179%0.792SS**  -178.597.2115.4-100.7-172.4-173.2-166.70110.3
282A43.4Very low46.2Very low92 Ų92131.6 Ų131.676%0.7680%0.798SS**  trans-78.8123.4158.200000108.1
283L49.4Very low46.4Very low154 Ų154132.6 Ų132.681%0.80680%0.802SS**  trans-107.894.3162.2-147.888.3000107.3T285L283-T285 HydrophobicContact CD2-CG2 4.24Å; L283-T285 HydrophobicContact CG-CG2 4.35Å
284N41.2Very low45.9Very low145 Ų145127.5 Ų127.578%0.77579%0.788SS**  trans-88.6103166.850.6-13.1000108
285T48.7Very low45.7Very low104 Ų104127.2 Ų127.264%0.63880%0.796SS**  trans-118.2101.9164.758.40000108.2L283L283-T285 HydrophobicContact CD2-CG2 4.24Å; L283-T285 HydrophobicContact CG-CG2 4.35Å
286S46.2Very low45.9Very low110 Ų110125.1 Ų125.177%0.76979%0.793SS**  trans20.5110.6133.848.40000114.6
287G37.1Very low46Very low82 Ų82126.6 Ų126.685%0.84580%0.8SS**  68.464.474.100000110.2
288S46.2Very low46.3Very low115 Ų115127.2 Ų127.280%0.80480%0.803SS**  trans-106.6101.6169.9-171.80000107.9
289S51.9Low46.7Very low109 Ų109131 Ų13176%0.76280%0.803SS**  trans-41.2131.4168.535.10000112.5E291S289-E291 PolarHBondContact O-N 2.77Å
290G47.9Very low47.2Very low76 Ų76136.1 Ų136.178%0.78481%0.808SS**  trans-63.7119.1168.400000110.2L292G290-L292 PolarHBondContact O-N 3.46Å
291E50.4Low47Very low181 Ų181134.8 Ų134.885%0.84680%0.801SS**  trans-81.1109.7168.8-165172.2161.500107.7S289 I293S289-E291 PolarHBondContact O-N 2.77Å; E291-I293 PolarHBondContact O-N 3.21Å
292L48.5Very low46.8Very low171 Ų171133.4 Ų133.490%0.89580%0.802SS**  trans-65.897.1167.5-73.9162.7000107.7G290 G294G290-L292 PolarHBondContact O-N 3.46Å; L292-G294 PolarHBondContact O-N 3.27Å; L292-G294 VanDerWaalsContact O-N 3.14Å
293I47.5Very low46.8Very low150 Ų150135.5 Ų135.577%0.76980%0.798SS**  trans-71.3107.1165-62.9174.9000106.4E291E291-I293 PolarHBondContact O-N 3.21Å
294G40.1Very low46.3Very low60 Ų60134.9 Ų134.962%0.61980%0.796SS**  trans-61.2135.3177.500000111.7L292 S296L292-G294 PolarHBondContact O-N 3.27Å; L292-G294 VanDerWaalsContact O-N 3.14Å; G294-S296 VanDerWaalsContact C-N 3.34Å; G294-S296 PolarHBondContact O-N 3.26Å
295C45Very low46.2Very low135 Ų135134.3 Ų134.391%0.91280%0.802SS**SBendtrans-71.185.2173.9-58.20000109.8
296S50.1Low46.2Very low101 Ų101135.9 Ų135.971%0.70681%0.811SS**  trans-157.373.5170.9-59.70000109G294G294-S296 VanDerWaalsContact C-N 3.34Å; G294-S296 PolarHBondContact O-N 3.26Å
297D51.7Low45.8Very low166 Ų166136.8 Ų136.889%0.88881%0.808SS**  trans-167.619.6169.5-92.4-23.8000114.5
298L48.1Very low46Very low170 Ų170140.8 Ų140.889%0.8981%0.81SS**  trans-128.657.4179.9-76.7168.2000112.4
299D47.3Very low45.5Very low165 Ų165139 Ų13988%0.88281%0.81SS**  trans-108.874.3162-79.2-38.3000109.4
300E51.3Low44.9Very low178 Ų178142.1 Ų142.183%0.83281%0.81SS**SBendtrans-169.7138.5155-121.717416600109.2
301H47.1Very low44.5Very low162 Ų162142.1 Ų142.175%0.7580%0.802SS**  trans86.146.6-176.3-72.9-81.1000118.7I303H301-I303 VanDerWaalsContact C-N 3.34Å
302I43.9Very low44Very low176 Ų176139.9 Ų139.990%0.90380%0.796SS**  trans-97.664.5146.3-53.4179.6000108.6
303I43Very low43.8Very low135 Ų135138.3 Ų138.369%0.69279%0.788SS**  trans-147.9109.6162.7-53.2178.8000103.4H301H301-I303 VanDerWaalsContact C-N 3.34Å
304D38.9Very low43.4Very low142 Ų142141.1 Ų141.176%0.75980%0.795SS**SBendtrans157.110.6156-78.2-10.9000116.5
305C40.3Very low43.5Very low133 Ų133143 Ų14390%0.89980%0.799SS**  trans-1097.6-180-64.20000116.5
306V47.2Very low43.1Very low137 Ų137144 Ų14483%0.8380%0.795SS**SBendtrans-85.6-11.2-178.5173.80000113.7
307N39.5Very low42.5Very low129 Ų129147.5 Ų147.569%0.6981%0.805SS**SBendtrans-126.996.3-176.7-62.6-43.7000109.5
308N41.4Very low41.7Very low166 Ų166145.8 Ų145.889%0.88880%0.801SS**  trans167.9100.7139.3-78.3-28.2000112
309G33.9Very low41.2Very low78 Ų78143.9 Ų143.980%0.80480%0.796SS**  trans36.9102.9140.200000120.3
310F39.1Very low40.6Very low174 Ų174143.2 Ų143.276%0.76379%0.793SS**  trans-141.159.3147-154.3-96.2000110.2
311A40.1Very low39.8Very low76 Ų76140.4 Ų140.463%0.62879%0.788SS**  trans-79.6143.8131.600000103.4
312D39.3Very low39.2Very low134 Ų134138.9 Ų138.972%0.71779%0.79SS**  cis-169.5105.936.52.9-75.5000104.1
313D45.1Very low38.9Very low137 Ų137137.3 Ų137.373%0.73379%0.789SS**  trans-161.621.4175.3-103-20.3000115
314F39.8Very low38.7Very low210 Ų210136.1 Ų136.192%0.92179%0.793SS**  trans-115.168.7173.1-86.7-85.6000111
315S41.3Very low38.7Very low100 Ų100133.1 Ų133.170%0.69980%0.796SS**  trans-139.337.717561.70000112.6
316N37.2Very low38.3Very low154 Ų154135.5 Ų135.582%0.82479%0.793SS**  trans-154.767.6169.3-82.6-46.6000111.7
317L37.1Very low37.8Very low176 Ų176133.7 Ų133.792%0.92179%0.793SS**  trans-150.582.5154.2-151.564.5000110
318T35.4Very low37.5Very low130 Ų130132.6 Ų132.680%0.79879%0.791SS**PPolyproline II helixtrans-67.6136.4172.9-630000110.5
319T36.5Very low37.1Very low129 Ų129132.4 Ų132.479%0.79179%0.789SS**PPolyproline II helixtrans-59.4136.4-176.830.70000115.3
320N36.3Very low37.2Very low151 Ų151134.1 Ų134.181%0.80778%0.784SS**PPolyproline II helixtrans-101123.2161.7-81.6-16.5000110.5
321T33.7Very low37Very low120 Ų120132.6 Ų132.674%0.73679%0.79SS**  trans67103.5137.4620000121.1
322T33.5Very low37.1Very low129 Ų129134.6 Ų134.679%0.79179%0.794SS**  54.8106.1117.1-42.90000119.7
323T38.4Very low37Very low144 Ų144133.9 Ų133.988%0.88380%0.795SS**  trans-137.3113.6143.7-55.50000109.7
324S38.3Very low36.6Very low109 Ų109133 Ų13376%0.76279%0.794SS**  trans-70.7140.1164.651.50000110.9
325G39.7Very low36.4Very low80 Ų80128.4 Ų128.483%0.82578%0.784SS**  trans160.879.3170.300000113.7
326E32.3Very low36.3Very low182 Ų182130 Ų13085%0.8579%0.789SS**  trans-60.6129.3176.4-172.8-178163.500113.2
327A35.2Very low36.3Very low99 Ų99128.7 Ų128.782%0.81879%0.787SS**  trans-155.288.2155.300000109.6
328T34.3Very low36.5Very low107 Ų107126.1 Ų126.166%0.65678%0.78SS**  trans-52.4129.9163.5-57.30000110.5
329L33.1Very low36.6Very low161 Ų161125.8 Ų125.884%0.84378%0.779SS**  -169.6125.3119.5-115.698000112.4
330T34.6Very low36.9Very low114 Ų114124.5 Ų124.570%0.69977%0.772SS**  trans-38.7126.5170.1-40.50000114.8
331T36.3Very low37Very low143 Ų143125 Ų12588%0.87777%0.773SS**  trans-101.9106.9162.3-610000108.1
332T41.6Very low37.1Very low117 Ų117128.1 Ų128.172%0.71878%0.779SS**  trans-108.3133.6166.6-53.50000109
333T38.1Very low37.5Very low119 Ų119127 Ų12773%0.7378%0.777SS**  trans-44146.7176.13.90000117.3
334T35.6Very low37.9Very low118 Ų118127.1 Ų127.172%0.72477%0.767SS**  trans89.5107.7133.1-54.40000119.6
335T35.7Very low38.1Very low115 Ų115129.9 Ų129.971%0.70677%0.766SS**  95.3128.7127.5-64.10000121.7
336T38.8Very low38.4Very low133 Ų133130.5 Ų130.582%0.81676%0.758SS**  trans81.2106.8154.716.60000121.2
337V38.4Very low39.1Very low126 Ų126131.1 Ų131.176%0.76476%0.76SS**  trans-52.1148150.7-177.90000109.1
338P40Very low39.6Very low122 Ų122131.3 Ų131.379%0.79276%0.762SS**  -152158.457.338-14.3000120
339T39.1Very low40.3Very low124 Ų124130.9 Ų130.976%0.76177%0.77SS**  trans-69.8-178.9158.6-1.10000111.3
340P41Very low41.3Very low102 Ų102128.7 Ų128.766%0.66277%0.768SS**  cis-131.1-173.4-22.228.3-5.3000111.9
341I40.3Very low41.9Very low161 Ų161136.2 Ų136.283%0.82679%0.791SS**  trans156.2141130.7-73.2154.4000111.4
342Q35.8Very low42.2Very low185 Ų185135.9 Ų135.986%0.86479%0.786SS**  trans-57.6157.2-175.2-50.2-18012.900116.2
343S41.1Very low42.2Very low106 Ų106136.8 Ų136.874%0.74179%0.79SS**  trans157.6101140.5176.20000108.4
344E45.7Very low42.5Very low146 Ų146137.8 Ų137.868%0.68279%0.793SS**  88.6122.791.8-147.9-168.7136.500113.9
345K44.3Very low42.9Very low167 Ų167139 Ų13973%0.72680%0.797SS**  trans86.4124.4142.4-104.1-177.4-171.7132.50123.2
346S45.2Very low43.3Very low94 Ų94140.5 Ų140.566%0.65780%0.803SS**  99.296.5127.1-68.60000119.9
347Q47Very low43.6Very low194 Ų194141 Ų14191%0.90780%0.802SS**  28.6131119.7-75.8-179.1-9.700121
348A45.2Very low44Very low104 Ų104142.1 Ų142.186%0.8681%0.805SS**  trans143.5136.4135.900000108.3
349A49.9Very low44.3Very low98 Ų98143.6 Ų143.681%0.8181%0.806SS**  cis-171.51693.300000108.2
350S53.3Low44.7Very low114 Ų114145.3 Ų145.380%0.79781%0.81SS**  trans94.784.6153.4-152.70000119
351K47.9Very low45.1Very low272 Ų272149.2 Ų149.2100%1.18382%0.823SS**  -172.2096.6-105.8-178.5-179179.40111.5

Retrieved 351 of 351 residues in 48.6 ms (Link to these results)