G4VIG3_SCHMA Loading...

Ribonucleoside-diphosphate reductase

Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.

AlphaFold DB , UniProt , Accession G4VIG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 837 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
1M44.4Very low54.3Low150 Ų15084.2 Ų84.274%0.73942%0.417SS*.  0133.30-72.4174.8-155.400107.5Q5 R9M1-Q5 HydrophobicContact CB-CB 4.13Å; M1-Q5 HydrophobicContact CG-CB 4.48Å; M1-R9 VanDerWaalsContact CE-NH1 3.32Å
2S49.1Very low54.6Low62 Ų6279.5 Ų79.543%0.43440%0.399SS..  trans-63.3156.6168.359.70000110G4 Q5 K6S2-G4 PolarHBondContact O-N 3.26Å; S2-Q5 PolarHBondContact O-N 2.99Å; S2-Q5 PolarHBondContact OG-N 2.91Å; S2-K6 PolarHBondContact O-N 3.22Å; S2-K6 VanDerWaalsContact O-N 3.12Å
3S53Low54.9Low79 Ų7978.3 Ų78.355%0.55242%0.419SS*.Hα-helixtrans-48.7-43.2176.153.50000111.7Q5 K6 L7S3-Q5 PolarHBondContact O-N 3.42Å; S3-K6 PolarHBondContact O-N 3.12Å; S3-L7 PolarHBondContact O-N 3Å; S3-L7 VanDerWaalsContact O-N 3.09Å
4G52.7Low55.2Low3 Ų377.1 Ų77.13%0.03141%0.411CS..Hα-helixtrans-62.7-38.8177.100000114.6S2 K6 L8S2-G4 PolarHBondContact O-N 3.26Å; G4-K6 VanDerWaalsContact C-N 3.34Å; G4-L8 PolarHBondContact O-N 3.2Å; G4-L8 VanDerWaalsContact O-N 3.08Å
5Q51.8Low55.4Low112 Ų11279.3 Ų79.352%0.52342%0.424SS..Hα-helixtrans-68-34.9174.9-82.5179.4-22.200112.1M1 S2 S3 R9M1-Q5 HydrophobicContact CB-CB 4.13Å; M1-Q5 HydrophobicContact CG-CB 4.48Å; S2-Q5 PolarHBondContact O-N 2.99Å; S2-Q5 PolarHBondContact OG-N 2.91Å; S3-Q5 PolarHBondContact O-N 3.42Å; Q5-R9 WeakPolarHBondContact O-CB 3.05Å; Q5-R9 PolarHBondContact O-N 3.3Å
6K54.4Low55.9Low126 Ų12685.7 Ų85.755%0.54845%0.446SS..Hα-helixtrans-66.3-45.2178-156-175.7-179.9-1680111.2S2 S3 G4 R9 E10S2-K6 PolarHBondContact O-N 3.22Å; S2-K6 VanDerWaalsContact O-N 3.12Å; S3-K6 PolarHBondContact O-N 3.12Å; G4-K6 VanDerWaalsContact C-N 3.34Å; K6-R9 PolarHBondContact O-N 3.06Å; K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 3.49Å
7L58.3Low56.9Low66 Ų6681.4 Ų81.435%0.34642%0.424SS..Hα-helixtrans-61.8-43.4175.2-75.5156.6000112.3S3 R9 E10 F11S3-L7 PolarHBondContact O-N 3Å; S3-L7 VanDerWaalsContact O-N 3.09Å; L7-R9 VanDerWaalsContact C-N 3.35Å; L7-R9 PolarHBondContact O-N 3.09Å; L7-E10 PolarHBondContact O-N 3.44Å; L7-F11 HydrophobicContact CB-CD2 4.24Å; L7-F11 HydrophobicContact CB-CE2 4.1Å; L7-F11 HydrophobicContact CD2-CD2 4.26Å; L7-F11 HydrophobicContact CD2-CE2 3.33Å; L7-F11 HydrophobicContact CD2-CZ 3.78Å; L7-F11 HydrophobicContact CG-CE2 4.32Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 WeakPolarHBondContact O-CG 3.47Å; L7-F11 PolarHBondContact O-N 3.08Å
8L56.6Low58.3Low16 Ų1682.4 Ų82.48%0.08442%0.422CS..Hα-helixtrans-58.5-47.2175-95.6147000111.5G4 F11 S12 I17 I29 V60G4-L8 PolarHBondContact O-N 3.2Å; G4-L8 VanDerWaalsContact O-N 3.08Å; L8-F11 PolarHBondContact O-N 2.84Å; L8-S12 PolarHBondContact O-N 3.2Å; L8-S12 PolarHBondContact O-OG 3.18Å; L8-I17 HydrophobicContact CD2-CB 4.45Å; L8-I17 HydrophobicContact CD2-CD1 4.04Å; L8-I29 WeakPolarHBondContact CD1-O 3.47Å; L8-I29 HydrophobicContact CD2-CG2 4.28Å; L8-V60 HydrophobicContact CD2-CG1 4.38Å
9R56.9Low59.5Low117 Ų11778.5 Ų78.544%0.44240%0.402SS..Hα-helixtrans-64.8-43179.6-143.8-176.6-164-161.14.7112.1M1 Q5 K6 L7 G13 D15M1-R9 VanDerWaalsContact CE-NH1 3.32Å; Q5-R9 WeakPolarHBondContact O-CB 3.05Å; Q5-R9 PolarHBondContact O-N 3.3Å; K6-R9 PolarHBondContact O-N 3.06Å; L7-R9 VanDerWaalsContact C-N 3.35Å; L7-R9 PolarHBondContact O-N 3.09Å; R9-G13 WeakPolarHBondContact O-CA 3.38Å; R9-G13 PolarHBondContact O-N 3.46Å; R9-G13 VanDerWaalsContact O-N 3.14Å; R9-D15 IonicContact CZ-OD1 3.13Å; R9-D15 IonicContact NE-OD1 3.54Å; R9-D15 PolarHBondContact NE-OD1 3.32Å; R9-D15 VanDerWaalsContact NH2-CG 3.31Å; R9-D15 IonicContact NH2-OD1 2.91Å; R9-D15 PolarHBondContact NH2-OD1 2.84Å; R9-D15 IonicContact NH2-OD2 3.14Å; R9-D15 PolarHBondContact NH2-OD2 3.03Å; R9-D15 VanDerWaalsContact NH2-OD2 3.1Å
10E59.2Low60.6Low131 Ų13176.5 Ų76.561%0.61239%0.394SS*.Hα-helixtrans-63.9-36.3177.4-87.5176.217800112.9K6 L7K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 3.49Å; L7-E10 PolarHBondContact O-N 3.44Å
11F60.7Low61.7Low64 Ų6475.8 Ų75.828%0.28139%0.388SS..Hα-helixtrans-96-28.9-173.1-63.9-43.4000115.5L7 L8 K57 V60L7-F11 HydrophobicContact CB-CD2 4.24Å; L7-F11 HydrophobicContact CB-CE2 4.1Å; L7-F11 HydrophobicContact CD2-CD2 4.26Å; L7-F11 HydrophobicContact CD2-CE2 3.33Å; L7-F11 HydrophobicContact CD2-CZ 3.78Å; L7-F11 HydrophobicContact CG-CE2 4.32Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 WeakPolarHBondContact O-CD2 3.35Å; L7-F11 WeakPolarHBondContact O-CG 3.47Å; L7-F11 PolarHBondContact O-N 3.08Å; L8-F11 PolarHBondContact O-N 2.84Å; F11-K57 HydrophobicContact CD1-CD 4.14Å; F11-K57 HydrophobicContact CD1-CG 3.94Å; F11-K57 HydrophobicContact CD2-CG 4.49Å; F11-K57 HydrophobicContact CE1-CD 3.66Å; F11-K57 HydrophobicContact CE1-CG 3.9Å; F11-K57 HydrophobicContact CE2-CG 4.4Å; F11-K57 HydrophobicContact CG-CG 4.27Å; F11-K57 HydrophobicContact CZ-CD 3.97Å; F11-K57 HydrophobicContact CZ-CG 4.13Å; F11-V60 HydrophobicContact CB-CG1 3.91Å
12S57.6Low63.3Low28 Ų2873.3 Ų73.320%0.19637%0.37CS..Hα-helixtrans-110-20-178.473.80000114.2L8 I14 I17L8-S12 PolarHBondContact O-N 3.2Å; L8-S12 PolarHBondContact O-OG 3.18Å; S12-I14 VanDerWaalsContact C-N 3.26Å; S12-I14 PolarHBondContact O-N 2.96Å; S12-I14 PolarHBondContact OG-N 3.02Å; S12-I17 VanDerWaalsContact OG-CD1 3.27Å; S12-I17 WeakPolarHBondContact OG-CD1 3.42Å
13G58.8Low64.9Low64 Ų6474.9 Ų74.966%0.6637%0.374SS*.  trans72.110-173.800000115.3R9R9-G13 WeakPolarHBondContact O-CA 3.38Å; R9-G13 PolarHBondContact O-N 3.46Å; R9-G13 VanDerWaalsContact O-N 3.14Å
14I59Low66.1Low61 Ų6173.6 Ų73.631%0.31337%0.373SS..  trans-115.9130.8-174.4-56.3174.2000111.7S12 K16 I17 P65S12-I14 VanDerWaalsContact C-N 3.26Å; S12-I14 PolarHBondContact O-N 2.96Å; S12-I14 PolarHBondContact OG-N 3.02Å; I14-K16 PolarHBondContact O-N 3.42Å; I14-I17 HydrophobicContact CB-CD1 4.06Å; I14-I17 HydrophobicContact CB-CG1 3.84Å; I14-I17 HydrophobicContact CD1-CD1 4.3Å; I14-I17 HydrophobicContact CD1-CG1 4.49Å; I14-I17 HydrophobicContact CG2-CG1 3.8Å; I14-P65 HydrophobicContact CD1-CG 4.24Å; I14-P65 HydrophobicContact CG2-CG 4.07Å
15D58.3Low67.7Low111 Ų11181.4 Ų81.459%0.59440%0.402SS*.SBendtrans-71-28.4-173-85.2-4.3000115.4R9R9-D15 IonicContact CZ-OD1 3.13Å; R9-D15 IonicContact NE-OD1 3.54Å; R9-D15 PolarHBondContact NE-OD1 3.32Å; R9-D15 VanDerWaalsContact NH2-CG 3.31Å; R9-D15 IonicContact NH2-OD1 2.91Å; R9-D15 PolarHBondContact NH2-OD1 2.84Å; R9-D15 IonicContact NH2-OD2 3.14Å; R9-D15 PolarHBondContact NH2-OD2 3.03Å; R9-D15 VanDerWaalsContact NH2-OD2 3.1Å
16K63.6Low69.1Low181 Ų18181.2 Ų81.279%0.78740%0.404SS*.  trans-146.199.7177.3-71-175.1-177.2175.10111I14I14-K16 PolarHBondContact O-N 3.42Å
17I72.5Confident70.5Confident13 Ų1378 Ų787%0.06739%0.391CS..  trans-98.3126.9168.3-51-178.6000108.6L8 S12 I14 I29 L63L8-I17 HydrophobicContact CD2-CB 4.45Å; L8-I17 HydrophobicContact CD2-CD1 4.04Å; S12-I17 VanDerWaalsContact OG-CD1 3.27Å; S12-I17 WeakPolarHBondContact OG-CD1 3.42Å; I14-I17 HydrophobicContact CB-CD1 4.06Å; I14-I17 HydrophobicContact CB-CG1 3.84Å; I14-I17 HydrophobicContact CD1-CD1 4.3Å; I14-I17 HydrophobicContact CD1-CG1 4.49Å; I14-I17 HydrophobicContact CG2-CG1 3.8Å; I17-I29 HydrophobicContact CB-CD1 4.36Å; I17-I29 HydrophobicContact CB-CG1 4.48Å; I17-I29 HydrophobicContact CG2-CB 4.49Å; I17-I29 HydrophobicContact CG2-CD1 3.42Å; I17-I29 VanDerWaalsContact CG2-CD1 3.42Å; I17-I29 HydrophobicContact CG2-CG1 3.98Å; I17-I29 PolarHBondContact O-N 3.44Å; I17-I29 VanDerWaalsContact O-N 3.08Å; I17-L63 HydrophobicContact CD1-CB 4.45Å
18Y81.8Confident71.5Confident100 Ų10077.6 Ų77.639%0.39240%0.397SS..EExtended strand (participates in β ladder)trans-118.2147.1171.962.8-87.2000110V20 N26 E27 P65 G66Y18-V20 HydrophobicContact CE2-CG2 4.29Å; Y18-N26 HydrophobicContact CD2-CB 4.04Å; Y18-E27 CarbonylContact C-O 3.48Å; Y18-E27 WeakPolarHBondContact CA-O 3.2Å; Y18-E27 WeakPolarHBondContact CB-O 3.31Å; Y18-P65 HydrophobicContact CE1-CB 4.17Å; Y18-G66 PolarHBondContact O-N 3.3Å
19V82.1Confident72.5Confident8 Ų877.4 Ų77.45%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-100.5138.1172.964.30000109.2E27 I29 V67V19-E27 HydrophobicContact CG1-CB 4.13Å; V19-E27 PolarHBondContact N-O 2.85Å; V19-E27 PolarHBondContact O-N 3.16Å; V19-I29 HydrophobicContact CB-CD1 3.98Å; V19-I29 HydrophobicContact CB-CG1 3.85Å; V19-I29 HydrophobicContact CG1-CG1 4.25Å; V19-V67 CarbonylContact C-O 3.44Å; V19-V67 VanDerWaalsContact CA-O 3.23Å; V19-V67 WeakPolarHBondContact CA-O 3.39Å; V19-V67 HydrophobicContact CG2-CG1 4.42Å; V19-V67 WeakPolarHBondContact CG2-O 3.2Å
20V82.2Confident73.6Confident37 Ų3775.2 Ų75.222%0.22439%0.391CS..EExtended strand (participates in β ladder)trans-86.5117.6169-1740000108.2Y18 G66 V67 T68 T69Y18-V20 HydrophobicContact CE2-CG2 4.29Å; V20-G66 WeakPolarHBondContact CG2-O 3.35Å; V20-V67 PolarHBondContact N-O 2.94Å; V20-T68 HydrophobicContact CB-CG2 4.4Å; V20-T68 CarbonylContact O-C 3.6Å; V20-T68 WeakPolarHBondContact O-CA 3.41Å; V20-T69 PolarHBondContact O-N 2.95Å; V20-T69 PolarHBondContact O-OG1 2.82Å
21K83.4Confident74.6Confident63 Ų6369.4 Ų69.427%0.27436%0.364SS..PPolyproline II helixtrans-69.6161.7176.6-69.1-64.9-173.4178.20111.2D23 G24 R25 E27 T69K21-D23 WeakPolarHBondContact CB-OD1 3.2Å; K21-D23 PolarHBondContact O-N 3.16Å; K21-D23 VanDerWaalsContact O-N 3.14Å; K21-G24 PolarHBondContact O-N 3.4Å; K21-R25 HydrophobicContact CB-CB 4.41Å; K21-R25 WeakPolarHBondContact CB-O 3.27Å; K21-R25 WeakPolarHBondContact CG-O 3.25Å; K21-R25 PolarHBondContact N-O 2.87Å; K21-E27 WeakPolarHBondContact CE-OE2 3.46Å; K21-E27 IonicContact NZ-OE2 3.24Å; K21-E27 PolarHBondContact NZ-OE2 3.33Å; K21-T69 WeakPolarHBondContact CA-OG1 3.34Å
22R77.7Confident75.7Confident98 Ų9871.7 Ų71.737%0.3738%0.376SS..THydrogen-bonded Turntrans-60.2-22.3176.1-64.7-178.4-17980.13.1113V70 D73 N101R22-V70 HydrophobicContact CG-CG2 4.28Å; R22-D73 IonicContact CZ-OD2 3.13Å; R22-D73 IonicContact NH2-OD2 2.6Å; R22-D73 PolarHBondContact NH2-OD2 3.16Å; R22-N101 PolarHBondContact NH2-OD1 3.11Å
23D81.7Confident77Confident94 Ų9475.7 Ų75.750%0.50339%0.39SS..THydrogen-bonded Turntrans-91.75.5174.564.49000113.6K21 R25K21-D23 WeakPolarHBondContact CB-OD1 3.2Å; K21-D23 PolarHBondContact O-N 3.16Å; K21-D23 VanDerWaalsContact O-N 3.14Å; D23-R25 WeakPolarHBondContact OD1-CB 3.33Å; D23-R25 PolarHBondContact OD1-N 3.33Å; D23-R25 VanDerWaalsContact OD1-N 3.07Å; D23-R25 IonicContact OD1-NE 2.66Å; D23-R25 PolarHBondContact OD1-NE 3.26Å; D23-R25 IonicContact OD2-CZ 2.77Å; D23-R25 IonicContact OD2-NE 2.57Å; D23-R25 PolarHBondContact OD2-NE 3.28Å; D23-R25 IonicContact OD2-NH2 2.82Å; D23-R25 PolarHBondContact OD2-NH2 3.18Å
24G79.3Confident78.4Confident52 Ų5273.2 Ų73.254%0.53636%0.361SS..SBendtrans86.8-5.6179.100000115.5K21K21-G24 PolarHBondContact O-N 3.4Å
25R85.2Confident79.9Confident168 Ų16871.7 Ų71.763%0.63435%0.354SS*.  trans-73143.1178.8-67-175.3-67.6166.5-5.2112.2K21 D23K21-R25 HydrophobicContact CB-CB 4.41Å; K21-R25 WeakPolarHBondContact CB-O 3.27Å; K21-R25 WeakPolarHBondContact CG-O 3.25Å; K21-R25 PolarHBondContact N-O 2.87Å; D23-R25 WeakPolarHBondContact OD1-CB 3.33Å; D23-R25 PolarHBondContact OD1-N 3.33Å; D23-R25 VanDerWaalsContact OD1-N 3.07Å; D23-R25 IonicContact OD1-NE 2.66Å; D23-R25 PolarHBondContact OD1-NE 3.26Å; D23-R25 IonicContact OD2-CZ 2.77Å; D23-R25 IonicContact OD2-NE 2.57Å; D23-R25 PolarHBondContact OD2-NE 3.28Å; D23-R25 IonicContact OD2-NH2 2.82Å; D23-R25 PolarHBondContact OD2-NH2 3.18Å
26N82.6Confident81.5Confident107 Ų10774.1 Ų74.157%0.57236%0.36SS*.EExtended strand (participates in β ladder)trans-87.3129.1171.2-66-18.3000110Y18Y18-N26 HydrophobicContact CD2-CB 4.04Å
27E83Confident82.8Confident60 Ų6067.6 Ų67.628%0.2833%0.33SS..EExtended strand (participates in β ladder)trans-127.7143.1173.3-162.3-170.9145.400109.7Y18 V19 K21 I29 K33Y18-E27 CarbonylContact C-O 3.48Å; Y18-E27 WeakPolarHBondContact CA-O 3.2Å; Y18-E27 WeakPolarHBondContact CB-O 3.31Å; V19-E27 HydrophobicContact CG1-CB 4.13Å; V19-E27 PolarHBondContact N-O 2.85Å; V19-E27 PolarHBondContact O-N 3.16Å; K21-E27 WeakPolarHBondContact CE-OE2 3.46Å; K21-E27 IonicContact NZ-OE2 3.24Å; K21-E27 PolarHBondContact NZ-OE2 3.33Å; E27-I29 PolarHBondContact O-N 3.44Å; E27-K33 IonicContact OE1-NZ 3.1Å; E27-K33 PolarHBondContact OE1-NZ 2.95Å
28A80.6Confident83.7Confident57 Ų5767 Ų6747%0.47133%0.327SS..EExtended strand (participates in β ladder)trans-60.7138.5171.600000110.5H30A28-H30 PolarHBondContact O-CD2 2.87Å; A28-H30 VanDerWaalsContact O-CD2 3.26Å
29I77Confident84.2Confident11 Ų1167.8 Ų67.86%0.05633%0.33CS..  trans-74.5135.9173.8-60.6-163.4000109L8 I17 V19 E27 I34 L63 V67L8-I29 WeakPolarHBondContact CD1-O 3.47Å; L8-I29 HydrophobicContact CD2-CG2 4.28Å; I17-I29 HydrophobicContact CB-CD1 4.36Å; I17-I29 HydrophobicContact CB-CG1 4.48Å; I17-I29 HydrophobicContact CG2-CB 4.49Å; I17-I29 HydrophobicContact CG2-CD1 3.42Å; I17-I29 VanDerWaalsContact CG2-CD1 3.42Å; I17-I29 HydrophobicContact CG2-CG1 3.98Å; I17-I29 PolarHBondContact O-N 3.44Å; I17-I29 VanDerWaalsContact O-N 3.08Å; V19-I29 HydrophobicContact CB-CD1 3.98Å; V19-I29 HydrophobicContact CB-CG1 3.85Å; V19-I29 HydrophobicContact CG1-CG1 4.25Å; E27-I29 PolarHBondContact O-N 3.44Å; I29-I34 HydrophobicContact CG2-CD1 3.9Å; I29-L63 HydrophobicContact CD1-CD1 3.9Å; I29-L63 HydrophobicContact CG2-CD1 4.04Å; I29-V67 HydrophobicContact CD1-CG1 3.73Å
30H79.1Confident84.7Confident72 Ų7270.1 Ų70.133%0.33335%0.35SS..  trans-125.3119.2173.6-66.6-85000108.7A28 E32 K33 I34A28-H30 PolarHBondContact O-CD2 2.87Å; A28-H30 VanDerWaalsContact O-CD2 3.26Å; H30-E32 PolarHBondContact O-N 3.07Å; H30-K33 HydrophobicContact CB-CB 4.38Å; H30-K33 HydrophobicContact CB-CD 4.33Å; H30-K33 HydrophobicContact CB-CG 4.08Å; H30-K33 WeakPolarHBondContact O-CB 3.34Å; H30-K33 PolarHBondContact O-N 2.99Å; H30-I34 PolarHBondContact O-N 2.91Å
31C80.3Confident85.2Confident8 Ų869.4 Ų69.45%0.05434%0.344CS..Hα-helixtrans-52-41.5178-67.10000112K33 I34 T35C31-K33 PolarHBondContact O-N 3.12Å; C31-I34 WeakPolarHBondContact O-CA 3.12Å; C31-I34 WeakPolarHBondContact O-CB 3.28Å; C31-I34 PolarHBondContact O-N 3.07Å; C31-T35 PolarHBondContact O-N 3.04Å; C31-T35 PolarHBondContact O-OG1 3.17Å
32E84.2Confident85.7Confident112 Ų11266.5 Ų66.552%0.52333%0.332SS..Hα-helixtrans-56.2-35.1177.9-66.9156.7-165.900112.9H30 K36H30-E32 PolarHBondContact O-N 3.07Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 PolarHBondContact O-N 2.99Å
33K85.6Confident86.3Confident113 Ų11366.6 Ų66.649%0.49133%0.333SS..Hα-helixtrans-70.9-37.5176.1-71.2-172.4-179-175.70111.7E27 H30 C31 R37E27-K33 IonicContact OE1-NZ 3.1Å; E27-K33 PolarHBondContact OE1-NZ 2.95Å; H30-K33 HydrophobicContact CB-CB 4.38Å; H30-K33 HydrophobicContact CB-CD 4.33Å; H30-K33 HydrophobicContact CB-CG 4.08Å; H30-K33 WeakPolarHBondContact O-CB 3.34Å; H30-K33 PolarHBondContact O-N 2.99Å; C31-K33 PolarHBondContact O-N 3.12Å; K33-R37 VanDerWaalsContact O-CB 3.24Å; K33-R37 WeakPolarHBondContact O-CB 3.13Å; K33-R37 PolarHBondContact O-N 3.36Å
34I86.9Confident86.6Confident12 Ų1266 Ų666%0.06235%0.349CS..Hα-helixtrans-66.3-49.3175.8-58.9172.5000109.4I29 H30 C31 K36 R37 I38 T56 V59 V60 L63 L72I29-I34 HydrophobicContact CG2-CD1 3.9Å; H30-I34 PolarHBondContact O-N 2.91Å; C31-I34 WeakPolarHBondContact O-CA 3.12Å; C31-I34 WeakPolarHBondContact O-CB 3.28Å; C31-I34 PolarHBondContact O-N 3.07Å; I34-K36 PolarHBondContact O-N 3.08Å; I34-R37 WeakPolarHBondContact O-CB 3.49Å; I34-R37 PolarHBondContact O-N 3.1Å; I34-R37 VanDerWaalsContact O-N 3.16Å; I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 WeakPolarHBondContact O-CG1 3.22Å; I34-I38 PolarHBondContact O-N 2.77Å; I34-T56 HydrophobicContact CB-CG2 4.25Å; I34-T56 HydrophobicContact CG2-CG2 4.07Å; I34-V59 HydrophobicContact CG2-CG1 4.13Å; I34-V60 HydrophobicContact CD1-CG2 3.92Å; I34-L63 HydrophobicContact CD1-CD1 3.91Å; I34-L72 HydrophobicContact CD1-CD1 4.05Å; I34-L72 HydrophobicContact CG1-CD1 4.41Å; I34-L72 HydrophobicContact CG1-CD2 4.37Å
35T90.8Very high87.1Confident28 Ų2864.3 Ų64.317%0.17233%0.328CS..Hα-helixtrans-57.3-48.7175.8-53.20000111.5C31 R37 I38 R39 V52 T56C31-T35 PolarHBondContact O-N 3.04Å; C31-T35 PolarHBondContact O-OG1 3.17Å; T35-R37 VanDerWaalsContact C-N 3.27Å; T35-R37 PolarHBondContact O-N 2.66Å; T35-I38 PolarHBondContact O-N 3.14Å; T35-R39 WeakPolarHBondContact O-CB 3.42Å; T35-R39 PolarHBondContact O-N 2.96Å; T35-V52 HydrophobicContact CG2-CG1 3.92Å; T35-T56 VanDerWaalsContact OG1-CG2 3.29Å; T35-T56 WeakPolarHBondContact OG1-CG2 3.3Å; T35-T56 PolarHBondContact OG1-OG1 3.41Å
36K91.1Very high87.1Confident163 Ų16359.7 Ų59.771%0.70932%0.315SS*.Hα-helixtrans-59.3-39.6178.2-174.5177.1-176.9176.20111.8E32 I34 A40E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 PolarHBondContact O-N 2.99Å; I34-K36 PolarHBondContact O-N 3.08Å; K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.47Å; K36-A40 PolarHBondContact O-N 3.4Å
37R91Very high87.1Confident44 Ų4460 Ų6017%0.16631%0.314CS..Hα-helixtrans-64.6-45178.2171.166-175.3118.93.1112.2K33 I34 T35 M41 D73 S100K33-R37 VanDerWaalsContact O-CB 3.24Å; K33-R37 WeakPolarHBondContact O-CB 3.13Å; K33-R37 PolarHBondContact O-N 3.36Å; I34-R37 WeakPolarHBondContact O-CB 3.49Å; I34-R37 PolarHBondContact O-N 3.1Å; I34-R37 VanDerWaalsContact O-N 3.16Å; T35-R37 VanDerWaalsContact C-N 3.27Å; T35-R37 PolarHBondContact O-N 2.66Å; R37-M41 VanDerWaalsContact NH1-CE 3.32Å; R37-M41 PolarHBondContact NH1-SD 3.48Å; R37-D73 IonicContact NE-OD1 3.84Å; R37-D73 PolarHBondContact NE-OD1 3.24Å; R37-D73 IonicContact NH2-OD1 3.82Å; R37-S100 PolarHBondContact NH2-OG 2.83Å
38I92.6Very high87.2Confident1 Ų161.4 Ų61.41%0.00533%0.33CS..Hα-helixtrans-67.2-48.5178.1-64.1162.4000109.8I34 T35 A40 M41 C42 V52 V55 L93I34-I38 HydrophobicContact CG2-CD1 3.84Å; I34-I38 WeakPolarHBondContact O-CG1 3.22Å; I34-I38 PolarHBondContact O-N 2.77Å; T35-I38 PolarHBondContact O-N 3.14Å; I38-A40 VanDerWaalsContact C-N 3.28Å; I38-A40 PolarHBondContact O-N 3.21Å; I38-M41 PolarHBondContact O-N 2.68Å; I38-C42 PolarHBondContact O-N 2.91Å; I38-C42 PolarHBondContact O-SG 3.25Å; I38-V52 HydrophobicContact CB-CG1 4.03Å; I38-V52 HydrophobicContact CG2-CG1 3.81Å; I38-V52 HydrophobicContact CG2-CG2 4.39Å; I38-V55 HydrophobicContact CD1-CB 4.41Å; I38-V55 HydrophobicContact CD1-CG1 3.73Å; I38-V55 HydrophobicContact CG2-CG1 4.44Å; I38-L93 HydrophobicContact CG2-CD1 4.45Å; I38-L93 HydrophobicContact CG2-CD2 4.05Å
39R93Very high87.5Confident116 Ų11662.5 Ų62.544%0.43832%0.322SS..Hα-helixtrans-58.4-39.2178.5-167.8169.4-72.6156.5-1112.1T35 M41 C42 V52T35-R39 WeakPolarHBondContact O-CB 3.42Å; T35-R39 PolarHBondContact O-N 2.96Å; R39-M41 PolarHBondContact O-N 3Å; R39-M41 VanDerWaalsContact O-N 3.13Å; R39-C42 WeakPolarHBondContact O-CB 3.46Å; R39-C42 PolarHBondContact O-N 3.32Å; R39-V52 HydrophobicContact CB-CG1 4.34Å
40A91.7Very high88.1Confident57 Ų5762.4 Ų62.447%0.47132%0.321SS..THydrogen-bonded Turntrans-61-21.4175.400000114.1K36 I38 Y43K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.47Å; K36-A40 PolarHBondContact O-N 3.4Å; I38-A40 VanDerWaalsContact C-N 3.28Å; I38-A40 PolarHBondContact O-N 3.21Å; A40-Y43 WeakPolarHBondContact O-CD1 3.39Å
41M93Very high88.8Confident22 Ų2262.8 Ų62.811%0.10833%0.326CS..THydrogen-bonded Turntrans-93.2-3175.9-61.7-67.89300113.4R37 I38 R39 Y43 L93 R96 L97 Y157R37-M41 VanDerWaalsContact NH1-CE 3.32Å; R37-M41 PolarHBondContact NH1-SD 3.48Å; I38-M41 PolarHBondContact O-N 2.68Å; R39-M41 PolarHBondContact O-N 3Å; R39-M41 VanDerWaalsContact O-N 3.13Å; M41-Y43 VanDerWaalsContact C-N 3.3Å; M41-Y43 PolarHBondContact O-N 3.36Å; M41-L93 HydrophobicContact CB-CD1 3.59Å; M41-R96 HydrophobicContact CB-CB 4.23Å; M41-R96 VanDerWaalsContact O-CD 3.3Å; M41-R96 WeakPolarHBondContact O-CD 3.43Å; M41-R96 PolarHBondContact O-NH1 3.41Å; M41-R96 HydrophobicContact SD-CB 4.24Å; M41-L97 HydrophobicContact CG-CD2 3.9Å; M41-L97 HydrophobicContact CG-CG 4.33Å; M41-Y157 HydrophobicContact SD-CE1 4.27Å
42C92.3Very high89.3Confident1 Ų162.8 Ų62.81%0.00733%0.326CS..  trans-84.82.3-179.4-60.40000113.7I38 R39 G44 L45I38-C42 PolarHBondContact O-N 2.91Å; I38-C42 PolarHBondContact O-SG 3.25Å; R39-C42 WeakPolarHBondContact O-CB 3.46Å; R39-C42 PolarHBondContact O-N 3.32Å; C42-G44 PolarHBondContact O-N 3.36Å; C42-L45 WeakPolarHBondContact O-CB 3.08Å; C42-L45 PolarHBondContact O-N 3.33Å
43Y91.1Very high89.7Confident100 Ų10063.9 Ų63.939%0.39233%0.331SS..THydrogen-bonded Turntrans-54.7128.5-178.167.2-87.3000112.5A40 M41 L45 R96A40-Y43 WeakPolarHBondContact O-CD1 3.39Å; M41-Y43 VanDerWaalsContact C-N 3.3Å; M41-Y43 PolarHBondContact O-N 3.36Å; Y43-L45 PolarHBondContact O-N 3.08Å; Y43-L45 VanDerWaalsContact O-N 3.17Å; Y43-R96 PolarHBondContact O-NH1 3.35Å; Y43-R96 PolarHBondContact O-NH2 3.23Å
44G88.7Confident89.9Confident82 Ų8259.6 Ų59.685%0.84532%0.317SS*.THydrogen-bonded Turntrans66.69.3-178.600000115.2C42C42-G44 PolarHBondContact O-N 3.36Å
45L89.4Confident90.1Very high17 Ų1759 Ų599%0.08931%0.314CS..SBendtrans-92152.7163.8-54.4-177.7000108.4C42 Y43 E47 I50 E89 I92 L93C42-L45 WeakPolarHBondContact O-CB 3.08Å; C42-L45 PolarHBondContact O-N 3.33Å; Y43-L45 PolarHBondContact O-N 3.08Å; Y43-L45 VanDerWaalsContact O-N 3.17Å; L45-E47 PolarHBondContact O-N 3.35Å; L45-I50 HydrophobicContact CB-CD1 3.59Å; L45-I50 HydrophobicContact CD1-CD1 3.4Å; L45-I50 VanDerWaalsContact CD1-CD1 3.4Å; L45-I50 HydrophobicContact CG-CD1 4.11Å; L45-E89 HydrophobicContact CD2-CG 4.44Å; L45-I92 HydrophobicContact CD2-CB 4.13Å; L45-I92 HydrophobicContact CD2-CD1 4.16Å; L45-I92 HydrophobicContact CD2-CG2 3.89Å; L45-L93 HydrophobicContact CD1-CB 3.99Å
46N85.3Confident90.2Very high70 Ų7058.1 Ų58.137%0.37431%0.308SS..  trans-77.7103.5174.2-173.3-4.7000110.2S48 Y49 E89N46-S48 PolarHBondContact ND2-OG 3.24Å; N46-S48 VanDerWaalsContact ND2-OG 3.12Å; N46-S48 PolarHBondContact O-N 2.92Å; N46-S48 WeakPolarHBondContact OD1-CB 3.42Å; N46-S48 PolarHBondContact OD1-N 2.85Å; N46-S48 VanDerWaalsContact OD1-N 3.07Å; N46-S48 PolarHBondContact OD1-OG 3.2Å; N46-Y49 HydrophobicContact CB-CD2 3.74Å; N46-Y49 HydrophobicContact CB-CE2 4.07Å; N46-Y49 VanDerWaalsContact ND2-CE2 3.31Å; N46-Y49 WeakPolarHBondContact ND2-CE2 3.24Å; N46-Y49 PolarHBondContact O-N 2.9Å; N46-E89 PolarHBondContact N-OE1 3.43Å; N46-E89 VanDerWaalsContact N-OE1 3.08Å; N46-E89 PolarHBondContact N-OE2 2.8Å
47E82.5Confident90.1Very high115 Ų11555.8 Ų55.854%0.53730%0.298SS..THydrogen-bonded Turntrans-60.8-16.7-179.5-64.6-168.2-166.500113.4L45 Y49 I50L45-E47 PolarHBondContact O-N 3.35Å; E47-Y49 PolarHBondContact O-N 3.46Å; E47-I50 PolarHBondContact O-N 2.98Å
48S85.7Confident90Very high88 Ų8859.1 Ų59.162%0.61531%0.311SS*.THydrogen-bonded Turntrans-63.9-25.1172.7740000113.1N46N46-S48 PolarHBondContact ND2-OG 3.24Å; N46-S48 VanDerWaalsContact ND2-OG 3.12Å; N46-S48 PolarHBondContact O-N 2.92Å; N46-S48 WeakPolarHBondContact OD1-CB 3.42Å; N46-S48 PolarHBondContact OD1-N 2.85Å; N46-S48 VanDerWaalsContact OD1-N 3.07Å; N46-S48 PolarHBondContact OD1-OG 3.2Å
49Y87.1Confident89.9Confident81 Ų8159 Ų5932%0.31831%0.31SS..THydrogen-bonded Turntrans-97.6-11.1178.8-55.9-47.1000113.2N46 E47 H87 Y90 T668N46-Y49 HydrophobicContact CB-CD2 3.74Å; N46-Y49 HydrophobicContact CB-CE2 4.07Å; N46-Y49 VanDerWaalsContact ND2-CE2 3.31Å; N46-Y49 WeakPolarHBondContact ND2-CE2 3.24Å; N46-Y49 PolarHBondContact O-N 2.9Å; E47-Y49 PolarHBondContact O-N 3.46Å; Y49-H87 AromaticContact CD2-CD2 3.93Å; Y49-H87 AromaticContact CD2-CE1 3.34Å; Y49-H87 WeakPolarHBondContact CD2-CE1 3.41Å; Y49-H87 AromaticContact CD2-ND1 3.72Å; Y49-H87 AromaticContact CD2-NE2 3.46Å; Y49-H87 WeakPolarHBondContact CD2-NE2 3.32Å; Y49-H87 AromaticContact CE2-CE1 3.82Å; Y49-H87 AromaticContact CE2-NE2 3.64Å; Y49-H87 AromaticContact CG-CD2 3.79Å; Y49-H87 AromaticContact CG-CE1 3.9Å; Y49-H87 AromaticContact CG-CG 3.85Å; Y49-H87 AromaticContact CG-ND1 3.89Å; Y49-H87 AromaticContact CG-NE2 3.84Å; Y49-Y90 VanDerWaalsContact O-CE2 3.23Å; Y49-Y90 WeakPolarHBondContact O-CE2 3.47Å; Y49-T668 HydrophobicContact CD1-CG2 4.18Å; Y49-T668 HydrophobicContact CE1-CG2 3.45Å; Y49-T668 VanDerWaalsContact CE1-CG2 3.45Å
50I89.7Confident89.6Confident8 Ų853.6 Ų53.64%0.04129%0.29CS..  trans-113.7101.9-175.2-57.7-178.2000110.7L45 E47 V52 E89 Y90 L93L45-I50 HydrophobicContact CB-CD1 3.59Å; L45-I50 HydrophobicContact CD1-CD1 3.4Å; L45-I50 VanDerWaalsContact CD1-CD1 3.4Å; L45-I50 HydrophobicContact CG-CD1 4.11Å; E47-I50 PolarHBondContact O-N 2.98Å; I50-V52 HydrophobicContact CG2-CG2 4.02Å; I50-V52 PolarHBondContact O-N 3.18Å; I50-V52 VanDerWaalsContact O-N 3.16Å; I50-E89 HydrophobicContact CD1-CB 4.14Å; I50-E89 HydrophobicContact CG1-CB 4.43Å; I50-Y90 HydrophobicContact CG2-CE1 4.03Å; I50-L93 HydrophobicContact CD1-CD2 4.41Å; I50-L93 HydrophobicContact CG2-CD2 3.75Å
51D92.1Very high89.3Confident80 Ų8054.4 Ų54.443%0.42829%0.292SS..  trans-80.492.6168-173-14.9000111.2E53 A54 V55 Y90D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 2.96Å; D51-E53 PolarHBondContact OD1-N 2.57Å; D51-A54 HydrophobicContact CB-CB 3.96Å; D51-A54 PolarHBondContact OD1-N 2.91Å; D51-A54 WeakPolarHBondContact OD2-CB 3.43Å; D51-V55 WeakPolarHBondContact O-CG2 3.48Å; D51-V55 PolarHBondContact O-N 3.26Å; D51-Y90 PolarHBondContact N-OH 3.2Å
52V92.4Very high88.8Confident8 Ų855.2 Ų55.25%0.04831%0.306CS..Hα-helixtrans-64.2-30.9177.8178.10000112.1T35 I38 R39 I50 T56T35-V52 HydrophobicContact CG2-CG1 3.92Å; I38-V52 HydrophobicContact CB-CG1 4.03Å; I38-V52 HydrophobicContact CG2-CG1 3.81Å; I38-V52 HydrophobicContact CG2-CG2 4.39Å; R39-V52 HydrophobicContact CB-CG1 4.34Å; I50-V52 HydrophobicContact CG2-CG2 4.02Å; I50-V52 PolarHBondContact O-N 3.18Å; I50-V52 VanDerWaalsContact O-N 3.16Å; V52-T56 WeakPolarHBondContact O-CB 3.46Å; V52-T56 PolarHBondContact O-N 2.72Å; V52-T56 PolarHBondContact O-OG1 3.43Å
53E91.2Very high88.5Confident135 Ų13555.6 Ų55.663%0.63131%0.308SS*.Hα-helixtrans-73.6-43.7-178.3-64.4-174.3178.400110.5D51 V55 T56 K57D51-E53 VanDerWaalsContact C-N 3.26Å; D51-E53 PolarHBondContact O-N 2.96Å; D51-E53 PolarHBondContact OD1-N 2.57Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 2.73Å; E53-T56 PolarHBondContact O-N 2.66Å; E53-K57 WeakPolarHBondContact O-CB 3.29Å; E53-K57 PolarHBondContact O-N 3.19Å
54A90.2Very high88.1Confident24 Ų2456.1 Ų56.120%0.19831%0.31CS..Hα-helixtrans-60.6-42172.700000112.2D51 K57 R58 M83D51-A54 HydrophobicContact CB-CB 3.96Å; D51-A54 PolarHBondContact OD1-N 2.91Å; D51-A54 WeakPolarHBondContact OD2-CB 3.43Å; A54-K57 PolarHBondContact O-N 2.92Å; A54-R58 WeakPolarHBondContact O-CG 3.42Å; A54-R58 PolarHBondContact O-N 3.33Å; A54-R58 VanDerWaalsContact O-N 3.08Å; A54-M83 HydrophobicContact CB-CE 4.48Å
55V92.1Very high87.8Confident0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-60.5-50.1173.51770000109.7I38 D51 E53 K57 R58 V59 T79 C80 M83 Y90I38-V55 HydrophobicContact CD1-CB 4.41Å; I38-V55 HydrophobicContact CD1-CG1 3.73Å; I38-V55 HydrophobicContact CG2-CG1 4.44Å; D51-V55 WeakPolarHBondContact O-CG2 3.48Å; D51-V55 PolarHBondContact O-N 3.26Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 2.73Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 3.18Å; V55-R58 PolarHBondContact O-N 2.99Å; V55-V59 HydrophobicContact CG1-CG2 4.21Å; V55-V59 WeakPolarHBondContact O-CG2 3.42Å; V55-V59 PolarHBondContact O-N 3.42Å; V55-T79 HydrophobicContact CG1-CG2 4.23Å; V55-C80 VanDerWaalsContact CG1-SG 3.58Å; V55-M83 HydrophobicContact CG2-CE 4.2Å; V55-M83 HydrophobicContact CG2-SD 3.67Å; V55-Y90 HydrophobicContact CG2-CD1 4.4Å; V55-Y90 HydrophobicContact CG2-CE1 3.66Å
56T91.4Very high87.4Confident8 Ų855 Ų555%0.04929%0.293CS..Hα-helixtrans-57.3-46.8-179.3-57.50000110.8I34 T35 V52 E53 R58 V59 V60I34-T56 HydrophobicContact CB-CG2 4.25Å; I34-T56 HydrophobicContact CG2-CG2 4.07Å; T35-T56 VanDerWaalsContact OG1-CG2 3.29Å; T35-T56 WeakPolarHBondContact OG1-CG2 3.3Å; T35-T56 PolarHBondContact OG1-OG1 3.41Å; V52-T56 WeakPolarHBondContact O-CB 3.46Å; V52-T56 PolarHBondContact O-N 2.72Å; V52-T56 PolarHBondContact O-OG1 3.43Å; E53-T56 PolarHBondContact O-N 2.66Å; T56-R58 PolarHBondContact O-N 3.16Å; T56-V59 PolarHBondContact O-N 2.93Å; T56-V60 HydrophobicContact CG2-CG2 4.06Å; T56-V60 WeakPolarHBondContact O-CB 3.24Å; T56-V60 VanDerWaalsContact O-CG2 3.24Å; T56-V60 WeakPolarHBondContact O-CG2 3.47Å; T56-V60 PolarHBondContact O-N 2.82Å
57K89.1Confident87.5Confident115 Ų11551.8 Ų51.850%0.528%0.276SS..Hα-helixtrans-59.1-45.2-179.9-177.1174.6174.1174.60111.7F11 E53 A54 V55 V60 S61F11-K57 HydrophobicContact CD1-CD 4.14Å; F11-K57 HydrophobicContact CD1-CG 3.94Å; F11-K57 HydrophobicContact CD2-CG 4.49Å; F11-K57 HydrophobicContact CE1-CD 3.66Å; F11-K57 HydrophobicContact CE1-CG 3.9Å; F11-K57 HydrophobicContact CE2-CG 4.4Å; F11-K57 HydrophobicContact CG-CG 4.27Å; F11-K57 HydrophobicContact CZ-CD 3.97Å; F11-K57 HydrophobicContact CZ-CG 4.13Å; E53-K57 WeakPolarHBondContact O-CB 3.29Å; E53-K57 PolarHBondContact O-N 3.19Å; A54-K57 PolarHBondContact O-N 2.92Å; V55-K57 VanDerWaalsContact C-N 3.32Å; V55-K57 PolarHBondContact O-N 3.18Å; K57-V60 PolarHBondContact O-N 2.78Å; K57-S61 PolarHBondContact O-N 2.88Å; K57-S61 PolarHBondContact O-OG 3.26Å
58R90.1Very high87.7Confident113 Ų11348.5 Ų48.543%0.42626%0.263SS..Hα-helixtrans-63.4-44176.1-73179.7-178.6-159.5-2.2112A54 V55 T56 V60 S61 G62 T79A54-R58 WeakPolarHBondContact O-CG 3.42Å; A54-R58 PolarHBondContact O-N 3.33Å; A54-R58 VanDerWaalsContact O-N 3.08Å; V55-R58 PolarHBondContact O-N 2.99Å; T56-R58 PolarHBondContact O-N 3.16Å; R58-V60 PolarHBondContact O-N 3.43Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-N 2.99Å; R58-S61 PolarHBondContact O-OG 2.95Å; R58-G62 PolarHBondContact O-N 2.98Å; R58-T79 HydrophobicContact CB-CG2 3.55Å; R58-T79 HydrophobicContact CG-CG2 4.47Å
59V89.6Confident87.8Confident0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-60.2-48.5176173.40000110.7I34 V55 T56 S61 G62 L63 L72 L75 A76 T79I34-V59 HydrophobicContact CG2-CG1 4.13Å; V55-V59 HydrophobicContact CG1-CG2 4.21Å; V55-V59 WeakPolarHBondContact O-CG2 3.42Å; V55-V59 PolarHBondContact O-N 3.42Å; T56-V59 PolarHBondContact O-N 2.93Å; V59-S61 VanDerWaalsContact C-N 3.3Å; V59-S61 PolarHBondContact O-N 3.06Å; V59-G62 PolarHBondContact O-N 3.29Å; V59-G62 VanDerWaalsContact O-N 3.09Å; V59-L63 HydrophobicContact CG1-CD2 4.44Å; V59-L63 WeakPolarHBondContact O-CG 3.35Å; V59-L72 HydrophobicContact CG1-CD1 3.79Å; V59-L75 HydrophobicContact CG1-CD2 4.34Å; V59-A76 HydrophobicContact CG1-CB 4.48Å; V59-A76 HydrophobicContact CG2-CB 3.96Å; V59-T79 HydrophobicContact CG2-CG2 4.11Å
60V87Confident87.7Confident1 Ų142.5 Ų42.51%0.00623%0.231CC..Hα-helixtrans-60.9-38.8-179.6171.80000111.7L8 F11 I34 T56 K57 R58 G62 L63L8-V60 HydrophobicContact CD2-CG1 4.38Å; F11-V60 HydrophobicContact CB-CG1 3.91Å; I34-V60 HydrophobicContact CD1-CG2 3.92Å; T56-V60 HydrophobicContact CG2-CG2 4.06Å; T56-V60 WeakPolarHBondContact O-CB 3.24Å; T56-V60 VanDerWaalsContact O-CG2 3.24Å; T56-V60 WeakPolarHBondContact O-CG2 3.47Å; T56-V60 PolarHBondContact O-N 2.82Å; K57-V60 PolarHBondContact O-N 2.78Å; R58-V60 PolarHBondContact O-N 3.43Å; V60-G62 PolarHBondContact O-N 3.11Å; V60-L63 HydrophobicContact CG2-CD1 4.49Å; V60-L63 PolarHBondContact O-N 2.9Å
61S85Confident87.6Confident74 Ų7445.9 Ų45.952%0.51725%0.247SC..Hα-helixtrans-66.5-22.2177.4650000114.1K57 R58 V59K57-S61 PolarHBondContact O-N 2.88Å; K57-S61 PolarHBondContact O-OG 3.26Å; R58-S61 WeakPolarHBondContact CA-OG 3.3Å; R58-S61 PolarHBondContact O-N 2.99Å; R58-S61 PolarHBondContact O-OG 2.95Å; V59-S61 VanDerWaalsContact C-N 3.3Å; V59-S61 PolarHBondContact O-N 3.06Å
62G83.6Confident87.5Confident39 Ų3943.2 Ų43.240%0.40223%0.232SC..THydrogen-bonded Turntrans-91.51.9176.700000114.7R58 V59 V60R58-G62 PolarHBondContact O-N 2.98Å; V59-G62 PolarHBondContact O-N 3.29Å; V59-G62 VanDerWaalsContact O-N 3.09Å; V60-G62 PolarHBondContact O-N 3.11Å
63L84.7Confident87.3Confident10 Ų1043.2 Ų43.25%0.05223%0.232CC..  trans-82.5143.1-176.2-58.6179.5000112.7I17 I29 I34 V59 V60 V67 L72 L75I17-L63 HydrophobicContact CD1-CB 4.45Å; I29-L63 HydrophobicContact CD1-CD1 3.9Å; I29-L63 HydrophobicContact CG2-CD1 4.04Å; I34-L63 HydrophobicContact CD1-CD1 3.91Å; V59-L63 HydrophobicContact CG1-CD2 4.44Å; V59-L63 WeakPolarHBondContact O-CG 3.35Å; V60-L63 HydrophobicContact CG2-CD1 4.49Å; V60-L63 PolarHBondContact O-N 2.9Å; L63-V67 HydrophobicContact CD2-CG1 4.32Å; L63-L72 HydrophobicContact CD1-CD1 4.24Å; L63-L72 HydrophobicContact CD2-CD1 3.45Å; L63-L72 VanDerWaalsContact CD2-CD1 3.45Å; L63-L72 HydrophobicContact CG-CD1 4.48Å; L63-L75 HydrophobicContact CD2-CD2 3.85Å
64Y83Confident87.3Confident110 Ų11038.8 Ų38.843%0.43121%0.213SC..  trans-121.5155.1170.255.6-88.9000111G66 V67 E71Y64-G66 PolarHBondContact O-N 2.91Å; Y64-V67 HydrophobicContact CD2-CB 4.3Å; Y64-V67 HydrophobicContact CE1-CB 4.37Å; Y64-V67 HydrophobicContact CE1-CG2 4.2Å; Y64-V67 HydrophobicContact CE2-CB 4.04Å; Y64-V67 WeakPolarHBondContact O-CB 3.4Å; Y64-V67 WeakPolarHBondContact O-CG1 3.24Å; Y64-V67 PolarHBondContact O-N 3.49Å; Y64-E71 PolarHBondContact OH-OE1 3.36Å; Y64-E71 VanDerWaalsContact OH-OE1 3.05Å; Y64-E71 PolarHBondContact OH-OE2 3.31Å; Y64-E71 VanDerWaalsContact OH-OE2 3.11Å
65P82Confident87.2Confident58 Ų5839.7 Ų39.738%0.37721%0.214SC..THydrogen-bonded Turntrans-58.5131175.3-23.834.8000111.7I14 Y18I14-P65 HydrophobicContact CD1-CG 4.24Å; I14-P65 HydrophobicContact CG2-CG 4.07Å; Y18-P65 HydrophobicContact CE1-CB 4.17Å
66G82.2Confident87.3Confident19 Ų1940 Ų4020%0.19622%0.216CC..THydrogen-bonded Turntrans85.66.8-179.100000114.7Y18 V20 Y64 T68Y18-G66 PolarHBondContact O-N 3.3Å; V20-G66 WeakPolarHBondContact CG2-O 3.35Å; Y64-G66 PolarHBondContact O-N 2.91Å; G66-T68 PolarHBondContact O-N 3.26Å
67V86.9Confident87.3Confident2 Ų239.6 Ų39.61%0.01221%0.214CC..  trans-52.2134.3169.766.60000110.3V19 V20 I29 L63 Y64 E71V19-V67 CarbonylContact C-O 3.44Å; V19-V67 VanDerWaalsContact CA-O 3.23Å; V19-V67 WeakPolarHBondContact CA-O 3.39Å; V19-V67 HydrophobicContact CG2-CG1 4.42Å; V19-V67 WeakPolarHBondContact CG2-O 3.2Å; V20-V67 PolarHBondContact N-O 2.94Å; I29-V67 HydrophobicContact CD1-CG1 3.73Å; L63-V67 HydrophobicContact CD2-CG1 4.32Å; Y64-V67 HydrophobicContact CD2-CB 4.3Å; Y64-V67 HydrophobicContact CE1-CB 4.37Å; Y64-V67 HydrophobicContact CE1-CG2 4.2Å; Y64-V67 HydrophobicContact CE2-CB 4.04Å; Y64-V67 WeakPolarHBondContact O-CB 3.4Å; Y64-V67 WeakPolarHBondContact O-CG1 3.24Å; Y64-V67 PolarHBondContact O-N 3.49Å; V67-E71 HydrophobicContact CG2-CB 3.66Å
68T87.1Confident87.4Confident45 Ų4537.2 Ų37.228%0.27621%0.205SC..BIsolated β-bridgetrans-78158.8176.765.30000110.7V20 G66 V70 E71 L72V20-T68 HydrophobicContact CB-CG2 4.4Å; V20-T68 CarbonylContact O-C 3.6Å; V20-T68 WeakPolarHBondContact O-CA 3.41Å; G66-T68 PolarHBondContact O-N 3.26Å; T68-V70 PolarHBondContact O-N 3.3Å; T68-E71 WeakPolarHBondContact CB-OE2 3.35Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.23Å; T68-E71 PolarHBondContact N-OE2 2.89Å; T68-E71 PolarHBondContact O-N 2.97Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.3Å; T68-E71 PolarHBondContact OG1-N 3.46Å; T68-E71 VanDerWaalsContact OG1-N 3.1Å; T68-E71 PolarHBondContact OG1-OE2 2.97Å; T68-L72 WeakPolarHBondContact O-CB 3.34Å; T68-L72 PolarHBondContact O-N 3.3Å
69T86.3Confident87.4Confident15 Ų1532.6 Ų32.69%0.09219%0.189CC..Hα-helixtrans-62.7-27.7175.3-48.90000112.2V20 K21 D73V20-T69 PolarHBondContact O-N 2.95Å; V20-T69 PolarHBondContact O-OG1 2.82Å; K21-T69 WeakPolarHBondContact CA-OG1 3.34Å; T69-D73 PolarHBondContact O-N 2.98Å
70V86.7Confident87.6Confident29 Ų2932.6 Ų32.618%0.17619%0.189CC..Hα-helixtrans-71.3-47.6177175.60000110.3R22 T68 L72 D73 N74 E105R22-V70 HydrophobicContact CG-CG2 4.28Å; T68-V70 PolarHBondContact O-N 3.3Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.48Å; V70-D73 PolarHBondContact O-N 3.13Å; V70-N74 WeakPolarHBondContact O-CB 3.29Å; V70-N74 VanDerWaalsContact O-CG 3.28Å; V70-N74 PolarHBondContact O-N 3.45Å; V70-N74 PolarHBondContact O-ND2 3.33Å; V70-E105 HydrophobicContact CG2-CG 4.32Å
71E88Confident87.7Confident78 Ų7832.6 Ų32.636%0.36419%0.189SC..Hα-helixtrans-60.8-39.5175-72160.9151.500111.5Y64 V67 T68 N74 L75Y64-E71 PolarHBondContact OH-OE1 3.36Å; Y64-E71 VanDerWaalsContact OH-OE1 3.05Å; Y64-E71 PolarHBondContact OH-OE2 3.31Å; Y64-E71 VanDerWaalsContact OH-OE2 3.11Å; V67-E71 HydrophobicContact CG2-CB 3.66Å; T68-E71 WeakPolarHBondContact CB-OE2 3.35Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.23Å; T68-E71 PolarHBondContact N-OE2 2.89Å; T68-E71 PolarHBondContact O-N 2.97Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.3Å; T68-E71 PolarHBondContact OG1-N 3.46Å; T68-E71 VanDerWaalsContact OG1-N 3.1Å; T68-E71 PolarHBondContact OG1-OE2 2.97Å; E71-N74 PolarHBondContact O-N 2.66Å; E71-L75 VanDerWaalsContact O-CB 3.29Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 3.37Å
72L88.6Confident87.8Confident24 Ų2431.7 Ų31.713%0.12618%0.183CC..Hα-helixtrans-62.3-48.6174.9175.166.8000112.6I34 V59 L63 T68 V70 N74 L75 A76I34-L72 HydrophobicContact CD1-CD1 4.05Å; I34-L72 HydrophobicContact CG1-CD1 4.41Å; I34-L72 HydrophobicContact CG1-CD2 4.37Å; V59-L72 HydrophobicContact CG1-CD1 3.79Å; L63-L72 HydrophobicContact CD1-CD1 4.24Å; L63-L72 HydrophobicContact CD2-CD1 3.45Å; L63-L72 VanDerWaalsContact CD2-CD1 3.45Å; L63-L72 HydrophobicContact CG-CD1 4.48Å; T68-L72 WeakPolarHBondContact O-CB 3.34Å; T68-L72 PolarHBondContact O-N 3.3Å; V70-L72 VanDerWaalsContact C-N 3.3Å; V70-L72 PolarHBondContact O-N 3.48Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.09Å
73D89.4Confident88.2Confident8 Ų829.9 Ų29.94%0.04316%0.164CC..Hα-helixtrans-64.8-36.8178.3-82.9-43.4000110.6R22 R37 T69 V70 A76 A77 N101R22-D73 IonicContact CZ-OD2 3.13Å; R22-D73 IonicContact NH2-OD2 2.6Å; R22-D73 PolarHBondContact NH2-OD2 3.16Å; R37-D73 IonicContact NE-OD1 3.84Å; R37-D73 PolarHBondContact NE-OD1 3.24Å; R37-D73 IonicContact NH2-OD1 3.82Å; T69-D73 PolarHBondContact O-N 2.98Å; V70-D73 PolarHBondContact O-N 3.13Å; D73-A76 PolarHBondContact O-N 3.35Å; D73-A77 PolarHBondContact O-N 2.91Å; D73-N101 HydrophobicContact CB-CB 3.9Å
74N89.5Confident88.3Confident43 Ų4329.8 Ų29.823%0.2316%0.164CC..Hα-helixtrans-66.7-46.3175.6-74.6-20.8000112.2V70 E71 L72 A76 A77 E78 N101V70-N74 WeakPolarHBondContact O-CB 3.29Å; V70-N74 VanDerWaalsContact O-CG 3.28Å; V70-N74 PolarHBondContact O-N 3.45Å; V70-N74 PolarHBondContact O-ND2 3.33Å; E71-N74 PolarHBondContact O-N 2.66Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 2.95Å; N74-A76 VanDerWaalsContact C-N 3.27Å; N74-A76 PolarHBondContact O-N 2.92Å; N74-A77 WeakPolarHBondContact O-CB 3.49Å; N74-A77 PolarHBondContact O-N 2.98Å; N74-A77 VanDerWaalsContact O-N 3.12Å; N74-E78 WeakPolarHBondContact O-CG 3.32Å; N74-E78 PolarHBondContact O-N 3.36Å; N74-N101 PolarHBondContact OD1-ND2 2.95Å; N74-N101 VanDerWaalsContact OD1-ND2 3.09Å
75L89.8Confident88.5Confident43 Ų4325.2 Ų25.223%0.22515%0.147CC..Hα-helixtrans-59.9-39.2175.9178.363.6000111.3V59 L63 E71 L72 E78 T79V59-L75 HydrophobicContact CG1-CD2 4.34Å; L63-L75 HydrophobicContact CD2-CD2 3.85Å; E71-L75 VanDerWaalsContact O-CB 3.29Å; E71-L75 WeakPolarHBondContact O-CB 3.45Å; E71-L75 PolarHBondContact O-N 3.37Å; L72-L75 PolarHBondContact O-N 3.48Å; L75-E78 PolarHBondContact O-N 2.71Å; L75-T79 VanDerWaalsContact O-CB 3.29Å; L75-T79 WeakPolarHBondContact O-CB 3.49Å; L75-T79 PolarHBondContact O-N 2.7Å; L75-T79 PolarHBondContact O-OG1 2.95Å
76A92.4Very high88.7Confident5 Ų526.6 Ų26.64%0.04115%0.147CC..Hα-helixtrans-63.4-43.9174.200000112.2V59 L72 D73 N74 T79 C80 L97V59-A76 HydrophobicContact CG1-CB 4.48Å; V59-A76 HydrophobicContact CG2-CB 3.96Å; L72-A76 WeakPolarHBondContact O-CB 3.49Å; L72-A76 PolarHBondContact O-N 3.09Å; D73-A76 PolarHBondContact O-N 3.35Å; N74-A76 VanDerWaalsContact C-N 3.27Å; N74-A76 PolarHBondContact O-N 2.92Å; A76-T79 PolarHBondContact O-N 3.49Å; A76-C80 PolarHBondContact O-N 2.93Å; A76-C80 PolarHBondContact O-SG 3.05Å; A76-C80 VanDerWaalsContact O-SG 3.36Å; A76-L97 HydrophobicContact CB-CD1 4.07Å
77A92.3Very high89Confident0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-63.2-44176.300000112.2D73 N74 C80 A81 A94 L97 A98 Y161D73-A77 PolarHBondContact O-N 2.91Å; N74-A77 WeakPolarHBondContact O-CB 3.49Å; N74-A77 PolarHBondContact O-N 2.98Å; N74-A77 VanDerWaalsContact O-N 3.12Å; A77-C80 PolarHBondContact O-N 3.48Å; A77-A81 WeakPolarHBondContact O-CB 3.35Å; A77-A81 PolarHBondContact O-N 3.17Å; A77-A94 WeakPolarHBondContact CB-O 3.22Å; A77-A94 VanDerWaalsContact O-CB 3.28Å; A77-A94 WeakPolarHBondContact O-CB 3.36Å; A77-L97 HydrophobicContact CB-CB 4.06Å; A77-A98 HydrophobicContact CB-CB 4.12Å; A77-Y161 HydrophobicContact CB-CE2 3.98Å
78E90.4Very high88.9Confident65 Ų6528 Ų2830%0.30415%0.148SC..Hα-helixtrans-65.6-39.8177.4-72.2171.5-176.300112.3N74 L75 A81 S82 Y161 S653N74-E78 WeakPolarHBondContact O-CG 3.32Å; N74-E78 PolarHBondContact O-N 3.36Å; L75-E78 PolarHBondContact O-N 2.71Å; E78-A81 WeakPolarHBondContact O-CB 3.47Å; E78-A81 PolarHBondContact O-N 2.89Å; E78-S82 PolarHBondContact O-N 3.48Å; E78-Y161 WeakPolarHBondContact CG-OH 3.04Å; E78-S653 WeakPolarHBondContact OE1-CB 3.49Å
79T91.6Very high89.1Confident16 Ų1627.1 Ų27.110%0.09814%0.141CC..Hα-helixtrans-60.6-48.3174.4-60.60000110.5V55 R58 V59 L75 A76 A81 S82 M83V55-T79 HydrophobicContact CG1-CG2 4.23Å; R58-T79 HydrophobicContact CB-CG2 3.55Å; R58-T79 HydrophobicContact CG-CG2 4.47Å; V59-T79 HydrophobicContact CG2-CG2 4.11Å; L75-T79 VanDerWaalsContact O-CB 3.29Å; L75-T79 WeakPolarHBondContact O-CB 3.49Å; L75-T79 PolarHBondContact O-N 2.7Å; L75-T79 PolarHBondContact O-OG1 2.95Å; A76-T79 PolarHBondContact O-N 3.49Å; T79-A81 VanDerWaalsContact C-N 3.32Å; T79-A81 PolarHBondContact O-N 2.6Å; T79-S82 PolarHBondContact O-N 3.14Å; T79-S82 PolarHBondContact O-OG 3.29Å; T79-M83 WeakPolarHBondContact O-CG 3.46Å; T79-M83 PolarHBondContact O-N 3.27Å
80C92.3Very high89.3Confident0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-60.2-42173.8-70.30000111.5V55 A76 A77 S82 M83 I84 A94V55-C80 VanDerWaalsContact CG1-SG 3.58Å; A76-C80 PolarHBondContact O-N 2.93Å; A76-C80 PolarHBondContact O-SG 3.05Å; A76-C80 VanDerWaalsContact O-SG 3.36Å; A77-C80 PolarHBondContact O-N 3.48Å; C80-S82 VanDerWaalsContact C-N 3.27Å; C80-S82 PolarHBondContact O-N 2.64Å; C80-M83 WeakPolarHBondContact O-CA 3.23Å; C80-M83 WeakPolarHBondContact O-CB 3.45Å; C80-M83 PolarHBondContact O-N 3.4Å; C80-I84 PolarHBondContact O-N 3.32Å; C80-A94 HydrophobicContact CB-CB 3.65Å
81A89.4Confident89.4Confident1 Ų125.8 Ų25.81%0.00813%0.134CC..Hα-helixtrans-61-35.7178.100000112.4A77 E78 T79 M83 I84 A94 Y161 F656A77-A81 WeakPolarHBondContact O-CB 3.35Å; A77-A81 PolarHBondContact O-N 3.17Å; E78-A81 WeakPolarHBondContact O-CB 3.47Å; E78-A81 PolarHBondContact O-N 2.89Å; T79-A81 VanDerWaalsContact C-N 3.32Å; T79-A81 PolarHBondContact O-N 2.6Å; A81-M83 PolarHBondContact O-N 3.48Å; A81-I84 HydrophobicContact CB-CD1 4.2Å; A81-I84 WeakPolarHBondContact O-CB 3.49Å; A81-I84 VanDerWaalsContact O-CD1 3.31Å; A81-I84 WeakPolarHBondContact O-CD1 3.43Å; A81-I84 WeakPolarHBondContact O-CG1 3.35Å; A81-I84 PolarHBondContact O-N 3.09Å; A81-A94 HydrophobicContact CB-CB 4.16Å; A81-Y161 HydrophobicContact CB-CD1 3.62Å; A81-Y161 HydrophobicContact CB-CE1 3.6Å; A81-Y161 HydrophobicContact CB-CG 4.14Å; A81-F656 HydrophobicContact CB-CD1 4Å; A81-F656 HydrophobicContact CB-CE1 3.67Å; A81-F656 HydrophobicContact CB-CZ 4.35Å
82S87.8Confident89.6Confident55 Ų5524.3 Ų24.339%0.38513%0.128SC..Hα-helixtrans-65.2-21.3174.179.40000113.4E78 T79 C80E78-S82 PolarHBondContact O-N 3.48Å; T79-S82 PolarHBondContact O-N 3.14Å; T79-S82 PolarHBondContact O-OG 3.29Å; C80-S82 VanDerWaalsContact C-N 3.27Å; C80-S82 PolarHBondContact O-N 2.64Å
83M90.8Very high89.9Confident2 Ų223.2 Ų23.21%0.0112%0.122CC..THydrogen-bonded Turntrans-95.42.5-177.7-63.5178.870.100113.3A54 V55 T79 C80 A81 T85 K86 Y90A54-M83 HydrophobicContact CB-CE 4.48Å; V55-M83 HydrophobicContact CG2-CE 4.2Å; V55-M83 HydrophobicContact CG2-SD 3.67Å; T79-M83 WeakPolarHBondContact O-CG 3.46Å; T79-M83 PolarHBondContact O-N 3.27Å; C80-M83 WeakPolarHBondContact O-CA 3.23Å; C80-M83 WeakPolarHBondContact O-CB 3.45Å; C80-M83 PolarHBondContact O-N 3.4Å; A81-M83 PolarHBondContact O-N 3.48Å; M83-T85 PolarHBondContact O-N 3.33Å; M83-T85 VanDerWaalsContact O-N 3.13Å; M83-K86 HydrophobicContact CE-CD 4.01Å; M83-K86 WeakPolarHBondContact O-CB 2.66Å; M83-K86 PolarHBondContact O-N 2.7Å; M83-Y90 HydrophobicContact CB-CD1 3.8Å; M83-Y90 HydrophobicContact CB-CD2 4.01Å; M83-Y90 HydrophobicContact CB-CE1 4.05Å; M83-Y90 HydrophobicContact CB-CE2 4.24Å; M83-Y90 HydrophobicContact CB-CG 3.78Å; M83-Y90 HydrophobicContact CE-CE1 3.83Å; M83-Y90 HydrophobicContact CE-CE2 4.32Å; M83-Y90 VanDerWaalsContact CE-OH 3.3Å; M83-Y90 WeakPolarHBondContact CE-OH 3.27Å; M83-Y90 WeakPolarHBondContact O-CD2 3.48Å; M83-Y90 HydrophobicContact SD-CE1 4.11Å
84I88.6Confident90Very high8 Ų822.8 Ų22.84%0.04112%0.12CC..THydrogen-bonded Turntrans-55.5-32176.7-67.9172.9000112.2C80 A81 K86 H87 A91 F162C80-I84 PolarHBondContact O-N 3.32Å; A81-I84 HydrophobicContact CB-CD1 4.2Å; A81-I84 WeakPolarHBondContact O-CB 3.49Å; A81-I84 VanDerWaalsContact O-CD1 3.31Å; A81-I84 WeakPolarHBondContact O-CD1 3.43Å; A81-I84 WeakPolarHBondContact O-CG1 3.35Å; A81-I84 PolarHBondContact O-N 3.09Å; I84-K86 PolarHBondContact O-N 3.34Å; I84-H87 CarbonylContact O-C 3.24Å; I84-H87 VanDerWaalsContact O-C 3.24Å; I84-H87 PolarHBondContact O-N 3.37Å; I84-A91 HydrophobicContact CD1-CB 3.53Å; I84-A91 HydrophobicContact CG1-CB 3.69Å; I84-A91 HydrophobicContact CG2-CB 4.31Å; I84-F162 HydrophobicContact CD1-CE2 3.72Å; I84-F162 HydrophobicContact CD1-CZ 4.3Å
85T85.4Confident90.2Very high13 Ų1320.8 Ų20.88%0.0811%0.109CC..THydrogen-bonded Turntrans-67.7-18.5177.459.90000114.1M83 Q657 W673 K678M83-T85 PolarHBondContact O-N 3.33Å; M83-T85 VanDerWaalsContact O-N 3.13Å; T85-Q657 HydrophobicContact CG2-CB 3.66Å; T85-Q657 VanDerWaalsContact CG2-O 3.22Å; T85-Q657 WeakPolarHBondContact CG2-O 3.22Å; T85-W673 VanDerWaalsContact O-CZ2 3.3Å; T85-W673 WeakPolarHBondContact O-CZ2 3.08Å; T85-W673 PolarHBondContact O-NE1 3.22Å; T85-W673 VanDerWaalsContact O-NE1 3.11Å; T85-K678 VanDerWaalsContact CB-NZ 3.28Å; T85-K678 HydrophobicContact CG2-CD 4.42Å; T85-K678 PolarHBondContact OG1-NZ 2.97Å
86K86.3Confident90.5Very high87 Ų8720 Ų2038%0.37810%0.103SC..THydrogen-bonded Turntrans-77.5-47.3171.5-65.6-170.3168.7-160.90111.4M83 I84 Y90 W673M83-K86 HydrophobicContact CE-CD 4.01Å; M83-K86 WeakPolarHBondContact O-CB 2.66Å; M83-K86 PolarHBondContact O-N 2.7Å; I84-K86 PolarHBondContact O-N 3.34Å; K86-Y90 HydrophobicContact CB-CD2 4.41Å; K86-Y90 HydrophobicContact CB-CE2 4.18Å; K86-W673 PolarHBondContact O-NE1 2.97Å
87H88.9Confident90.6Very high9 Ų919.8 Ų19.84%0.04210%0.101CC..  trans-158.8141.5176.3-161.9-100.3000110.3Y49 I84 E89 Y90Y49-H87 AromaticContact CD2-CD2 3.93Å; Y49-H87 AromaticContact CD2-CE1 3.34Å; Y49-H87 WeakPolarHBondContact CD2-CE1 3.41Å; Y49-H87 AromaticContact CD2-ND1 3.72Å; Y49-H87 AromaticContact CD2-NE2 3.46Å; Y49-H87 WeakPolarHBondContact CD2-NE2 3.32Å; Y49-H87 AromaticContact CE2-CE1 3.82Å; Y49-H87 AromaticContact CE2-NE2 3.64Å; Y49-H87 AromaticContact CG-CD2 3.79Å; Y49-H87 AromaticContact CG-CE1 3.9Å; Y49-H87 AromaticContact CG-CG 3.85Å; Y49-H87 AromaticContact CG-ND1 3.89Å; Y49-H87 AromaticContact CG-NE2 3.84Å; I84-H87 CarbonylContact O-C 3.24Å; I84-H87 VanDerWaalsContact O-C 3.24Å; I84-H87 PolarHBondContact O-N 3.37Å; H87-E89 WeakPolarHBondContact ND1-CG 3.34Å; H87-E89 PolarHBondContact ND1-N 3.08Å; H87-E89 PolarHBondContact O-N 3.25Å; H87-Y90 HydrophobicContact CB-CD2 4.29Å; H87-Y90 WeakPolarHBondContact O-CB 3.49Å; H87-Y90 PolarHBondContact O-N 3.49Å
88H86.2Confident90.7Very high43 Ų4319.8 Ų19.820%0.19910%0.101CC..THydrogen-bonded Turntrans-65.8-21.3-175.773.293.6000113.1Y90 A91 P661 L664 D665H88-Y90 PolarHBondContact O-N 3.14Å; H88-A91 WeakPolarHBondContact O-CA 3.31Å; H88-A91 WeakPolarHBondContact O-CB 3.49Å; H88-A91 PolarHBondContact O-N 3.49Å; H88-P661 HydrophobicContact CB-CB 4.17Å; H88-L664 HydrophobicContact CB-CD2 4.1Å; H88-D665 IonicContact CD2-OD1 3.39Å; H88-D665 PolarHBondContact CD2-OD1 2.92Å; H88-D665 IonicContact CE1-OD1 2.71Å; H88-D665 IonicContact NE2-OD1 3.26Å; H88-D665 PolarHBondContact NE2-OD1 3.31Å
89E89.6Confident91Very high26 Ų2616.7 Ų16.712%0.1219%0.087CC..Hα-helixtrans-61.4-25.6175.6-74.1-168.6160.300113.5L45 N46 I50 H87 A91 I92 L93L45-E89 HydrophobicContact CD2-CG 4.44Å; N46-E89 PolarHBondContact N-OE1 3.43Å; N46-E89 VanDerWaalsContact N-OE1 3.08Å; N46-E89 PolarHBondContact N-OE2 2.8Å; I50-E89 HydrophobicContact CD1-CB 4.14Å; I50-E89 HydrophobicContact CG1-CB 4.43Å; H87-E89 WeakPolarHBondContact ND1-CG 3.34Å; H87-E89 PolarHBondContact ND1-N 3.08Å; H87-E89 PolarHBondContact O-N 3.25Å; E89-A91 PolarHBondContact O-N 2.74Å; E89-I92 WeakPolarHBondContact O-CB 3.29Å; E89-I92 PolarHBondContact O-N 3.41Å; E89-L93 PolarHBondContact O-N 3.26Å
90Y92Very high91.2Very high3 Ų316.3 Ų16.31%0.0129%0.085CC..Hα-helixtrans-60.1-28170.2-81.2-74.1000112.3Y49 I50 D51 V55 M83 K86 H87 H88 I92 L93 A94Y49-Y90 VanDerWaalsContact O-CE2 3.23Å; Y49-Y90 WeakPolarHBondContact O-CE2 3.47Å; I50-Y90 HydrophobicContact CG2-CE1 4.03Å; D51-Y90 PolarHBondContact N-OH 3.2Å; V55-Y90 HydrophobicContact CG2-CD1 4.4Å; V55-Y90 HydrophobicContact CG2-CE1 3.66Å; M83-Y90 HydrophobicContact CB-CD1 3.8Å; M83-Y90 HydrophobicContact CB-CD2 4.01Å; M83-Y90 HydrophobicContact CB-CE1 4.05Å; M83-Y90 HydrophobicContact CB-CE2 4.24Å; M83-Y90 HydrophobicContact CB-CG 3.78Å; M83-Y90 HydrophobicContact CE-CE1 3.83Å; M83-Y90 HydrophobicContact CE-CE2 4.32Å; M83-Y90 VanDerWaalsContact CE-OH 3.3Å; M83-Y90 WeakPolarHBondContact CE-OH 3.27Å; M83-Y90 WeakPolarHBondContact O-CD2 3.48Å; M83-Y90 HydrophobicContact SD-CE1 4.11Å; K86-Y90 HydrophobicContact CB-CD2 4.41Å; K86-Y90 HydrophobicContact CB-CE2 4.18Å; H87-Y90 HydrophobicContact CB-CD2 4.29Å; H87-Y90 WeakPolarHBondContact O-CB 3.49Å; H87-Y90 PolarHBondContact O-N 3.49Å; H88-Y90 PolarHBondContact O-N 3.14Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; Y90-L93 HydrophobicContact CD1-CD2 4.46Å; Y90-L93 PolarHBondContact O-N 3.27Å; Y90-A94 WeakPolarHBondContact O-CB 3.46Å; Y90-A94 PolarHBondContact O-N 2.74Å
91A88.9Confident91.3Very high13 Ų1316.4 Ų16.411%0.1079%0.086CC..Hα-helixtrans-68.3-36.7175.400000111.3I84 H88 E89 A95 Y161I84-A91 HydrophobicContact CD1-CB 3.53Å; I84-A91 HydrophobicContact CG1-CB 3.69Å; I84-A91 HydrophobicContact CG2-CB 4.31Å; H88-A91 WeakPolarHBondContact O-CA 3.31Å; H88-A91 WeakPolarHBondContact O-CB 3.49Å; H88-A91 PolarHBondContact O-N 3.49Å; E89-A91 PolarHBondContact O-N 2.74Å; A91-A95 PolarHBondContact O-N 2.93Å; A91-A95 VanDerWaalsContact O-N 3.08Å; A91-Y161 PolarHBondContact O-N 2.99Å
92I91.1Very high91.6Very high47 Ų4716.6 Ų16.624%0.2419%0.087CC..Hα-helixtrans-69.9-48.4175.9-56.3172.9000108.8L45 E89 Y90 A94 A95 R96L45-I92 HydrophobicContact CD2-CB 4.13Å; L45-I92 HydrophobicContact CD2-CD1 4.16Å; L45-I92 HydrophobicContact CD2-CG2 3.89Å; E89-I92 WeakPolarHBondContact O-CB 3.29Å; E89-I92 PolarHBondContact O-N 3.41Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.42Å; I92-A95 WeakPolarHBondContact O-CB 3.47Å; I92-A95 PolarHBondContact O-N 3.32Å; I92-A95 VanDerWaalsContact O-N 3.16Å; I92-R96 HydrophobicContact CG2-CG 4.27Å; I92-R96 VanDerWaalsContact O-CG 3.29Å; I92-R96 WeakPolarHBondContact O-CG 3.43Å; I92-R96 PolarHBondContact O-N 3.15Å
93L94.3Very high92Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-57.7-44.6177.1-179.558.4000112.2I38 M41 L45 I50 E89 Y90 R96 L97I38-L93 HydrophobicContact CG2-CD1 4.45Å; I38-L93 HydrophobicContact CG2-CD2 4.05Å; M41-L93 HydrophobicContact CB-CD1 3.59Å; L45-L93 HydrophobicContact CD1-CB 3.99Å; I50-L93 HydrophobicContact CD1-CD2 4.41Å; I50-L93 HydrophobicContact CG2-CD2 3.75Å; E89-L93 PolarHBondContact O-N 3.26Å; Y90-L93 HydrophobicContact CD1-CD2 4.46Å; Y90-L93 PolarHBondContact O-N 3.27Å; L93-R96 PolarHBondContact O-N 3.49Å; L93-L97 HydrophobicContact CD1-CD1 4.45Å; L93-L97 HydrophobicContact CG-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.47Å; L93-L97 PolarHBondContact O-N 3.28Å
94A93.1Very high92.1Very high0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-58.4-47.217500000111.8A77 C80 A81 Y90 I92 L97 A98 Y161A77-A94 WeakPolarHBondContact CB-O 3.22Å; A77-A94 VanDerWaalsContact O-CB 3.28Å; A77-A94 WeakPolarHBondContact O-CB 3.36Å; C80-A94 HydrophobicContact CB-CB 3.65Å; A81-A94 HydrophobicContact CB-CB 4.16Å; Y90-A94 WeakPolarHBondContact O-CB 3.46Å; Y90-A94 PolarHBondContact O-N 2.74Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.42Å; A94-L97 PolarHBondContact O-N 3.35Å; A94-A98 PolarHBondContact O-N 2.97Å; A94-A98 VanDerWaalsContact O-N 3.14Å; A94-Y161 HydrophobicContact CB-CD2 3.7Å; A94-Y161 HydrophobicContact CB-CE2 4.43Å; A94-Y161 HydrophobicContact CB-CG 3.92Å
95A93.2Very high92.3Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-60.8-47.2175.900000111.9A91 I92 L97 A98 V99 Y159 N160A91-A95 PolarHBondContact O-N 2.93Å; A91-A95 VanDerWaalsContact O-N 3.08Å; I92-A95 WeakPolarHBondContact O-CB 3.47Å; I92-A95 PolarHBondContact O-N 3.32Å; I92-A95 VanDerWaalsContact O-N 3.16Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 2.94Å; A95-A98 CarbonylContact O-C 3.57Å; A95-A98 PolarHBondContact O-N 2.65Å; A95-A98 VanDerWaalsContact O-N 3.1Å; A95-V99 WeakPolarHBondContact O-CB 3.21Å; A95-V99 VanDerWaalsContact O-CG2 3.23Å; A95-V99 WeakPolarHBondContact O-CG2 3.49Å; A95-V99 PolarHBondContact O-N 3.25Å; A95-Y159 WeakPolarHBondContact CB-O 3.45Å; A95-N160 VanDerWaalsContact CB-C 3.43Å
96R95.6Very high92.8Very high27 Ų2722.2 Ų22.210%0.10211%0.105CC..Hα-helixtrans-61.3-39-178.7-69.2-179.5175.8178.9-1.2112.5M41 Y43 I92 L93 S100 Y157M41-R96 HydrophobicContact CB-CB 4.23Å; M41-R96 VanDerWaalsContact O-CD 3.3Å; M41-R96 WeakPolarHBondContact O-CD 3.43Å; M41-R96 PolarHBondContact O-NH1 3.41Å; M41-R96 HydrophobicContact SD-CB 4.24Å; Y43-R96 PolarHBondContact O-NH1 3.35Å; Y43-R96 PolarHBondContact O-NH2 3.23Å; I92-R96 HydrophobicContact CG2-CG 4.27Å; I92-R96 VanDerWaalsContact O-CG 3.29Å; I92-R96 WeakPolarHBondContact O-CG 3.43Å; I92-R96 PolarHBondContact O-N 3.15Å; L93-R96 PolarHBondContact O-N 3.49Å; R96-S100 WeakPolarHBondContact O-CB 3.42Å; R96-S100 PolarHBondContact O-N 3.01Å; R96-Y157 HydrophobicContact CB-CD1 3.99Å; R96-Y157 HydrophobicContact CG-CD1 3.91Å
97L95.2Very high93.3Very high0 Ų022.3 Ų22.30%011%0.105CC..Hα-helixtrans-61.3-47.3173.2-74.2166.3000111.2M41 A76 A77 L93 A94 A95 N101M41-L97 HydrophobicContact CG-CD2 3.9Å; M41-L97 HydrophobicContact CG-CG 4.33Å; A76-L97 HydrophobicContact CB-CD1 4.07Å; A77-L97 HydrophobicContact CB-CB 4.06Å; L93-L97 HydrophobicContact CD1-CD1 4.45Å; L93-L97 HydrophobicContact CG-CD1 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.47Å; L93-L97 PolarHBondContact O-N 3.28Å; A94-L97 PolarHBondContact O-N 3.35Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 2.94Å; L97-N101 WeakPolarHBondContact O-CB 3.48Å; L97-N101 PolarHBondContact O-N 3.45Å
98A94.6Very high93.5Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-67.1-44.4179.600000113A77 A94 A95 N101 L102 Y161 F164A77-A98 HydrophobicContact CB-CB 4.12Å; A94-A98 PolarHBondContact O-N 2.97Å; A94-A98 VanDerWaalsContact O-N 3.14Å; A95-A98 CarbonylContact O-C 3.57Å; A95-A98 PolarHBondContact O-N 2.65Å; A95-A98 VanDerWaalsContact O-N 3.1Å; A98-N101 WeakPolarHBondContact O-CB 3.49Å; A98-N101 PolarHBondContact O-N 3.44Å; A98-L102 PolarHBondContact O-N 3.37Å; A98-Y161 HydrophobicContact CB-CE2 4.44Å; A98-F164 HydrophobicContact CB-CD1 3.73Å; A98-F164 HydrophobicContact CB-CE1 3.54Å
99V96.2Very high94Very high0 Ų030.7 Ų30.70%015%0.146CC..Hα-helixtrans-59.7-48.1175.5167.20000110.7A95 N101 L102 H103 D156 Y157 F164A95-V99 WeakPolarHBondContact O-CB 3.21Å; A95-V99 VanDerWaalsContact O-CG2 3.23Å; A95-V99 WeakPolarHBondContact O-CG2 3.49Å; A95-V99 PolarHBondContact O-N 3.25Å; V99-N101 VanDerWaalsContact C-N 3.28Å; V99-N101 PolarHBondContact O-N 3.45Å; V99-L102 WeakPolarHBondContact O-CB 3.11Å; V99-L102 PolarHBondContact O-N 2.98Å; V99-H103 PolarHBondContact O-CD2 3.46Å; V99-H103 PolarHBondContact O-N 3.33Å; V99-D156 HydrophobicContact CG1-CB 3.58Å; V99-D156 WeakPolarHBondContact CG2-O 3.44Å; V99-Y157 HydrophobicContact CB-CE1 4.5Å; V99-Y157 HydrophobicContact CG1-CD1 4.13Å; V99-Y157 HydrophobicContact CG1-CD2 4.13Å; V99-Y157 HydrophobicContact CG1-CE1 4.01Å; V99-Y157 HydrophobicContact CG1-CE2 3.99Å; V99-Y157 HydrophobicContact CG1-CG 4.19Å; V99-F164 HydrophobicContact CB-CE2 4.35Å; V99-F164 HydrophobicContact CG2-CD1 4.41Å; V99-F164 HydrophobicContact CG2-CD2 3.42Å; V99-F164 VanDerWaalsContact CG2-CD2 3.42Å; V99-F164 HydrophobicContact CG2-CE2 3.59Å; V99-F164 HydrophobicContact CG2-CG 3.86Å; V99-F164 HydrophobicContact CG2-CZ 4.17Å
100S95.8Very high94.4Very high9 Ų929.5 Ų29.56%0.06314%0.14CC..Hα-helixtrans-65.4-33.1178.91790000112.2R37 R96 K104R37-S100 PolarHBondContact NH2-OG 2.83Å; R96-S100 WeakPolarHBondContact O-CB 3.42Å; R96-S100 PolarHBondContact O-N 3.01Å; S100-K104 WeakPolarHBondContact O-CG 3.49Å; S100-K104 PolarHBondContact O-N 3.24Å
101N94.3Very high94.7Very high2 Ų230.3 Ų30.31%0.01115%0.146CC..Hα-helixtrans-61.6-51.8170.4-172.927.5000110.5R22 D73 N74 L97 A98 V99 H103 K104 E105R22-N101 PolarHBondContact NH2-OD1 3.11Å; D73-N101 HydrophobicContact CB-CB 3.9Å; N74-N101 PolarHBondContact OD1-ND2 2.95Å; N74-N101 VanDerWaalsContact OD1-ND2 3.09Å; L97-N101 WeakPolarHBondContact O-CB 3.48Å; L97-N101 PolarHBondContact O-N 3.45Å; A98-N101 WeakPolarHBondContact O-CB 3.49Å; A98-N101 PolarHBondContact O-N 3.44Å; V99-N101 VanDerWaalsContact C-N 3.28Å; V99-N101 PolarHBondContact O-N 3.45Å; N101-H103 VanDerWaalsContact C-N 3.32Å; N101-H103 PolarHBondContact O-N 3.36Å; N101-K104 WeakPolarHBondContact O-CB 3.44Å; N101-K104 PolarHBondContact O-N 2.84Å; N101-E105 PolarHBondContact O-N 3.2Å
102L95.2Very high95.2Very high5 Ų532.7 Ų32.73%0.02616%0.158CC..Hα-helixtrans-57-43.1177.2178.269.2000112.3A98 V99 K104 E105 T106 F164 L172 V179A98-L102 PolarHBondContact O-N 3.37Å; V99-L102 WeakPolarHBondContact O-CB 3.11Å; V99-L102 PolarHBondContact O-N 2.98Å; L102-K104 PolarHBondContact O-N 3.48Å; L102-E105 PolarHBondContact O-N 2.86Å; L102-T106 HydrophobicContact CD1-CG2 3.85Å; L102-T106 HydrophobicContact CG-CG2 4.35Å; L102-T106 PolarHBondContact O-N 3.19Å; L102-T106 VanDerWaalsContact O-N 3.11Å; L102-T106 PolarHBondContact O-OG1 3.13Å; L102-F164 HydrophobicContact CB-CZ 3.92Å; L102-F164 HydrophobicContact CD2-CE2 3.7Å; L102-F164 HydrophobicContact CD2-CZ 3.7Å; L102-F164 HydrophobicContact CG-CZ 4.41Å; L102-L172 HydrophobicContact CD2-CD1 3.9Å; L102-V179 HydrophobicContact CD1-CB 4.07Å; L102-V179 HydrophobicContact CD1-CG1 3.66Å
103H96.1Very high95.5Very high24 Ų2430.5 Ų30.511%0.11115%0.146CC..Hα-helixtrans-61.1-32.7177.2-77.3-162.5000112.4V99 N101 E105 T106 D156 Y157 R182V99-H103 PolarHBondContact O-CD2 3.46Å; V99-H103 PolarHBondContact O-N 3.33Å; N101-H103 VanDerWaalsContact C-N 3.32Å; N101-H103 PolarHBondContact O-N 3.36Å; H103-E105 VanDerWaalsContact C-N 3.31Å; H103-T106 VanDerWaalsContact O-O 3.04Å; H103-D156 IonicContact CD2-OD2 2.89Å; H103-D156 IonicContact CE1-OD2 2.86Å; H103-D156 PolarHBondContact CE1-OD2 2.66Å; H103-D156 IonicContact NE2-OD2 2.7Å; H103-D156 PolarHBondContact NE2-OD2 2.81Å; H103-Y157 AromaticContact CE1-CE2 3.64Å; H103-Y157 AromaticContact ND1-CE2 3.8Å; H103-Y157 AromaticContact ND1-CZ 3.93Å; H103-Y157 PolarHBondContact ND1-OH 3.1Å; H103-R182 PolarHBondContact O-NH2 3.02Å
104K93.8Very high95.7Very high101 Ų10130.6 Ų30.644%0.43915%0.147SC..Hα-helixtrans-75.8-19.4175-69170.4-170.6170.40113.2S100 N101 L102S100-K104 WeakPolarHBondContact O-CG 3.49Å; S100-K104 PolarHBondContact O-N 3.24Å; N101-K104 WeakPolarHBondContact O-CB 3.44Å; N101-K104 PolarHBondContact O-N 2.84Å; L102-K104 PolarHBondContact O-N 3.48Å
105E92.3Very high96Very high57 Ų5733.2 Ų33.227%0.26616%0.159SC..Hα-helixtrans-96.6-8.5-179.6-65.5-155.885.400113.9V70 N101 L102 H103 K178V70-E105 HydrophobicContact CG2-CG 4.32Å; N101-E105 PolarHBondContact O-N 3.2Å; L102-E105 PolarHBondContact O-N 2.86Å; H103-E105 VanDerWaalsContact C-N 3.31Å; E105-K178 WeakPolarHBondContact OE1-CE 3.49Å; E105-K178 IonicContact OE1-NZ 3.07Å; E105-K178 PolarHBondContact OE1-NZ 3.38Å
106T96.1Very high96.2Very high13 Ų1335.2 Ų35.28%0.0817%0.17CC..SBendtrans-125.9150.7-174.854.50000111.2L102 H103 R182L102-T106 HydrophobicContact CD1-CG2 3.85Å; L102-T106 HydrophobicContact CG-CG2 4.35Å; L102-T106 PolarHBondContact O-N 3.19Å; L102-T106 VanDerWaalsContact O-N 3.11Å; L102-T106 PolarHBondContact O-OG1 3.13Å; H103-T106 VanDerWaalsContact O-O 3.04Å; T106-R182 PolarHBondContact O-NH2 3.27Å; T106-R182 WeakPolarHBondContact OG1-CG 3.29Å; T106-R182 PolarHBondContact OG1-NE 3.32Å
107K96.4Very high96.3Very high89 Ų8934 Ų3439%0.38717%0.165SC..  trans-62.1149.3174.4-64.9-178.7179.5174.40110.7D112 V113 D116 R182 H185K107-D112 HydrophobicContact CD-CB 3.91Å; K107-V113 HydrophobicContact CB-CG2 3.78Å; K107-D116 VanDerWaalsContact CD-OD2 3.32Å; K107-D116 WeakPolarHBondContact CD-OD2 3.16Å; K107-D116 WeakPolarHBondContact CE-OD2 3.49Å; K107-D116 IonicContact NZ-OD1 3.2Å; K107-D116 PolarHBondContact NZ-OD1 3.21Å; K107-D116 IonicContact NZ-OD2 3.86Å; K107-D116 PolarHBondContact NZ-OD2 3.09Å; K107-R182 PolarHBondContact O-NE 3.49Å; K107-R182 PolarHBondContact O-NH2 3.08Å; K107-H185 PolarHBondContact O-CE1 3.4Å
108S94Very high96.5Very high74 Ų7435.7 Ų35.752%0.51717%0.172SC..SBendtrans-94.8-12.3-176.660.90000114.8Y153S108-Y153 WeakPolarHBondContact O-CE2 3.3Å; S108-Y153 PolarHBondContact O-OH 3.02Å
109R97.1Very high96.6Very high154 Ų15438.6 Ų38.658%0.58119%0.192SC*.  trans-98.7124.4176.2-70.8-177.5173.8-172.6-2.8108.9S111 D112 V113R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.13Å; R109-D112 HydrophobicContact CB-CB 4.19Å; R109-D112 WeakPolarHBondContact CB-OD2 3.41Å; R109-D112 PolarHBondContact O-N 3.35Å; R109-V113 PolarHBondContact O-N 3.1Å
110F98.1Very high96.7Very high1 Ų140.3 Ų40.30%0.00420%0.198CC..Hα-helixtrans-61.7-43.2-178.9170.7-116.5000111.5D112 V113 V114 V140 L147 N148 I151 H185 M188 R189 I192F110-D112 VanDerWaalsContact C-N 3.27Å; F110-D112 PolarHBondContact O-N 2.97Å; F110-V113 WeakPolarHBondContact O-CB 3.29Å; F110-V113 PolarHBondContact O-N 3.18Å; F110-V113 VanDerWaalsContact O-N 3.11Å; F110-V114 HydrophobicContact CD1-CG2 4.4Å; F110-V114 HydrophobicContact CD2-CG2 3.9Å; F110-V114 HydrophobicContact CE1-CG2 3.98Å; F110-V114 HydrophobicContact CE2-CG2 3.43Å; F110-V114 VanDerWaalsContact CE2-CG2 3.43Å; F110-V114 HydrophobicContact CG-CG2 4.36Å; F110-V114 HydrophobicContact CZ-CG2 3.48Å; F110-V114 VanDerWaalsContact CZ-CG2 3.48Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.89Å; F110-V140 HydrophobicContact CD1-CG1 4.13Å; F110-V140 HydrophobicContact CE1-CG1 3.95Å; F110-V140 HydrophobicContact CE1-CG2 3.72Å; F110-V140 HydrophobicContact CZ-CG2 4.17Å; F110-L147 HydrophobicContact CD1-CB 4.42Å; F110-N148 WeakPolarHBondContact CB-OD1 3.19Å; F110-N148 PolarHBondContact N-OD1 2.87Å; F110-I151 HydrophobicContact CB-CD1 3.36Å; F110-I151 HydrophobicContact CD1-CD1 3.96Å; F110-I151 HydrophobicContact CD2-CD1 4.19Å; F110-I151 HydrophobicContact CG-CD1 3.59Å; F110-H185 HydrophobicContact CD2-CB 3.84Å; F110-H185 AromaticContact CD2-CD2 3.79Å; F110-H185 AromaticContact CD2-CG 3.98Å; F110-H185 HydrophobicContact CE2-CB 4.22Å; F110-H185 WeakPolarHBondContact CE2-O 3.21Å; F110-M188 HydrophobicContact CD1-CG 4.1Å; F110-M188 HydrophobicContact CE1-CB 4.34Å; F110-M188 HydrophobicContact CE1-CG 3.64Å; F110-M188 HydrophobicContact CE2-CB 4.31Å; F110-M188 HydrophobicContact CE2-CG 4.47Å; F110-M188 HydrophobicContact CZ-CB 4.12Å; F110-M188 HydrophobicContact CZ-CG 3.84Å; F110-R189 HydrophobicContact CE2-CB 4.4Å; F110-R189 HydrophobicContact CZ-CB 4.47Å; F110-I192 HydrophobicContact CE1-CD1 3.77Å; F110-I192 HydrophobicContact CZ-CD1 4.07Å
111S98.1Very high96.7Very high20 Ų2044.6 Ų44.614%0.1422%0.22CC..Hα-helixtrans-54.6-41.6176.356.30000113.1R109 V114 E115 N148R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.13Å; S111-V114 PolarHBondContact O-N 3.24Å; S111-E115 WeakPolarHBondContact O-CB 3.28Å; S111-E115 PolarHBondContact O-N 2.87Å; S111-N148 PolarHBondContact N-OD1 3.12Å; S111-N148 VanDerWaalsContact N-OD1 3.16Å; S111-N148 PolarHBondContact OG-ND2 3.47Å
112D98.2Very high96.8Very high64 Ų6446.6 Ų46.634%0.34223%0.23SC..Hα-helixtrans-71.5-35.4-178.9-57.7-6.9000111.1K107 R109 F110 E115 D116K107-D112 HydrophobicContact CD-CB 3.91Å; R109-D112 HydrophobicContact CB-CB 4.19Å; R109-D112 WeakPolarHBondContact CB-OD2 3.41Å; R109-D112 PolarHBondContact O-N 3.35Å; F110-D112 VanDerWaalsContact C-N 3.27Å; F110-D112 PolarHBondContact O-N 2.97Å; D112-E115 PolarHBondContact O-N 3.24Å; D112-D116 VanDerWaalsContact O-CG 3.24Å; D112-D116 PolarHBondContact O-N 3.23Å
113V98.3Very high96.7Very high1 Ų149.3 Ų49.31%0.00625%0.248CC..Hα-helixtrans-66.1-45.1174173.20000110.7K107 R109 F110 E115 D116 L117K107-V113 HydrophobicContact CB-CG2 3.78Å; R109-V113 PolarHBondContact O-N 3.1Å; F110-V113 WeakPolarHBondContact O-CB 3.29Å; F110-V113 PolarHBondContact O-N 3.18Å; F110-V113 VanDerWaalsContact O-N 3.11Å; V113-E115 VanDerWaalsContact C-N 3.31Å; V113-E115 PolarHBondContact O-N 3.18Å; V113-D116 PolarHBondContact O-N 3.04Å; V113-L117 HydrophobicContact CG1-CD1 3.91Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CB 3.48Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.23Å
114V98.4Very high96.7Very high2 Ų259.3 Ų59.31%0.01229%0.285CS..Hα-helixtrans-61.8-41176.5173.10000111F110 S111 D116 L117 Y118 V132 L136 R137 V140F110-V114 HydrophobicContact CD1-CG2 4.4Å; F110-V114 HydrophobicContact CD2-CG2 3.9Å; F110-V114 HydrophobicContact CE1-CG2 3.98Å; F110-V114 HydrophobicContact CE2-CG2 3.43Å; F110-V114 VanDerWaalsContact CE2-CG2 3.43Å; F110-V114 HydrophobicContact CG-CG2 4.36Å; F110-V114 HydrophobicContact CZ-CG2 3.48Å; F110-V114 VanDerWaalsContact CZ-CG2 3.48Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.89Å; S111-V114 PolarHBondContact O-N 3.24Å; V114-D116 PolarHBondContact O-N 2.95Å; V114-L117 PolarHBondContact O-N 3.44Å; V114-Y118 WeakPolarHBondContact O-CB 3.41Å; V114-Y118 PolarHBondContact O-N 3.42Å; V114-V132 HydrophobicContact CG1-CG2 4.21Å; V114-L136 HydrophobicContact CG1-CD2 3.61Å; V114-L136 HydrophobicContact CG2-CD2 4.23Å; V114-R137 HydrophobicContact CG1-CB 4.18Å; V114-R137 HydrophobicContact CG1-CG 4.3Å; V114-V140 HydrophobicContact CB-CG1 4.09Å; V114-V140 HydrophobicContact CG1-CB 4.15Å; V114-V140 HydrophobicContact CG1-CG1 4.19Å; V114-V140 HydrophobicContact CG1-CG2 4.27Å; V114-V140 HydrophobicContact CG2-CG1 4.13Å; V114-V140 HydrophobicContact CG2-CG2 4.33Å
115E98.3Very high96.8Very high55 Ų5558.3 Ų58.326%0.25729%0.287SS..Hα-helixtrans-61-44.6176.2-169.264-153.300111.6S111 D112 V113 Y118 C119 R141S111-E115 WeakPolarHBondContact O-CB 3.28Å; S111-E115 PolarHBondContact O-N 2.87Å; D112-E115 PolarHBondContact O-N 3.24Å; V113-E115 VanDerWaalsContact C-N 3.31Å; V113-E115 PolarHBondContact O-N 3.18Å; E115-Y118 PolarHBondContact O-N 3.11Å; E115-C119 VanDerWaalsContact O-CB 3.27Å; E115-C119 WeakPolarHBondContact O-CB 3.26Å; E115-C119 PolarHBondContact O-N 3.16Å; E115-C119 PolarHBondContact OE1-SG 2.91Å; E115-R141 IonicContact OE1-NH2 3.93Å; E115-R141 PolarHBondContact OE1-NH2 3.26Å; E115-R141 IonicContact OE2-CZ 3.06Å; E115-R141 IonicContact OE2-NE 3.86Å; E115-R141 IonicContact OE2-NH2 3.73Å; E115-R141 PolarHBondContact OE2-NH2 2.82Å
116D98.2Very high97Very high42 Ų4263 Ų6323%0.22531%0.307CS..Hα-helixtrans-63-44.2176-67-20.3000112.3K107 D112 V113 V114 Y118 C119 Y120 I175 H180K107-D116 VanDerWaalsContact CD-OD2 3.32Å; K107-D116 WeakPolarHBondContact CD-OD2 3.16Å; K107-D116 WeakPolarHBondContact CE-OD2 3.49Å; K107-D116 IonicContact NZ-OD1 3.2Å; K107-D116 PolarHBondContact NZ-OD1 3.21Å; K107-D116 IonicContact NZ-OD2 3.86Å; K107-D116 PolarHBondContact NZ-OD2 3.09Å; D112-D116 VanDerWaalsContact O-CG 3.24Å; D112-D116 PolarHBondContact O-N 3.23Å; V113-D116 PolarHBondContact O-N 3.04Å; V114-D116 PolarHBondContact O-N 2.95Å; D116-Y118 VanDerWaalsContact C-N 3.29Å; D116-Y118 PolarHBondContact O-N 3.46Å; D116-C119 PolarHBondContact O-N 3.4Å; D116-Y120 PolarHBondContact O-N 3.28Å; D116-Y120 VanDerWaalsContact O-N 3.1Å; D116-I175 HydrophobicContact CB-CD1 4.1Å; D116-H180 WeakPolarHBondContact CB-NE2 3.49Å; D116-H180 IonicContact OD2-CD2 3.41Å; D116-H180 IonicContact OD2-CE1 3.17Å; D116-H180 PolarHBondContact OD2-CE1 3.17Å; D116-H180 IonicContact OD2-NE2 2.74Å; D116-H180 PolarHBondContact OD2-NE2 2.89Å
117L98.1Very high97Very high1 Ų169.5 Ų69.51%0.00533%0.334CS..Hα-helixtrans-63.8-37179.4-70.8171.7000111.5V113 V114 L131 V132 L173 I175 H180V113-L117 HydrophobicContact CG1-CD1 3.91Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CB 3.48Å; V113-L117 VanDerWaalsContact O-CG 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.44Å; V113-L117 PolarHBondContact O-N 3.23Å; V114-L117 PolarHBondContact O-N 3.44Å; L117-L131 HydrophobicContact CB-CB 4.35Å; L117-L131 HydrophobicContact CD2-CB 4.17Å; L117-L131 HydrophobicContact CD2-CD1 3.74Å; L117-L131 PolarHBondContact O-N 3.19Å; L117-V132 HydrophobicContact CB-CG1 4.03Å; L117-V132 HydrophobicContact CB-CG2 3.9Å; L117-V132 HydrophobicContact CD1-CG1 4.03Å; L117-L173 HydrophobicContact CD1-CB 4.5Å; L117-L173 HydrophobicContact CD1-CD1 3.93Å; L117-L173 HydrophobicContact CD2-CB 3.9Å; L117-L173 HydrophobicContact CD2-CD1 4.31Å; L117-I175 HydrophobicContact CD2-CD1 4.21Å; L117-I175 HydrophobicContact CD2-CG1 4.15Å; L117-H180 HydrophobicContact CD2-CB 4.47Å
118Y98.3Very high97Very high35 Ų3569.8 Ų69.814%0.13734%0.336CS..Hα-helixtrans-72.3-47.6175.1-178.2-100.8000111V114 E115 D116 Y120 H128 P130 K134 R137V114-Y118 WeakPolarHBondContact O-CB 3.41Å; V114-Y118 PolarHBondContact O-N 3.42Å; E115-Y118 PolarHBondContact O-N 3.11Å; D116-Y118 VanDerWaalsContact C-N 3.29Å; D116-Y118 PolarHBondContact O-N 3.46Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y118-H128 PolarHBondContact O-NE2 3.43Å; Y118-P130 HydrophobicContact CD2-CB 4.04Å; Y118-P130 HydrophobicContact CE2-CB 4.36Å; Y118-P130 WeakPolarHBondContact O-CB 3.46Å; Y118-K134 VanDerWaalsContact CE2-CA 3.44Å; Y118-K134 HydrophobicContact CE2-CB 3.67Å; Y118-K134 HydrophobicContact CE2-CG 4.14Å; Y118-R137 HydrophobicContact CD1-CG 4.11Å; Y118-R137 HydrophobicContact CD2-CB 3.99Å; Y118-R137 HydrophobicContact CD2-CG 4.43Å; Y118-R137 HydrophobicContact CG-CB 3.91Å; Y118-R137 HydrophobicContact CG-CG 3.86Å
119C97.8Very high97.2Very high61 Ų6168.2 Ų68.241%0.41233%0.326SS..SBendtrans-78.37-176.1-72.20000114.3E115 D116 I121E115-C119 VanDerWaalsContact O-CB 3.27Å; E115-C119 WeakPolarHBondContact O-CB 3.26Å; E115-C119 PolarHBondContact O-N 3.16Å; E115-C119 PolarHBondContact OE1-SG 2.91Å; D116-C119 PolarHBondContact O-N 3.4Å; C119-I121 PolarHBondContact O-N 3.11Å
120Y97.6Very high97.2Very high37 Ų3762.8 Ų62.815%0.14531%0.31CS..  trans-57.8126.7179.2174.9-121.4000112.3D116 Y118 P123 H128 S129 L131 I175 N176D116-Y120 PolarHBondContact O-N 3.28Å; D116-Y120 VanDerWaalsContact O-N 3.1Å; Y118-Y120 PolarHBondContact O-N 3.49Å; Y120-P123 WeakPolarHBondContact OH-CD 3.21Å; Y120-H128 PolarHBondContact O-CD2 2.86Å; Y120-S129 WeakPolarHBondContact CD1-O 3.26Å; Y120-S129 PolarHBondContact O-N 3.5Å; Y120-L131 HydrophobicContact CD1-CD1 4.33Å; Y120-L131 HydrophobicContact CD1-CD2 4.48Å; Y120-L131 HydrophobicContact CD1-CG 4.12Å; Y120-I175 HydrophobicContact CD2-CG1 4.48Å; Y120-I175 HydrophobicContact CD2-CG2 3.8Å; Y120-I175 HydrophobicContact CE2-CG2 3.95Å; Y120-N176 WeakPolarHBondContact CE2-OD1 3.46Å
121I96.7Very high97.1Very high99 Ų9964.9 Ų64.951%0.50832%0.321SS..BIsolated β-bridgetrans-110.9123.4173.7-63.6171.6000107.7C119C119-I121 PolarHBondContact O-N 3.11Å
122N95.2Very high97.1Very high44 Ų4463.9 Ų63.924%0.23531%0.314CS..  trans-62.2122.4177.9179.2-50.6000109.7R124 T125 K126 K127N122-R124 PolarHBondContact O-N 3.18Å; N122-R124 WeakPolarHBondContact OD1-CB 3.19Å; N122-R124 PolarHBondContact OD1-N 3.44Å; N122-T125 VanDerWaalsContact CB-OG1 3.31Å; N122-T125 WeakPolarHBondContact CB-OG1 3.47Å; N122-T125 PolarHBondContact OD1-N 3.07Å; N122-T125 VanDerWaalsContact OD1-N 3.11Å; N122-K126 VanDerWaalsContact O-CA 3.26Å; N122-K126 WeakPolarHBondContact O-CA 3.37Å; N122-K126 PolarHBondContact O-N 3.45Å; N122-K127 PolarHBondContact N-O 2.94Å
123P94.5Very high97.1Very high61 Ų6161.7 Ų61.740%0.39630%0.304SS..THydrogen-bonded Turntrans-67-23-171.426.4-36000113.4Y120 K126 N176Y120-P123 WeakPolarHBondContact OH-CD 3.21Å; P123-K126 VanDerWaalsContact O-CE 3.28Å; P123-K126 WeakPolarHBondContact O-CE 3.42Å; P123-K126 PolarHBondContact O-NZ 3.43Å; P123-N176 WeakPolarHBondContact CD-OD1 3.24Å; P123-N176 WeakPolarHBondContact CG-OD1 3.42Å
124R95.5Very high97Very high235 Ų23567.5 Ų67.589%0.88733%0.329SS*.THydrogen-bonded Turntrans-87.4-47.5-179.4-62.7-173.9178.6-154.8-0.2112.1N122N122-R124 PolarHBondContact O-N 3.18Å; N122-R124 WeakPolarHBondContact OD1-CB 3.19Å; N122-R124 PolarHBondContact OD1-N 3.44Å
125T95.9Very high96.9Very high79 Ų7971.5 Ų71.549%0.48536%0.357SS..THydrogen-bonded Turntrans-89-13.7-177.162.50000113.2N122 K127N122-T125 VanDerWaalsContact CB-OG1 3.31Å; N122-T125 WeakPolarHBondContact CB-OG1 3.47Å; N122-T125 PolarHBondContact OD1-N 3.07Å; N122-T125 VanDerWaalsContact OD1-N 3.11Å; T125-K127 PolarHBondContact O-N 2.9Å; T125-K127 VanDerWaalsContact O-N 3.09Å; T125-K127 PolarHBondContact OG1-N 2.64Å
126K95.3Very high96.9Very high157 Ų15769.1 Ų69.168%0.68335%0.346SS*.  trans56.816.8-172.5-52-57.2-173.1-167.70113.9N122 P123N122-K126 VanDerWaalsContact O-CA 3.26Å; N122-K126 WeakPolarHBondContact O-CA 3.37Å; N122-K126 PolarHBondContact O-N 3.45Å; P123-K126 VanDerWaalsContact O-CE 3.28Å; P123-K126 WeakPolarHBondContact O-CE 3.42Å; P123-K126 PolarHBondContact O-NZ 3.43Å
127K96.6Very high96.9Very high148 Ų14869 Ų6964%0.64334%0.343SS*.  trans-91.7143.1177.5-66.6-176178.4-177.20110.3N122 T125 S129N122-K127 PolarHBondContact N-O 2.94Å; T125-K127 PolarHBondContact O-N 2.9Å; T125-K127 VanDerWaalsContact O-N 3.09Å; T125-K127 PolarHBondContact OG1-N 2.64Å; K127-S129 PolarHBondContact O-N 2.86Å; K127-S129 PolarHBondContact O-OG 3.4Å
128H97.3Very high96.9Very high95 Ų9571 Ų7144%0.4435%0.353SS..BIsolated β-bridgetrans-57.6126.6165.1-176.9-124.8000108.9Y118 Y120Y118-H128 PolarHBondContact O-NE2 3.43Å; Y120-H128 PolarHBondContact O-CD2 2.86Å
129S96.5Very high96.9Very high42 Ų4270.4 Ų70.429%0.29435%0.351SS..  trans-142.863.1-172.3-65.70000109.5Y120 K127Y120-S129 WeakPolarHBondContact CD1-O 3.26Å; Y120-S129 PolarHBondContact O-N 3.5Å; K127-S129 PolarHBondContact O-N 2.86Å; K127-S129 PolarHBondContact O-OG 3.4Å
130P97.2Very high96.9Very high40 Ų4067.7 Ų67.726%0.2633%0.333SS..  trans-57.6143.1-16926.2-35.7000111.9Y118 V132 P227Y118-P130 HydrophobicContact CD2-CB 4.04Å; Y118-P130 HydrophobicContact CE2-CB 4.36Å; Y118-P130 WeakPolarHBondContact O-CB 3.46Å; P130-V132 WeakPolarHBondContact CB-O 3.2Å; P130-P227 HydrophobicContact CB-CG 4.47Å; P130-P227 HydrophobicContact CG-CG 4.2Å; P130-P227 WeakPolarHBondContact O-CG 3.23Å
131L97.1Very high96.8Very high44 Ų4472.1 Ų72.123%0.2335%0.349CS..SBendtrans-93.3-16.5175.7-62.4173.7000112.5L117 Y120 L173 K174 I175L117-L131 HydrophobicContact CB-CB 4.35Å; L117-L131 HydrophobicContact CD2-CB 4.17Å; L117-L131 HydrophobicContact CD2-CD1 3.74Å; L117-L131 PolarHBondContact O-N 3.19Å; Y120-L131 HydrophobicContact CD1-CD1 4.33Å; Y120-L131 HydrophobicContact CD1-CD2 4.48Å; Y120-L131 HydrophobicContact CD1-CG 4.12Å; L131-L173 HydrophobicContact CB-CD1 4.42Å; L131-K174 VanDerWaalsContact CD1-O 3.26Å; L131-K174 WeakPolarHBondContact CD1-O 3.39Å; L131-I175 HydrophobicContact CD1-CG1 4.02Å
132V98.1Very high96.9Very high0 Ų074.6 Ų74.60%036%0.359CS..SBendtrans-122152.9173.5-65.80000110.2V114 L117 P130 L136 L173 G225V114-V132 HydrophobicContact CG1-CG2 4.21Å; L117-V132 HydrophobicContact CB-CG1 4.03Å; L117-V132 HydrophobicContact CB-CG2 3.9Å; L117-V132 HydrophobicContact CD1-CG1 4.03Å; P130-V132 WeakPolarHBondContact CB-O 3.2Å; V132-L136 HydrophobicContact CB-CD2 4.13Å; V132-L136 HydrophobicContact CG1-CD2 4.37Å; V132-L173 HydrophobicContact CG1-CD1 4.07Å; V132-G225 CarbonylContact C-O 3.58Å; V132-G225 WeakPolarHBondContact CA-O 3.41Å
133S97.5Very high97Very high17 Ų1774.7 Ų74.712%0.11936%0.359CS..  trans-68.4157.1179.473.30000111.7S135 L136 R137 G225S133-S135 VanDerWaalsContact C-N 3.33Å; S133-S135 PolarHBondContact OG-OG 3.47Å; S133-L136 PolarHBondContact O-N 3.31Å; S133-L136 WeakPolarHBondContact OG-CB 3.46Å; S133-L136 PolarHBondContact OG-N 3.38Å; S133-L136 VanDerWaalsContact OG-N 3.07Å; S133-R137 PolarHBondContact O-N 3.2Å; S133-R137 VanDerWaalsContact O-N 3.1Å; S133-G225 PolarHBondContact N-O 2.84Å
134K97.1Very high97.1Very high124 Ų12473 Ų7354%0.53935%0.35SS..Hα-helixtrans-60.7-43.7171.9-176.1-177.5172.6-167.30111.4Y118 L136 R137 D138Y118-K134 VanDerWaalsContact CE2-CA 3.44Å; Y118-K134 HydrophobicContact CE2-CB 3.67Å; Y118-K134 HydrophobicContact CE2-CG 4.14Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.98Å; K134-R137 PolarHBondContact O-N 2.87Å; K134-R137 VanDerWaalsContact O-N 3.16Å; K134-D138 VanDerWaalsContact CE-OD2 3.3Å; K134-D138 WeakPolarHBondContact CE-OD2 3.47Å; K134-D138 WeakPolarHBondContact CG-OD2 3.29Å; K134-D138 VanDerWaalsContact O-CG 3.31Å; K134-D138 PolarHBondContact O-N 3.21Å
135S96.4Very high97.2Very high86 Ų8663.9 Ų63.960%0.60133%0.33SS*.Hα-helixtrans-58.4-42.4179.253.40000112.2S133 F139S133-S135 VanDerWaalsContact C-N 3.33Å; S133-S135 PolarHBondContact OG-OG 3.47Å; S135-F139 WeakPolarHBondContact O-CB 3.47Å; S135-F139 PolarHBondContact O-N 2.98Å; S135-F139 VanDerWaalsContact O-N 3.08Å
136L97.9Very high97.3Very high5 Ų565.9 Ų65.93%0.02633%0.329CS..Hα-helixtrans-65.3-45.8175.6-176.6144.6000111.2V114 V132 S133 K134 D138 F139 V140 R189 I192 G225V114-L136 HydrophobicContact CG1-CD2 3.61Å; V114-L136 HydrophobicContact CG2-CD2 4.23Å; V132-L136 HydrophobicContact CB-CD2 4.13Å; V132-L136 HydrophobicContact CG1-CD2 4.37Å; S133-L136 PolarHBondContact O-N 3.31Å; S133-L136 WeakPolarHBondContact OG-CB 3.46Å; S133-L136 PolarHBondContact OG-N 3.38Å; S133-L136 VanDerWaalsContact OG-N 3.07Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.98Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 2.98Å; L136-F139 PolarHBondContact O-N 3.05Å; L136-V140 HydrophobicContact CD2-CG2 3.98Å; L136-V140 HydrophobicContact CG-CG2 4.33Å; L136-V140 WeakPolarHBondContact O-CB 3.4Å; L136-V140 WeakPolarHBondContact O-CG2 3.09Å; L136-V140 PolarHBondContact O-N 3.39Å; L136-R189 HydrophobicContact CD1-CG 3.8Å; L136-I192 HydrophobicContact CD1-CB 4.3Å; L136-I192 HydrophobicContact CD1-CG2 4.04Å; L136-I192 HydrophobicContact CG-CG2 4.01Å; L136-G225 VanDerWaalsContact CD1-CA 3.4Å
137R98Very high97.5Very high40 Ų4058.4 Ų58.415%0.15130%0.296CS..Hα-helixtrans-58.8-45.6178.5-176.7-87.7-86.8178.5-14.6111.7V114 Y118 S133 K134 V140 R141V114-R137 HydrophobicContact CG1-CB 4.18Å; V114-R137 HydrophobicContact CG1-CG 4.3Å; Y118-R137 HydrophobicContact CD1-CG 4.11Å; Y118-R137 HydrophobicContact CD2-CB 3.99Å; Y118-R137 HydrophobicContact CD2-CG 4.43Å; Y118-R137 HydrophobicContact CG-CB 3.91Å; Y118-R137 HydrophobicContact CG-CG 3.86Å; S133-R137 PolarHBondContact O-N 3.2Å; S133-R137 VanDerWaalsContact O-N 3.1Å; K134-R137 PolarHBondContact O-N 2.87Å; K134-R137 VanDerWaalsContact O-N 3.16Å; R137-V140 PolarHBondContact O-N 3.28Å; R137-R141 VanDerWaalsContact NH1-CZ 3.28Å; R137-R141 WeakPolarHBondContact O-CB 3.43Å; R137-R141 PolarHBondContact O-N 2.8Å
138D98Very high97.5Very high43 Ų4353 Ų5323%0.2327%0.274CS..Hα-helixtrans-64.1-47.6-177.6-69.4-15.8000110.4K134 L136 V140 R141 E142K134-D138 VanDerWaalsContact CE-OD2 3.3Å; K134-D138 WeakPolarHBondContact CE-OD2 3.47Å; K134-D138 WeakPolarHBondContact CG-OD2 3.29Å; K134-D138 VanDerWaalsContact O-CG 3.31Å; K134-D138 PolarHBondContact O-N 3.21Å; L136-D138 VanDerWaalsContact C-N 3.33Å; L136-D138 PolarHBondContact O-N 2.98Å; D138-V140 VanDerWaalsContact C-N 3.35Å; D138-V140 PolarHBondContact O-N 3.23Å; D138-R141 WeakPolarHBondContact O-CB 3.47Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 VanDerWaalsContact O-N 3.16Å; D138-E142 WeakPolarHBondContact O-CG 3.48Å; D138-E142 PolarHBondContact O-N 3.23Å
139F97.8Very high97.6Very high22 Ų2255.1 Ų55.110%0.09629%0.289CS..Hα-helixtrans-58.9-43.4175.3-178.7-95.8000112.9S135 L136 R141 E142 N143 L147 I192 T196 I199S135-F139 WeakPolarHBondContact O-CB 3.47Å; S135-F139 PolarHBondContact O-N 2.98Å; S135-F139 VanDerWaalsContact O-N 3.08Å; L136-F139 PolarHBondContact O-N 3.05Å; F139-R141 VanDerWaalsContact C-N 3.34Å; F139-E142 PolarHBondContact O-N 3.43Å; F139-N143 WeakPolarHBondContact O-CB 3.37Å; F139-N143 PolarHBondContact O-N 2.95Å; F139-N143 PolarHBondContact O-ND2 2.83Å; F139-L147 HydrophobicContact CD1-CD1 4.36Å; F139-L147 HydrophobicContact CE1-CD1 4.25Å; F139-I192 HydrophobicContact CD1-CD1 4.37Å; F139-I192 HydrophobicContact CD1-CG1 4.37Å; F139-I192 HydrophobicContact CD1-CG2 3.5Å; F139-I192 HydrophobicContact CE1-CD1 4.35Å; F139-I192 HydrophobicContact CE1-CG1 4.09Å; F139-I192 HydrophobicContact CE1-CG2 3.88Å; F139-I192 HydrophobicContact CG-CG2 4.36Å; F139-T196 WeakPolarHBondContact CD2-O 3.49Å; F139-T196 VanDerWaalsContact CE2-O 3.23Å; F139-T196 WeakPolarHBondContact CE2-O 3.39Å; F139-T196 VanDerWaalsContact CZ-O 3.26Å; F139-T196 WeakPolarHBondContact CZ-O 3.4Å; F139-I199 HydrophobicContact CZ-CB 3.81Å; F139-I199 HydrophobicContact CZ-CG1 4.4Å
140V98.1Very high97.6Very high3 Ų354.3 Ų54.32%0.01828%0.284CS..Hα-helixtrans-65.1-38.9177.6170.90000111.4F110 V114 L136 R137 D138 N143 A144 L147 I192F110-V140 HydrophobicContact CD1-CG1 4.13Å; F110-V140 HydrophobicContact CE1-CG1 3.95Å; F110-V140 HydrophobicContact CE1-CG2 3.72Å; F110-V140 HydrophobicContact CZ-CG2 4.17Å; V114-V140 HydrophobicContact CB-CG1 4.09Å; V114-V140 HydrophobicContact CG1-CB 4.15Å; V114-V140 HydrophobicContact CG1-CG1 4.19Å; V114-V140 HydrophobicContact CG1-CG2 4.27Å; V114-V140 HydrophobicContact CG2-CG1 4.13Å; V114-V140 HydrophobicContact CG2-CG2 4.33Å; L136-V140 HydrophobicContact CD2-CG2 3.98Å; L136-V140 HydrophobicContact CG-CG2 4.33Å; L136-V140 WeakPolarHBondContact O-CB 3.4Å; L136-V140 WeakPolarHBondContact O-CG2 3.09Å; L136-V140 PolarHBondContact O-N 3.39Å; R137-V140 PolarHBondContact O-N 3.28Å; D138-V140 VanDerWaalsContact C-N 3.35Å; D138-V140 PolarHBondContact O-N 3.23Å; V140-N143 CarbonylContact O-C 3.53Å; V140-N143 PolarHBondContact O-N 3.18Å; V140-A144 WeakPolarHBondContact O-CA 3.28Å; V140-A144 WeakPolarHBondContact O-CB 3.43Å; V140-A144 PolarHBondContact O-N 2.79Å; V140-L147 HydrophobicContact CB-CD1 4.3Å; V140-L147 HydrophobicContact CG1-CD1 4.42Å; V140-L147 HydrophobicContact CG2-CD1 4.05Å; V140-I192 HydrophobicContact CG2-CD1 3.72Å
141R96.8Very high97.7Very high130 Ų13053 Ų5349%0.49128%0.275SS..Hα-helixtrans-65.6-44.2178-176.8-178.9-70.4-165-2.1111.5E115 R137 D138 F139 N143E115-R141 IonicContact OE1-NH2 3.93Å; E115-R141 PolarHBondContact OE1-NH2 3.26Å; E115-R141 IonicContact OE2-CZ 3.06Å; E115-R141 IonicContact OE2-NE 3.86Å; E115-R141 IonicContact OE2-NH2 3.73Å; E115-R141 PolarHBondContact OE2-NH2 2.82Å; R137-R141 VanDerWaalsContact NH1-CZ 3.28Å; R137-R141 WeakPolarHBondContact O-CB 3.43Å; R137-R141 PolarHBondContact O-N 2.8Å; D138-R141 WeakPolarHBondContact O-CB 3.47Å; D138-R141 PolarHBondContact O-N 3.41Å; D138-R141 VanDerWaalsContact O-N 3.16Å; F139-R141 VanDerWaalsContact C-N 3.34Å; R141-N143 VanDerWaalsContact C-N 3.3Å; R141-N143 PolarHBondContact O-N 2.79Å
142E97.5Very high97.7Very high152 Ų15253.8 Ų53.871%0.7128%0.28SS*.Hα-helixtrans-65.1-34.2178.9-71.7169.1-171.500112.3D138 F139D138-E142 WeakPolarHBondContact O-CG 3.48Å; D138-E142 PolarHBondContact O-N 3.23Å; F139-E142 PolarHBondContact O-N 3.43Å
143N98Very high97.7Very high45 Ų4555.8 Ų55.824%0.24129%0.288CS..THydrogen-bonded Turntrans-110.120.2-175.4-63.3-82.6000113.7F139 V140 R141 G145 R146 L147 I199F139-N143 WeakPolarHBondContact O-CB 3.37Å; F139-N143 PolarHBondContact O-N 2.95Å; F139-N143 PolarHBondContact O-ND2 2.83Å; V140-N143 CarbonylContact O-C 3.53Å; V140-N143 PolarHBondContact O-N 3.18Å; R141-N143 VanDerWaalsContact C-N 3.3Å; R141-N143 PolarHBondContact O-N 2.79Å; N143-G145 VanDerWaalsContact C-N 3.33Å; N143-G145 PolarHBondContact O-N 3.02Å; N143-R146 PolarHBondContact O-N 3.15Å; N143-L147 HydrophobicContact CB-CD1 3.88Å; N143-L147 HydrophobicContact CB-CG 4.08Å; N143-L147 WeakPolarHBondContact O-CG 3.41Å; N143-L147 PolarHBondContact O-N 2.92Å; N143-I199 HydrophobicContact CB-CD1 3.59Å
144A97.3Very high97.6Very high25 Ų2560.5 Ų60.521%0.20731%0.308CS..Hα-helixtrans-55.9-42.6-166.300000113.7V140 N148V140-A144 WeakPolarHBondContact O-CA 3.28Å; V140-A144 WeakPolarHBondContact O-CB 3.43Å; V140-A144 PolarHBondContact O-N 2.79Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.18Å; A144-N148 PolarHBondContact O-ND2 2.88Å
145G97.4Very high97.6Very high45 Ų4556.7 Ų56.746%0.46429%0.29SS..Hα-helixtrans-58.7-57.8178.700000111.4N143 L147 N148 D149N143-G145 VanDerWaalsContact C-N 3.33Å; N143-G145 PolarHBondContact O-N 3.02Å; G145-L147 VanDerWaalsContact C-N 3.34Å; G145-L147 PolarHBondContact O-N 3.32Å; G145-N148 PolarHBondContact O-N 2.87Å; G145-D149 WeakPolarHBondContact O-CB 3.33Å; G145-D149 PolarHBondContact O-N 3.03Å
146R97.9Very high97.6Very high121 Ų12152.6 Ų52.646%0.45726%0.261SS..Hα-helixtrans-60.8-40.5-177.7-170.6172.6-179.8-156.9-3.4113N143 A150 I199 D200 I203N143-R146 PolarHBondContact O-N 3.15Å; R146-A150 WeakPolarHBondContact O-CB 3.35Å; R146-A150 PolarHBondContact O-N 3.36Å; R146-I199 HydrophobicContact CB-CD1 4.25Å; R146-I199 HydrophobicContact CG-CD1 4.13Å; R146-D200 IonicContact CZ-OD1 3.25Å; R146-D200 IonicContact NH1-OD1 2.73Å; R146-D200 PolarHBondContact NH1-OD1 3.4Å; R146-D200 IonicContact NH2-OD1 2.84Å; R146-D200 PolarHBondContact NH2-OD1 2.68Å; R146-I203 HydrophobicContact CG-CD1 4.04Å
147L98Very high97.5Very high0 Ų053.7 Ų53.70%027%0.265CS..Hα-helixtrans-72-39.4179.6-67.6172.8000112.6F110 F139 V140 N143 G145 D149 I151 M188 I192 I199F110-L147 HydrophobicContact CD1-CB 4.42Å; F139-L147 HydrophobicContact CD1-CD1 4.36Å; F139-L147 HydrophobicContact CE1-CD1 4.25Å; V140-L147 HydrophobicContact CB-CD1 4.3Å; V140-L147 HydrophobicContact CG1-CD1 4.42Å; V140-L147 HydrophobicContact CG2-CD1 4.05Å; N143-L147 HydrophobicContact CB-CD1 3.88Å; N143-L147 HydrophobicContact CB-CG 4.08Å; N143-L147 WeakPolarHBondContact O-CG 3.41Å; N143-L147 PolarHBondContact O-N 2.92Å; G145-L147 VanDerWaalsContact C-N 3.34Å; G145-L147 PolarHBondContact O-N 3.32Å; L147-D149 VanDerWaalsContact C-N 3.34Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-M188 HydrophobicContact CD2-CE 4.49Å; L147-M188 HydrophobicContact CD2-SD 3.93Å; L147-I192 HydrophobicContact CD1-CD1 3.77Å; L147-I192 HydrophobicContact CD2-CD1 3.99Å; L147-I192 HydrophobicContact CD2-CG1 4.46Å; L147-I192 HydrophobicContact CG-CD1 4.5Å; L147-I199 HydrophobicContact CD2-CD1 4.07Å; L147-I199 HydrophobicContact CD2-CG1 4.28Å; L147-I199 HydrophobicContact CG-CD1 4.22Å
148N98.2Very high97.3Very high33 Ų3355.5 Ų55.518%0.17628%0.281CS..Hα-helixtrans-65.8-39.5175.5-75.1-40.4000111.2F110 S111 A144 G145 I151F110-N148 WeakPolarHBondContact CB-OD1 3.19Å; F110-N148 PolarHBondContact N-OD1 2.87Å; S111-N148 PolarHBondContact N-OD1 3.12Å; S111-N148 VanDerWaalsContact N-OD1 3.16Å; S111-N148 PolarHBondContact OG-ND2 3.47Å; A144-N148 WeakPolarHBondContact O-CB 3.48Å; A144-N148 PolarHBondContact O-N 3.18Å; A144-N148 PolarHBondContact O-ND2 2.88Å; G145-N148 PolarHBondContact O-N 2.87Å; N148-I151 PolarHBondContact O-N 3.47Å
149D97.9Very high97.1Very high140 Ų14053.6 Ų53.675%0.74927%0.27SS*.Hα-helixtrans-71.5-30.8179.9-68.1-16.1000112.7G145 L147 I151G145-D149 WeakPolarHBondContact O-CB 3.33Å; G145-D149 PolarHBondContact O-N 3.03Å; L147-D149 VanDerWaalsContact C-N 3.34Å; D149-I151 VanDerWaalsContact C-N 3.3Å; D149-I151 PolarHBondContact O-N 3.01Å
150A98Very high96.7Very high25 Ų2554.5 Ų54.521%0.20728%0.276CS..Hα-helixtrans-70.5-23.8178.100000113.5R146 D152 M188 I203 Y206R146-A150 WeakPolarHBondContact O-CB 3.35Å; R146-A150 PolarHBondContact O-N 3.36Å; A150-D152 PolarHBondContact O-N 3.45Å; A150-M188 HydrophobicContact CB-CE 4.04Å; A150-I203 HydrophobicContact CB-CD1 4.23Å; A150-I203 HydrophobicContact CB-CG1 4.19Å; A150-I203 HydrophobicContact CB-CG2 4.34Å; A150-Y206 VanDerWaalsContact O-CE1 3.26Å; A150-Y206 WeakPolarHBondContact O-CE1 3.47Å
151I98.4Very high96.3Very high12 Ų1254.5 Ų54.56%0.06228%0.276CS..  trans-79.4120.5-175-69.2167.9000111.3F110 L147 N148 D149 Y153 Q184 M188 Y206F110-I151 HydrophobicContact CB-CD1 3.36Å; F110-I151 HydrophobicContact CD1-CD1 3.96Å; F110-I151 HydrophobicContact CD2-CD1 4.19Å; F110-I151 HydrophobicContact CG-CD1 3.59Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; N148-I151 PolarHBondContact O-N 3.47Å; D149-I151 VanDerWaalsContact C-N 3.3Å; D149-I151 PolarHBondContact O-N 3.01Å; I151-Y153 HydrophobicContact CB-CE2 4.39Å; I151-Y153 HydrophobicContact CG2-CD1 3.96Å; I151-Y153 HydrophobicContact CG2-CD2 4.13Å; I151-Y153 HydrophobicContact CG2-CE1 3.53Å; I151-Y153 HydrophobicContact CG2-CE2 3.73Å; I151-Y153 HydrophobicContact CG2-CG 4.22Å; I151-Q184 HydrophobicContact CG2-CB 3.68Å; I151-Q184 HydrophobicContact CG2-CG 4.3Å; I151-M188 HydrophobicContact CD1-CB 3.98Å; I151-M188 HydrophobicContact CD1-CE 4.41Å; I151-M188 HydrophobicContact CD1-CG 4.05Å; I151-M188 HydrophobicContact CG1-CB 4.22Å; I151-M188 HydrophobicContact CG1-CE 3.72Å; I151-M188 HydrophobicContact CG1-CG 4.32Å; I151-Y206 WeakPolarHBondContact CA-OH 3.46Å; I151-Y206 HydrophobicContact CG1-CE2 4.39Å
152D97.9Very high95.9Very high62 Ų6248.8 Ų48.833%0.33226%0.255SS..  trans-100.697.9173.3179.36.1000111.5A150 Q154 R155 Q184 Y206A150-D152 PolarHBondContact O-N 3.45Å; D152-Q154 PolarHBondContact O-N 3.32Å; D152-Q154 VanDerWaalsContact OD1-CB 3.24Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.16Å; D152-Q154 PolarHBondContact OD1-N 3.06Å; D152-R155 HydrophobicContact CB-CG 4.12Å; D152-R155 WeakPolarHBondContact O-CB 3.45Å; D152-R155 PolarHBondContact O-N 2.78Å; D152-R155 VanDerWaalsContact O-N 3.17Å; D152-R155 WeakPolarHBondContact OD2-CG 3.47Å; D152-R155 IonicContact OD2-NE 3.86Å; D152-R155 PolarHBondContact OD2-NE 3.3Å; D152-Q184 WeakPolarHBondContact O-CG 3.36Å; D152-Y206 PolarHBondContact N-OH 2.82Å
153Y97.3Very high95.6Very high42 Ų4241.6 Ų41.617%0.16522%0.221CC..G310 helixtrans-66.5-14.6178.3-64-71.6000114.4S108 I151 R155 D156 Y157 Q184 H185S108-Y153 WeakPolarHBondContact O-CE2 3.3Å; S108-Y153 PolarHBondContact O-OH 3.02Å; I151-Y153 HydrophobicContact CB-CE2 4.39Å; I151-Y153 HydrophobicContact CG2-CD1 3.96Å; I151-Y153 HydrophobicContact CG2-CD2 4.13Å; I151-Y153 HydrophobicContact CG2-CE1 3.53Å; I151-Y153 HydrophobicContact CG2-CE2 3.73Å; I151-Y153 HydrophobicContact CG2-CG 4.22Å; Y153-R155 PolarHBondContact O-N 3.49Å; Y153-D156 PolarHBondContact O-N 2.91Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.23Å; Y153-Q184 HydrophobicContact CD1-CB 4.36Å; Y153-Q184 HydrophobicContact CE1-CB 4.45Å; Y153-H185 AromaticContact CE1-CD2 3.7Å; Y153-H185 AromaticContact CE1-NE2 3.3Å; Y153-H185 VanDerWaalsContact CE1-NE2 3.3Å; Y153-H185 WeakPolarHBondContact CE1-NE2 3.47Å; Y153-H185 AromaticContact CZ-NE2 3.53Å; Y153-H185 PolarHBondContact OH-CD2 3.13Å; Y153-H185 PolarHBondContact OH-NE2 3.23Å
154Q95.9Very high95.4Very high115 Ų11539.4 Ų39.454%0.53721%0.21SC..G310 helixtrans-66.8-25.4174.3-61.6-58.1-44.100111.3D152 D156 Y157D152-Q154 PolarHBondContact O-N 3.32Å; D152-Q154 VanDerWaalsContact OD1-CB 3.24Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.16Å; D152-Q154 PolarHBondContact OD1-N 3.06Å; Q154-D156 PolarHBondContact O-N 2.84Å; Q154-Y157 WeakPolarHBondContact O-CB 3.29Å; Q154-Y157 PolarHBondContact O-N 3.14Å
155R96.5Very high95.1Very high45 Ų4540 Ų4017%0.1721%0.207CC..G310 helixtrans-65.3-24.6178.2-63.2175.4-175.6-169.4-13.2113D152 Y153 Y157 T158 N207 S210 E211D152-R155 HydrophobicContact CB-CG 4.12Å; D152-R155 WeakPolarHBondContact O-CB 3.45Å; D152-R155 PolarHBondContact O-N 2.78Å; D152-R155 VanDerWaalsContact O-N 3.17Å; D152-R155 WeakPolarHBondContact OD2-CG 3.47Å; D152-R155 IonicContact OD2-NE 3.86Å; D152-R155 PolarHBondContact OD2-NE 3.3Å; Y153-R155 PolarHBondContact O-N 3.49Å; R155-Y157 PolarHBondContact O-N 3.47Å; R155-T158 WeakPolarHBondContact O-CB 3.41Å; R155-T158 PolarHBondContact O-N 2.98Å; R155-T158 VanDerWaalsContact O-N 3.16Å; R155-T158 PolarHBondContact O-OG1 3.23Å; R155-N207 PolarHBondContact NH1-OD1 2.72Å; R155-S210 PolarHBondContact NH1-OG 2.87Å; R155-E211 IonicContact CZ-OE1 2.7Å; R155-E211 IonicContact NH1-OE1 3.91Å; R155-E211 PolarHBondContact NH1-OE1 2.96Å; R155-E211 IonicContact NH2-OE1 2.98Å; R155-E211 PolarHBondContact NH2-OE1 3.18Å
156D97.4Very high94.8Very high0 Ų039.2 Ų39.20%019%0.194CC..G310 helixtrans-62.1-31.3172.7-74.2-18000112.2V99 H103 Y153 Q154 T158 Y159 P183 Q184V99-D156 HydrophobicContact CG1-CB 3.58Å; V99-D156 WeakPolarHBondContact CG2-O 3.44Å; H103-D156 IonicContact CD2-OD2 2.89Å; H103-D156 IonicContact CE1-OD2 2.86Å; H103-D156 PolarHBondContact CE1-OD2 2.66Å; H103-D156 IonicContact NE2-OD2 2.7Å; H103-D156 PolarHBondContact NE2-OD2 2.81Å; Y153-D156 PolarHBondContact O-N 2.91Å; Q154-D156 PolarHBondContact O-N 2.84Å; D156-T158 PolarHBondContact O-N 3.36Å; D156-Y159 WeakPolarHBondContact O-CD2 3.38Å; D156-Y159 PolarHBondContact O-N 2.48Å; D156-P183 VanDerWaalsContact OD1-CB 3.23Å; D156-P183 WeakPolarHBondContact OD1-CB 3.34Å; D156-Q184 WeakPolarHBondContact OD1-CG 2.98Å; D156-Q184 PolarHBondContact OD1-N 3.18Å; D156-Q184 VanDerWaalsContact OD1-N 3.1Å; D156-Q184 PolarHBondContact OD1-NE2 2.92Å
157Y95.4Very high94.5Very high27 Ų2733.5 Ų33.511%0.10617%0.172CC..G310 helixtrans-76.3-2.2-179.8-64.4-95.5000113.5M41 R96 V99 H103 Y153 Q154 R155M41-Y157 HydrophobicContact SD-CE1 4.27Å; R96-Y157 HydrophobicContact CB-CD1 3.99Å; R96-Y157 HydrophobicContact CG-CD1 3.91Å; V99-Y157 HydrophobicContact CB-CE1 4.5Å; V99-Y157 HydrophobicContact CG1-CD1 4.13Å; V99-Y157 HydrophobicContact CG1-CD2 4.13Å; V99-Y157 HydrophobicContact CG1-CE1 4.01Å; V99-Y157 HydrophobicContact CG1-CE2 3.99Å; V99-Y157 HydrophobicContact CG1-CG 4.19Å; H103-Y157 AromaticContact CE1-CE2 3.64Å; H103-Y157 AromaticContact ND1-CE2 3.8Å; H103-Y157 AromaticContact ND1-CZ 3.93Å; H103-Y157 PolarHBondContact ND1-OH 3.1Å; Y153-Y157 WeakPolarHBondContact O-CD2 3.23Å; Q154-Y157 WeakPolarHBondContact O-CB 3.29Å; Q154-Y157 PolarHBondContact O-N 3.14Å; R155-Y157 PolarHBondContact O-N 3.47Å
158T92.9Very high94.3Very high78 Ų7835.5 Ų35.548%0.47918%0.182SC..G310 helixtrans-91.1-13.7176.973.90000112.7R155 D156 K212R155-T158 WeakPolarHBondContact O-CB 3.41Å; R155-T158 PolarHBondContact O-N 2.98Å; R155-T158 VanDerWaalsContact O-N 3.16Å; R155-T158 PolarHBondContact O-OG1 3.23Å; D156-T158 PolarHBondContact O-N 3.36Å; T158-K212 VanDerWaalsContact C-NZ 3.27Å; T158-K212 PolarHBondContact O-NZ 3.39Å; T158-K212 WeakPolarHBondContact OG1-CE 3.23Å; T158-K212 PolarHBondContact OG1-NZ 2.89Å
159Y93.6Very high93.8Very high3 Ų341.7 Ų41.71%0.01220%0.203CC..SBendtrans-66.9145.4173.7-73.5-72.3000110.4A95 D156 L167 P183 I632A95-Y159 WeakPolarHBondContact CB-O 3.45Å; D156-Y159 WeakPolarHBondContact O-CD2 3.38Å; D156-Y159 PolarHBondContact O-N 2.48Å; Y159-L167 HydrophobicContact CD1-CD1 4.14Å; Y159-L167 HydrophobicContact CD2-CD1 4.38Å; Y159-L167 HydrophobicContact CE1-CD1 3.83Å; Y159-L167 HydrophobicContact CE2-CD1 4.09Å; Y159-L167 HydrophobicContact CG-CD1 4.41Å; Y159-P183 HydrophobicContact CD2-CB 4.47Å; Y159-P183 HydrophobicContact CE2-CB 3.83Å; Y159-P183 HydrophobicContact CE2-CG 4.47Å; Y159-I632 VanDerWaalsContact CD1-O 3.25Å; Y159-I632 WeakPolarHBondContact CD1-O 3.32Å; Y159-I632 HydrophobicContact CE1-CG2 3.85Å; Y159-I632 WeakPolarHBondContact CE1-O 3.37Å
160N89.4Confident93.3Very high42 Ų4237.9 Ų37.923%0.22519%0.187CC..  trans-79.9165.9165.171.234.2000109.8A95 F162 G163 F164 G634A95-N160 VanDerWaalsContact CB-C 3.43Å; N160-F162 VanDerWaalsContact C-N 3.34Å; N160-F162 PolarHBondContact O-N 3.1Å; N160-F162 PolarHBondContact OD1-N 2.8Å; N160-G163 PolarHBondContact O-N 3.08Å; N160-G163 PolarHBondContact OD1-N 2.76Å; N160-F164 PolarHBondContact O-N 3.46Å; N160-G634 WeakPolarHBondContact ND2-CA 2.98Å
161Y90.4Very high93Very high2 Ų237 Ų371%0.00818%0.178CC..Hα-helixtrans-54.3-46.1-174.6-177.3-109.6000113.6A77 E78 A81 A91 A94 A98 F164 K165A77-Y161 HydrophobicContact CB-CE2 3.98Å; E78-Y161 WeakPolarHBondContact CG-OH 3.04Å; A81-Y161 HydrophobicContact CB-CD1 3.62Å; A81-Y161 HydrophobicContact CB-CE1 3.6Å; A81-Y161 HydrophobicContact CB-CG 4.14Å; A91-Y161 PolarHBondContact O-N 2.99Å; A94-Y161 HydrophobicContact CB-CD2 3.7Å; A94-Y161 HydrophobicContact CB-CE2 4.43Å; A94-Y161 HydrophobicContact CB-CG 3.92Å; A98-Y161 HydrophobicContact CB-CE2 4.44Å; Y161-F164 PolarHBondContact O-N 3.23Å; Y161-K165 HydrophobicContact CD1-CG 4.39Å; Y161-K165 HydrophobicContact CD2-CG 4.29Å; Y161-K165 HydrophobicContact CE1-CG 4.03Å; Y161-K165 HydrophobicContact CE2-CD 4.32Å; Y161-K165 HydrophobicContact CE2-CG 3.93Å; Y161-K165 WeakPolarHBondContact O-CB 3.23Å; Y161-K165 VanDerWaalsContact O-CG 3.29Å; Y161-K165 WeakPolarHBondContact O-CG 3.38Å; Y161-K165 PolarHBondContact O-N 2.88Å; Y161-K165 WeakPolarHBondContact OH-CE 3.39Å
162F87.6Confident93Very high11 Ų1136.6 Ų36.65%0.04818%0.176CC..Hα-helixtrans-71.7-39.2-176.6-62.4-76.2000112.8I84 N160 K165 T166 R649 V651 F656 I658I84-F162 HydrophobicContact CD1-CE2 3.72Å; I84-F162 HydrophobicContact CD1-CZ 4.3Å; N160-F162 VanDerWaalsContact C-N 3.34Å; N160-F162 PolarHBondContact O-N 3.1Å; N160-F162 PolarHBondContact OD1-N 2.8Å; F162-K165 PolarHBondContact O-N 3.29Å; F162-T166 WeakPolarHBondContact O-CB 3.36Å; F162-T166 PolarHBondContact O-N 2.82Å; F162-T166 PolarHBondContact O-OG1 3.15Å; F162-R649 HydrophobicContact CE1-CB 4.17Å; F162-V651 HydrophobicContact CD1-CG1 3.76Å; F162-V651 HydrophobicContact CE1-CG1 3.83Å; F162-F656 HydrophobicContact CE1-CB 4.26Å; F162-F656 HydrophobicContact CE1-CD2 4.32Å; F162-F656 HydrophobicContact CE1-CG 4.4Å; F162-F656 HydrophobicContact CZ-CB 3.79Å; F162-F656 HydrophobicContact CZ-CD2 4.49Å; F162-F656 HydrophobicContact CZ-CG 4.12Å; F162-I658 HydrophobicContact CD2-CD1 3.53Å; F162-I658 HydrophobicContact CE1-CD1 4.19Å; F162-I658 HydrophobicContact CE2-CD1 3.11Å; F162-I658 HydrophobicContact CE2-CG1 3.78Å; F162-I658 HydrophobicContact CG-CD1 4.23Å; F162-I658 HydrophobicContact CZ-CD1 3.49Å; F162-I658 VanDerWaalsContact CZ-CD1 3.49Å; F162-I658 HydrophobicContact CZ-CG1 4.04Å
163G91.2Very high92.9Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-61.7-45.7174.400000111.1N160 T166 L167 Q631N160-G163 PolarHBondContact O-N 3.08Å; N160-G163 PolarHBondContact OD1-N 2.76Å; G163-T166 WeakPolarHBondContact O-CB 3.35Å; G163-T166 PolarHBondContact O-N 3.34Å; G163-L167 WeakPolarHBondContact O-CG 3.24Å; G163-L167 PolarHBondContact O-N 2.95Å; G163-Q631 VanDerWaalsContact CA-O 3.24Å; G163-Q631 WeakPolarHBondContact CA-O 3.11Å
164F94.2Very high92.8Very high0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-61.5-46.6174.5176.8-101.7000112.5A98 V99 L102 N160 Y161 T166 L167 E168 P183A98-F164 HydrophobicContact CB-CD1 3.73Å; A98-F164 HydrophobicContact CB-CE1 3.54Å; V99-F164 HydrophobicContact CB-CE2 4.35Å; V99-F164 HydrophobicContact CG2-CD1 4.41Å; V99-F164 HydrophobicContact CG2-CD2 3.42Å; V99-F164 VanDerWaalsContact CG2-CD2 3.42Å; V99-F164 HydrophobicContact CG2-CE2 3.59Å; V99-F164 HydrophobicContact CG2-CG 3.86Å; V99-F164 HydrophobicContact CG2-CZ 4.17Å; L102-F164 HydrophobicContact CB-CZ 3.92Å; L102-F164 HydrophobicContact CD2-CE2 3.7Å; L102-F164 HydrophobicContact CD2-CZ 3.7Å; L102-F164 HydrophobicContact CG-CZ 4.41Å; N160-F164 PolarHBondContact O-N 3.46Å; Y161-F164 PolarHBondContact O-N 3.23Å; F164-T166 VanDerWaalsContact C-N 3.28Å; F164-T166 PolarHBondContact O-N 3.5Å; F164-L167 WeakPolarHBondContact O-CB 3.23Å; F164-L167 PolarHBondContact O-N 3.41Å; F164-E168 HydrophobicContact CE1-CB 4.4Å; F164-E168 WeakPolarHBondContact O-CB 3.43Å; F164-E168 PolarHBondContact O-N 3.23Å; F164-P183 HydrophobicContact CD2-CG 4.22Å; F164-P183 HydrophobicContact CE2-CG 4.16Å
165K91.5Very high92.8Very high37 Ų3732.8 Ų32.816%0.16116%0.158CC..Hα-helixtrans-64.6-32.8178.5-72.3-65176-1740112.9Y161 F162 E168 R169Y161-K165 HydrophobicContact CD1-CG 4.39Å; Y161-K165 HydrophobicContact CD2-CG 4.29Å; Y161-K165 HydrophobicContact CE1-CG 4.03Å; Y161-K165 HydrophobicContact CE2-CD 4.32Å; Y161-K165 HydrophobicContact CE2-CG 3.93Å; Y161-K165 WeakPolarHBondContact O-CB 3.23Å; Y161-K165 VanDerWaalsContact O-CG 3.29Å; Y161-K165 WeakPolarHBondContact O-CG 3.38Å; Y161-K165 PolarHBondContact O-N 2.88Å; Y161-K165 WeakPolarHBondContact OH-CE 3.39Å; F162-K165 PolarHBondContact O-N 3.29Å; K165-E168 VanDerWaalsContact CD-OE2 3.23Å; K165-E168 WeakPolarHBondContact CD-OE2 3.49Å; K165-E168 IonicContact NZ-OE2 3.25Å; K165-E168 PolarHBondContact NZ-OE2 3.21Å; K165-R169 WeakPolarHBondContact O-CB 3.49Å; K165-R169 PolarHBondContact O-N 3.32Å
166T90.3Very high92.6Very high29 Ų2935.8 Ų35.818%0.17818%0.177CC..Hα-helixtrans-63.4-46.7172.9-60.50000110.8F162 G163 F164 S170 Y171 I632F162-T166 WeakPolarHBondContact O-CB 3.36Å; F162-T166 PolarHBondContact O-N 2.82Å; F162-T166 PolarHBondContact O-OG1 3.15Å; G163-T166 WeakPolarHBondContact O-CB 3.35Å; G163-T166 PolarHBondContact O-N 3.34Å; F164-T166 VanDerWaalsContact C-N 3.28Å; F164-T166 PolarHBondContact O-N 3.5Å; T166-S170 PolarHBondContact O-N 3.31Å; T166-Y171 HydrophobicContact CG2-CD2 4.41Å; T166-Y171 HydrophobicContact CG2-CE2 3.9Å; T166-Y171 WeakPolarHBondContact O-CD2 3.47Å; T166-I632 HydrophobicContact CG2-CD1 4.31Å; T166-I632 HydrophobicContact CG2-CG1 3.9Å
167L93.6Very high92.3Very high1 Ų139 Ų391%0.00521%0.211CC..Iπ-helixtrans-59.8-53.5174.8-69.7166.6000111.6Y159 G163 F164 R169 S170 Y171 L172 P183 M186 I632Y159-L167 HydrophobicContact CD1-CD1 4.14Å; Y159-L167 HydrophobicContact CD2-CD1 4.38Å; Y159-L167 HydrophobicContact CE1-CD1 3.83Å; Y159-L167 HydrophobicContact CE2-CD1 4.09Å; Y159-L167 HydrophobicContact CG-CD1 4.41Å; G163-L167 WeakPolarHBondContact O-CG 3.24Å; G163-L167 PolarHBondContact O-N 2.95Å; F164-L167 WeakPolarHBondContact O-CB 3.23Å; F164-L167 PolarHBondContact O-N 3.41Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.16Å; L167-S170 PolarHBondContact O-N 3.05Å; L167-Y171 HydrophobicContact CD2-CD2 4.36Å; L167-Y171 HydrophobicContact CD2-CG 4.09Å; L167-Y171 PolarHBondContact O-N 3.34Å; L167-L172 HydrophobicContact CB-CG 4.38Å; L167-L172 WeakPolarHBondContact O-CG 3.21Å; L167-L172 PolarHBondContact O-N 2.75Å; L167-P183 HydrophobicContact CD1-CB 4.04Å; L167-P183 HydrophobicContact CD1-CG 4.23Å; L167-M186 HydrophobicContact CD2-CE 3.94Å; L167-M186 HydrophobicContact CD2-SD 3.94Å; L167-I632 HydrophobicContact CD1-CG2 4Å; L167-I632 HydrophobicContact CD2-CD1 3.93Å; L167-I632 HydrophobicContact CD2-CG1 4.18Å; L167-I632 HydrophobicContact CD2-CG2 3.94Å; L167-I632 HydrophobicContact CG-CD1 4.46Å; L167-I632 HydrophobicContact CG-CG1 4.19Å; L167-I632 HydrophobicContact CG-CG2 4.01Å
168E92.4Very high92.2Very high42 Ų4243 Ų4320%0.19623%0.228CC..Iπ-helixtrans-56.8-40.7-179.1-175.7180-121.500112.6F164 K165 V179F164-E168 HydrophobicContact CE1-CB 4.4Å; F164-E168 WeakPolarHBondContact O-CB 3.43Å; F164-E168 PolarHBondContact O-N 3.23Å; K165-E168 VanDerWaalsContact CD-OE2 3.23Å; K165-E168 WeakPolarHBondContact CD-OE2 3.49Å; K165-E168 IonicContact NZ-OE2 3.25Å; K165-E168 PolarHBondContact NZ-OE2 3.21Å; E168-V179 HydrophobicContact CG-CG2 4.12Å
169R87Confident92.3Very high163 Ų16340.1 Ų40.162%0.61521%0.211SC*.Iπ-helixtrans-68.4-50-179.2-177.5179.8176.3-176-1111.8K165 L167 K174K165-R169 WeakPolarHBondContact O-CB 3.49Å; K165-R169 PolarHBondContact O-N 3.32Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3.16Å; R169-K174 PolarHBondContact O-NZ 3.41Å
170S87.8Confident92.4Very high60 Ų6041.6 Ų41.642%0.4222%0.218SC..Iπ-helixtrans-119.3-30.1-158.9-59.90000114.9T166 L167 F222T166-S170 PolarHBondContact O-N 3.31Å; L167-S170 PolarHBondContact O-N 3.05Å; S170-F222 WeakPolarHBondContact O-CE1 3.24Å
171Y93.2Very high92.8Very high5 Ų539.7 Ų39.72%0.0221%0.207CC..Iπ-helixtrans-102.3-39.4-167.6-67.3-100.4000113.5T166 L167 L173 S218 L221 F222 S628 I632T166-Y171 HydrophobicContact CG2-CD2 4.41Å; T166-Y171 HydrophobicContact CG2-CE2 3.9Å; T166-Y171 WeakPolarHBondContact O-CD2 3.47Å; L167-Y171 HydrophobicContact CD2-CD2 4.36Å; L167-Y171 HydrophobicContact CD2-CG 4.09Å; L167-Y171 PolarHBondContact O-N 3.34Å; Y171-L173 PolarHBondContact O-N 2.74Å; Y171-S218 PolarHBondContact OH-OG 3.36Å; Y171-L221 HydrophobicContact CD1-CB 3.75Å; Y171-L221 HydrophobicContact CD1-CD1 4.05Å; Y171-L221 HydrophobicContact CE1-CB 4Å; Y171-L221 HydrophobicContact CE1-CD1 3.82Å; Y171-F222 AromaticContact CD1-CD1 3.66Å; Y171-F222 HydrophobicContact CD1-CD1 3.66Å; Y171-F222 AromaticContact CD1-CE1 3.24Å; Y171-F222 HydrophobicContact CD1-CE1 3.24Å; Y171-F222 AromaticContact CD1-CZ 3.95Å; Y171-F222 HydrophobicContact CD1-CZ 3.95Å; Y171-F222 AromaticContact CD2-CE1 3.86Å; Y171-F222 HydrophobicContact CD2-CE1 3.86Å; Y171-F222 HydrophobicContact CD2-CZ 4.39Å; Y171-F222 HydrophobicContact CE1-CD1 4.06Å; Y171-F222 AromaticContact CE1-CE1 3.42Å; Y171-F222 HydrophobicContact CE1-CE1 3.42Å; Y171-F222 VanDerWaalsContact CE1-CE1 3.42Å; Y171-F222 HydrophobicContact CE1-CE2 4.37Å; Y171-F222 AromaticContact CE1-CZ 3.6Å; Y171-F222 HydrophobicContact CE1-CZ 3.6Å; Y171-F222 AromaticContact CE2-CE1 3.99Å; Y171-F222 HydrophobicContact CE2-CE1 3.99Å; Y171-F222 HydrophobicContact CE2-CZ 4.06Å; Y171-F222 HydrophobicContact CG-CD1 4.1Å; Y171-F222 AromaticContact CG-CE1 3.47Å; Y171-F222 HydrophobicContact CG-CE1 3.47Å; Y171-F222 VanDerWaalsContact CG-CE1 3.47Å; Y171-F222 HydrophobicContact CG-CZ 4.33Å; Y171-F222 AromaticContact CZ-CE1 3.79Å; Y171-F222 AromaticContact CZ-CZ 3.65Å; Y171-S628 WeakPolarHBondContact OH-CB 3.37Å; Y171-I632 HydrophobicContact CD1-CD1 4.46Å; Y171-I632 HydrophobicContact CD2-CD1 4.14Å; Y171-I632 HydrophobicContact CE1-CD1 4.05Å; Y171-I632 HydrophobicContact CE2-CD1 3.71Å
172L96.7Very high93.2Very high5 Ų540.2 Ų40.23%0.02621%0.209CC..SBendtrans-72.1130.8-176.8-56.6-178.3000110.8L102 L167 K174 V179 E181 P183 M186L102-L172 HydrophobicContact CD2-CD1 3.9Å; L167-L172 HydrophobicContact CB-CG 4.38Å; L167-L172 WeakPolarHBondContact O-CG 3.21Å; L167-L172 PolarHBondContact O-N 2.75Å; L172-K174 WeakPolarHBondContact O-CG 3.37Å; L172-V179 HydrophobicContact CB-CG1 3.68Å; L172-V179 HydrophobicContact CD1-CG1 3.9Å; L172-V179 HydrophobicContact CG-CG1 4.44Å; L172-E181 HydrophobicContact CB-CB 4.26Å; L172-E181 WeakPolarHBondContact CD1-O 3.31Å; L172-E181 HydrophobicContact CD2-CG 4.42Å; L172-P183 HydrophobicContact CD1-CG 4.32Å; L172-P183 HydrophobicContact CD2-CG 4.49Å; L172-M186 HydrophobicContact CD2-CB 3.83Å; L172-M186 HydrophobicContact CD2-CG 4.33Å; L172-M186 HydrophobicContact CD2-SD 4.14Å
173L96.5Very high93.7Very high28 Ų2839.7 Ų39.715%0.14721%0.207CC..  trans-63.1143.2178-65.8176.1000111.9L117 L131 V132 Y171 H180 E181L117-L173 HydrophobicContact CD1-CB 4.5Å; L117-L173 HydrophobicContact CD1-CD1 3.93Å; L117-L173 HydrophobicContact CD2-CB 3.9Å; L117-L173 HydrophobicContact CD2-CD1 4.31Å; L131-L173 HydrophobicContact CB-CD1 4.42Å; V132-L173 HydrophobicContact CG1-CD1 4.07Å; Y171-L173 PolarHBondContact O-N 2.74Å; L173-H180 PolarHBondContact O-N 2.67Å; L173-E181 HydrophobicContact CB-CB 4.15Å; L173-E181 PolarHBondContact N-OE2 2.88Å; L173-E181 VanDerWaalsContact N-OE2 3.11Å; L173-E181 PolarHBondContact O-N 3.21Å
174K95.1Very high94Very high83 Ų8339.7 Ų39.736%0.36121%0.207SC..EExtended strand (participates in β ladder)trans-123.7136.2-174-52.3-172.8-174.7175.70111.4L131 R169 L172 K178 V179L131-K174 VanDerWaalsContact CD1-O 3.26Å; L131-K174 WeakPolarHBondContact CD1-O 3.39Å; R169-K174 PolarHBondContact O-NZ 3.41Å; L172-K174 WeakPolarHBondContact O-CG 3.37Å; K174-K178 CarbonylContact C-O 3.6Å; K174-K178 WeakPolarHBondContact CA-O 3.35Å; K174-K178 VanDerWaalsContact CB-O 3.31Å; K174-K178 WeakPolarHBondContact CB-O 3.37Å; K174-V179 HydrophobicContact CD-CG2 4.19Å; K174-V179 HydrophobicContact CG-CG2 4.08Å
175I95.9Very high94.2Very high28 Ų2839.7 Ų39.714%0.14421%0.207CC..EExtended strand (participates in β ladder)trans-106127.7168.7-67.6179.8000107.8D116 L117 Y120 L131 G177 K178 H180D116-I175 HydrophobicContact CB-CD1 4.1Å; L117-I175 HydrophobicContact CD2-CD1 4.21Å; L117-I175 HydrophobicContact CD2-CG1 4.15Å; Y120-I175 HydrophobicContact CD2-CG1 4.48Å; Y120-I175 HydrophobicContact CD2-CG2 3.8Å; Y120-I175 HydrophobicContact CE2-CG2 3.95Å; L131-I175 HydrophobicContact CD1-CG1 4.02Å; I175-G177 PolarHBondContact O-N 3.27Å; I175-G177 VanDerWaalsContact O-N 3.14Å; I175-K178 PolarHBondContact N-O 3.44Å; I175-K178 PolarHBondContact O-N 3.39Å; I175-H180 HydrophobicContact CB-CB 4.44Å; I175-H180 HydrophobicContact CD1-CB 4.26Å; I175-H180 HydrophobicContact CG1-CB 4.13Å
176N92.7Very high94.5Very high107 Ų10738 Ų3857%0.57220%0.2SC*.THydrogen-bonded Turntrans51.636.3-178.5-59.6-38.1000113.7Y120 P123 K178Y120-N176 WeakPolarHBondContact CE2-OD1 3.46Å; P123-N176 WeakPolarHBondContact CD-OD1 3.24Å; P123-N176 WeakPolarHBondContact CG-OD1 3.42Å; N176-K178 PolarHBondContact O-N 3.02Å
177G90Very high94.9Very high68 Ų6836.8 Ų36.870%0.70119%0.192SC*.THydrogen-bonded Turntrans80.7-7.3-17900000115.3I175I175-G177 PolarHBondContact O-N 3.27Å; I175-G177 VanDerWaalsContact O-N 3.14Å
178K93.5Very high95.2Very high110 Ų11036.8 Ų36.848%0.47819%0.192SC..EExtended strand (participates in β ladder)trans-98.1135.7177.3-170.9174.9-176.8174.40111E105 K174 I175 N176 H180E105-K178 WeakPolarHBondContact OE1-CE 3.49Å; E105-K178 IonicContact OE1-NZ 3.07Å; E105-K178 PolarHBondContact OE1-NZ 3.38Å; K174-K178 CarbonylContact C-O 3.6Å; K174-K178 WeakPolarHBondContact CA-O 3.35Å; K174-K178 VanDerWaalsContact CB-O 3.31Å; K174-K178 WeakPolarHBondContact CB-O 3.37Å; I175-K178 PolarHBondContact N-O 3.44Å; I175-K178 PolarHBondContact O-N 3.39Å; N176-K178 PolarHBondContact O-N 3.02Å; K178-H180 PolarHBondContact O-N 3.28Å
179V95.7Very high95.5Very high19 Ų1934.8 Ų34.812%0.11518%0.183CC..EExtended strand (participates in β ladder)trans-59.7128.2175.8179.40000109.9L102 E168 L172 K174 E181L102-V179 HydrophobicContact CD1-CB 4.07Å; L102-V179 HydrophobicContact CD1-CG1 3.66Å; E168-V179 HydrophobicContact CG-CG2 4.12Å; L172-V179 HydrophobicContact CB-CG1 3.68Å; L172-V179 HydrophobicContact CD1-CG1 3.9Å; L172-V179 HydrophobicContact CG-CG1 4.44Å; K174-V179 HydrophobicContact CD-CG2 4.19Å; K174-V179 HydrophobicContact CG-CG2 4.08Å; V179-E181 WeakPolarHBondContact CG1-O 3.45Å
180H96.8Very high96Very high34 Ų3427 Ų2716%0.15715%0.154CC..  trans-117-24179.8-154.568.6000112.3D116 L117 L173 I175 K178D116-H180 WeakPolarHBondContact CB-NE2 3.49Å; D116-H180 IonicContact OD2-CD2 3.41Å; D116-H180 IonicContact OD2-CE1 3.17Å; D116-H180 PolarHBondContact OD2-CE1 3.17Å; D116-H180 IonicContact OD2-NE2 2.74Å; D116-H180 PolarHBondContact OD2-NE2 2.89Å; L117-H180 HydrophobicContact CD2-CB 4.47Å; L173-H180 PolarHBondContact O-N 2.67Å; I175-H180 HydrophobicContact CB-CB 4.44Å; I175-H180 HydrophobicContact CD1-CB 4.26Å; I175-H180 HydrophobicContact CG1-CB 4.13Å; K178-H180 PolarHBondContact O-N 3.28Å
181E97Very high96.5Very high1 Ų124.2 Ų24.21%0.00513%0.134CC..  trans-91.1145.5178.2-168.4172.5-126.700111.4L172 L173 V179 H185 M186 R189L172-E181 HydrophobicContact CB-CB 4.26Å; L172-E181 WeakPolarHBondContact CD1-O 3.31Å; L172-E181 HydrophobicContact CD2-CG 4.42Å; L173-E181 HydrophobicContact CB-CB 4.15Å; L173-E181 PolarHBondContact N-OE2 2.88Å; L173-E181 VanDerWaalsContact N-OE2 3.11Å; L173-E181 PolarHBondContact O-N 3.21Å; V179-E181 WeakPolarHBondContact CG1-O 3.45Å; E181-H185 HydrophobicContact CG-CB 3.65Å; E181-M186 VanDerWaalsContact CD-CA 3.47Å; E181-M186 HydrophobicContact CG-CB 4.1Å; E181-M186 WeakPolarHBondContact OE1-CA 3.26Å; E181-R189 IonicContact OE1-CZ 3.26Å; E181-R189 IonicContact OE1-NE 2.76Å; E181-R189 PolarHBondContact OE1-NE 2.97Å; E181-R189 IonicContact OE1-NH2 3.56Å; E181-R189 IonicContact OE2-CZ 2.63Å; E181-R189 IonicContact OE2-NE 3.97Å; E181-R189 IonicContact OE2-NH2 3.69Å; E181-R189 PolarHBondContact OE2-NH2 3.09Å; E181-R189 VanDerWaalsContact OE2-NH2 3.16Å
182R97.9Very high96.8Very high13 Ų1324.1 Ų24.15%0.04913%0.134CC..  trans-99.4159.3169.8-62.6177.1-177.6-173.4-0.5109.4H103 T106 K107 Q184 H185 M186H103-R182 PolarHBondContact O-NH2 3.02Å; T106-R182 PolarHBondContact O-NH2 3.27Å; T106-R182 WeakPolarHBondContact OG1-CG 3.29Å; T106-R182 PolarHBondContact OG1-NE 3.32Å; K107-R182 PolarHBondContact O-NE 3.49Å; K107-R182 PolarHBondContact O-NH2 3.08Å; R182-Q184 VanDerWaalsContact C-N 3.32Å; R182-Q184 PolarHBondContact O-N 3.27Å; R182-H185 HydrophobicContact CB-CB 4.44Å; R182-H185 PolarHBondContact N-ND1 3.36Å; R182-H185 WeakPolarHBondContact O-CA 3.25Å; R182-H185 WeakPolarHBondContact O-CB 3.29Å; R182-H185 PolarHBondContact O-N 3.32Å; R182-M186 PolarHBondContact O-N 3.06Å
183P98Very high96.9Very high0 Ų024.4 Ų24.40%014%0.138CC..Hα-helixtrans-55.3-42.9177.8-20.728.7000113.7D156 Y159 F164 L167 L172 H185 M186 L187D156-P183 VanDerWaalsContact OD1-CB 3.23Å; D156-P183 WeakPolarHBondContact OD1-CB 3.34Å; Y159-P183 HydrophobicContact CD2-CB 4.47Å; Y159-P183 HydrophobicContact CE2-CB 3.83Å; Y159-P183 HydrophobicContact CE2-CG 4.47Å; F164-P183 HydrophobicContact CD2-CG 4.22Å; F164-P183 HydrophobicContact CE2-CG 4.16Å; L167-P183 HydrophobicContact CD1-CB 4.04Å; L167-P183 HydrophobicContact CD1-CG 4.23Å; L172-P183 HydrophobicContact CD1-CG 4.32Å; L172-P183 HydrophobicContact CD2-CG 4.49Å; P183-H185 VanDerWaalsContact C-N 3.34Å; P183-H185 PolarHBondContact O-N 3.04Å; P183-M186 WeakPolarHBondContact O-CB 3.19Å; P183-M186 PolarHBondContact O-N 3.46Å; P183-L187 WeakPolarHBondContact O-CG 3.39Å; P183-L187 PolarHBondContact O-N 3.11Å
184Q98.5Very high97Very high0 Ų023 Ų230%013%0.131CC..Hα-helixtrans-63.4-36.2173.8-63.3-38.5-61.200114.2I151 D152 Y153 D156 R182 M186 L187 M188 Y206I151-Q184 HydrophobicContact CG2-CB 3.68Å; I151-Q184 HydrophobicContact CG2-CG 4.3Å; D152-Q184 WeakPolarHBondContact O-CG 3.36Å; Y153-Q184 HydrophobicContact CD1-CB 4.36Å; Y153-Q184 HydrophobicContact CE1-CB 4.45Å; D156-Q184 WeakPolarHBondContact OD1-CG 2.98Å; D156-Q184 PolarHBondContact OD1-N 3.18Å; D156-Q184 VanDerWaalsContact OD1-N 3.1Å; D156-Q184 PolarHBondContact OD1-NE2 2.92Å; R182-Q184 VanDerWaalsContact C-N 3.32Å; R182-Q184 PolarHBondContact O-N 3.27Å; Q184-M186 VanDerWaalsContact C-N 3.32Å; Q184-L187 PolarHBondContact O-N 3.31Å; Q184-M188 PolarHBondContact O-N 2.8Å; Q184-Y206 HydrophobicContact CB-CE2 4.33Å; Q184-Y206 PolarHBondContact OE1-OH 3.2Å
185H98.6Very high97.1Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-62.5-42.9174.1-61.3159.2000111K107 F110 Y153 E181 R182 P183 M188 R189K107-H185 PolarHBondContact O-CE1 3.4Å; F110-H185 HydrophobicContact CD2-CB 3.84Å; F110-H185 AromaticContact CD2-CD2 3.79Å; F110-H185 AromaticContact CD2-CG 3.98Å; F110-H185 HydrophobicContact CE2-CB 4.22Å; F110-H185 WeakPolarHBondContact CE2-O 3.21Å; Y153-H185 AromaticContact CE1-CD2 3.7Å; Y153-H185 AromaticContact CE1-NE2 3.3Å; Y153-H185 VanDerWaalsContact CE1-NE2 3.3Å; Y153-H185 WeakPolarHBondContact CE1-NE2 3.47Å; Y153-H185 AromaticContact CZ-NE2 3.53Å; Y153-H185 PolarHBondContact OH-CD2 3.13Å; Y153-H185 PolarHBondContact OH-NE2 3.23Å; E181-H185 HydrophobicContact CG-CB 3.65Å; R182-H185 HydrophobicContact CB-CB 4.44Å; R182-H185 PolarHBondContact N-ND1 3.36Å; R182-H185 WeakPolarHBondContact O-CA 3.25Å; R182-H185 WeakPolarHBondContact O-CB 3.29Å; R182-H185 PolarHBondContact O-N 3.32Å; P183-H185 VanDerWaalsContact C-N 3.34Å; P183-H185 PolarHBondContact O-N 3.04Å; H185-M188 PolarHBondContact O-N 2.95Å; H185-R189 WeakPolarHBondContact O-CB 3.35Å; H185-R189 PolarHBondContact O-N 3.36Å
186M98.4Very high96.9Very high2 Ų221.4 Ų21.41%0.0113%0.128CC..Hα-helixtrans-59.1-48.2176.3-176-153.972.700110.9L167 L172 E181 R182 P183 Q184 M188 R189 V190 L221L167-M186 HydrophobicContact CD2-CE 3.94Å; L167-M186 HydrophobicContact CD2-SD 3.94Å; L172-M186 HydrophobicContact CD2-CB 3.83Å; L172-M186 HydrophobicContact CD2-CG 4.33Å; L172-M186 HydrophobicContact CD2-SD 4.14Å; E181-M186 VanDerWaalsContact CD-CA 3.47Å; E181-M186 HydrophobicContact CG-CB 4.1Å; E181-M186 WeakPolarHBondContact OE1-CA 3.26Å; R182-M186 PolarHBondContact O-N 3.06Å; P183-M186 WeakPolarHBondContact O-CB 3.19Å; P183-M186 PolarHBondContact O-N 3.46Å; Q184-M186 VanDerWaalsContact C-N 3.32Å; M186-M188 PolarHBondContact O-N 3.45Å; M186-R189 VanDerWaalsContact CG-NH2 3.32Å; M186-R189 PolarHBondContact O-N 3.22Å; M186-V190 WeakPolarHBondContact O-CB 3.36Å; M186-V190 WeakPolarHBondContact O-CG2 3.35Å; M186-V190 PolarHBondContact O-N 2.81Å; M186-L221 HydrophobicContact CE-CD2 4.29Å
187L98.7Very high96.9Very high4 Ų421 Ų212%0.02113%0.134CC..Hα-helixtrans-62.3-43.5179.2-66178.9000111.9P183 Q184 V190 S191 Y206 M209P183-L187 WeakPolarHBondContact O-CG 3.39Å; P183-L187 PolarHBondContact O-N 3.11Å; Q184-L187 PolarHBondContact O-N 3.31Å; L187-V190 PolarHBondContact O-N 3.18Å; L187-S191 PolarHBondContact O-N 2.87Å; L187-S191 PolarHBondContact O-OG 3.48Å; L187-S191 VanDerWaalsContact O-OG 3.06Å; L187-Y206 HydrophobicContact CB-CD2 3.94Å; L187-Y206 HydrophobicContact CB-CE2 4.12Å; L187-M209 HydrophobicContact CB-CE 4.47Å; L187-M209 HydrophobicContact CD2-CB 4.08Å; L187-M209 HydrophobicContact CD2-CE 4.31Å; L187-M209 HydrophobicContact CD2-SD 4.38Å
188M98.7Very high97.2Very high0 Ų020.7 Ų20.70%012%0.117CC..Hα-helixtrans-66-43.4176.8-174.359.87800111.9F110 L147 A150 I151 Q184 H185 M186 V190 S191 I192 Y206F110-M188 HydrophobicContact CD1-CG 4.1Å; F110-M188 HydrophobicContact CE1-CB 4.34Å; F110-M188 HydrophobicContact CE1-CG 3.64Å; F110-M188 HydrophobicContact CE2-CB 4.31Å; F110-M188 HydrophobicContact CE2-CG 4.47Å; F110-M188 HydrophobicContact CZ-CB 4.12Å; F110-M188 HydrophobicContact CZ-CG 3.84Å; L147-M188 HydrophobicContact CD2-CE 4.49Å; L147-M188 HydrophobicContact CD2-SD 3.93Å; A150-M188 HydrophobicContact CB-CE 4.04Å; I151-M188 HydrophobicContact CD1-CB 3.98Å; I151-M188 HydrophobicContact CD1-CE 4.41Å; I151-M188 HydrophobicContact CD1-CG 4.05Å; I151-M188 HydrophobicContact CG1-CB 4.22Å; I151-M188 HydrophobicContact CG1-CE 3.72Å; I151-M188 HydrophobicContact CG1-CG 4.32Å; Q184-M188 PolarHBondContact O-N 2.8Å; H185-M188 PolarHBondContact O-N 2.95Å; M186-M188 PolarHBondContact O-N 3.45Å; M188-V190 VanDerWaalsContact C-N 3.28Å; M188-V190 PolarHBondContact O-N 3.09Å; M188-S191 PolarHBondContact O-N 3.12Å; M188-I192 HydrophobicContact CG-CD1 3.87Å; M188-I192 HydrophobicContact CG-CG1 4.44Å; M188-I192 VanDerWaalsContact O-CG1 3.3Å; M188-I192 WeakPolarHBondContact O-CG1 3.34Å; M188-I192 PolarHBondContact O-N 3.39Å; M188-I192 HydrophobicContact SD-CD1 4.18Å; M188-I192 HydrophobicContact SD-CG1 4.26Å; M188-Y206 HydrophobicContact CB-CD2 3.94Å; M188-Y206 HydrophobicContact CB-CE2 4.34Å; M188-Y206 HydrophobicContact CE-CD1 3.51Å; M188-Y206 HydrophobicContact CE-CD2 3.85Å; M188-Y206 HydrophobicContact CE-CE1 4.07Å; M188-Y206 HydrophobicContact CE-CE2 4.37Å; M188-Y206 HydrophobicContact CE-CG 3.39Å; M188-Y206 HydrophobicContact SD-CD2 4.39Å; M188-Y206 HydrophobicContact SD-CG 4.11Å
189R98.5Very high97.3Very high1 Ų116.5 Ų16.50%0.00410%0.099CC..Hα-helixtrans-55.4-45.1173.3172.8-177.955.579.8-5.6111F110 L136 E181 H185 M186 G193 L221 A224F110-R189 HydrophobicContact CE2-CB 4.4Å; F110-R189 HydrophobicContact CZ-CB 4.47Å; L136-R189 HydrophobicContact CD1-CG 3.8Å; E181-R189 IonicContact OE1-CZ 3.26Å; E181-R189 IonicContact OE1-NE 2.76Å; E181-R189 PolarHBondContact OE1-NE 2.97Å; E181-R189 IonicContact OE1-NH2 3.56Å; E181-R189 IonicContact OE2-CZ 2.63Å; E181-R189 IonicContact OE2-NE 3.97Å; E181-R189 IonicContact OE2-NH2 3.69Å; E181-R189 PolarHBondContact OE2-NH2 3.09Å; E181-R189 VanDerWaalsContact OE2-NH2 3.16Å; H185-R189 WeakPolarHBondContact O-CB 3.35Å; H185-R189 PolarHBondContact O-N 3.36Å; M186-R189 VanDerWaalsContact CG-NH2 3.32Å; M186-R189 PolarHBondContact O-N 3.22Å; R189-G193 PolarHBondContact O-N 3.1Å; R189-L221 PolarHBondContact NH1-O 3.34Å; R189-L221 PolarHBondContact NH2-O 2.94Å; R189-L221 VanDerWaalsContact NH2-O 3.12Å; R189-A224 PolarHBondContact NH1-O 2.83Å
190V98.6Very high97.5Very high0 Ų020.1 Ų20.10%012%0.118CC..Hα-helixtrans-63.7-48.1179.41700000110.7M186 L187 M188 I192 G193 I194 M209 T220 L221 A224M186-V190 WeakPolarHBondContact O-CB 3.36Å; M186-V190 WeakPolarHBondContact O-CG2 3.35Å; M186-V190 PolarHBondContact O-N 2.81Å; L187-V190 PolarHBondContact O-N 3.18Å; M188-V190 VanDerWaalsContact C-N 3.28Å; M188-V190 PolarHBondContact O-N 3.09Å; V190-I192 VanDerWaalsContact C-N 3.35Å; V190-I192 PolarHBondContact O-N 3.4Å; V190-G193 WeakPolarHBondContact O-CA 3.32Å; V190-G193 PolarHBondContact O-N 2.91Å; V190-G193 VanDerWaalsContact O-N 3.11Å; V190-I194 HydrophobicContact CG1-CD1 3.95Å; V190-I194 WeakPolarHBondContact O-CG1 3.21Å; V190-I194 PolarHBondContact O-N 3.14Å; V190-M209 HydrophobicContact CB-CE 4.45Å; V190-M209 HydrophobicContact CG1-CE 4.18Å; V190-T220 HydrophobicContact CG1-CG2 4.23Å; V190-L221 HydrophobicContact CG1-CD2 4.33Å; V190-L221 HydrophobicContact CG2-CD2 4.24Å; V190-A224 HydrophobicContact CB-CB 4.21Å; V190-A224 HydrophobicContact CG1-CB 4.06Å; V190-A224 HydrophobicContact CG2-CB 4.17Å
191S98.7Very high97.5Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-58.2-45.4178.2-59.70000112.6L187 M188 G193 I194 H195 A202 T205 Y206 M209L187-S191 PolarHBondContact O-N 2.87Å; L187-S191 PolarHBondContact O-OG 3.48Å; L187-S191 VanDerWaalsContact O-OG 3.06Å; M188-S191 PolarHBondContact O-N 3.12Å; S191-G193 VanDerWaalsContact C-N 3.34Å; S191-I194 PolarHBondContact O-N 2.89Å; S191-H195 PolarHBondContact O-CD2 2.56Å; S191-H195 PolarHBondContact O-N 3.04Å; S191-A202 WeakPolarHBondContact CB-O 3.31Å; S191-A202 PolarHBondContact OG-O 3.05Å; S191-T205 WeakPolarHBondContact OG-CG2 2.93Å; S191-Y206 VanDerWaalsContact OG-CA 3.27Å; S191-Y206 WeakPolarHBondContact OG-CA 3.47Å; S191-Y206 PolarHBondContact OG-N 3.11Å; S191-M209 WeakPolarHBondContact OG-CE 3.23Å
192I98.5Very high97.6Very high3 Ų319.6 Ų19.62%0.01512%0.118CC..Hα-helixtrans-65.9-39.7175.7-64.1169.2000110.5F110 L136 F139 V140 L147 M188 V190 I194 H195 T196 A202F110-I192 HydrophobicContact CE1-CD1 3.77Å; F110-I192 HydrophobicContact CZ-CD1 4.07Å; L136-I192 HydrophobicContact CD1-CB 4.3Å; L136-I192 HydrophobicContact CD1-CG2 4.04Å; L136-I192 HydrophobicContact CG-CG2 4.01Å; F139-I192 HydrophobicContact CD1-CD1 4.37Å; F139-I192 HydrophobicContact CD1-CG1 4.37Å; F139-I192 HydrophobicContact CD1-CG2 3.5Å; F139-I192 HydrophobicContact CE1-CD1 4.35Å; F139-I192 HydrophobicContact CE1-CG1 4.09Å; F139-I192 HydrophobicContact CE1-CG2 3.88Å; F139-I192 HydrophobicContact CG-CG2 4.36Å; V140-I192 HydrophobicContact CG2-CD1 3.72Å; L147-I192 HydrophobicContact CD1-CD1 3.77Å; L147-I192 HydrophobicContact CD2-CD1 3.99Å; L147-I192 HydrophobicContact CD2-CG1 4.46Å; L147-I192 HydrophobicContact CG-CD1 4.5Å; M188-I192 HydrophobicContact CG-CD1 3.87Å; M188-I192 HydrophobicContact CG-CG1 4.44Å; M188-I192 VanDerWaalsContact O-CG1 3.3Å; M188-I192 WeakPolarHBondContact O-CG1 3.34Å; M188-I192 PolarHBondContact O-N 3.39Å; M188-I192 HydrophobicContact SD-CD1 4.18Å; M188-I192 HydrophobicContact SD-CG1 4.26Å; V190-I192 VanDerWaalsContact C-N 3.35Å; V190-I192 PolarHBondContact O-N 3.4Å; I192-I194 PolarHBondContact O-N 3.07Å; I192-H195 PolarHBondContact O-N 2.79Å; I192-T196 VanDerWaalsContact O-CA 3.24Å; I192-T196 WeakPolarHBondContact O-CA 3.45Å; I192-T196 PolarHBondContact O-N 2.75Å; I192-A202 HydrophobicContact CG1-CB 4.31Å
193G98.1Very high97.6Very high11 Ų1120.1 Ų20.111%0.11312%0.122CC..Hα-helixtrans-61.9-27.9177.200000113.7R189 V190 S191R189-G193 PolarHBondContact O-N 3.1Å; V190-G193 WeakPolarHBondContact O-CA 3.32Å; V190-G193 PolarHBondContact O-N 2.91Å; V190-G193 VanDerWaalsContact O-N 3.11Å; S191-G193 VanDerWaalsContact C-N 3.34Å
194I98.5Very high97.7Very high0 Ų023.3 Ų23.30%014%0.137CC..Hα-helixtrans-84.6-50.7176.3-66.2168.5000111.2V190 S191 I192 H216 T220 N493 K496 V497V190-I194 HydrophobicContact CG1-CD1 3.95Å; V190-I194 WeakPolarHBondContact O-CG1 3.21Å; V190-I194 PolarHBondContact O-N 3.14Å; S191-I194 PolarHBondContact O-N 2.89Å; I192-I194 PolarHBondContact O-N 3.07Å; I194-H216 WeakPolarHBondContact CD1-NE2 3.41Å; I194-T220 HydrophobicContact CD1-CG2 3.93Å; I194-T220 HydrophobicContact CG1-CG2 4.3Å; I194-N493 HydrophobicContact CG2-CB 4.47Å; I194-K496 HydrophobicContact CG2-CB 3.83Å; I194-V497 HydrophobicContact CD1-CG2 4.19Å; I194-V497 HydrophobicContact CG1-CG2 4.01Å; I194-V497 HydrophobicContact CG2-CG2 4.27Å
195H97.8Very high97.7Very high7 Ų723.3 Ų23.33%0.03214%0.137CC..Hα-helixtrans-89.9-13.4-170.5-69.7-67.1000114.1S191 I192 S197 D198 S201 A202 T205 N493S191-H195 PolarHBondContact O-CD2 2.56Å; S191-H195 PolarHBondContact O-N 3.04Å; I192-H195 PolarHBondContact O-N 2.79Å; H195-S197 PolarHBondContact O-N 2.81Å; H195-D198 HydrophobicContact CB-CB 4.38Å; H195-D198 PolarHBondContact O-N 2.81Å; H195-D198 VanDerWaalsContact O-N 3.12Å; H195-S201 PolarHBondContact CD2-O 2.74Å; H195-S201 WeakPolarHBondContact ND1-CB 3.23Å; H195-S201 PolarHBondContact NE2-O 2.96Å; H195-A202 HydrophobicContact CB-CB 4.1Å; H195-T205 PolarHBondContact NE2-OG1 2.99Å; H195-N493 PolarHBondContact CE1-OD1 2.8Å; H195-N493 PolarHBondContact NE2-OD1 3.25Å
196T92Very high97.7Very high69 Ų6923.3 Ų23.342%0.42314%0.137SC..THydrogen-bonded Turntrans54.5-101.8176.7620000112.5F139 I192 V500F139-T196 WeakPolarHBondContact CD2-O 3.49Å; F139-T196 VanDerWaalsContact CE2-O 3.23Å; F139-T196 WeakPolarHBondContact CE2-O 3.39Å; F139-T196 VanDerWaalsContact CZ-O 3.26Å; F139-T196 WeakPolarHBondContact CZ-O 3.4Å; I192-T196 VanDerWaalsContact O-CA 3.24Å; I192-T196 WeakPolarHBondContact O-CA 3.45Å; I192-T196 PolarHBondContact O-N 2.75Å; T196-V500 HydrophobicContact CG2-CG1 3.94Å
197S91.8Very high97.7Very high100 Ų10025.5 Ų25.570%0.69915%0.148SC*.THydrogen-bonded Turntrans-82.3-11.5-177.856.80000114.9H195 I199H195-S197 PolarHBondContact O-N 2.81Å; S197-I199 PolarHBondContact O-N 2.82Å
198D96.3Very high97.7Very high61 Ų6125.8 Ų25.833%0.32615%0.15SC..  trans-89.993.5179.3-176-10000111H195 D200 S201 A202H195-D198 HydrophobicContact CB-CB 4.38Å; H195-D198 PolarHBondContact O-N 2.81Å; H195-D198 VanDerWaalsContact O-N 3.12Å; D198-D200 VanDerWaalsContact C-N 3.33Å; D198-D200 PolarHBondContact O-N 3.02Å; D198-D200 PolarHBondContact OD1-N 3.09Å; D198-D200 VanDerWaalsContact OD1-N 3.14Å; D198-S201 VanDerWaalsContact CG-CB 3.47Å; D198-S201 VanDerWaalsContact CG-OG 3.23Å; D198-S201 PolarHBondContact OD1-N 2.77Å; D198-S201 PolarHBondContact OD1-OG 3.18Å; D198-S201 VanDerWaalsContact OD2-CB 3.25Å; D198-S201 WeakPolarHBondContact OD2-CB 3.29Å; D198-S201 PolarHBondContact OD2-OG 3.02Å; D198-A202 WeakPolarHBondContact O-CB 3.36Å; D198-A202 PolarHBondContact O-N 3.33Å; D198-A202 VanDerWaalsContact O-N 3.07Å
199I97.2Very high97.7Very high21 Ų2125.9 Ų25.911%0.10815%0.15CC..Hα-helixtrans-66.7-32-179.2-174.8154.7000113.1F139 N143 R146 L147 S197 A202 I203F139-I199 HydrophobicContact CZ-CB 3.81Å; F139-I199 HydrophobicContact CZ-CG1 4.4Å; N143-I199 HydrophobicContact CB-CD1 3.59Å; R146-I199 HydrophobicContact CB-CD1 4.25Å; R146-I199 HydrophobicContact CG-CD1 4.13Å; L147-I199 HydrophobicContact CD2-CD1 4.07Å; L147-I199 HydrophobicContact CD2-CG1 4.28Å; L147-I199 HydrophobicContact CG-CD1 4.22Å; S197-I199 PolarHBondContact O-N 2.82Å; I199-A202 PolarHBondContact O-N 3.22Å; I199-I203 HydrophobicContact CD1-CD1 4.45Å; I199-I203 HydrophobicContact CG1-CD1 3.79Å; I199-I203 HydrophobicContact CG1-CG1 4.34Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.45Å; I199-I203 PolarHBondContact O-N 2.92Å
200D98.3Very high97.7Very high95 Ų9525.9 Ų25.951%0.50815%0.151SC..Hα-helixtrans-71.6-47.8-176.4-66.7-22.9000109.7R146 D198 A202 I203 E204R146-D200 IonicContact CZ-OD1 3.25Å; R146-D200 IonicContact NH1-OD1 2.73Å; R146-D200 PolarHBondContact NH1-OD1 3.4Å; R146-D200 IonicContact NH2-OD1 2.84Å; R146-D200 PolarHBondContact NH2-OD1 2.68Å; D198-D200 VanDerWaalsContact C-N 3.33Å; D198-D200 PolarHBondContact O-N 3.02Å; D198-D200 PolarHBondContact OD1-N 3.09Å; D198-D200 VanDerWaalsContact OD1-N 3.14Å; D200-A202 VanDerWaalsContact C-N 3.31Å; D200-A202 PolarHBondContact O-N 3.03Å; D200-I203 PolarHBondContact O-N 3.49Å; D200-E204 PolarHBondContact O-N 2.84Å
201S98.1Very high97.6Very high25 Ų2529 Ų2918%0.17517%0.165CC..Hα-helixtrans-64.4-34.6174.4-62.50000112.4H195 D198 T205H195-S201 PolarHBondContact CD2-O 2.74Å; H195-S201 WeakPolarHBondContact ND1-CB 3.23Å; H195-S201 PolarHBondContact NE2-O 2.96Å; D198-S201 VanDerWaalsContact CG-CB 3.47Å; D198-S201 VanDerWaalsContact CG-OG 3.23Å; D198-S201 PolarHBondContact OD1-N 2.77Å; D198-S201 PolarHBondContact OD1-OG 3.18Å; D198-S201 VanDerWaalsContact OD2-CB 3.25Å; D198-S201 WeakPolarHBondContact OD2-CB 3.29Å; D198-S201 PolarHBondContact OD2-OG 3.02Å; S201-T205 VanDerWaalsContact O-CB 3.28Å; S201-T205 WeakPolarHBondContact O-CB 3.24Å; S201-T205 PolarHBondContact O-N 3.29Å; S201-T205 PolarHBondContact O-OG1 3.32Å
202A98.4Very high97.6Very high0 Ų030.2 Ų30.20%017%0.17CC..Hα-helixtrans-62.6-44.6173.500000112S191 I192 H195 D198 I199 D200 T205 Y206S191-A202 WeakPolarHBondContact CB-O 3.31Å; S191-A202 PolarHBondContact OG-O 3.05Å; I192-A202 HydrophobicContact CG1-CB 4.31Å; H195-A202 HydrophobicContact CB-CB 4.1Å; D198-A202 WeakPolarHBondContact O-CB 3.36Å; D198-A202 PolarHBondContact O-N 3.33Å; D198-A202 VanDerWaalsContact O-N 3.07Å; I199-A202 PolarHBondContact O-N 3.22Å; D200-A202 VanDerWaalsContact C-N 3.31Å; D200-A202 PolarHBondContact O-N 3.03Å; A202-T205 PolarHBondContact O-N 2.9Å; A202-Y206 WeakPolarHBondContact O-CB 3.44Å; A202-Y206 PolarHBondContact O-N 3.37Å
203I98.6Very high97.6Very high23 Ų2331.8 Ų31.812%0.11818%0.176CC..Hα-helixtrans-69.4-41.5178.6-69.7169.5000111.1R146 A150 I199 D200 T205 Y206 N207R146-I203 HydrophobicContact CG-CD1 4.04Å; A150-I203 HydrophobicContact CB-CD1 4.23Å; A150-I203 HydrophobicContact CB-CG1 4.19Å; A150-I203 HydrophobicContact CB-CG2 4.34Å; I199-I203 HydrophobicContact CD1-CD1 4.45Å; I199-I203 HydrophobicContact CG1-CD1 3.79Å; I199-I203 HydrophobicContact CG1-CG1 4.34Å; I199-I203 VanDerWaalsContact O-CG1 3.3Å; I199-I203 WeakPolarHBondContact O-CG1 3.45Å; I199-I203 PolarHBondContact O-N 2.92Å; D200-I203 PolarHBondContact O-N 3.49Å; I203-T205 VanDerWaalsContact C-N 3.33Å; I203-T205 PolarHBondContact O-N 3.46Å; I203-Y206 PolarHBondContact O-N 2.85Å; I203-N207 WeakPolarHBondContact O-CB 3.43Å; I203-N207 PolarHBondContact O-N 2.91Å; I203-N207 PolarHBondContact O-ND2 3.25Å
204E98.7Very high97.6Very high68 Ų6831.3 Ų31.332%0.31817%0.171SC..Hα-helixtrans-55.4-49.9173.3-178.4-174-132.800110.7D200 Y206 N207 L208 V489 R492D200-E204 PolarHBondContact O-N 2.84Å; E204-Y206 PolarHBondContact O-N 2.76Å; E204-N207 PolarHBondContact O-N 3.35Å; E204-L208 HydrophobicContact CG-CD1 4.32Å; E204-L208 WeakPolarHBondContact O-CG 3.47Å; E204-L208 PolarHBondContact O-N 2.89Å; E204-V489 HydrophobicContact CG-CG1 4.48Å; E204-V489 HydrophobicContact CG-CG2 4.47Å; E204-R492 IonicContact OE1-NH2 2.83Å; E204-R492 PolarHBondContact OE1-NH2 3.33Å; E204-R492 IonicContact OE2-CZ 3.14Å; E204-R492 IonicContact OE2-NH2 3.52Å; E204-R492 PolarHBondContact OE2-NH2 3.29Å
205T98.7Very high97.6Very high0 Ų031.5 Ų31.50%017%0.172CC..Hα-helixtrans-64.3-42.1179.7-64.80000112.1S191 H195 S201 A202 I203 L208 M209 F214 N493S191-T205 WeakPolarHBondContact OG-CG2 2.93Å; H195-T205 PolarHBondContact NE2-OG1 2.99Å; S201-T205 VanDerWaalsContact O-CB 3.28Å; S201-T205 WeakPolarHBondContact O-CB 3.24Å; S201-T205 PolarHBondContact O-N 3.29Å; S201-T205 PolarHBondContact O-OG1 3.32Å; A202-T205 PolarHBondContact O-N 2.9Å; I203-T205 VanDerWaalsContact C-N 3.33Å; I203-T205 PolarHBondContact O-N 3.46Å; T205-L208 PolarHBondContact O-N 3.03Å; T205-M209 HydrophobicContact CG2-CE 3.76Å; T205-M209 HydrophobicContact CG2-SD 4.37Å; T205-M209 WeakPolarHBondContact O-CB 3.25Å; T205-M209 WeakPolarHBondContact O-CG 3.45Å; T205-M209 PolarHBondContact O-N 3.12Å; T205-F214 HydrophobicContact CG2-CZ 4.3Å; T205-N493 WeakPolarHBondContact CG2-ND2 3.3Å; T205-N493 PolarHBondContact OG1-ND2 3.48Å; T205-N493 PolarHBondContact OG1-OD1 3.16Å
206Y98.7Very high97.7Very high0 Ų031.2 Ų31.20%017%0.171CC..Hα-helixtrans-59.7-47.2175164.4-99.9000111.4A150 I151 D152 Q184 L187 M188 S191 A202 I203 E204 L208 M209 S210A150-Y206 VanDerWaalsContact O-CE1 3.26Å; A150-Y206 WeakPolarHBondContact O-CE1 3.47Å; I151-Y206 WeakPolarHBondContact CA-OH 3.46Å; I151-Y206 HydrophobicContact CG1-CE2 4.39Å; D152-Y206 PolarHBondContact N-OH 2.82Å; Q184-Y206 HydrophobicContact CB-CE2 4.33Å; Q184-Y206 PolarHBondContact OE1-OH 3.2Å; L187-Y206 HydrophobicContact CB-CD2 3.94Å; L187-Y206 HydrophobicContact CB-CE2 4.12Å; M188-Y206 HydrophobicContact CB-CD2 3.94Å; M188-Y206 HydrophobicContact CB-CE2 4.34Å; M188-Y206 HydrophobicContact CE-CD1 3.51Å; M188-Y206 HydrophobicContact CE-CD2 3.85Å; M188-Y206 HydrophobicContact CE-CE1 4.07Å; M188-Y206 HydrophobicContact CE-CE2 4.37Å; M188-Y206 HydrophobicContact CE-CG 3.39Å; M188-Y206 HydrophobicContact SD-CD2 4.39Å; M188-Y206 HydrophobicContact SD-CG 4.11Å; S191-Y206 VanDerWaalsContact OG-CA 3.27Å; S191-Y206 WeakPolarHBondContact OG-CA 3.47Å; S191-Y206 PolarHBondContact OG-N 3.11Å; A202-Y206 WeakPolarHBondContact O-CB 3.44Å; A202-Y206 PolarHBondContact O-N 3.37Å; I203-Y206 PolarHBondContact O-N 2.85Å; E204-Y206 PolarHBondContact O-N 2.76Å; Y206-L208 PolarHBondContact O-N 3.11Å; Y206-M209 PolarHBondContact O-N 2.87Å; Y206-S210 VanDerWaalsContact O-CB 3.24Å; Y206-S210 WeakPolarHBondContact O-CB 3.2Å; Y206-S210 PolarHBondContact O-N 3.34Å; Y206-S210 PolarHBondContact O-OG 2.76Å
207N98.7Very high97.8Very high48 Ų4828.6 Ų28.626%0.25716%0.157SC..Hα-helixtrans-60.6-48.8-179.5-77.9-30.9000111.1R155 I203 E204 M209 S210 E211R155-N207 PolarHBondContact NH1-OD1 2.72Å; I203-N207 WeakPolarHBondContact O-CB 3.43Å; I203-N207 PolarHBondContact O-N 2.91Å; I203-N207 PolarHBondContact O-ND2 3.25Å; E204-N207 PolarHBondContact O-N 3.35Å; N207-M209 PolarHBondContact O-N 2.95Å; N207-S210 WeakPolarHBondContact CA-OG 3.37Å; N207-S210 PolarHBondContact O-N 3.01Å; N207-S210 PolarHBondContact O-OG 3.26Å; N207-S210 VanDerWaalsContact O-OG 3.05Å; N207-E211 VanDerWaalsContact O-CB 3.31Å; N207-E211 WeakPolarHBondContact O-CB 3.44Å; N207-E211 VanDerWaalsContact O-CG 3.27Å; N207-E211 WeakPolarHBondContact O-CG 3.3Å; N207-E211 PolarHBondContact O-N 3.37Å
208L98.7Very high97.9Very high9 Ų924.4 Ų24.45%0.04713%0.127CC..Hα-helixtrans-66.1-38.7-178-68.7175.2000113.3E204 T205 Y206 K212 W213 F214 V486 V489E204-L208 HydrophobicContact CG-CD1 4.32Å; E204-L208 WeakPolarHBondContact O-CG 3.47Å; E204-L208 PolarHBondContact O-N 2.89Å; T205-L208 PolarHBondContact O-N 3.03Å; Y206-L208 PolarHBondContact O-N 3.11Å; L208-K212 PolarHBondContact O-N 3.31Å; L208-W213 HydrophobicContact CD2-CB 4.45Å; L208-W213 HydrophobicContact CD2-CG 4.08Å; L208-W213 PolarHBondContact O-N 3.49Å; L208-F214 HydrophobicContact CB-CD1 4.05Å; L208-F214 HydrophobicContact CB-CE1 3.55Å; L208-F214 HydrophobicContact CD1-CE1 4.19Å; L208-V486 HydrophobicContact CD2-CG2 4.28Å; L208-V489 HydrophobicContact CD1-CB 3.95Å; L208-V489 HydrophobicContact CD1-CG1 3.85Å; L208-V489 HydrophobicContact CD1-CG2 3.72Å
209M98.6Very high97.7Very high2 Ų222.1 Ų22.11%0.0112%0.115CC..Hα-helixtrans-70.4-41.2175.3-70.9-168.8-60.100112.5L187 V190 S191 T205 Y206 N207 E211 K212 F214L187-M209 HydrophobicContact CB-CE 4.47Å; L187-M209 HydrophobicContact CD2-CB 4.08Å; L187-M209 HydrophobicContact CD2-CE 4.31Å; L187-M209 HydrophobicContact CD2-SD 4.38Å; V190-M209 HydrophobicContact CB-CE 4.45Å; V190-M209 HydrophobicContact CG1-CE 4.18Å; S191-M209 WeakPolarHBondContact OG-CE 3.23Å; T205-M209 HydrophobicContact CG2-CE 3.76Å; T205-M209 HydrophobicContact CG2-SD 4.37Å; T205-M209 WeakPolarHBondContact O-CB 3.25Å; T205-M209 WeakPolarHBondContact O-CG 3.45Å; T205-M209 PolarHBondContact O-N 3.12Å; Y206-M209 PolarHBondContact O-N 2.87Å; N207-M209 PolarHBondContact O-N 2.95Å; M209-E211 VanDerWaalsContact C-N 3.3Å; M209-E211 PolarHBondContact O-N 3.48Å; M209-K212 WeakPolarHBondContact O-CA 3.47Å; M209-K212 PolarHBondContact O-N 3.1Å; M209-F214 HydrophobicContact CG-CD2 4.3Å; M209-F214 HydrophobicContact CG-CE1 4.24Å; M209-F214 HydrophobicContact CG-CE2 3.76Å; M209-F214 HydrophobicContact CG-CZ 3.73Å; M209-F214 HydrophobicContact SD-CE2 4.29Å
210S98.3Very high97.6Very high2 Ų221.1 Ų21.11%0.01411%0.111CC..Hα-helixtrans-70.5-27.4-179.458.10000112.9R155 Y206 N207R155-S210 PolarHBondContact NH1-OG 2.87Å; Y206-S210 VanDerWaalsContact O-CB 3.24Å; Y206-S210 WeakPolarHBondContact O-CB 3.2Å; Y206-S210 PolarHBondContact O-N 3.34Å; Y206-S210 PolarHBondContact O-OG 2.76Å; N207-S210 WeakPolarHBondContact CA-OG 3.37Å; N207-S210 PolarHBondContact O-N 3.01Å; N207-S210 PolarHBondContact O-OG 3.26Å; N207-S210 VanDerWaalsContact O-OG 3.05Å
211E97.9Very high97.6Very high65 Ų6516.7 Ų16.730%0.3049%0.087SC..THydrogen-bonded Turntrans-82.3-1.7169.2-68.9169.3-166.500113.5R155 N207 M209 W213 K469R155-E211 IonicContact CZ-OE1 2.7Å; R155-E211 IonicContact NH1-OE1 3.91Å; R155-E211 PolarHBondContact NH1-OE1 2.96Å; R155-E211 IonicContact NH2-OE1 2.98Å; R155-E211 PolarHBondContact NH2-OE1 3.18Å; N207-E211 VanDerWaalsContact O-CB 3.31Å; N207-E211 WeakPolarHBondContact O-CB 3.44Å; N207-E211 VanDerWaalsContact O-CG 3.27Å; N207-E211 WeakPolarHBondContact O-CG 3.3Å; N207-E211 PolarHBondContact O-N 3.37Å; M209-E211 VanDerWaalsContact C-N 3.3Å; M209-E211 PolarHBondContact O-N 3.48Å; E211-W213 VanDerWaalsContact CB-CD1 3.48Å; E211-W213 PolarHBondContact OE2-NE1 2.77Å; E211-K469 VanDerWaalsContact O-CE 3.24Å; E211-K469 WeakPolarHBondContact O-CE 3.19Å; E211-K469 PolarHBondContact O-NZ 2.94Å
212K98Very high97.3Very high25 Ų2517.7 Ų17.711%0.1099%0.088CC..THydrogen-bonded Turntrans69.123.2174.9-50.5179.8179.8177.80115.4T158 L208 M209 F214 S466 L633T158-K212 VanDerWaalsContact C-NZ 3.27Å; T158-K212 PolarHBondContact O-NZ 3.39Å; T158-K212 WeakPolarHBondContact OG1-CE 3.23Å; T158-K212 PolarHBondContact OG1-NZ 2.89Å; L208-K212 PolarHBondContact O-N 3.31Å; M209-K212 WeakPolarHBondContact O-CA 3.47Å; M209-K212 PolarHBondContact O-N 3.1Å; K212-F214 VanDerWaalsContact C-N 3.28Å; K212-F214 PolarHBondContact O-N 2.75Å; K212-S466 WeakPolarHBondContact O-CB 3.49Å; K212-L633 HydrophobicContact CB-CD2 4.04Å; K212-L633 HydrophobicContact CD-CD2 4.29Å; K212-L633 HydrophobicContact CG-CD2 3.97Å
213W98.6Very high97.2Very high37 Ų3719.7 Ų19.714%0.1410%0.099CC..SBendtrans-63.9-35.6176.6-65.7102.2000112.3L208 E211 S466 K469 F470 K482 V486L208-W213 HydrophobicContact CD2-CB 4.45Å; L208-W213 HydrophobicContact CD2-CG 4.08Å; L208-W213 PolarHBondContact O-N 3.49Å; E211-W213 VanDerWaalsContact CB-CD1 3.48Å; E211-W213 PolarHBondContact OE2-NE1 2.77Å; W213-S466 PolarHBondContact O-N 3.1Å; W213-K469 HydrophobicContact CD2-CB 4.49Å; W213-K469 HydrophobicContact CE3-CB 3.75Å; W213-K469 HydrophobicContact CZ3-CB 3.9Å; W213-K469 VanDerWaalsContact CZ3-O 3.26Å; W213-K469 WeakPolarHBondContact CZ3-O 3.48Å; W213-F470 HydrophobicContact CE3-CD1 4.23Å; W213-F470 AromaticContact CE3-CE1 3.78Å; W213-F470 HydrophobicContact CE3-CE1 3.78Å; W213-F470 HydrophobicContact CE3-CE2 4.27Å; W213-F470 AromaticContact CE3-CZ 3.82Å; W213-F470 HydrophobicContact CE3-CZ 3.82Å; W213-F470 HydrophobicContact CZ3-CD1 4.02Å; W213-F470 HydrophobicContact CZ3-CE1 4.02Å; W213-F470 HydrophobicContact CZ3-CG 4.43Å; W213-F470 HydrophobicContact CZ3-CZ 4.43Å; W213-K482 HydrophobicContact CE3-CG 4.13Å; W213-K482 HydrophobicContact CH2-CG 3.89Å; W213-K482 HydrophobicContact CZ2-CG 4.49Å; W213-K482 HydrophobicContact CZ3-CG 3.69Å; W213-V486 HydrophobicContact CB-CG1 4.17Å; W213-V486 HydrophobicContact CB-CG2 4.02Å; W213-V486 HydrophobicContact CD2-CG2 4.45Å; W213-V486 HydrophobicContact CE3-CG2 4.48Å; W213-V486 HydrophobicContact CG-CG2 4.27Å
214F98.7Very high97.1Very high0 Ų018.6 Ų18.60%09%0.093CC..EExtended strand (participates in β ladder)trans-153.4172.2173.375.2-86.7000110.2T205 L208 M209 K212 H216 S464 I465 V486 V490T205-F214 HydrophobicContact CG2-CZ 4.3Å; L208-F214 HydrophobicContact CB-CD1 4.05Å; L208-F214 HydrophobicContact CB-CE1 3.55Å; L208-F214 HydrophobicContact CD1-CE1 4.19Å; M209-F214 HydrophobicContact CG-CD2 4.3Å; M209-F214 HydrophobicContact CG-CE1 4.24Å; M209-F214 HydrophobicContact CG-CE2 3.76Å; M209-F214 HydrophobicContact CG-CZ 3.73Å; M209-F214 HydrophobicContact SD-CE2 4.29Å; K212-F214 VanDerWaalsContact C-N 3.28Å; K212-F214 PolarHBondContact O-N 2.75Å; F214-H216 AromaticContact CE2-CD2 3.89Å; F214-H216 AromaticContact CE2-NE2 3.66Å; F214-S464 VanDerWaalsContact CA-O 3.3Å; F214-S464 WeakPolarHBondContact CA-O 3.43Å; F214-S464 WeakPolarHBondContact CB-O 3.46Å; F214-I465 HydrophobicContact CB-CG1 4.26Å; F214-V486 HydrophobicContact CB-CG1 4.29Å; F214-V486 HydrophobicContact CD1-CG1 3.79Å; F214-V486 HydrophobicContact CG-CG1 4.42Å; F214-V490 HydrophobicContact CB-CG2 4.02Å; F214-V490 HydrophobicContact CD1-CG2 3.73Å; F214-V490 HydrophobicContact CD2-CG2 3.58Å; F214-V490 HydrophobicContact CE1-CG2 4Å; F214-V490 HydrophobicContact CE2-CG2 3.89Å; F214-V490 HydrophobicContact CG-CG2 3.5Å; F214-V490 VanDerWaalsContact CG-CG2 3.5Å; F214-V490 HydrophobicContact CZ-CG2 4.08Å
215T98.5Very high97Very high5 Ų515.6 Ų15.63%0.0318%0.081CC..EExtended strand (participates in β ladder)trans-145.3146.8167.9-1680000111.1A463 S464 T629 L633T215-A463 WeakPolarHBondContact O-CA 3.24Å; T215-S464 PolarHBondContact N-O 3.39Å; T215-S464 PolarHBondContact O-N 3.1Å; T215-T629 HydrophobicContact CG2-CG2 3.9Å; T215-L633 HydrophobicContact CG2-CD1 4Å; T215-L633 HydrophobicContact CG2-CG 4.38Å
216H98.1Very high96.9Very high0 Ų016.3 Ų16.30%09%0.085CC..EExtended strand (participates in β ladder)trans-73.3160.9171.6-75.3-73.7000111.5I194 F214 T220 L221I194-H216 WeakPolarHBondContact CD1-NE2 3.41Å; F214-H216 AromaticContact CE2-CD2 3.89Å; F214-H216 AromaticContact CE2-NE2 3.66Å; H216-T220 HydrophobicContact CB-CG2 3.8Å; H216-L221 HydrophobicContact CB-CD2 4.43Å
217A95Very high96.8Very high15 Ų1519.9 Ų19.912%0.12411%0.108CC..  trans-63.3160.3175.400000112.6P219 T220 L221 S233 L462A217-P219 VanDerWaalsContact C-CD 3.48Å; A217-T220 WeakPolarHBondContact O-CB 3.01Å; A217-T220 PolarHBondContact O-N 3.22Å; A217-L221 PolarHBondContact O-N 3.31Å; A217-L221 VanDerWaalsContact O-N 3.14Å; A217-S233 WeakPolarHBondContact CB-OG 3.49Å; A217-L462 HydrophobicContact CB-CB 3.69Å; A217-L462 PolarHBondContact N-O 3.27Å
218S93.2Very high96.5Very high12 Ų1222.4 Ų22.48%0.08412%0.117CC..Hα-helixtrans-55.7-42.1-173-60.30000114.5Y171 T220 L221 F222Y171-S218 PolarHBondContact OH-OG 3.36Å; S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact O-N 2.96Å; S218-L221 PolarHBondContact O-N 2.88Å; S218-L221 VanDerWaalsContact O-N 3.14Å; S218-F222 WeakPolarHBondContact O-CD2 3.4Å; S218-F222 WeakPolarHBondContact O-CG 3.38Å; S218-F222 PolarHBondContact O-N 3.33Å
219P92.9Very high96.3Very high12 Ų1223.5 Ų23.58%0.07812%0.124CC..Hα-helixtrans-58.6-40.5176.8-25.136.4000112.6A217 F222 N223A217-P219 VanDerWaalsContact C-CD 3.48Å; P219-F222 PolarHBondContact O-N 3.19Å; P219-N223 VanDerWaalsContact O-CB 3.26Å; P219-N223 WeakPolarHBondContact O-CB 3.42Å; P219-N223 PolarHBondContact O-N 2.94Å; P219-N223 PolarHBondContact O-ND2 2.8Å
220T96.1Very high96.1Very high1 Ų123.6 Ų23.61%0.00613%0.125CC..Hα-helixtrans-62.6-45.8174.5-44.20000111.5V190 I194 H216 A217 S218 F222 N223 A224 L231 V497V190-T220 HydrophobicContact CG1-CG2 4.23Å; I194-T220 HydrophobicContact CD1-CG2 3.93Å; I194-T220 HydrophobicContact CG1-CG2 4.3Å; H216-T220 HydrophobicContact CB-CG2 3.8Å; A217-T220 WeakPolarHBondContact O-CB 3.01Å; A217-T220 PolarHBondContact O-N 3.22Å; S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact O-N 2.96Å; T220-F222 VanDerWaalsContact C-N 3.33Å; T220-F222 PolarHBondContact O-N 2.9Å; T220-N223 PolarHBondContact O-N 3.25Å; T220-A224 HydrophobicContact CG2-CB 4.3Å; T220-A224 WeakPolarHBondContact O-CB 2.91Å; T220-A224 PolarHBondContact O-N 3.44Å; T220-L231 PolarHBondContact OG1-O 3.26Å; T220-L231 VanDerWaalsContact OG1-O 3.06Å; T220-V497 HydrophobicContact CG2-CG2 4.41Å
221L96.4Very high95.9Very high1 Ų123.5 Ų23.51%0.00512%0.124CC..Hα-helixtrans-62.9-38.1178.4-60.8178.6000112.6Y171 M186 R189 V190 H216 A217 S218Y171-L221 HydrophobicContact CD1-CB 3.75Å; Y171-L221 HydrophobicContact CD1-CD1 4.05Å; Y171-L221 HydrophobicContact CE1-CB 4Å; Y171-L221 HydrophobicContact CE1-CD1 3.82Å; M186-L221 HydrophobicContact CE-CD2 4.29Å; R189-L221 PolarHBondContact NH1-O 3.34Å; R189-L221 PolarHBondContact NH2-O 2.94Å; R189-L221 VanDerWaalsContact NH2-O 3.12Å; V190-L221 HydrophobicContact CG1-CD2 4.33Å; V190-L221 HydrophobicContact CG2-CD2 4.24Å; H216-L221 HydrophobicContact CB-CD2 4.43Å; A217-L221 PolarHBondContact O-N 3.31Å; A217-L221 VanDerWaalsContact O-N 3.14Å; S218-L221 PolarHBondContact O-N 2.88Å; S218-L221 VanDerWaalsContact O-N 3.14Å
222F93.2Very high95.8Very high46 Ų4620.4 Ų20.420%0.20211%0.11CC..Hα-helixtrans-70.2-45.4177.4-65.3-39.5000112.4S170 Y171 S218 P219 T220S170-F222 WeakPolarHBondContact O-CE1 3.24Å; Y171-F222 AromaticContact CD1-CD1 3.66Å; Y171-F222 HydrophobicContact CD1-CD1 3.66Å; Y171-F222 AromaticContact CD1-CE1 3.24Å; Y171-F222 HydrophobicContact CD1-CE1 3.24Å; Y171-F222 AromaticContact CD1-CZ 3.95Å; Y171-F222 HydrophobicContact CD1-CZ 3.95Å; Y171-F222 AromaticContact CD2-CE1 3.86Å; Y171-F222 HydrophobicContact CD2-CE1 3.86Å; Y171-F222 HydrophobicContact CD2-CZ 4.39Å; Y171-F222 HydrophobicContact CE1-CD1 4.06Å; Y171-F222 AromaticContact CE1-CE1 3.42Å; Y171-F222 HydrophobicContact CE1-CE1 3.42Å; Y171-F222 VanDerWaalsContact CE1-CE1 3.42Å; Y171-F222 HydrophobicContact CE1-CE2 4.37Å; Y171-F222 AromaticContact CE1-CZ 3.6Å; Y171-F222 HydrophobicContact CE1-CZ 3.6Å; Y171-F222 AromaticContact CE2-CE1 3.99Å; Y171-F222 HydrophobicContact CE2-CE1 3.99Å; Y171-F222 HydrophobicContact CE2-CZ 4.06Å; Y171-F222 HydrophobicContact CG-CD1 4.1Å; Y171-F222 AromaticContact CG-CE1 3.47Å; Y171-F222 HydrophobicContact CG-CE1 3.47Å; Y171-F222 VanDerWaalsContact CG-CE1 3.47Å; Y171-F222 HydrophobicContact CG-CZ 4.33Å; Y171-F222 AromaticContact CZ-CE1 3.79Å; Y171-F222 AromaticContact CZ-CZ 3.65Å; S218-F222 WeakPolarHBondContact O-CD2 3.4Å; S218-F222 WeakPolarHBondContact O-CG 3.38Å; S218-F222 PolarHBondContact O-N 3.33Å; P219-F222 PolarHBondContact O-N 3.19Å; T220-F222 VanDerWaalsContact C-N 3.33Å; T220-F222 PolarHBondContact O-N 2.9Å
223N95Very high95.5Very high43 Ų4320.1 Ų20.123%0.2311%0.111CC..Hα-helixtrans-113-16.2-158.2-61.4-35.1000114.5P219 T220 G225 T226 P229 Q230 L231P219-N223 VanDerWaalsContact O-CB 3.26Å; P219-N223 WeakPolarHBondContact O-CB 3.42Å; P219-N223 PolarHBondContact O-N 2.94Å; P219-N223 PolarHBondContact O-ND2 2.8Å; T220-N223 PolarHBondContact O-N 3.25Å; N223-G225 PolarHBondContact O-N 2.84Å; N223-T226 WeakPolarHBondContact O-CB 3.21Å; N223-T226 WeakPolarHBondContact O-CG2 3.26Å; N223-T226 PolarHBondContact O-N 2.86Å; N223-T226 PolarHBondContact O-OG1 2.95Å; N223-P229 WeakPolarHBondContact O-CA 3.32Å; N223-P229 WeakPolarHBondContact O-CB 3.37Å; N223-Q230 WeakPolarHBondContact CB-O 3.15Å; N223-Q230 PolarHBondContact ND2-O 2.99Å; N223-L231 HydrophobicContact CB-CD2 4.03Å
224A97.5Very high95.2Very high0 Ų019 Ų190%011%0.108CC..THydrogen-bonded Turntrans-58.6127.7178.100000110.6R189 V190 T220 T226 L231R189-A224 PolarHBondContact NH1-O 2.83Å; V190-A224 HydrophobicContact CB-CB 4.21Å; V190-A224 HydrophobicContact CG1-CB 4.06Å; V190-A224 HydrophobicContact CG2-CB 4.17Å; T220-A224 HydrophobicContact CG2-CB 4.3Å; T220-A224 WeakPolarHBondContact O-CB 2.91Å; T220-A224 PolarHBondContact O-N 3.44Å; A224-T226 VanDerWaalsContact C-N 3.26Å; A224-T226 PolarHBondContact O-N 3.39Å; A224-L231 HydrophobicContact CB-CD2 3.88Å; A224-L231 VanDerWaalsContact N-CD2 3.32Å
225G97Very high95.2Very high5 Ų519 Ų195%0.05211%0.108CC..THydrogen-bonded Turntrans77.13.8-177.600000115.7V132 S133 L136 N223V132-G225 CarbonylContact C-O 3.58Å; V132-G225 WeakPolarHBondContact CA-O 3.41Å; S133-G225 PolarHBondContact N-O 2.84Å; L136-G225 VanDerWaalsContact CD1-CA 3.4Å; N223-G225 PolarHBondContact O-N 2.84Å
226T96.5Very high95.2Very high15 Ų1518.8 Ų18.89%0.09211%0.107CC..SBendtrans-83.6165.417271.10000110.8N223 A224 K228 P229N223-T226 WeakPolarHBondContact O-CB 3.21Å; N223-T226 WeakPolarHBondContact O-CG2 3.26Å; N223-T226 PolarHBondContact O-N 2.86Å; N223-T226 PolarHBondContact O-OG1 2.95Å; A224-T226 VanDerWaalsContact C-N 3.26Å; A224-T226 PolarHBondContact O-N 3.39Å; T226-K228 PolarHBondContact O-N 3.4Å; T226-K228 VanDerWaalsContact O-N 3.09Å; T226-P229 WeakPolarHBondContact O-CD 3.41Å
227P95.3Very high95.2Very high75 Ų7518.8 Ų18.849%0.48711%0.107SC..SBendtrans-59.5-22.2-178.8-2635.1000115.1P130P130-P227 HydrophobicContact CB-CG 4.47Å; P130-P227 HydrophobicContact CG-CG 4.2Å; P130-P227 WeakPolarHBondContact O-CG 3.23Å
228K92.7Very high95.3Very high100 Ų10018.2 Ų18.244%0.43510%0.102SC..SBendtrans-135.877.9179.3-164.7-179.2-177.4-157.90109.7T226 Q230 N260 F502T226-K228 PolarHBondContact O-N 3.4Å; T226-K228 VanDerWaalsContact O-N 3.09Å; K228-Q230 PolarHBondContact O-N 3.22Å; K228-N260 PolarHBondContact NZ-OD1 3.34Å; K228-F502 HydrophobicContact CD-CD1 4.37Å; K228-F502 HydrophobicContact CD-CE1 4.34Å; K228-F502 VanDerWaalsContact CE-CD1 3.46Å; K228-F502 HydrophobicContact CG-CB 4.38Å; K228-F502 HydrophobicContact CG-CD1 4.04Å; K228-F502 HydrophobicContact CG-CD2 4.13Å; K228-F502 HydrophobicContact CG-CE1 4.46Å; K228-F502 HydrophobicContact CG-CG 3.88Å
229P94.3Very high95.5Very high32 Ų3217.6 Ų17.621%0.20810%0.098CC..  trans-80.274.9-166.533.5-36.2000111.8N223 T226 L231 T501 F502N223-P229 WeakPolarHBondContact O-CA 3.32Å; N223-P229 WeakPolarHBondContact O-CB 3.37Å; T226-P229 WeakPolarHBondContact O-CD 3.41Å; P229-L231 HydrophobicContact CB-CD2 4.02Å; P229-L231 HydrophobicContact CB-CG 4.48Å; P229-L231 WeakPolarHBondContact O-CG 3.27Å; P229-L231 PolarHBondContact O-N 3.35Å; P229-T501 CarbonylContact O-C 3.55Å; P229-T501 WeakPolarHBondContact O-CA 3.49Å; P229-F502 PolarHBondContact O-N 3.43Å
230Q94.2Very high95.7Very high5 Ų519.5 Ų19.52%0.02311%0.105CC..  trans-74.6113.7168.2-166.3-73.3-13.300107.9N223 K228 S232 N260 F502 P504N223-Q230 WeakPolarHBondContact CB-O 3.15Å; N223-Q230 PolarHBondContact ND2-O 2.99Å; K228-Q230 PolarHBondContact O-N 3.22Å; Q230-S232 PolarHBondContact NE2-O 2.97Å; Q230-S232 PolarHBondContact OE1-O 3.43Å; Q230-N260 HydrophobicContact CG-CB 4.33Å; Q230-F502 HydrophobicContact CB-CB 4.47Å; Q230-F502 HydrophobicContact CB-CD1 4.23Å; Q230-F502 HydrophobicContact CG-CD1 4.48Å; Q230-F502 WeakPolarHBondContact CG-O 3.37Å; Q230-P504 HydrophobicContact CG-CG 4.12Å
231L95.7Very high95.6Very high0 Ų023.6 Ų23.60%013%0.127CC..  trans-109.9-10.3-171.4-51.1-175.3000114T220 N223 A224 P229 V497 V500 T501T220-L231 PolarHBondContact OG1-O 3.26Å; T220-L231 VanDerWaalsContact OG1-O 3.06Å; N223-L231 HydrophobicContact CB-CD2 4.03Å; A224-L231 HydrophobicContact CB-CD2 3.88Å; A224-L231 VanDerWaalsContact N-CD2 3.32Å; P229-L231 HydrophobicContact CB-CD2 4.02Å; P229-L231 HydrophobicContact CB-CG 4.48Å; P229-L231 WeakPolarHBondContact O-CG 3.27Å; P229-L231 PolarHBondContact O-N 3.35Å; L231-V497 HydrophobicContact CB-CG1 3.79Å; L231-V497 HydrophobicContact CD1-CG1 4.1Å; L231-V497 HydrophobicContact CD1-CG2 4.25Å; L231-V500 HydrophobicContact CD1-CG2 3.74Å; L231-T501 PolarHBondContact N-OG1 2.93Å
232S94.6Very high95.6Very high0 Ų024.9 Ų24.90%013%0.133CC..  trans-87.8148.1-172.8-49.30000111.7Q230 V459 N461Q230-S232 PolarHBondContact NE2-O 2.97Å; Q230-S232 PolarHBondContact OE1-O 3.43Å; S232-V459 VanDerWaalsContact OG-CG1 3.31Å; S232-V459 WeakPolarHBondContact OG-CG1 3.31Å; S232-N461 PolarHBondContact OG-OD1 2.83Å
233S91.3Very high95.6Very high19 Ų1924 Ų2413%0.13313%0.133CC..  trans-91.8-50.4-169.6-60.70000114.8A217 G263 C460A217-S233 WeakPolarHBondContact CB-OG 3.49Å; S233-G263 PolarHBondContact O-N 3.29Å; S233-C460 PolarHBondContact N-O 3.26Å
234C93.6Very high95.5Very high13 Ų1327.3 Ų27.39%0.08815%0.15CC..EExtended strand (participates in β ladder)trans-134.1160.5-177.2-65.20000110.8G263 N443 C460C234-G263 CarbonylContact C-O 3.53Å; C234-G263 VanDerWaalsContact CA-O 3.25Å; C234-G263 WeakPolarHBondContact CA-O 3.24Å; C234-N443 HydrophobicContact CB-CB 3.87Å; C234-C460 HydrophobicContact CB-CB 4.09Å; C234-C460 WeakPolarHBondContact O-CB 3.38Å; C234-C460 PolarHBondContact O-N 3.5Å
235F97.6Very high95.5Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-129.7139.1179.4-62.8-94.8000109.8I257 G263 I264 G265 T457 A458 V459 P504 A508F235-I257 HydrophobicContact CB-CD1 3.97Å; F235-I257 HydrophobicContact CB-CG2 4.12Å; F235-I257 HydrophobicContact CD1-CD1 4.23Å; F235-I257 HydrophobicContact CD2-CB 4.45Å; F235-I257 HydrophobicContact CD2-CG1 4.45Å; F235-I257 HydrophobicContact CD2-CG2 3.24Å; F235-I257 HydrophobicContact CE2-CG2 3.76Å; F235-I257 HydrophobicContact CG-CD1 4.01Å; F235-I257 HydrophobicContact CG-CG1 4.31Å; F235-I257 HydrophobicContact CG-CG2 3.76Å; F235-G263 PolarHBondContact N-O 2.84Å; F235-I264 WeakPolarHBondContact O-CA 3.08Å; F235-G265 PolarHBondContact O-N 3.49Å; F235-T457 HydrophobicContact CB-CG2 3.81Å; F235-T457 HydrophobicContact CD1-CG2 3.92Å; F235-T457 HydrophobicContact CG-CG2 4.35Å; F235-A458 VanDerWaalsContact CA-O 3.25Å; F235-A458 WeakPolarHBondContact CA-O 3.5Å; F235-V459 HydrophobicContact CD1-CG1 4.49Å; F235-V459 HydrophobicContact CD1-CG2 3.93Å; F235-V459 HydrophobicContact CE1-CG1 4.04Å; F235-V459 HydrophobicContact CE1-CG2 3.9Å; F235-P504 HydrophobicContact CZ-CG 4.15Å; F235-A508 HydrophobicContact CD1-CB 3.95Å; F235-A508 HydrophobicContact CE1-CB 3.8Å
236L98.3Very high95.5Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-111118.5175.9-71.767.2000108.4G265 N443 I448 E450 S452 T457 A458L236-G265 CarbonylContact C-O 3.34Å; L236-G265 WeakPolarHBondContact CA-O 3.35Å; L236-N443 HydrophobicContact CD1-CB 3.72Å; L236-N443 HydrophobicContact CG-CB 4.43Å; L236-I448 HydrophobicContact CD1-CB 4.24Å; L236-I448 HydrophobicContact CD1-CG2 3.66Å; L236-I448 HydrophobicContact CD2-CG2 4.18Å; L236-E450 HydrophobicContact CD2-CB 4.49Å; L236-S452 WeakPolarHBondContact O-CB 3.26Å; L236-T457 CarbonylContact O-C 3.3Å; L236-T457 WeakPolarHBondContact O-CA 3.26Å; L236-A458 HydrophobicContact CB-CB 3.84Å; L236-A458 HydrophobicContact CD1-CB 4.49Å; L236-A458 PolarHBondContact N-O 2.99Å; L236-A458 PolarHBondContact O-N 3.35Å
237I98.2Very high95.6Very high1 Ų134 Ų341%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-115.2139.7-170.8-53.7171.3000108.2T250 E253 C254 I257 I264 G265 L266 N267 T457I237-T250 HydrophobicContact CG2-CG2 4.02Å; I237-E253 HydrophobicContact CD1-CG 4.3Å; I237-C254 VanDerWaalsContact CD1-SG 3.57Å; I237-I257 HydrophobicContact CD1-CD1 3.69Å; I237-I257 HydrophobicContact CG1-CD1 4.31Å; I237-I264 HydrophobicContact CD1-CD1 4.23Å; I237-I264 HydrophobicContact CD1-CG2 3.72Å; I237-I264 HydrophobicContact CG1-CG2 4.38Å; I237-G265 PolarHBondContact N-O 2.97Å; I237-L266 HydrophobicContact CB-CD1 4.01Å; I237-L266 HydrophobicContact CG2-CD1 3.98Å; I237-L266 WeakPolarHBondContact O-CA 3.43Å; I237-L266 WeakPolarHBondContact O-CD1 3.44Å; I237-N267 PolarHBondContact O-N 2.97Å; I237-N267 PolarHBondContact O-ND2 3.45Å; I237-N267 VanDerWaalsContact O-ND2 3.11Å; I237-T457 HydrophobicContact CG1-CG2 3.83Å
238T97.8Very high95.7Very high2 Ų236.4 Ų36.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-101.9132.8167.5-66.20000108.8K240 N267 S452T238-K240 PolarHBondContact O-N 3.46Å; T238-N267 WeakPolarHBondContact CA-ND2 3.42Å; T238-N267 PolarHBondContact OG1-ND2 3.22Å; T238-S452 PolarHBondContact OG1-O 2.94Å; T238-S452 PolarHBondContact OG1-OG 2.86Å
239M97.8Very high95.9Very high0 Ų035.4 Ų35.40%018%0.18CC..  trans-54.5123.6172.9-177.962.972.600109.7D241 I247 T250 L266 N267 V268 N270 I271 M291 F295M239-D241 PolarHBondContact O-N 3.34Å; M239-I247 HydrophobicContact CE-CG1 4.43Å; M239-I247 HydrophobicContact SD-CB 4.34Å; M239-I247 HydrophobicContact SD-CG1 3.94Å; M239-T250 HydrophobicContact CE-CG2 4.23Å; M239-T250 HydrophobicContact SD-CG2 3.9Å; M239-L266 HydrophobicContact CE-CD2 4.3Å; M239-N267 WeakPolarHBondContact CB-O 3.42Å; M239-V268 HydrophobicContact CE-CG1 3.91Å; M239-N270 WeakPolarHBondContact CB-OD1 3.32Å; M239-N270 PolarHBondContact O-ND2 3.37Å; M239-I271 HydrophobicContact CE-CD1 4.35Å; M239-I271 HydrophobicContact CE-CG1 4.19Å; M239-I271 HydrophobicContact CG-CD1 3.5Å; M239-I271 VanDerWaalsContact CG-CD1 3.5Å; M239-I271 HydrophobicContact CG-CG1 3.94Å; M239-I271 HydrophobicContact SD-CD1 4.16Å; M239-M291 HydrophobicContact CE-CE 4.2Å; M239-M291 HydrophobicContact CE-SD 3.94Å; M239-F295 HydrophobicContact CE-CE2 4.44Å; M239-F295 HydrophobicContact CE-CZ 4.09Å
240K97Very high96.1Very high51 Ų5133.9 Ų33.922%0.22217%0.17CC..  trans-64.9-41.1-167.1-75.3-172.4-179-176.70112.6T238 D249 T250 E253 P454 E507T238-K240 PolarHBondContact O-N 3.46Å; K240-D249 HydrophobicContact CD-CB 4.15Å; K240-T250 WeakPolarHBondContact CG-OG1 3.38Å; K240-T250 PolarHBondContact N-OG1 3.48Å; K240-E253 WeakPolarHBondContact CE-OE2 3.48Å; K240-E253 IonicContact NZ-OE2 2.71Å; K240-E253 PolarHBondContact NZ-OE2 2.91Å; K240-P454 HydrophobicContact CB-CB 4.28Å; K240-P454 WeakPolarHBondContact CE-O 3.38Å; K240-P454 HydrophobicContact CG-CB 4.18Å; K240-P454 WeakPolarHBondContact O-CG 3.38Å; K240-E507 IonicContact NZ-OE1 3.85Å; K240-E507 PolarHBondContact NZ-OE1 2.8Å
241D94.8Very high96.3Very high88 Ų8834.4 Ų34.447%0.47117%0.173SC..  trans-162158.4-179.6-172.627.8000110.7M239 S243M239-D241 PolarHBondContact O-N 3.34Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact O-N 3.08Å; D241-S243 WeakPolarHBondContact OD2-CB 3.44Å; D241-S243 PolarHBondContact OD2-OG 2.71Å
242D94.7Very high96.3Very high27 Ų2741 Ų4114%0.14420%0.202CC..SBendtrans-83.761.2172179.145.2000110.6N270 I271 R272D242-N270 WeakPolarHBondContact CB-O 3.11Å; D242-I271 HydrophobicContact CB-CD1 4.26Å; D242-I271 WeakPolarHBondContact OD1-CA 3.45Å; D242-R272 PolarHBondContact O-NH2 3.21Å; D242-R272 PolarHBondContact OD1-N 3.32Å; D242-R272 IonicContact OD1-NE 2.96Å; D242-R272 IonicContact OD2-CZ 3.69Å; D242-R272 IonicContact OD2-NE 3.88Å; D242-R272 PolarHBondContact OD2-NE 2.83Å; D242-R272 IonicContact OD2-NH2 3.59Å; D242-R272 PolarHBondContact OD2-NH2 2.68Å
243S93.9Very high96.4Very high28 Ų2841.3 Ų41.320%0.19620%0.203CC..SBendtrans-147.7161.3-178.959.30000110.6D241 E245 G246 I247D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact O-N 3.08Å; D241-S243 WeakPolarHBondContact OD2-CB 3.44Å; D241-S243 PolarHBondContact OD2-OG 2.71Å; S243-E245 VanDerWaalsContact C-N 3.25Å; S243-E245 PolarHBondContact O-N 3.43Å; S243-G246 PolarHBondContact O-N 3.05Å; S243-G246 PolarHBondContact OG-N 3.23Å; S243-G246 VanDerWaalsContact OG-N 3.11Å; S243-I247 WeakPolarHBondContact O-CB 3.28Å; S243-I247 WeakPolarHBondContact O-CD1 3.26Å; S243-I247 WeakPolarHBondContact O-CG1 3.25Å; S243-I247 PolarHBondContact O-N 2.78Å
244I93.8Very high96.7Very high112 Ų11240.4 Ų40.457%0.57420%0.197SC*.Hα-helixtrans-62-40.1177-66-61.2000110.1Y248I244-Y248 HydrophobicContact CG2-CD2 3.85Å; I244-Y248 HydrophobicContact CG2-CE2 4.08Å; I244-Y248 WeakPolarHBondContact O-CB 3.46Å; I244-Y248 VanDerWaalsContact O-CD2 3.29Å; I244-Y248 WeakPolarHBondContact O-CD2 3.45Å; I244-Y248 PolarHBondContact O-N 3.44Å
245E95.9Very high96.7Very high134 Ų13440.9 Ų40.963%0.62620%0.202SC*.Hα-helixtrans-59.1-52.5175-65.176.3-17200110.9S243 I247 Y248 D249S243-E245 VanDerWaalsContact C-N 3.25Å; S243-E245 PolarHBondContact O-N 3.43Å; E245-I247 PolarHBondContact O-N 3.48Å; E245-Y248 PolarHBondContact O-N 3.45Å; E245-D249 WeakPolarHBondContact O-CB 3.4Å; E245-D249 PolarHBondContact O-N 3.49Å
246G97.4Very high96.5Very high5 Ų543.2 Ų43.25%0.05222%0.216CC..Hα-helixtrans-59.1-47.1178.100000113.1S243 D249 T250S243-G246 PolarHBondContact O-N 3.05Å; S243-G246 PolarHBondContact OG-N 3.23Å; S243-G246 VanDerWaalsContact OG-N 3.11Å; G246-D249 PolarHBondContact O-N 3.05Å; G246-T250 WeakPolarHBondContact O-CB 3.4Å; G246-T250 PolarHBondContact O-N 2.96Å; G246-T250 PolarHBondContact O-OG1 3.44Å; G246-T250 VanDerWaalsContact O-OG1 3.14Å
247I97.9Very high96.2Very high22 Ų2243.2 Ų43.211%0.11322%0.216CC..Hα-helixtrans-61-47.4179.6-69.5164.3000111.3M239 S243 E245 T250 L251 I271 M291 F295M239-I247 HydrophobicContact CE-CG1 4.43Å; M239-I247 HydrophobicContact SD-CB 4.34Å; M239-I247 HydrophobicContact SD-CG1 3.94Å; S243-I247 WeakPolarHBondContact O-CB 3.28Å; S243-I247 WeakPolarHBondContact O-CD1 3.26Å; S243-I247 WeakPolarHBondContact O-CG1 3.25Å; S243-I247 PolarHBondContact O-N 2.78Å; E245-I247 PolarHBondContact O-N 3.48Å; I247-T250 PolarHBondContact O-N 3.04Å; I247-L251 WeakPolarHBondContact O-CB 3.2Å; I247-L251 PolarHBondContact O-N 3.37Å; I247-I271 HydrophobicContact CD1-CD1 4.01Å; I247-I271 HydrophobicContact CG1-CD1 3.82Å; I247-M291 HydrophobicContact CD1-SD 3.87Å; I247-M291 HydrophobicContact CG1-SD 3.9Å; I247-M291 HydrophobicContact CG2-CG 3.79Å; I247-M291 HydrophobicContact CG2-SD 3.85Å; I247-F295 HydrophobicContact CG2-CE2 4.2Å
248Y98Very high95.9Very high125 Ų12543.2 Ų43.249%0.4922%0.216SC..Hα-helixtrans-75-31.2-177.9-85.6-100.7000112.7I244 E245 L251 K252I244-Y248 HydrophobicContact CG2-CD2 3.85Å; I244-Y248 HydrophobicContact CG2-CE2 4.08Å; I244-Y248 WeakPolarHBondContact O-CB 3.46Å; I244-Y248 VanDerWaalsContact O-CD2 3.29Å; I244-Y248 WeakPolarHBondContact O-CD2 3.45Å; I244-Y248 PolarHBondContact O-N 3.44Å; E245-Y248 PolarHBondContact O-N 3.45Å; Y248-L251 HydrophobicContact CD1-CD2 4.45Å; Y248-L251 PolarHBondContact O-N 2.86Å; Y248-K252 WeakPolarHBondContact O-CB 3.38Å; Y248-K252 PolarHBondContact O-N 3.48Å
249D98Very high95.4Very high79 Ų7949.9 Ų49.942%0.42225%0.245SC..Hα-helixtrans-67.2-41.5171.5-82.8-21.3000111.5K240 E245 G246 K252 E253K240-D249 HydrophobicContact CD-CB 4.15Å; E245-D249 WeakPolarHBondContact O-CB 3.4Å; E245-D249 PolarHBondContact O-N 3.49Å; G246-D249 PolarHBondContact O-N 3.05Å; D249-K252 WeakPolarHBondContact O-CB 3.21Å; D249-K252 PolarHBondContact O-N 3.03Å; D249-E253 WeakPolarHBondContact O-CB 3.48Å; D249-E253 PolarHBondContact O-N 3.32Å
250T98.3Very high94.9Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-61.6-42.6170.8-67.10000111.5I237 M239 K240 G246 I247 K252 E253 C254 L266 F295I237-T250 HydrophobicContact CG2-CG2 4.02Å; M239-T250 HydrophobicContact CE-CG2 4.23Å; M239-T250 HydrophobicContact SD-CG2 3.9Å; K240-T250 WeakPolarHBondContact CG-OG1 3.38Å; K240-T250 PolarHBondContact N-OG1 3.48Å; G246-T250 WeakPolarHBondContact O-CB 3.4Å; G246-T250 PolarHBondContact O-N 2.96Å; G246-T250 PolarHBondContact O-OG1 3.44Å; G246-T250 VanDerWaalsContact O-OG1 3.14Å; I247-T250 PolarHBondContact O-N 3.04Å; T250-K252 PolarHBondContact O-N 3.1Å; T250-E253 WeakPolarHBondContact O-CB 3.29Å; T250-E253 PolarHBondContact O-N 2.89Å; T250-C254 PolarHBondContact O-N 3.39Å; T250-C254 PolarHBondContact O-SG 2.71Å; T250-L266 HydrophobicContact CG2-CD1 3.69Å; T250-L266 HydrophobicContact CG2-CD2 4.05Å; T250-F295 HydrophobicContact CG2-CE1 4.44Å; T250-F295 HydrophobicContact CG2-CZ 4.35Å
251L97.5Very high94.3Very high17 Ų1750.2 Ų50.29%0.08925%0.253CS..Hα-helixtrans-63.3-41.3176.8-17766.5000112.1I247 Y248 C254 A255 V294 F295 T298I247-L251 WeakPolarHBondContact O-CB 3.2Å; I247-L251 PolarHBondContact O-N 3.37Å; Y248-L251 HydrophobicContact CD1-CD2 4.45Å; Y248-L251 PolarHBondContact O-N 2.86Å; L251-C254 WeakPolarHBondContact O-CB 3.23Å; L251-C254 PolarHBondContact O-N 2.91Å; L251-A255 WeakPolarHBondContact O-CB 3.34Å; L251-A255 PolarHBondContact O-N 3.3Å; L251-V294 HydrophobicContact CD2-CG1 3.61Å; L251-F295 HydrophobicContact CB-CE1 4.17Å; L251-F295 HydrophobicContact CB-CE2 4.34Å; L251-F295 HydrophobicContact CB-CZ 3.87Å; L251-F295 HydrophobicContact CD1-CB 4.38Å; L251-F295 HydrophobicContact CD1-CD1 3.53Å; L251-F295 HydrophobicContact CD1-CD2 3.98Å; L251-F295 HydrophobicContact CD1-CE1 3.64Å; L251-F295 HydrophobicContact CD1-CE2 4.08Å; L251-F295 HydrophobicContact CD1-CG 3.71Å; L251-F295 HydrophobicContact CD1-CZ 3.92Å; L251-F295 HydrophobicContact CG-CZ 4.5Å; L251-T298 HydrophobicContact CD1-CG2 3.94Å; L251-T298 HydrophobicContact CG-CG2 4.48Å
252K96.9Very high94Very high137 Ų13746 Ų4660%0.59623%0.231SC*.Hα-helixtrans-60.7-45.9174.5173.2-172.7172.3-170.40110.8Y248 D249 T250 C254 A255 V256Y248-K252 WeakPolarHBondContact O-CB 3.38Å; Y248-K252 PolarHBondContact O-N 3.48Å; D249-K252 WeakPolarHBondContact O-CB 3.21Å; D249-K252 PolarHBondContact O-N 3.03Å; T250-K252 PolarHBondContact O-N 3.1Å; K252-C254 VanDerWaalsContact C-N 3.32Å; K252-C254 PolarHBondContact O-N 3.47Å; K252-A255 PolarHBondContact O-N 3.04Å; K252-V256 WeakPolarHBondContact O-CG2 3.4Å; K252-V256 PolarHBondContact O-N 3.48Å
253E96.6Very high93.8Very high7 Ų745 Ų453%0.03323%0.227CC..Hα-helixtrans-58.4-45.5175176.2161.7-17700111.2I237 K240 D249 T250 A255 V256 I257 T457 V505I237-E253 HydrophobicContact CD1-CG 4.3Å; K240-E253 WeakPolarHBondContact CE-OE2 3.48Å; K240-E253 IonicContact NZ-OE2 2.71Å; K240-E253 PolarHBondContact NZ-OE2 2.91Å; D249-E253 WeakPolarHBondContact O-CB 3.48Å; D249-E253 PolarHBondContact O-N 3.32Å; T250-E253 WeakPolarHBondContact O-CB 3.29Å; T250-E253 PolarHBondContact O-N 2.89Å; E253-A255 PolarHBondContact O-N 3.1Å; E253-V256 PolarHBondContact O-N 3.46Å; E253-I257 HydrophobicContact CG-CD1 3.87Å; E253-I257 WeakPolarHBondContact O-CG1 3.43Å; E253-I257 PolarHBondContact O-N 3.41Å; E253-T457 WeakPolarHBondContact OE1-CB 3.36Å; E253-T457 PolarHBondContact OE1-OG1 3.34Å; E253-V505 HydrophobicContact CG-CG1 4.14Å; E253-V505 HydrophobicContact CG-CG2 4.25Å
254C96Very high93.9Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-58.1-45.6174.3-65.90000112.3I237 T250 L251 K252 V256 I257 S258 I264 F313I237-C254 VanDerWaalsContact CD1-SG 3.57Å; T250-C254 PolarHBondContact O-N 3.39Å; T250-C254 PolarHBondContact O-SG 2.71Å; L251-C254 WeakPolarHBondContact O-CB 3.23Å; L251-C254 PolarHBondContact O-N 2.91Å; K252-C254 VanDerWaalsContact C-N 3.32Å; K252-C254 PolarHBondContact O-N 3.47Å; C254-V256 PolarHBondContact O-N 2.98Å; C254-I257 PolarHBondContact O-N 3.44Å; C254-S258 WeakPolarHBondContact O-CB 3.13Å; C254-S258 PolarHBondContact O-N 3.31Å; C254-I264 VanDerWaalsContact CA-CD1 3.43Å; C254-I264 HydrophobicContact CB-CD1 3.54Å; C254-I264 VanDerWaalsContact O-CD1 3.32Å; C254-I264 WeakPolarHBondContact O-CD1 3.48Å; C254-F313 HydrophobicContact CB-CE2 4.31Å; C254-F313 HydrophobicContact CB-CZ 4.25Å
255A93.6Very high94.1Very high24 Ų2438.4 Ų38.420%0.19819%0.19CC..Hα-helixtrans-62.8-42.5177.900000112.1L251 K252 E253 S258 K259 T298 V302L251-A255 WeakPolarHBondContact O-CB 3.34Å; L251-A255 PolarHBondContact O-N 3.3Å; K252-A255 PolarHBondContact O-N 3.04Å; E253-A255 PolarHBondContact O-N 3.1Å; A255-S258 PolarHBondContact O-N 2.89Å; A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 PolarHBondContact O-N 3.24Å; A255-T298 HydrophobicContact CB-CG2 4.07Å; A255-V302 HydrophobicContact CB-CG2 4.16Å; A255-V302 WeakPolarHBondContact O-CG1 3.27Å
256V94.1Very high94.3Very high49 Ų4932 Ų3230%0.29716%0.161SC..Hα-helixtrans-64.6-41.5178.2172.40000111.1K252 E253 C254 N260 P504 V505K252-V256 WeakPolarHBondContact O-CG2 3.4Å; K252-V256 PolarHBondContact O-N 3.48Å; E253-V256 PolarHBondContact O-N 3.46Å; C254-V256 PolarHBondContact O-N 2.98Å; V256-N260 PolarHBondContact O-ND2 3.19Å; V256-P504 HydrophobicContact CG1-CB 4.03Å; V256-P504 VanDerWaalsContact CG1-O 3.32Å; V256-P504 WeakPolarHBondContact CG1-O 3.4Å; V256-V505 HydrophobicContact CB-CG1 4.19Å; V256-V505 HydrophobicContact CG1-CG1 3.8Å
257I93Very high94.3Very high0 Ų031.8 Ų31.80%016%0.158CC..Hα-helixtrans-65.4-49.8175.7-72.6164.9000110.9F235 I237 E253 C254 K259 N260 A261 G262 I264 T457 P504 V505F235-I257 HydrophobicContact CB-CD1 3.97Å; F235-I257 HydrophobicContact CB-CG2 4.12Å; F235-I257 HydrophobicContact CD1-CD1 4.23Å; F235-I257 HydrophobicContact CD2-CB 4.45Å; F235-I257 HydrophobicContact CD2-CG1 4.45Å; F235-I257 HydrophobicContact CD2-CG2 3.24Å; F235-I257 HydrophobicContact CE2-CG2 3.76Å; F235-I257 HydrophobicContact CG-CD1 4.01Å; F235-I257 HydrophobicContact CG-CG1 4.31Å; F235-I257 HydrophobicContact CG-CG2 3.76Å; I237-I257 HydrophobicContact CD1-CD1 3.69Å; I237-I257 HydrophobicContact CG1-CD1 4.31Å; E253-I257 HydrophobicContact CG-CD1 3.87Å; E253-I257 WeakPolarHBondContact O-CG1 3.43Å; E253-I257 PolarHBondContact O-N 3.41Å; C254-I257 PolarHBondContact O-N 3.44Å; I257-K259 VanDerWaalsContact C-N 3.31Å; I257-K259 PolarHBondContact O-N 2.95Å; I257-N260 CarbonylContact O-C 3.43Å; I257-N260 WeakPolarHBondContact O-CA 3.37Å; I257-N260 PolarHBondContact O-N 2.67Å; I257-A261 PolarHBondContact O-N 3.4Å; I257-G262 PolarHBondContact O-N 3.01Å; I257-I264 HydrophobicContact CB-CD1 4.24Å; I257-I264 HydrophobicContact CG2-CD1 4.09Å; I257-I264 HydrophobicContact CG2-CG1 3.98Å; I257-T457 HydrophobicContact CD1-CG2 4.21Å; I257-P504 HydrophobicContact CG1-CB 4.26Å; I257-V505 HydrophobicContact CD1-CG2 4.08Å; I257-V505 HydrophobicContact CG1-CG2 4.26Å
258S90.7Very high94.3Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-59.1-41.3-179.2-165.30000111.9C254 A255 N260 A261 V302C254-S258 WeakPolarHBondContact O-CB 3.13Å; C254-S258 PolarHBondContact O-N 3.31Å; A255-S258 PolarHBondContact O-N 2.89Å; S258-N260 PolarHBondContact O-N 3.09Å; S258-N260 VanDerWaalsContact O-N 3.14Å; S258-A261 WeakPolarHBondContact O-CA 3.3Å; S258-A261 PolarHBondContact O-N 2.92Å; S258-V302 PolarHBondContact OG-O 2.83Å
259K88.5Confident94.3Very high143 Ų14324.8 Ų24.862%0.62213%0.129SC*.Hα-helixtrans-54.9-33.8174.7175.4-177.7175.7179.80112.7A255 I257 A261 V302A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 PolarHBondContact O-N 3.24Å; I257-K259 VanDerWaalsContact C-N 3.31Å; I257-K259 PolarHBondContact O-N 2.95Å; K259-A261 VanDerWaalsContact C-N 3.32Å; K259-V302 HydrophobicContact CB-CG1 3.87Å
260N87Confident94.1Very high27 Ų2722.4 Ų22.414%0.14412%0.117CC..THydrogen-bonded Turntrans-96.422.1178.3-61.3-91.7000112.3K228 Q230 V256 I257 S258 P504K228-N260 PolarHBondContact NZ-OD1 3.34Å; Q230-N260 HydrophobicContact CG-CB 4.33Å; V256-N260 PolarHBondContact O-ND2 3.19Å; I257-N260 CarbonylContact O-C 3.43Å; I257-N260 WeakPolarHBondContact O-CA 3.37Å; I257-N260 PolarHBondContact O-N 2.67Å; S258-N260 PolarHBondContact O-N 3.09Å; S258-N260 VanDerWaalsContact O-N 3.14Å; N260-P504 HydrophobicContact CB-CB 4.45Å; N260-P504 HydrophobicContact CB-CG 3.95Å
261A84Confident94.1Very high31 Ų3122.6 Ų22.626%0.25612%0.118SC..THydrogen-bonded Turntrans65.231174.500000116.4I257 S258 K259 Q304I257-A261 PolarHBondContact O-N 3.4Å; S258-A261 WeakPolarHBondContact O-CA 3.3Å; S258-A261 PolarHBondContact O-N 2.92Å; K259-A261 VanDerWaalsContact C-N 3.32Å; A261-Q304 HydrophobicContact CB-CB 3.88Å; A261-Q304 HydrophobicContact CB-CG 4.45Å
262G87.6Confident94Very high0 Ų023.7 Ų23.70%012%0.121CC..  trans-87.5135.9169.800000112.8I257 Q304I257-G262 PolarHBondContact O-N 3.01Å; G262-Q304 PolarHBondContact O-NE2 3.35Å
263G91.9Very high94.1Very high6 Ų617.2 Ų17.26%0.0629%0.093CC..EExtended strand (participates in β ladder)trans-74152.8163.600000111.3S233 C234 F235S233-G263 PolarHBondContact O-N 3.29Å; C234-G263 CarbonylContact C-O 3.53Å; C234-G263 VanDerWaalsContact CA-O 3.25Å; C234-G263 WeakPolarHBondContact CA-O 3.24Å; F235-G263 PolarHBondContact N-O 2.84Å
264I96.2Very high94Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-125.3129.4-173.8-58.5-172.1000110.9F235 I237 C254 I257 L266 A312 F313 A314F235-I264 WeakPolarHBondContact O-CA 3.08Å; I237-I264 HydrophobicContact CD1-CD1 4.23Å; I237-I264 HydrophobicContact CD1-CG2 3.72Å; I237-I264 HydrophobicContact CG1-CG2 4.38Å; C254-I264 VanDerWaalsContact CA-CD1 3.43Å; C254-I264 HydrophobicContact CB-CD1 3.54Å; C254-I264 VanDerWaalsContact O-CD1 3.32Å; C254-I264 WeakPolarHBondContact O-CD1 3.48Å; I257-I264 HydrophobicContact CB-CD1 4.24Å; I257-I264 HydrophobicContact CG2-CD1 4.09Å; I257-I264 HydrophobicContact CG2-CG1 3.98Å; I264-L266 HydrophobicContact CG2-CB 4.27Å; I264-A312 PolarHBondContact N-O 3.03Å; I264-F313 HydrophobicContact CB-CB 4.36Å; I264-F313 HydrophobicContact CB-CD1 3.71Å; I264-F313 HydrophobicContact CB-CE1 4.35Å; I264-F313 HydrophobicContact CB-CG 4.21Å; I264-F313 HydrophobicContact CD1-CD1 3.71Å; I264-F313 HydrophobicContact CD1-CE1 3.45Å; I264-F313 VanDerWaalsContact CD1-CE1 3.45Å; I264-F313 HydrophobicContact CD1-CZ 3.99Å; I264-F313 HydrophobicContact CG1-CD1 3.84Å; I264-F313 HydrophobicContact CG1-CE1 3.99Å; I264-F313 CarbonylContact O-C 3.6Å; I264-F313 WeakPolarHBondContact O-CA 3.41Å; I264-A314 PolarHBondContact O-N 3.45Å
265G97.9Very high94Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-105.6130.6155.800000109F235 L236 I237 A314F235-G265 PolarHBondContact O-N 3.49Å; L236-G265 CarbonylContact C-O 3.34Å; L236-G265 WeakPolarHBondContact CA-O 3.35Å; I237-G265 PolarHBondContact N-O 2.97Å; G265-A314 CarbonylContact C-O 3.59Å; G265-A314 WeakPolarHBondContact CA-O 3.31Å
266L98.5Very high94Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-132.3124.6-179.2173.261.1000109.6I237 M239 T250 I264 V268 F295 A314 M315 Y316I237-L266 HydrophobicContact CB-CD1 4.01Å; I237-L266 HydrophobicContact CG2-CD1 3.98Å; I237-L266 WeakPolarHBondContact O-CA 3.43Å; I237-L266 WeakPolarHBondContact O-CD1 3.44Å; M239-L266 HydrophobicContact CE-CD2 4.3Å; T250-L266 HydrophobicContact CG2-CD1 3.69Å; T250-L266 HydrophobicContact CG2-CD2 4.05Å; I264-L266 HydrophobicContact CG2-CB 4.27Å; L266-V268 HydrophobicContact CD2-CG1 4.14Å; L266-V268 HydrophobicContact CG-CG1 3.98Å; L266-F295 HydrophobicContact CD2-CD1 3.93Å; L266-F295 HydrophobicContact CD2-CE1 3.37Å; L266-F295 HydrophobicContact CD2-CZ 3.93Å; L266-A314 PolarHBondContact N-O 3.49Å; L266-M315 HydrophobicContact CB-CE 3.9Å; L266-M315 HydrophobicContact CB-SD 4.17Å; L266-M315 HydrophobicContact CD2-CE 4.17Å; L266-M315 HydrophobicContact CD2-SD 3.94Å; L266-M315 HydrophobicContact CG-SD 4.33Å; L266-M315 CarbonylContact O-C 3.57Å; L266-M315 WeakPolarHBondContact O-CA 3.3Å; L266-Y316 PolarHBondContact O-N 3.28Å
267N98.2Very high93.9Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-86.1138.1167.263.298.8000111.1I237 T238 M239 R440 C441I237-N267 PolarHBondContact O-N 2.97Å; I237-N267 PolarHBondContact O-ND2 3.45Å; I237-N267 VanDerWaalsContact O-ND2 3.11Å; T238-N267 WeakPolarHBondContact CA-ND2 3.42Å; T238-N267 PolarHBondContact OG1-ND2 3.22Å; M239-N267 WeakPolarHBondContact CB-O 3.42Å; N267-R440 HydrophobicContact CB-CB 4.03Å; N267-C441 HydrophobicContact CB-CB 3.98Å
268V98.1Very high93.8Very high0 Ų026.9 Ų26.90%014%0.137CC..  trans-125.618.8179.1-60.60000112.4M239 L266 N270 I271 M291 L292 Y316 L317 F327M239-V268 HydrophobicContact CE-CG1 3.91Å; L266-V268 HydrophobicContact CD2-CG1 4.14Å; L266-V268 HydrophobicContact CG-CG1 3.98Å; V268-N270 PolarHBondContact O-N 3.49Å; V268-N270 VanDerWaalsContact O-N 3.13Å; V268-I271 PolarHBondContact O-N 3.41Å; V268-M291 HydrophobicContact CB-CE 4.18Å; V268-M291 HydrophobicContact CG1-CE 4Å; V268-L292 HydrophobicContact CG1-CD2 4.36Å; V268-Y316 PolarHBondContact N-O 2.95Å; V268-Y316 VanDerWaalsContact N-O 3.08Å; V268-L317 HydrophobicContact CG2-CD1 4.01Å; V268-F327 HydrophobicContact CG2-CE2 4.4Å
269H96.9Very high93.4Very high0 Ų030.7 Ų30.70%017%0.168CC..THydrogen-bonded Turntrans-57.7-26.9-176.7-46.1-42.3000114.2Y316 L317 E318 W320 P369 P376 R440H269-Y316 VanDerWaalsContact CE1-C 3.44Å; H269-Y316 PolarHBondContact CE1-O 3.02Å; H269-Y316 VanDerWaalsContact CE1-O 3.23Å; H269-Y316 PolarHBondContact ND1-O 3.28Å; H269-L317 VanDerWaalsContact CE1-C 3.44Å; H269-L317 VanDerWaalsContact CE1-CA 3.42Å; H269-L317 WeakPolarHBondContact CE1-CA 3.48Å; H269-L317 WeakPolarHBondContact ND1-CA 3.35Å; H269-E318 IonicContact CD2-OE1 3.54Å; H269-E318 PolarHBondContact CE1-N 3.2Å; H269-E318 VanDerWaalsContact CE1-N 3.34Å; H269-E318 PolarHBondContact ND1-N 3.34Å; H269-W320 HydrophobicContact CB-CH2 4.41Å; H269-W320 HydrophobicContact CB-CZ2 4.43Å; H269-P369 WeakPolarHBondContact O-CB 3.2Å; H269-P369 WeakPolarHBondContact O-CG 3.43Å; H269-P376 HydrophobicContact CB-CB 4.14Å; H269-P376 HydrophobicContact CB-CG 3.83Å; H269-R440 PolarHBondContact NE2-O 3.15Å
270N94.9Very high93.1Very high29 Ų2927.7 Ų27.716%0.15518%0.178CC..THydrogen-bonded Turntrans-91.7-4.7-174.262.6-29.1000113.8M239 D242 V268M239-N270 WeakPolarHBondContact CB-OD1 3.32Å; M239-N270 PolarHBondContact O-ND2 3.37Å; D242-N270 WeakPolarHBondContact CB-O 3.11Å; V268-N270 PolarHBondContact O-N 3.49Å; V268-N270 VanDerWaalsContact O-N 3.13Å
271I97.5Very high93Very high5 Ų531.6 Ų31.63%0.02620%0.203CC..SBendtrans-80.3132.8178.1-62.3-55.3000109.7M239 D242 I247 V268 I288 M291 H321 P369M239-I271 HydrophobicContact CE-CD1 4.35Å; M239-I271 HydrophobicContact CE-CG1 4.19Å; M239-I271 HydrophobicContact CG-CD1 3.5Å; M239-I271 VanDerWaalsContact CG-CD1 3.5Å; M239-I271 HydrophobicContact CG-CG1 3.94Å; M239-I271 HydrophobicContact SD-CD1 4.16Å; D242-I271 HydrophobicContact CB-CD1 4.26Å; D242-I271 WeakPolarHBondContact OD1-CA 3.45Å; I247-I271 HydrophobicContact CD1-CD1 4.01Å; I247-I271 HydrophobicContact CG1-CD1 3.82Å; V268-I271 PolarHBondContact O-N 3.41Å; I271-I288 HydrophobicContact CB-CG2 3.99Å; I271-I288 HydrophobicContact CG2-CG2 3.77Å; I271-M291 HydrophobicContact CB-CE 4.47Å; I271-M291 HydrophobicContact CD1-SD 4.47Å; I271-M291 HydrophobicContact CG1-CE 4.06Å; I271-M291 HydrophobicContact CG1-SD 4Å; I271-M291 HydrophobicContact CG2-CE 4.33Å; I271-M291 HydrophobicContact CG2-SD 4.15Å; I271-H321 PolarHBondContact O-NE2 3.32Å; I271-P369 VanDerWaalsContact O-CG 3.23Å; I271-P369 WeakPolarHBondContact O-CG 3.19Å
272R96.8Very high93.2Very high40 Ų4036 Ų3615%0.15122%0.222CC..PPolyproline II helixtrans-63145.317972-172.967.9-176.23.8112.7D242 T276 S285 H370D242-R272 PolarHBondContact O-NH2 3.21Å; D242-R272 PolarHBondContact OD1-N 3.32Å; D242-R272 IonicContact OD1-NE 2.96Å; D242-R272 IonicContact OD2-CZ 3.69Å; D242-R272 IonicContact OD2-NE 3.88Å; D242-R272 PolarHBondContact OD2-NE 2.83Å; D242-R272 IonicContact OD2-NH2 3.59Å; D242-R272 PolarHBondContact OD2-NH2 2.68Å; R272-T276 HydrophobicContact CB-CG2 3.97Å; R272-T276 HydrophobicContact CG-CG2 4.43Å; R272-S285 WeakPolarHBondContact CG-OG 3.47Å; R272-H370 HydrophobicContact CB-CB 4.13Å
273S97.3Very high93.4Very high0 Ų037.2 Ų37.20%024%0.235CC..PPolyproline II helixtrans-75173.1-179.467.20000114T276 S285 D323 D368 R397S273-T276 PolarHBondContact O-N 2.99Å; S273-T276 PolarHBondContact O-OG1 3.42Å; S273-T276 VanDerWaalsContact O-OG1 3.05Å; S273-T276 PolarHBondContact OG-OG1 2.76Å; S273-S285 VanDerWaalsContact O-CB 3.24Å; S273-S285 WeakPolarHBondContact O-CB 3.48Å; S273-S285 PolarHBondContact O-OG 3.1Å; S273-D323 WeakPolarHBondContact CA-OD2 3.34Å; S273-D323 WeakPolarHBondContact CB-OD1 3.43Å; S273-D368 WeakPolarHBondContact CB-OD2 3.32Å; S273-D368 PolarHBondContact N-OD2 3.48Å; S273-D368 PolarHBondContact OG-OD2 3.32Å; S273-R397 PolarHBondContact OG-NH1 2.88Å; S273-R397 VanDerWaalsContact OG-NH1 3.16Å
274L95.9Very high93.5Very high89 Ų8943.6 Ų43.647%0.46626%0.263SS..EExtended strand (participates in β ladder)trans-58.8133.9173.8175.865.7000111.3G287 D323 R397L274-G287 VanDerWaalsContact N-CA 3.31Å; L274-D323 PolarHBondContact N-OD1 3.35Å; L274-D323 VanDerWaalsContact N-OD1 3.13Å; L274-R397 PolarHBondContact O-NH1 3.37Å
275G94.4Very high93.4Very high26 Ų2644.4 Ų44.427%0.26827%0.269SS..EExtended strand (participates in β ladder)trans83.56.5178.200000114.5S285 R397G275-S285 PolarHBondContact N-O 3.06Å; G275-R397 PolarHBondContact O-NH2 3.37Å
276T94.6Very high93.2Very high1 Ų150.2 Ų50.21%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-75.2126.3176.9-52.60000111.7R272 S273 E284 S285 D368 H370 R397R272-T276 HydrophobicContact CB-CG2 3.97Å; R272-T276 HydrophobicContact CG-CG2 4.43Å; S273-T276 PolarHBondContact O-N 2.99Å; S273-T276 PolarHBondContact O-OG1 3.42Å; S273-T276 VanDerWaalsContact O-OG1 3.05Å; S273-T276 PolarHBondContact OG-OG1 2.76Å; T276-E284 CarbonylContact O-C 3.55Å; T276-E284 WeakPolarHBondContact O-CA 3.39Å; T276-S285 PolarHBondContact O-N 3.46Å; T276-D368 PolarHBondContact OG1-OD2 3.38Å; T276-H370 HydrophobicContact CG2-CB 4.05Å; T276-R397 PolarHBondContact OG1-NH1 2.91Å; T276-R397 PolarHBondContact OG1-NH2 3.32Å; T276-R397 VanDerWaalsContact OG1-NH2 3.13Å
277Y91.5Very high93Very high117 Ų11750.6 Ų50.646%0.45930%0.304SS..EExtended strand (participates in β ladder)trans-61.2138.5-178177.7-108.9000112.1A279 N282Y277-A279 HydrophobicContact CD1-CB 4.48Å; Y277-A279 VanDerWaalsContact CE1-CA 3.45Å; Y277-A279 HydrophobicContact CE1-CB 3.86Å; Y277-N282 WeakPolarHBondContact CE2-OD1 3.46Å; Y277-N282 PolarHBondContact OH-OD1 2.88Å
278I90.3Very high93Very high50 Ų5050.6 Ų50.626%0.25630%0.304SS..EExtended strand (participates in β ladder)trans-11599.5179.2-53178.7000108.7G280 T281 N282 G283I278-G280 PolarHBondContact O-N 2.87Å; I278-G280 VanDerWaalsContact O-N 3.16Å; I278-T281 WeakPolarHBondContact CG2-OG1 3.35Å; I278-T281 PolarHBondContact O-N 3.18Å; I278-N282 WeakPolarHBondContact O-CA 3.3Å; I278-N282 PolarHBondContact O-N 2.96Å; I278-G283 PolarHBondContact N-O 3.4Å
279A83Confident92.9Very high80 Ų8051 Ų5166%0.66131%0.306SS*.THydrogen-bonded Turntrans-58-32-174.300000114.7Y277Y277-A279 HydrophobicContact CD1-CB 4.48Å; Y277-A279 VanDerWaalsContact CE1-CA 3.45Å; Y277-A279 HydrophobicContact CE1-CB 3.86Å
280G82.3Confident92.9Very high81 Ų8153.9 Ų53.984%0.83533%0.325SS*.THydrogen-bonded Turntrans-73.1-29.1-177.900000114.6I278I278-G280 PolarHBondContact O-N 2.87Å; I278-G280 VanDerWaalsContact O-N 3.16Å
281T85.6Confident93Very high108 Ų10853.5 Ų53.566%0.66332%0.323SS*.THydrogen-bonded Turntrans-117-4-176.554.80000113.2I278 G283I278-T281 WeakPolarHBondContact CG2-OG1 3.35Å; I278-T281 PolarHBondContact O-N 3.18Å; T281-G283 PolarHBondContact O-N 3.45Å
282N88.2Confident93Very high123 Ų12353.3 Ų53.366%0.65832%0.322SS*.THydrogen-bonded Turntrans52.736.7-172.8-167.757.6000112.2Y277 I278Y277-N282 WeakPolarHBondContact CE2-OD1 3.46Å; Y277-N282 PolarHBondContact OH-OD1 2.88Å; I278-N282 WeakPolarHBondContact O-CA 3.3Å; I278-N282 PolarHBondContact O-N 2.96Å
283G92.1Very high93Very high26 Ų2656.2 Ų56.227%0.26833%0.333SS..EExtended strand (participates in β ladder)trans-117-172.6178.200000112.3I278 T281I278-G283 PolarHBondContact N-O 3.4Å; T281-G283 PolarHBondContact O-N 3.45Å
284E93.6Very high93Very high141 Ų14158.9 Ų58.966%0.65935%0.349SS*.EExtended strand (participates in β ladder)trans-120.6147.7178.3-67177.5-177.500110.8T276T276-E284 CarbonylContact O-C 3.55Å; T276-E284 WeakPolarHBondContact O-CA 3.39Å
285S93.9Very high93Very high17 Ų1754.6 Ų54.612%0.11933%0.327CS..EExtended strand (participates in β ladder)trans-68.8145.1174.7178.60000111.4R272 S273 G275 T276 G287R272-S285 WeakPolarHBondContact CG-OG 3.47Å; S273-S285 VanDerWaalsContact O-CB 3.24Å; S273-S285 WeakPolarHBondContact O-CB 3.48Å; S273-S285 PolarHBondContact O-OG 3.1Å; G275-S285 PolarHBondContact N-O 3.06Å; T276-S285 PolarHBondContact O-N 3.46Å; S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact OG-N 2.94Å; S285-G287 VanDerWaalsContact OG-N 3.08Å
286N92.9Very high93Very high121 Ų12154 Ų5465%0.64732%0.317SS*.EExtended strand (participates in β ladder)trans-89.17172.2-61.7-54.1000113.3P290N286-P290 HydrophobicContact CB-CG 3.98Å; N286-P290 VanDerWaalsContact O-CD 3.25Å; N286-P290 WeakPolarHBondContact O-CD 3.36Å
287G95.5Very high93Very high9 Ų957.3 Ų57.39%0.09334%0.341CS..  trans70.8-170.5179.900000114.4L274 S285 D323L274-G287 VanDerWaalsContact N-CA 3.31Å; S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact OG-N 2.94Å; S285-G287 VanDerWaalsContact OG-N 3.08Å; G287-D323 VanDerWaalsContact CA-OD2 3.28Å; G287-D323 WeakPolarHBondContact CA-OD2 3.45Å
288I97.6Very high93.1Very high0 Ų052.8 Ų52.80%033%0.325CS..Hα-helixtrans-78.8-22.3-172.868.7-175.4000113.2I271 M291 L292 L317 D323 F327I271-I288 HydrophobicContact CB-CG2 3.99Å; I271-I288 HydrophobicContact CG2-CG2 3.77Å; I288-M291 HydrophobicContact CB-CE 4.18Å; I288-M291 HydrophobicContact CG2-CE 4.37Å; I288-M291 WeakPolarHBondContact O-CB 3.21Å; I288-M291 PolarHBondContact O-N 3.12Å; I288-L292 HydrophobicContact CB-CD1 4.43Å; I288-L292 HydrophobicContact CD1-CD1 4.41Å; I288-L292 HydrophobicContact CG1-CD1 4.29Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 VanDerWaalsContact O-CG 3.3Å; I288-L292 WeakPolarHBondContact O-CG 3.46Å; I288-L292 PolarHBondContact O-N 3.28Å; I288-L317 HydrophobicContact CD1-CD1 4.17Å; I288-L317 HydrophobicContact CD1-CD2 3.78Å; I288-D323 HydrophobicContact CD1-CB 3.67Å; I288-D323 HydrophobicContact CG1-CB 3.66Å; I288-D323 PolarHBondContact N-OD2 3.37Å; I288-F327 HydrophobicContact CD1-CB 4.14Å; I288-F327 HydrophobicContact CD1-CD2 3.81Å; I288-F327 HydrophobicContact CD1-CG 4.37Å
289V97.1Very high93.1Very high7 Ų750.5 Ų50.54%0.04231%0.313CS..Hα-helixtrans-62.1-51.5-172.41730000112.3M291 L292 R293 Q326 M330 I339V289-M291 VanDerWaalsContact C-N 3.31Å; V289-M291 PolarHBondContact O-N 3.33Å; V289-L292 PolarHBondContact O-N 2.98Å; V289-R293 WeakPolarHBondContact O-CG 3.24Å; V289-R293 PolarHBondContact O-N 3.28Å; V289-R293 VanDerWaalsContact O-N 3.12Å; V289-Q326 HydrophobicContact CG2-CB 3.77Å; V289-M330 HydrophobicContact CB-CE 4.33Å; V289-M330 HydrophobicContact CB-SD 4.47Å; V289-M330 HydrophobicContact CG1-CE 3.86Å; V289-M330 HydrophobicContact CG1-SD 4.43Å; V289-M330 HydrophobicContact CG2-SD 4.04Å; V289-I339 HydrophobicContact CG1-CB 4Å; V289-I339 HydrophobicContact CG1-CG2 4.04Å
290P95.9Very high93.3Very high62 Ų6254.6 Ų54.640%0.40331%0.312SS..Hα-helixtrans-63-37.7176.8-23.436.2000112.6N286 R293 V294N286-P290 HydrophobicContact CB-CG 3.98Å; N286-P290 VanDerWaalsContact O-CD 3.25Å; N286-P290 WeakPolarHBondContact O-CD 3.36Å; P290-R293 PolarHBondContact O-N 3.45Å; P290-V294 PolarHBondContact O-N 2.95Å
291M97.4Very high93.6Very high21 Ų2160.2 Ų60.210%0.10331%0.309CS..Hα-helixtrans-58.1-53.1175.1176.7-169.873.500110.5M239 I247 V268 I271 I288 V289 R293 V294 F295M239-M291 HydrophobicContact CE-CE 4.2Å; M239-M291 HydrophobicContact CE-SD 3.94Å; I247-M291 HydrophobicContact CD1-SD 3.87Å; I247-M291 HydrophobicContact CG1-SD 3.9Å; I247-M291 HydrophobicContact CG2-CG 3.79Å; I247-M291 HydrophobicContact CG2-SD 3.85Å; V268-M291 HydrophobicContact CB-CE 4.18Å; V268-M291 HydrophobicContact CG1-CE 4Å; I271-M291 HydrophobicContact CB-CE 4.47Å; I271-M291 HydrophobicContact CD1-SD 4.47Å; I271-M291 HydrophobicContact CG1-CE 4.06Å; I271-M291 HydrophobicContact CG1-SD 4Å; I271-M291 HydrophobicContact CG2-CE 4.33Å; I271-M291 HydrophobicContact CG2-SD 4.15Å; I288-M291 HydrophobicContact CB-CE 4.18Å; I288-M291 HydrophobicContact CG2-CE 4.37Å; I288-M291 WeakPolarHBondContact O-CB 3.21Å; I288-M291 PolarHBondContact O-N 3.12Å; V289-M291 VanDerWaalsContact C-N 3.31Å; V289-M291 PolarHBondContact O-N 3.33Å; M291-R293 PolarHBondContact O-N 3.19Å; M291-V294 WeakPolarHBondContact O-CA 3.33Å; M291-V294 VanDerWaalsContact O-CB 3.32Å; M291-V294 WeakPolarHBondContact O-CB 3.5Å; M291-V294 PolarHBondContact O-N 3.42Å; M291-F295 HydrophobicContact CG-CD2 4.16Å; M291-F295 HydrophobicContact CG-CE2 3.9Å; M291-F295 WeakPolarHBondContact O-CD2 3.38Å; M291-F295 PolarHBondContact O-N 3.42Å; M291-F295 HydrophobicContact SD-CE2 4.42Å
292L98Very high93.5Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-63.7-25.8-178.3-68.6-179.6000112.6V268 I288 V289 V294 F295 N296 M315 F327 M330 L344 F346V268-L292 HydrophobicContact CG1-CD2 4.36Å; I288-L292 HydrophobicContact CB-CD1 4.43Å; I288-L292 HydrophobicContact CD1-CD1 4.41Å; I288-L292 HydrophobicContact CG1-CD1 4.29Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 VanDerWaalsContact O-CG 3.3Å; I288-L292 WeakPolarHBondContact O-CG 3.46Å; I288-L292 PolarHBondContact O-N 3.28Å; V289-L292 PolarHBondContact O-N 2.98Å; L292-V294 VanDerWaalsContact C-N 3.31Å; L292-V294 PolarHBondContact O-N 2.98Å; L292-F295 WeakPolarHBondContact O-CB 3.41Å; L292-F295 PolarHBondContact O-N 3.39Å; L292-N296 WeakPolarHBondContact O-CB 3.38Å; L292-N296 PolarHBondContact O-N 3.4Å; L292-M315 HydrophobicContact CD2-CB 4.47Å; L292-M315 HydrophobicContact CD2-CG 3.76Å; L292-M315 HydrophobicContact CD2-SD 3.55Å; L292-M315 VanDerWaalsContact CD2-SD 3.55Å; L292-F327 HydrophobicContact CD1-CD2 3.76Å; L292-F327 HydrophobicContact CD1-CE2 3.9Å; L292-M330 HydrophobicContact CB-CE 3.77Å; L292-M330 HydrophobicContact CB-SD 4.18Å; L292-M330 HydrophobicContact CD1-SD 3.83Å; L292-L344 HydrophobicContact CB-CD1 4.19Å; L292-L344 VanDerWaalsContact O-CD1 3.3Å; L292-L344 WeakPolarHBondContact O-CD1 3.3Å; L292-F346 HydrophobicContact CD1-CE1 4.17Å
293R96.4Very high92.7Very high101 Ų10151.8 Ų51.838%0.38126%0.261SS..Hα-helixtrans-66.7-30.3170.8-70.9-176.268.2-147.7-4.4113.5V289 P290 M291 N296 S297 M330 E338V289-R293 WeakPolarHBondContact O-CG 3.24Å; V289-R293 PolarHBondContact O-N 3.28Å; V289-R293 VanDerWaalsContact O-N 3.12Å; P290-R293 PolarHBondContact O-N 3.45Å; M291-R293 PolarHBondContact O-N 3.19Å; R293-N296 WeakPolarHBondContact O-CB 3.37Å; R293-N296 PolarHBondContact O-N 3.46Å; R293-S297 PolarHBondContact O-N 3Å; R293-S297 PolarHBondContact O-OG 2.98Å; R293-M330 HydrophobicContact CG-CE 4.29Å; R293-E338 WeakPolarHBondContact CD-O 3.31Å; R293-E338 VanDerWaalsContact CZ-O 3.24Å; R293-E338 PolarHBondContact NE-O 3.31Å; R293-E338 PolarHBondContact NH1-O 3.24Å
294V96.3Very high91.3Very high56 Ų5651.2 Ų51.234%0.33925%0.251SS..Hα-helixtrans-69.3-41.4171.6-173.90000110.3L251 P290 M291 L292 N296 S297 T298L251-V294 HydrophobicContact CD2-CG1 3.61Å; P290-V294 PolarHBondContact O-N 2.95Å; M291-V294 WeakPolarHBondContact O-CA 3.33Å; M291-V294 VanDerWaalsContact O-CB 3.32Å; M291-V294 WeakPolarHBondContact O-CB 3.5Å; M291-V294 PolarHBondContact O-N 3.42Å; L292-V294 VanDerWaalsContact C-N 3.31Å; L292-V294 PolarHBondContact O-N 2.98Å; V294-N296 VanDerWaalsContact C-N 3.35Å; V294-N296 PolarHBondContact O-N 2.94Å; V294-S297 PolarHBondContact O-N 3.47Å; V294-T298 WeakPolarHBondContact O-CB 3.41Å; V294-T298 PolarHBondContact O-N 3.38Å; V294-T298 PolarHBondContact O-OG1 3.42Å
295F96.7Very high89.7Confident0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-61.3-42.1172.2-78.8-100000111.7M239 I247 T250 L251 L266 M291 L292 S297 T298 A299 F313 L344M239-F295 HydrophobicContact CE-CE2 4.44Å; M239-F295 HydrophobicContact CE-CZ 4.09Å; I247-F295 HydrophobicContact CG2-CE2 4.2Å; T250-F295 HydrophobicContact CG2-CE1 4.44Å; T250-F295 HydrophobicContact CG2-CZ 4.35Å; L251-F295 HydrophobicContact CB-CE1 4.17Å; L251-F295 HydrophobicContact CB-CE2 4.34Å; L251-F295 HydrophobicContact CB-CZ 3.87Å; L251-F295 HydrophobicContact CD1-CB 4.38Å; L251-F295 HydrophobicContact CD1-CD1 3.53Å; L251-F295 HydrophobicContact CD1-CD2 3.98Å; L251-F295 HydrophobicContact CD1-CE1 3.64Å; L251-F295 HydrophobicContact CD1-CE2 4.08Å; L251-F295 HydrophobicContact CD1-CG 3.71Å; L251-F295 HydrophobicContact CD1-CZ 3.92Å; L251-F295 HydrophobicContact CG-CZ 4.5Å; L266-F295 HydrophobicContact CD2-CD1 3.93Å; L266-F295 HydrophobicContact CD2-CE1 3.37Å; L266-F295 HydrophobicContact CD2-CZ 3.93Å; M291-F295 HydrophobicContact CG-CD2 4.16Å; M291-F295 HydrophobicContact CG-CE2 3.9Å; M291-F295 WeakPolarHBondContact O-CD2 3.38Å; M291-F295 PolarHBondContact O-N 3.42Å; M291-F295 HydrophobicContact SD-CE2 4.42Å; L292-F295 WeakPolarHBondContact O-CB 3.41Å; L292-F295 PolarHBondContact O-N 3.39Å; F295-S297 PolarHBondContact O-N 2.82Å; F295-T298 PolarHBondContact O-N 2.99Å; F295-A299 PolarHBondContact O-N 2.98Å; F295-F313 HydrophobicContact CD1-CD2 4.49Å; F295-L344 HydrophobicContact CB-CD1 4.21Å; F295-L344 HydrophobicContact CB-CD2 4.49Å
296N94.9Very high88Confident14 Ų1448.4 Ų48.48%0.07526%0.263CS..Hα-helixtrans-58.2-49.8175.4-173.388.9000111.5L292 R293 V294 T298 A299 R300 A341 R342 D343 L344L292-N296 WeakPolarHBondContact O-CB 3.38Å; L292-N296 PolarHBondContact O-N 3.4Å; R293-N296 WeakPolarHBondContact O-CB 3.37Å; R293-N296 PolarHBondContact O-N 3.46Å; V294-N296 VanDerWaalsContact C-N 3.35Å; V294-N296 PolarHBondContact O-N 2.94Å; N296-T298 VanDerWaalsContact C-N 3.25Å; N296-T298 PolarHBondContact O-N 3.21Å; N296-A299 PolarHBondContact O-N 3.18Å; N296-R300 WeakPolarHBondContact O-CG 3.35Å; N296-R300 PolarHBondContact O-N 3Å; N296-R300 VanDerWaalsContact O-N 3.1Å; N296-A341 HydrophobicContact CB-CB 3.76Å; N296-A341 WeakPolarHBondContact OD1-CA 3.49Å; N296-A341 PolarHBondContact OD1-O 3Å; N296-R342 PolarHBondContact OD1-N 2.96Å; N296-D343 PolarHBondContact ND2-OD2 3.13Å; N296-D343 WeakPolarHBondContact OD1-CA 3.38Å; N296-D343 VanDerWaalsContact OD1-CB 3.32Å; N296-D343 WeakPolarHBondContact OD1-CB 3.06Å; N296-D343 PolarHBondContact OD1-N 2.77Å; N296-D343 PolarHBondContact OD1-OD2 2.67Å; N296-L344 HydrophobicContact CB-CD1 4.12Å; N296-L344 HydrophobicContact CB-CD2 4.49Å; N296-L344 HydrophobicContact CB-CG 3.93Å; N296-L344 PolarHBondContact OD1-N 3.4Å
297S94.7Very high86.3Confident70 Ų7049.7 Ų49.749%0.4927%0.27SS..Hα-helixtrans-62.2-36.6178.9-57.70000111.5R293 V294 F295 R300 Y301R293-S297 PolarHBondContact O-N 3Å; R293-S297 PolarHBondContact O-OG 2.98Å; V294-S297 PolarHBondContact O-N 3.47Å; F295-S297 PolarHBondContact O-N 2.82Å; S297-R300 PolarHBondContact O-N 2.91Å; S297-Y301 WeakPolarHBondContact O-CB 3.3Å; S297-Y301 PolarHBondContact O-N 2.92Å
298T93.3Very high84.4Confident22 Ų2257.5 Ų57.514%0.13530%0.301CS..Hα-helixtrans-68.8-41.2175.6-58.60000112.2L251 A255 V294 F295 N296 R300 Y301 V302L251-T298 HydrophobicContact CD1-CG2 3.94Å; L251-T298 HydrophobicContact CG-CG2 4.48Å; A255-T298 HydrophobicContact CB-CG2 4.07Å; V294-T298 WeakPolarHBondContact O-CB 3.41Å; V294-T298 PolarHBondContact O-N 3.38Å; V294-T298 PolarHBondContact O-OG1 3.42Å; F295-T298 PolarHBondContact O-N 2.99Å; N296-T298 VanDerWaalsContact C-N 3.25Å; N296-T298 PolarHBondContact O-N 3.21Å; T298-R300 PolarHBondContact O-N 3.48Å; T298-Y301 PolarHBondContact O-N 3.44Å; T298-V302 HydrophobicContact CG2-CG2 4.15Å; T298-V302 PolarHBondContact O-N 3.31Å
299A90.2Very high82.7Confident1 Ų162.1 Ų62.11%0.00832%0.319CS..Hα-helixtrans-60.5-36175.400000112F295 N296 G311 F313 L344F295-A299 PolarHBondContact O-N 2.98Å; N296-A299 PolarHBondContact O-N 3.18Å; A299-G311 WeakPolarHBondContact O-CA 3.49Å; A299-G311 PolarHBondContact O-N 3.16Å; A299-F313 HydrophobicContact CB-CD1 4.46Å; A299-F313 HydrophobicContact CB-CD2 3.8Å; A299-F313 HydrophobicContact CB-CE1 4.37Å; A299-F313 HydrophobicContact CB-CE2 3.73Å; A299-F313 HydrophobicContact CB-CG 4.17Å; A299-F313 HydrophobicContact CB-CZ 4.03Å; A299-L344 HydrophobicContact CB-CD2 4.22Å
300R88Confident81.2Confident167 Ų16766.9 Ų66.963%0.6335%0.35SS*.Hα-helixtrans-72.6-41.3173.5-66.2177.575.8153.4-7.5113.3N296 S297 T298 D343N296-R300 WeakPolarHBondContact O-CG 3.35Å; N296-R300 PolarHBondContact O-N 3Å; N296-R300 VanDerWaalsContact O-N 3.1Å; S297-R300 PolarHBondContact O-N 2.91Å; T298-R300 PolarHBondContact O-N 3.48Å; R300-D343 WeakPolarHBondContact CD-OD2 3.36Å; R300-D343 HydrophobicContact CG-CB 3.93Å; R300-D343 VanDerWaalsContact CG-CG 3.4Å; R300-D343 WeakPolarHBondContact CG-OD2 3.32Å; R300-D343 IonicContact NE-OD2 2.75Å; R300-D343 IonicContact NH1-OD2 2.67Å
301Y87.4Confident80.1Confident199 Ų19964.1 Ų64.178%0.7833%0.333SS*.Hα-helixtrans-74.2-45.7-175.9172.6-120.6000112.2S297 T298 D303S297-Y301 WeakPolarHBondContact O-CB 3.3Å; S297-Y301 PolarHBondContact O-N 2.92Å; T298-Y301 PolarHBondContact O-N 3.44Å; Y301-D303 VanDerWaalsContact C-N 3.32Å; Y301-D303 PolarHBondContact O-N 3.28Å
302V83.9Confident79.6Confident25 Ų2563.9 Ų63.915%0.15233%0.334CS..SBendtrans-96.771.4-179-166.70000109.1A255 S258 K259 T298A255-V302 HydrophobicContact CB-CG2 4.16Å; A255-V302 WeakPolarHBondContact O-CG1 3.27Å; S258-V302 PolarHBondContact OG-O 2.83Å; K259-V302 HydrophobicContact CB-CG1 3.87Å; T298-V302 HydrophobicContact CG2-CG2 4.15Å; T298-V302 PolarHBondContact O-N 3.31Å
303D71.3Confident79.5Confident28 Ų2863.9 Ų63.915%0.1533%0.334CS..  trans-71149.2175.6104.4-75.7000110.4Y301 G305 N307Y301-D303 VanDerWaalsContact C-N 3.32Å; Y301-D303 PolarHBondContact O-N 3.28Å; D303-G305 PolarHBondContact O-N 3.02Å; D303-N307 PolarHBondContact OD1-N 2.89Å; D303-N307 PolarHBondContact OD1-OD1 3.26Å; D303-N307 WeakPolarHBondContact OD2-CA 3.43Å; D303-N307 PolarHBondContact OD2-N 3.38Å
304Q63.5Low79.5Confident14 Ų1459 Ų597%0.06532%0.316CS..BIsolated β-bridgetrans-74.9118.2-171.9-61.7-1780.800111.1A261 G262 G306 K308 R309A261-Q304 HydrophobicContact CB-CB 3.88Å; A261-Q304 HydrophobicContact CB-CG 4.45Å; G262-Q304 PolarHBondContact O-NE2 3.35Å; Q304-G306 VanDerWaalsContact C-N 3.35Å; Q304-G306 PolarHBondContact O-N 3.27Å; Q304-K308 WeakPolarHBondContact O-CB 3.2Å; Q304-K308 PolarHBondContact O-N 3.13Å; Q304-R309 WeakPolarHBondContact CA-O 2.99Å; Q304-R309 HydrophobicContact CB-CB 4.04Å; Q304-R309 WeakPolarHBondContact CB-O 3.42Å; Q304-R309 PolarHBondContact N-O 2.97Å; Q304-R309 PolarHBondContact O-N 2.84Å
305G59.3Low79.6Confident40 Ų4056.4 Ų56.441%0.41230%0.3SS..THydrogen-bonded Turntrans71.920.9169.900000115.7D303D303-G305 PolarHBondContact O-N 3.02Å
306G58.6Low79.7Confident60 Ų6056.4 Ų56.462%0.61930%0.3SS*.THydrogen-bonded Turntrans7965173.900000113.5Q304Q304-G306 VanDerWaalsContact C-N 3.35Å; Q304-G306 PolarHBondContact O-N 3.27Å
307N56.2Low79.9Confident148 Ų14855.7 Ų55.779%0.79130%0.296SS*.THydrogen-bonded Turntrans69.324.7-174.7-63.1-46.4000115.3D303D303-N307 PolarHBondContact OD1-N 2.89Å; D303-N307 PolarHBondContact OD1-OD1 3.26Å; D303-N307 WeakPolarHBondContact OD2-CA 3.43Å; D303-N307 PolarHBondContact OD2-N 3.38Å
308K55.7Low80.1Confident173 Ų17352.4 Ų52.475%0.75227%0.273SS*.THydrogen-bonded Turntrans-90.1-36.6177-69.3-173-177.2-178.60112.9Q304Q304-K308 WeakPolarHBondContact O-CB 3.2Å; Q304-K308 PolarHBondContact O-N 3.13Å
309R62.6Low80.4Confident96 Ų9651.4 Ų51.436%0.36227%0.267SS..BIsolated β-bridgetrans-148.5143.7173.7-60179.9176-179.3-6.2110.1Q304Q304-R309 WeakPolarHBondContact CA-O 2.99Å; Q304-R309 HydrophobicContact CB-CB 4.04Å; Q304-R309 WeakPolarHBondContact CB-O 3.42Å; Q304-R309 PolarHBondContact N-O 2.97Å; Q304-R309 PolarHBondContact O-N 2.84Å
310P65Low80.8Confident107 Ų10751.4 Ų51.470%0.69527%0.266SS*.  trans-61.2149.5173.825.6-32.5000111A312P310-A312 PolarHBondContact O-N 2.97Å
311G72.7Confident81.3Confident5 Ų543.4 Ų43.45%0.05224%0.236CC..  trans-59.5136.2168.100000109.7A299A299-G311 WeakPolarHBondContact O-CA 3.49Å; A299-G311 PolarHBondContact O-N 3.16Å
312A87.1Confident81.8Confident15 Ų1535 Ų3512%0.12421%0.206CC..  trans-132.198.7-170.600000110I264 P310 F345 L444I264-A312 PolarHBondContact N-O 3.03Å; P310-A312 PolarHBondContact O-N 2.97Å; A312-F345 HydrophobicContact CB-CE2 4.48Å; A312-L444 HydrophobicContact CB-CD2 3.52Å
313F95.3Very high82.5Confident0 Ų034.3 Ų34.30%020%0.201CC..EExtended strand (participates in β ladder)trans-115.5129.8-177.7-50.4-13.9000110.2C254 I264 F295 A299 M315 L344 F345C254-F313 HydrophobicContact CB-CE2 4.31Å; C254-F313 HydrophobicContact CB-CZ 4.25Å; I264-F313 HydrophobicContact CB-CB 4.36Å; I264-F313 HydrophobicContact CB-CD1 3.71Å; I264-F313 HydrophobicContact CB-CE1 4.35Å; I264-F313 HydrophobicContact CB-CG 4.21Å; I264-F313 HydrophobicContact CD1-CD1 3.71Å; I264-F313 HydrophobicContact CD1-CE1 3.45Å; I264-F313 VanDerWaalsContact CD1-CE1 3.45Å; I264-F313 HydrophobicContact CD1-CZ 3.99Å; I264-F313 HydrophobicContact CG1-CD1 3.84Å; I264-F313 HydrophobicContact CG1-CE1 3.99Å; I264-F313 CarbonylContact O-C 3.6Å; I264-F313 WeakPolarHBondContact O-CA 3.41Å; F295-F313 HydrophobicContact CD1-CD2 4.49Å; A299-F313 HydrophobicContact CB-CD1 4.46Å; A299-F313 HydrophobicContact CB-CD2 3.8Å; A299-F313 HydrophobicContact CB-CE1 4.37Å; A299-F313 HydrophobicContact CB-CE2 3.73Å; A299-F313 HydrophobicContact CB-CG 4.17Å; A299-F313 HydrophobicContact CB-CZ 4.03Å; F313-M315 HydrophobicContact CB-CE 3.37Å; F313-M315 HydrophobicContact CD2-CE 4.29Å; F313-M315 HydrophobicContact CG-CE 4.27Å; F313-L344 HydrophobicContact CB-CD2 3.86Å; F313-L344 HydrophobicContact CD2-CD2 3.96Å; F313-L344 HydrophobicContact CG-CD2 4.29Å; F313-F345 PolarHBondContact O-N 2.99Å
314A97.6Very high83.8Confident0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-103.5120.316900000109.9I264 G265 L266 Y316 F345 F420 L444I264-A314 PolarHBondContact O-N 3.45Å; G265-A314 CarbonylContact C-O 3.59Å; G265-A314 WeakPolarHBondContact CA-O 3.31Å; L266-A314 PolarHBondContact N-O 3.49Å; A314-Y316 HydrophobicContact CB-CD2 4.44Å; A314-Y316 HydrophobicContact CB-CE2 3.8Å; A314-F345 CarbonylContact C-O 3.57Å; A314-F345 WeakPolarHBondContact CA-O 3.37Å; A314-F345 HydrophobicContact CB-CB 4.12Å; A314-F420 HydrophobicContact CB-CE2 4.35Å; A314-L444 HydrophobicContact CB-CB 4.35Å; A314-L444 HydrophobicContact CB-CD1 3.88Å
315M98.5Very high85.4Confident0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-90.9130.2175.1-57.2-62.2112.400108.6L266 L292 F313 F327 L344 F345 F346 A347L266-M315 HydrophobicContact CB-CE 3.9Å; L266-M315 HydrophobicContact CB-SD 4.17Å; L266-M315 HydrophobicContact CD2-CE 4.17Å; L266-M315 HydrophobicContact CD2-SD 3.94Å; L266-M315 HydrophobicContact CG-SD 4.33Å; L266-M315 CarbonylContact O-C 3.57Å; L266-M315 WeakPolarHBondContact O-CA 3.3Å; L292-M315 HydrophobicContact CD2-CB 4.47Å; L292-M315 HydrophobicContact CD2-CG 3.76Å; L292-M315 HydrophobicContact CD2-SD 3.55Å; L292-M315 VanDerWaalsContact CD2-SD 3.55Å; F313-M315 HydrophobicContact CB-CE 3.37Å; F313-M315 HydrophobicContact CD2-CE 4.29Å; F313-M315 HydrophobicContact CG-CE 4.27Å; M315-F327 HydrophobicContact CB-CE2 3.8Å; M315-F327 HydrophobicContact CB-CZ 3.97Å; M315-F327 WeakPolarHBondContact O-CZ 3.5Å; M315-L344 HydrophobicContact CE-CD2 4.45Å; M315-L344 HydrophobicContact CG-CD1 3.98Å; M315-F345 PolarHBondContact N-O 2.92Å; M315-F346 HydrophobicContact CB-CD1 4.35Å; M315-A347 PolarHBondContact O-N 3.45Å
316Y98.7Very high87.1Confident0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-109.7129.6178-75.5-100.5000109.9L266 V268 H269 A314 A347 W349 L422 C441 S442 N443L266-Y316 PolarHBondContact O-N 3.28Å; V268-Y316 PolarHBondContact N-O 2.95Å; V268-Y316 VanDerWaalsContact N-O 3.08Å; H269-Y316 VanDerWaalsContact CE1-C 3.44Å; H269-Y316 PolarHBondContact CE1-O 3.02Å; H269-Y316 VanDerWaalsContact CE1-O 3.23Å; H269-Y316 PolarHBondContact ND1-O 3.28Å; A314-Y316 HydrophobicContact CB-CD2 4.44Å; A314-Y316 HydrophobicContact CB-CE2 3.8Å; Y316-A347 WeakPolarHBondContact CA-O 3.45Å; Y316-A347 HydrophobicContact CD1-CB 3.45Å; Y316-A347 VanDerWaalsContact CD1-CB 3.45Å; Y316-A347 HydrophobicContact CD2-CB 4.13Å; Y316-A347 HydrophobicContact CE1-CB 3.31Å; Y316-A347 HydrophobicContact CE2-CB 4.02Å; Y316-A347 HydrophobicContact CG-CB 3.86Å; Y316-W349 AromaticContact CD1-CE3 3.9Å; Y316-W349 HydrophobicContact CD1-CE3 3.9Å; Y316-W349 HydrophobicContact CE1-CE3 4.07Å; Y316-W349 HydrophobicContact CE1-CZ3 4.38Å; Y316-L422 HydrophobicContact CE1-CD1 3.81Å; Y316-L422 HydrophobicContact CE1-CD2 4.07Å; Y316-L422 HydrophobicContact CE1-CG 4.48Å; Y316-C441 HydrophobicContact CD1-CB 3.92Å; Y316-C441 HydrophobicContact CD2-CB 3.62Å; Y316-C441 HydrophobicContact CE1-CB 4.5Å; Y316-C441 HydrophobicContact CE2-CB 4.24Å; Y316-C441 HydrophobicContact CG-CB 3.44Å; Y316-C441 VanDerWaalsContact CG-CB 3.44Å; Y316-S442 WeakPolarHBondContact CE2-O 3.21Å; Y316-S442 WeakPolarHBondContact OH-CB 3.3Å; Y316-N443 PolarHBondContact OH-O 2.71Å
317L98.7Very high89Confident0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-132140175.2-16570.6000110.8V268 H269 I288 H321 V324 F327 A347 L348 W349V268-L317 HydrophobicContact CG2-CD1 4.01Å; H269-L317 VanDerWaalsContact CE1-C 3.44Å; H269-L317 VanDerWaalsContact CE1-CA 3.42Å; H269-L317 WeakPolarHBondContact CE1-CA 3.48Å; H269-L317 WeakPolarHBondContact ND1-CA 3.35Å; I288-L317 HydrophobicContact CD1-CD1 4.17Å; I288-L317 HydrophobicContact CD1-CD2 3.78Å; L317-H321 HydrophobicContact CD1-CB 3.78Å; L317-H321 HydrophobicContact CD2-CB 3.91Å; L317-H321 HydrophobicContact CG-CB 3.82Å; L317-V324 HydrophobicContact CD2-CB 4.2Å; L317-V324 HydrophobicContact CD2-CG2 4.44Å; L317-F327 HydrophobicContact CB-CD1 3.87Å; L317-F327 HydrophobicContact CB-CD2 4.13Å; L317-F327 HydrophobicContact CB-CE1 3.55Å; L317-F327 HydrophobicContact CB-CE2 3.81Å; L317-F327 HydrophobicContact CB-CG 4.14Å; L317-F327 HydrophobicContact CB-CZ 3.49Å; L317-F327 VanDerWaalsContact CB-CZ 3.49Å; L317-F327 HydrophobicContact CD2-CB 3.71Å; L317-F327 HydrophobicContact CD2-CD1 3.87Å; L317-F327 HydrophobicContact CD2-CD2 3.86Å; L317-F327 HydrophobicContact CD2-CE1 4.41Å; L317-F327 HydrophobicContact CD2-CE2 4.38Å; L317-F327 HydrophobicContact CD2-CG 3.55Å; L317-F327 HydrophobicContact CG-CG 4.49Å; L317-A347 PolarHBondContact N-O 3.09Å; L317-L348 VanDerWaalsContact O-CA 3.32Å; L317-L348 WeakPolarHBondContact O-CA 3.48Å; L317-W349 PolarHBondContact O-N 3.32Å
318E98.7Very high90.9Very high1 Ų126.8 Ų26.81%0.00513%0.133CC..  trans-80.9144.3169.9-61-162.7-150.500110.8H269 W320 H321 W349 K424H269-E318 IonicContact CD2-OE1 3.54Å; H269-E318 PolarHBondContact CE1-N 3.2Å; H269-E318 VanDerWaalsContact CE1-N 3.34Å; H269-E318 PolarHBondContact ND1-N 3.34Å; E318-W320 HydrophobicContact CB-CD2 4.25Å; E318-W320 HydrophobicContact CB-CG 4.32Å; E318-W320 HydrophobicContact CB-CZ2 3.96Å; E318-W320 VanDerWaalsContact CD-NE1 3.33Å; E318-W320 HydrophobicContact CG-CZ2 4.24Å; E318-W320 PolarHBondContact O-N 3.41Å; E318-W320 PolarHBondContact OE2-NE1 3.47Å; E318-H321 WeakPolarHBondContact O-CB 3.39Å; E318-H321 PolarHBondContact O-N 3.47Å; E318-H321 VanDerWaalsContact O-N 3.11Å; E318-W349 WeakPolarHBondContact CA-O 3.34Å; E318-W349 HydrophobicContact CG-CB 4.14Å; E318-W349 WeakPolarHBondContact CG-O 3.4Å; E318-K424 WeakPolarHBondContact OE1-CE 3.41Å; E318-K424 IonicContact OE1-NZ 3.93Å; E318-K424 PolarHBondContact OE1-NZ 2.58Å; E318-K424 WeakPolarHBondContact OE2-CD 3.39Å; E318-K424 IonicContact OE2-NZ 3.79Å; E318-K424 PolarHBondContact OE2-NZ 2.82Å
319P98.6Very high92.8Very high0 Ų021.4 Ų21.40%011%0.111CC..THydrogen-bonded Turntrans-71.2-4.6-170.528.3-35.8000115W349 F354 W364 L405P319-W349 VanDerWaalsContact CD-O 3.29Å; P319-W349 WeakPolarHBondContact CD-O 3.24Å; P319-F354 HydrophobicContact CB-CD1 4.25Å; P319-F354 HydrophobicContact CB-CD2 4.25Å; P319-F354 HydrophobicContact CB-CE1 4.28Å; P319-F354 HydrophobicContact CB-CE2 4.31Å; P319-F354 HydrophobicContact CB-CG 4.21Å; P319-F354 HydrophobicContact CB-CZ 4.31Å; P319-F354 HydrophobicContact CG-CB 4.03Å; P319-F354 HydrophobicContact CG-CD1 3.92Å; P319-F354 HydrophobicContact CG-CD2 4.24Å; P319-F354 HydrophobicContact CG-CE1 4.43Å; P319-F354 HydrophobicContact CG-CG 3.78Å; P319-W364 HydrophobicContact CG-CZ2 4.26Å; P319-W364 PolarHBondContact O-NE1 3.45Å; P319-L405 HydrophobicContact CB-CD2 3.92Å; P319-L405 VanDerWaalsContact O-CD2 3.25Å; P319-L405 WeakPolarHBondContact O-CD2 3.29Å
320W98.5Very high94.4Very high1 Ų116.9 Ų16.90%0.0049%0.094CC..THydrogen-bonded Turntrans-84.4-10.5172.850.8-99.6000112.9H269 E318 W364 L366 M367 P369 L375 P376 F383 Y387H269-W320 HydrophobicContact CB-CH2 4.41Å; H269-W320 HydrophobicContact CB-CZ2 4.43Å; E318-W320 HydrophobicContact CB-CD2 4.25Å; E318-W320 HydrophobicContact CB-CG 4.32Å; E318-W320 HydrophobicContact CB-CZ2 3.96Å; E318-W320 VanDerWaalsContact CD-NE1 3.33Å; E318-W320 HydrophobicContact CG-CZ2 4.24Å; E318-W320 PolarHBondContact O-N 3.41Å; E318-W320 PolarHBondContact OE2-NE1 3.47Å; W320-W364 HydrophobicContact CB-CZ2 3.75Å; W320-L366 CarbonylContact O-C 3.54Å; W320-L366 WeakPolarHBondContact O-CA 3.35Å; W320-M367 HydrophobicContact CE3-CB 4.24Å; W320-M367 VanDerWaalsContact CZ3-O 3.3Å; W320-M367 WeakPolarHBondContact CZ3-O 3.39Å; W320-M367 PolarHBondContact O-N 2.75Å; W320-P369 HydrophobicContact CH2-CB 4.33Å; W320-P369 HydrophobicContact CZ3-CB 4.29Å; W320-L375 HydrophobicContact CD2-CD1 4.1Å; W320-L375 HydrophobicContact CE3-CD1 4.04Å; W320-L375 HydrophobicContact CH2-CB 4.04Å; W320-L375 HydrophobicContact CZ2-CB 3.69Å; W320-L375 HydrophobicContact CZ3-CD1 4.26Å; W320-P376 HydrophobicContact CH2-CG 3.82Å; W320-P376 HydrophobicContact CZ2-CG 3.88Å; W320-F383 AromaticContact CD1-CE2 3.84Å; W320-F383 AromaticContact CD1-CZ 3.48Å; W320-F383 VanDerWaalsContact CD1-CZ 3.48Å; W320-F383 HydrophobicContact CG-CZ 4.41Å; W320-F383 AromaticContact NE1-CE2 3.48Å; W320-F383 AromaticContact NE1-CZ 3.64Å; W320-Y387 HydrophobicContact CB-CD2 4.45Å; W320-Y387 HydrophobicContact CB-CE2 3.77Å; W320-Y387 HydrophobicContact CG-CE2 4.49Å
321H98.6Very high95.8Very high0 Ų013.7 Ų13.70%07%0.068CC..SBendtrans-69135.8-178.9-171.8-82.5000111.4I271 L317 E318 D323 V324I271-H321 PolarHBondContact O-NE2 3.32Å; L317-H321 HydrophobicContact CD1-CB 3.78Å; L317-H321 HydrophobicContact CD2-CB 3.91Å; L317-H321 HydrophobicContact CG-CB 3.82Å; E318-H321 WeakPolarHBondContact O-CB 3.39Å; E318-H321 PolarHBondContact O-N 3.47Å; E318-H321 VanDerWaalsContact O-N 3.11Å; H321-D323 VanDerWaalsContact C-N 3.31Å; H321-D323 IonicContact CE1-OD2 3.72Å; H321-D323 PolarHBondContact ND1-N 3.22Å; H321-D323 VanDerWaalsContact ND1-N 3.1Å; H321-D323 PolarHBondContact O-N 2.84Å; H321-V324 WeakPolarHBondContact O-CB 3.22Å; H321-V324 WeakPolarHBondContact O-CG1 3.29Å; H321-V324 PolarHBondContact O-N 2.86Å
322P98.4Very high96.8Very high23 Ų2314 Ų1415%0.1497%0.068CC..THydrogen-bonded Turntrans-60.2-34.7-175.2-24.933.8000114.9V324 L366 M367 D368 R397P322-V324 PolarHBondContact O-N 3.29Å; P322-L366 HydrophobicContact CB-CB 4.33Å; P322-L366 HydrophobicContact CG-CB 4.3Å; P322-M367 VanDerWaalsContact CD-O 3.31Å; P322-M367 WeakPolarHBondContact CD-O 3.18Å; P322-D368 HydrophobicContact CG-CB 4.16Å; P322-R397 HydrophobicContact CG-CB 4.48Å; P322-R397 HydrophobicContact CG-CG 4.49Å
323D98.1Very high96.7Very high9 Ų919 Ų195%0.0489%0.092CC..THydrogen-bonded Turntrans-77.25.9178.2-59.9-12.1000113.6S273 L274 G287 I288 H321 F325 Q326 F327S273-D323 WeakPolarHBondContact CA-OD2 3.34Å; S273-D323 WeakPolarHBondContact CB-OD1 3.43Å; L274-D323 PolarHBondContact N-OD1 3.35Å; L274-D323 VanDerWaalsContact N-OD1 3.13Å; G287-D323 VanDerWaalsContact CA-OD2 3.28Å; G287-D323 WeakPolarHBondContact CA-OD2 3.45Å; I288-D323 HydrophobicContact CD1-CB 3.67Å; I288-D323 HydrophobicContact CG1-CB 3.66Å; I288-D323 PolarHBondContact N-OD2 3.37Å; H321-D323 VanDerWaalsContact C-N 3.31Å; H321-D323 IonicContact CE1-OD2 3.72Å; H321-D323 PolarHBondContact ND1-N 3.22Å; H321-D323 VanDerWaalsContact ND1-N 3.1Å; H321-D323 PolarHBondContact O-N 2.84Å; D323-F325 VanDerWaalsContact C-N 3.32Å; D323-F325 PolarHBondContact O-N 2.89Å; D323-Q326 PolarHBondContact O-N 3.48Å; D323-Q326 VanDerWaalsContact O-N 3.17Å; D323-F327 WeakPolarHBondContact O-CB 3.28Å; D323-F327 PolarHBondContact O-N 3.3Å
324V98.5Very high96.3Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-57.8-38.4-172.965.80000113.7L317 H321 P322 F327 I328 L348 L366 L405L317-V324 HydrophobicContact CD2-CB 4.2Å; L317-V324 HydrophobicContact CD2-CG2 4.44Å; H321-V324 WeakPolarHBondContact O-CB 3.22Å; H321-V324 WeakPolarHBondContact O-CG1 3.29Å; H321-V324 PolarHBondContact O-N 2.86Å; P322-V324 PolarHBondContact O-N 3.29Å; V324-F327 WeakPolarHBondContact O-CB 2.97Å; V324-F327 PolarHBondContact O-N 2.88Å; V324-I328 WeakPolarHBondContact O-CG1 3.49Å; V324-I328 PolarHBondContact O-N 3.44Å; V324-I328 VanDerWaalsContact O-N 3.11Å; V324-L348 HydrophobicContact CG2-CD2 4.06Å; V324-L366 HydrophobicContact CG1-CD2 4.1Å; V324-L405 HydrophobicContact CG1-CD1 3.74Å; V324-L405 HydrophobicContact CG1-CD2 3.83Å; V324-L405 HydrophobicContact CG1-CG 4.47Å; V324-L405 HydrophobicContact CG2-CD1 4.02Å; V324-L405 HydrophobicContact CG2-CD2 4.29Å
325F97.6Very high95.7Very high52 Ų5226.5 Ų26.523%0.22815%0.15CC..Hα-helixtrans-62.9-46.1178.1-78-83.3000111.3D323 I328 E329 L366 E404 L405 A408D323-F325 VanDerWaalsContact C-N 3.32Å; D323-F325 PolarHBondContact O-N 2.89Å; F325-I328 VanDerWaalsContact O-CG1 3.24Å; F325-I328 WeakPolarHBondContact O-CG1 3.21Å; F325-E329 WeakPolarHBondContact O-CG 3.43Å; F325-L366 HydrophobicContact CD2-CD1 4.39Å; F325-L366 HydrophobicContact CE2-CD1 4.22Å; F325-E404 HydrophobicContact CZ-CG 4.42Å; F325-L405 HydrophobicContact CD1-CD1 4.17Å; F325-L405 HydrophobicContact CD2-CD1 4.36Å; F325-L405 HydrophobicContact CE1-CB 4.34Å; F325-L405 HydrophobicContact CE1-CD1 3.98Å; F325-L405 HydrophobicContact CE2-CB 4.44Å; F325-L405 HydrophobicContact CE2-CD1 4.18Å; F325-L405 HydrophobicContact CG-CD1 4.37Å; F325-L405 HydrophobicContact CZ-CB 3.87Å; F325-L405 HydrophobicContact CZ-CD1 3.99Å; F325-A408 HydrophobicContact CD1-CB 3.91Å; F325-A408 HydrophobicContact CE1-CB 3.9Å
326Q96.2Very high95.2Very high78 Ų7828.4 Ų28.436%0.36417%0.166SC..Hα-helixtrans-68.4-39.7177.1-66.2-176.7-15.400111.2V289 D323 I328 E329 M330V289-Q326 HydrophobicContact CG2-CB 3.77Å; D323-Q326 PolarHBondContact O-N 3.48Å; D323-Q326 VanDerWaalsContact O-N 3.17Å; Q326-I328 PolarHBondContact O-N 3.47Å; Q326-E329 PolarHBondContact O-N 2.96Å; Q326-E329 VanDerWaalsContact O-N 3.13Å; Q326-M330 WeakPolarHBondContact O-CG 3.49Å; Q326-M330 PolarHBondContact O-N 3.23Å
327F98Very high94.8Very high0 Ų033.5 Ų33.50%019%0.189CC..Hα-helixtrans-54.8-49.6179.6176.1-96.3000112.7V268 I288 L292 M315 L317 D323 V324 E329 M330 F346 L348V268-F327 HydrophobicContact CG2-CE2 4.4Å; I288-F327 HydrophobicContact CD1-CB 4.14Å; I288-F327 HydrophobicContact CD1-CD2 3.81Å; I288-F327 HydrophobicContact CD1-CG 4.37Å; L292-F327 HydrophobicContact CD1-CD2 3.76Å; L292-F327 HydrophobicContact CD1-CE2 3.9Å; M315-F327 HydrophobicContact CB-CE2 3.8Å; M315-F327 HydrophobicContact CB-CZ 3.97Å; M315-F327 WeakPolarHBondContact O-CZ 3.5Å; L317-F327 HydrophobicContact CB-CD1 3.87Å; L317-F327 HydrophobicContact CB-CD2 4.13Å; L317-F327 HydrophobicContact CB-CE1 3.55Å; L317-F327 HydrophobicContact CB-CE2 3.81Å; L317-F327 HydrophobicContact CB-CG 4.14Å; L317-F327 HydrophobicContact CB-CZ 3.49Å; L317-F327 VanDerWaalsContact CB-CZ 3.49Å; L317-F327 HydrophobicContact CD2-CB 3.71Å; L317-F327 HydrophobicContact CD2-CD1 3.87Å; L317-F327 HydrophobicContact CD2-CD2 3.86Å; L317-F327 HydrophobicContact CD2-CE1 4.41Å; L317-F327 HydrophobicContact CD2-CE2 4.38Å; L317-F327 HydrophobicContact CD2-CG 3.55Å; L317-F327 HydrophobicContact CG-CG 4.49Å; D323-F327 WeakPolarHBondContact O-CB 3.28Å; D323-F327 PolarHBondContact O-N 3.3Å; V324-F327 WeakPolarHBondContact O-CB 2.97Å; V324-F327 PolarHBondContact O-N 2.88Å; F327-E329 PolarHBondContact O-N 2.92Å; F327-M330 PolarHBondContact O-N 3.22Å; F327-F346 HydrophobicContact CD1-CD1 4.15Å; F327-F346 AromaticContact CD2-CD1 3.81Å; F327-F346 HydrophobicContact CD2-CD1 3.81Å; F327-F346 HydrophobicContact CD2-CE1 4.09Å; F327-F346 HydrophobicContact CE1-CB 4.02Å; F327-F346 AromaticContact CE1-CD1 3.89Å; F327-F346 HydrophobicContact CE1-CD1 3.89Å; F327-F346 HydrophobicContact CE1-CG 4.46Å; F327-F346 AromaticContact CE2-CD1 3.55Å; F327-F346 HydrophobicContact CE2-CD1 3.55Å; F327-F346 HydrophobicContact CE2-CE1 4.02Å; F327-F346 HydrophobicContact CG-CD1 4.12Å; F327-F346 HydrophobicContact CZ-CB 4.24Å; F327-F346 AromaticContact CZ-CD1 3.6Å; F327-F346 HydrophobicContact CZ-CD1 3.6Å; F327-F346 HydrophobicContact CZ-CE1 4.49Å; F327-F346 HydrophobicContact CZ-CG 4.41Å; F327-F346 WeakPolarHBondContact O-CD1 3.46Å; F327-L348 HydrophobicContact CD1-CD2 4.42Å; F327-L348 HydrophobicContact CE1-CD2 4.3Å
328I96.5Very high94.4Very high2 Ų239.1 Ų39.11%0.0122%0.216CC..Hα-helixtrans-67.5-27.8-179.261.5178.1000111.8V324 F325 Q326 L348 L405 A408 I409 C412 P419V324-I328 WeakPolarHBondContact O-CG1 3.49Å; V324-I328 PolarHBondContact O-N 3.44Å; V324-I328 VanDerWaalsContact O-N 3.11Å; F325-I328 VanDerWaalsContact O-CG1 3.24Å; F325-I328 WeakPolarHBondContact O-CG1 3.21Å; Q326-I328 PolarHBondContact O-N 3.47Å; I328-L348 HydrophobicContact CG2-CD1 4.3Å; I328-L348 HydrophobicContact CG2-CD2 4.13Å; I328-L348 HydrophobicContact CG2-CG 4.43Å; I328-L405 HydrophobicContact CD1-CD1 4.48Å; I328-A408 HydrophobicContact CD1-CB 3.74Å; I328-I409 HydrophobicContact CD1-CG1 4.1Å; I328-C412 PolarHBondContact O-SG 2.84Å; I328-P419 HydrophobicContact CG2-CB 4.46Å; I328-P419 HydrophobicContact CG2-CG 3.94Å
329E95.4Very high94Very high60 Ų6041.4 Ų41.428%0.2823%0.228SC..Hα-helixtrans-84.3-11.8-178.6-67.3-167.415100114.8F325 Q326 F327 R331 K332 R340F325-E329 WeakPolarHBondContact O-CG 3.43Å; Q326-E329 PolarHBondContact O-N 2.96Å; Q326-E329 VanDerWaalsContact O-N 3.13Å; F327-E329 PolarHBondContact O-N 2.92Å; E329-R331 PolarHBondContact O-N 3.35Å; E329-K332 HydrophobicContact CB-CD 4.17Å; E329-K332 HydrophobicContact CB-CG 4.48Å; E329-K332 HydrophobicContact CG-CD 4.02Å; E329-K332 WeakPolarHBondContact O-CB 3.35Å; E329-K332 PolarHBondContact O-N 2.99Å; E329-K332 IonicContact OE1-NZ 3.49Å; E329-K332 PolarHBondContact OE1-NZ 3.41Å; E329-R340 PolarHBondContact O-NH1 2.98Å
330M96.7Very high93.8Very high1 Ų142.2 Ų42.21%0.00523%0.231CC..THydrogen-bonded Turntrans-58.7-19.7-174.5-63.8-170.369.100113.4V289 L292 R293 Q326 F327 R340 A341 F346V289-M330 HydrophobicContact CB-CE 4.33Å; V289-M330 HydrophobicContact CB-SD 4.47Å; V289-M330 HydrophobicContact CG1-CE 3.86Å; V289-M330 HydrophobicContact CG1-SD 4.43Å; V289-M330 HydrophobicContact CG2-SD 4.04Å; L292-M330 HydrophobicContact CB-CE 3.77Å; L292-M330 HydrophobicContact CB-SD 4.18Å; L292-M330 HydrophobicContact CD1-SD 3.83Å; R293-M330 HydrophobicContact CG-CE 4.29Å; Q326-M330 WeakPolarHBondContact O-CG 3.49Å; Q326-M330 PolarHBondContact O-N 3.23Å; F327-M330 PolarHBondContact O-N 3.22Å; M330-R340 CarbonylContact O-C 3.55Å; M330-R340 WeakPolarHBondContact O-CA 3.32Å; M330-A341 HydrophobicContact CB-CB 4.38Å; M330-A341 HydrophobicContact CE-CB 3.7Å; M330-A341 PolarHBondContact O-N 2.96Å; M330-F346 HydrophobicContact CB-CE1 3.82Å; M330-F346 HydrophobicContact CB-CE2 3.89Å; M330-F346 HydrophobicContact CB-CZ 3.39Å; M330-F346 HydrophobicContact CG-CE1 4.2Å; M330-F346 HydrophobicContact CG-CZ 4.2Å; M330-F346 HydrophobicContact SD-CE1 3.8Å; M330-F346 HydrophobicContact SD-CZ 4.07Å
331R94Very high93.6Very high40 Ų4042.2 Ų42.215%0.15123%0.23CC..THydrogen-bonded Turntrans-94.9-9.2177.4-155.7172.5-164.8173.313.6114.9E329 L344 F345 F346 N418E329-R331 PolarHBondContact O-N 3.35Å; R331-L344 PolarHBondContact NE-O 3.41Å; R331-F345 VanDerWaalsContact NH1-CE1 3.3Å; R331-F345 VanDerWaalsContact NH2-CZ 3.26Å; R331-F346 HydrophobicContact CB-CD2 3.92Å; R331-F346 HydrophobicContact CB-CE2 4Å; R331-N418 VanDerWaalsContact NH1-CG 3.34Å; R331-N418 PolarHBondContact NH1-ND2 3.46Å; R331-N418 VanDerWaalsContact NH1-ND2 3.15Å; R331-N418 PolarHBondContact NH1-OD1 2.91Å
332K92.7Very high93.3Very high13 Ų1345.5 Ų45.56%0.05724%0.243CC..  trans-57.1146.8179.9-72.6-174.1171.3-177.80110.7E329 R340 R342 E411 E415 T416E329-K332 HydrophobicContact CB-CD 4.17Å; E329-K332 HydrophobicContact CB-CG 4.48Å; E329-K332 HydrophobicContact CG-CD 4.02Å; E329-K332 WeakPolarHBondContact O-CB 3.35Å; E329-K332 PolarHBondContact O-N 2.99Å; E329-K332 IonicContact OE1-NZ 3.49Å; E329-K332 PolarHBondContact OE1-NZ 3.41Å; K332-R340 WeakPolarHBondContact O-CD 3.38Å; K332-R342 PolarHBondContact O-NE 3.48Å; K332-E411 IonicContact NZ-OE2 3.27Å; K332-E411 PolarHBondContact NZ-OE2 2.94Å; K332-E415 WeakPolarHBondContact CD-OE2 3.3Å; K332-E415 WeakPolarHBondContact CE-OE1 3.48Å; K332-E415 WeakPolarHBondContact CE-OE2 3.39Å; K332-E415 WeakPolarHBondContact CG-OE2 3.43Å; K332-E415 IonicContact NZ-OE1 2.65Å; K332-E415 PolarHBondContact NZ-OE1 3.3Å; K332-T416 HydrophobicContact CG-CG2 4.2Å
333N86.5Confident93Very high119 Ų11947.4 Ų47.464%0.63625%0.252SS*.SBendtrans-78.4-26-177.2-72.4-48.6000112.7R342N333-R342 PolarHBondContact O-NH2 2.9Å
334T86.1Confident92.8Very high99 Ų9947 Ų4761%0.60725%0.25SC*.SBendtrans-105.1173.4-177.854.20000111.8R340T334-R340 VanDerWaalsContact O-CZ 3.24Å; T334-R340 PolarHBondContact O-NE 3.34Å; T334-R340 PolarHBondContact O-NH2 2.68Å
335G84.7Confident92.7Very high59 Ų5948.8 Ų48.861%0.60826%0.257SS*.SBendtrans87-172-179.500000114.3E337G335-E337 PolarHBondContact O-N 3.23Å
336A88.1Confident92.7Very high39 Ų3946.3 Ų46.332%0.32225%0.247SC..  trans-61.1126.7-174.400000112.7E338 I339 R340A336-E338 VanDerWaalsContact C-N 3.33Å; A336-E338 WeakPolarHBondContact CB-OE1 3.21Å; A336-E338 PolarHBondContact O-N 2.95Å; A336-I339 HydrophobicContact CB-CD1 4.21Å; A336-I339 HydrophobicContact CB-CG1 3.96Å; A336-I339 WeakPolarHBondContact O-CG1 3.09Å; A336-I339 PolarHBondContact O-N 3.18Å; A336-R340 VanDerWaalsContact O-CG 3.31Å; A336-R340 WeakPolarHBondContact O-CG 3.37Å
337E90.4Very high92.8Very high107 Ų10742.6 Ų42.650%0.523%0.229SC..G310 helixtrans-71.2-29.3-174.2-174.858.5-157.600112.5G335 I339 R340 R342G335-E337 PolarHBondContact O-N 3.23Å; E337-I339 PolarHBondContact O-N 3.4Å; E337-I339 VanDerWaalsContact O-N 3.12Å; E337-R340 PolarHBondContact O-N 3.39Å; E337-R342 IonicContact OE1-NH1 3.89Å; E337-R342 PolarHBondContact OE1-NH1 2.77Å; E337-R342 IonicContact OE2-CZ 3.2Å; E337-R342 VanDerWaalsContact OE2-CZ 3.25Å; E337-R342 IonicContact OE2-NH1 2.74Å; E337-R342 PolarHBondContact OE2-NH1 3.26Å; E337-R342 IonicContact OE2-NH2 3.97Å; E337-R342 PolarHBondContact OE2-NH2 2.62Å
338E89.3Confident92.9Very high119 Ų11942.6 Ų42.656%0.55623%0.229SC*.G310 helixtrans-67.2-9.4-179.266.4-85.4-163.400114.5R293 A336R293-E338 WeakPolarHBondContact CD-O 3.31Å; R293-E338 VanDerWaalsContact CZ-O 3.24Å; R293-E338 PolarHBondContact NE-O 3.31Å; R293-E338 PolarHBondContact NH1-O 3.24Å; A336-E338 VanDerWaalsContact C-N 3.33Å; A336-E338 WeakPolarHBondContact CB-OE1 3.21Å; A336-E338 PolarHBondContact O-N 2.95Å
339I90.7Very high93Very high49 Ų4942.5 Ų42.525%0.25123%0.229SC..G310 helixtrans-112.610.1174.358.6165.5000112.7V289 A336 E337V289-I339 HydrophobicContact CG1-CB 4Å; V289-I339 HydrophobicContact CG1-CG2 4.04Å; A336-I339 HydrophobicContact CB-CD1 4.21Å; A336-I339 HydrophobicContact CB-CG1 3.96Å; A336-I339 WeakPolarHBondContact O-CG1 3.09Å; A336-I339 PolarHBondContact O-N 3.18Å; E337-I339 PolarHBondContact O-N 3.4Å; E337-I339 VanDerWaalsContact O-N 3.12Å
340R94.7Very high93.1Very high17 Ų1739.7 Ų39.76%0.06422%0.216CC..  trans-99.7145.2-176.8-58.8-65.7175.8-113.21.3113.2E329 M330 K332 T334 A336 E337E329-R340 PolarHBondContact O-NH1 2.98Å; M330-R340 CarbonylContact O-C 3.55Å; M330-R340 WeakPolarHBondContact O-CA 3.32Å; K332-R340 WeakPolarHBondContact O-CD 3.38Å; T334-R340 VanDerWaalsContact O-CZ 3.24Å; T334-R340 PolarHBondContact O-NE 3.34Å; T334-R340 PolarHBondContact O-NH2 2.68Å; A336-R340 VanDerWaalsContact O-CG 3.31Å; A336-R340 WeakPolarHBondContact O-CG 3.37Å; E337-R340 PolarHBondContact O-N 3.39Å
341A95Very high93.2Very high0 Ų039.6 Ų39.60%022%0.215CC..  trans-146.866.2176.500000110.2N296 M330 D343 L344 F346N296-A341 HydrophobicContact CB-CB 3.76Å; N296-A341 WeakPolarHBondContact OD1-CA 3.49Å; N296-A341 PolarHBondContact OD1-O 3Å; M330-A341 HydrophobicContact CB-CB 4.38Å; M330-A341 HydrophobicContact CE-CB 3.7Å; M330-A341 PolarHBondContact O-N 2.96Å; A341-D343 VanDerWaalsContact C-N 3.27Å; A341-D343 PolarHBondContact O-N 3.45Å; A341-L344 HydrophobicContact CB-CB 4.47Å; A341-L344 HydrophobicContact CB-CD1 3.99Å; A341-L344 HydrophobicContact CB-CG 4.21Å; A341-L344 PolarHBondContact O-N 3.34Å; A341-L344 VanDerWaalsContact O-N 3.16Å; A341-F346 HydrophobicContact CB-CZ 4.05Å; A341-F346 WeakPolarHBondContact O-CE2 3.48Å
342R91.8Very high93.5Very high70 Ų7038.4 Ų38.426%0.26421%0.212SC..THydrogen-bonded Turntrans-69.5-20.1-170-61.2-175.9-173.284.2-8.2114.7N296 K332 N333 E337 L344N296-R342 PolarHBondContact OD1-N 2.96Å; K332-R342 PolarHBondContact O-NE 3.48Å; N333-R342 PolarHBondContact O-NH2 2.9Å; E337-R342 IonicContact OE1-NH1 3.89Å; E337-R342 PolarHBondContact OE1-NH1 2.77Å; E337-R342 IonicContact OE2-CZ 3.2Å; E337-R342 VanDerWaalsContact OE2-CZ 3.25Å; E337-R342 IonicContact OE2-NH1 2.74Å; E337-R342 PolarHBondContact OE2-NH1 3.26Å; E337-R342 IonicContact OE2-NH2 3.97Å; E337-R342 PolarHBondContact OE2-NH2 2.62Å; R342-L344 VanDerWaalsContact C-N 3.3Å
343D91.4Very high93.8Very high63 Ų6338 Ų3834%0.33721%0.21SC..THydrogen-bonded Turntrans-83.2-11.1177.9-50.9-84.3000112N296 R300 A341N296-D343 PolarHBondContact ND2-OD2 3.13Å; N296-D343 WeakPolarHBondContact OD1-CA 3.38Å; N296-D343 VanDerWaalsContact OD1-CB 3.32Å; N296-D343 WeakPolarHBondContact OD1-CB 3.06Å; N296-D343 PolarHBondContact OD1-N 2.77Å; N296-D343 PolarHBondContact OD1-OD2 2.67Å; R300-D343 WeakPolarHBondContact CD-OD2 3.36Å; R300-D343 HydrophobicContact CG-CB 3.93Å; R300-D343 VanDerWaalsContact CG-CG 3.4Å; R300-D343 WeakPolarHBondContact CG-OD2 3.32Å; R300-D343 IonicContact NE-OD2 2.75Å; R300-D343 IonicContact NH1-OD2 2.67Å; A341-D343 VanDerWaalsContact C-N 3.27Å; A341-D343 PolarHBondContact O-N 3.45Å
344L94.9Very high94.3Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-88.6152.9169.9-58.4-174.6000111.6L292 F295 N296 A299 F313 M315 R331 A341 R342 F346L292-L344 HydrophobicContact CB-CD1 4.19Å; L292-L344 VanDerWaalsContact O-CD1 3.3Å; L292-L344 WeakPolarHBondContact O-CD1 3.3Å; F295-L344 HydrophobicContact CB-CD1 4.21Å; F295-L344 HydrophobicContact CB-CD2 4.49Å; N296-L344 HydrophobicContact CB-CD1 4.12Å; N296-L344 HydrophobicContact CB-CD2 4.49Å; N296-L344 HydrophobicContact CB-CG 3.93Å; N296-L344 PolarHBondContact OD1-N 3.4Å; A299-L344 HydrophobicContact CB-CD2 4.22Å; F313-L344 HydrophobicContact CB-CD2 3.86Å; F313-L344 HydrophobicContact CD2-CD2 3.96Å; F313-L344 HydrophobicContact CG-CD2 4.29Å; M315-L344 HydrophobicContact CE-CD2 4.45Å; M315-L344 HydrophobicContact CG-CD1 3.98Å; R331-L344 PolarHBondContact NE-O 3.41Å; A341-L344 HydrophobicContact CB-CB 4.47Å; A341-L344 HydrophobicContact CB-CD1 3.99Å; A341-L344 HydrophobicContact CB-CG 4.21Å; A341-L344 PolarHBondContact O-N 3.34Å; A341-L344 VanDerWaalsContact O-N 3.16Å; R342-L344 VanDerWaalsContact C-N 3.3Å; L344-F346 HydrophobicContact CB-CE2 3.83Å; L344-F346 HydrophobicContact CB-CZ 3.81Å; L344-F346 HydrophobicContact CD1-CZ 4.33Å
345F96.3Very high94.9Very high37 Ų3727.7 Ų27.716%0.16215%0.151CC..EExtended strand (participates in β ladder)trans-103.3147.4168.2-60.1-102.2000108.2A312 F313 A314 M315 R331 F420 L444 Y760A312-F345 HydrophobicContact CB-CE2 4.48Å; F313-F345 PolarHBondContact O-N 2.99Å; A314-F345 CarbonylContact C-O 3.57Å; A314-F345 WeakPolarHBondContact CA-O 3.37Å; A314-F345 HydrophobicContact CB-CB 4.12Å; M315-F345 PolarHBondContact N-O 2.92Å; R331-F345 VanDerWaalsContact NH1-CE1 3.3Å; R331-F345 VanDerWaalsContact NH2-CZ 3.26Å; F345-F420 HydrophobicContact CB-CE2 4.15Å; F345-F420 HydrophobicContact CB-CZ 3.92Å; F345-F420 HydrophobicContact CD1-CE1 4.44Å; F345-F420 AromaticContact CD1-CZ 3.77Å; F345-F420 HydrophobicContact CD1-CZ 3.77Å; F345-F420 HydrophobicContact CG-CZ 4.23Å; F345-L444 HydrophobicContact CB-CD1 3.85Å; F345-L444 HydrophobicContact CD1-CD1 3.98Å; F345-L444 HydrophobicContact CD2-CD1 3.56Å; F345-L444 HydrophobicContact CE2-CD1 4.12Å; F345-L444 HydrophobicContact CG-CD1 3.51Å; F345-Y760 HydrophobicContact CD1-CE1 4.29Å; F345-Y760 WeakPolarHBondContact CD1-OH 3.43Å; F345-Y760 HydrophobicContact CE1-CE1 4.36Å; F345-Y760 WeakPolarHBondContact CE1-OH 3.39Å
346F97.9Very high95.6Very high1 Ų129.2 Ų29.20%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-124.4135.8-175.2-64.3-90.7000109.5L292 M315 F327 M330 R331 A341 L344 P419 F420L292-F346 HydrophobicContact CD1-CE1 4.17Å; M315-F346 HydrophobicContact CB-CD1 4.35Å; F327-F346 HydrophobicContact CD1-CD1 4.15Å; F327-F346 AromaticContact CD2-CD1 3.81Å; F327-F346 HydrophobicContact CD2-CD1 3.81Å; F327-F346 HydrophobicContact CD2-CE1 4.09Å; F327-F346 HydrophobicContact CE1-CB 4.02Å; F327-F346 AromaticContact CE1-CD1 3.89Å; F327-F346 HydrophobicContact CE1-CD1 3.89Å; F327-F346 HydrophobicContact CE1-CG 4.46Å; F327-F346 AromaticContact CE2-CD1 3.55Å; F327-F346 HydrophobicContact CE2-CD1 3.55Å; F327-F346 HydrophobicContact CE2-CE1 4.02Å; F327-F346 HydrophobicContact CG-CD1 4.12Å; F327-F346 HydrophobicContact CZ-CB 4.24Å; F327-F346 AromaticContact CZ-CD1 3.6Å; F327-F346 HydrophobicContact CZ-CD1 3.6Å; F327-F346 HydrophobicContact CZ-CE1 4.49Å; F327-F346 HydrophobicContact CZ-CG 4.41Å; F327-F346 WeakPolarHBondContact O-CD1 3.46Å; M330-F346 HydrophobicContact CB-CE1 3.82Å; M330-F346 HydrophobicContact CB-CE2 3.89Å; M330-F346 HydrophobicContact CB-CZ 3.39Å; M330-F346 HydrophobicContact CG-CE1 4.2Å; M330-F346 HydrophobicContact CG-CZ 4.2Å; M330-F346 HydrophobicContact SD-CE1 3.8Å; M330-F346 HydrophobicContact SD-CZ 4.07Å; R331-F346 HydrophobicContact CB-CD2 3.92Å; R331-F346 HydrophobicContact CB-CE2 4Å; A341-F346 HydrophobicContact CB-CZ 4.05Å; A341-F346 WeakPolarHBondContact O-CE2 3.48Å; L344-F346 HydrophobicContact CB-CE2 3.83Å; L344-F346 HydrophobicContact CB-CZ 3.81Å; L344-F346 HydrophobicContact CD1-CZ 4.33Å; F346-P419 HydrophobicContact CB-CB 4.48Å; F346-P419 CarbonylContact O-C 3.57Å; F346-P419 WeakPolarHBondContact O-CA 3.49Å; F346-P419 WeakPolarHBondContact O-CB 3.3Å; F346-F420 PolarHBondContact O-N 3.35Å
347A98.5Very high96.1Very high0 Ų028.8 Ų28.80%013%0.129CC..EExtended strand (participates in β ladder)trans-137.5142.2-176.200000110.2M315 Y316 L317 F420M315-A347 PolarHBondContact O-N 3.45Å; Y316-A347 WeakPolarHBondContact CA-O 3.45Å; Y316-A347 HydrophobicContact CD1-CB 3.45Å; Y316-A347 VanDerWaalsContact CD1-CB 3.45Å; Y316-A347 HydrophobicContact CD2-CB 4.13Å; Y316-A347 HydrophobicContact CE1-CB 3.31Å; Y316-A347 HydrophobicContact CE2-CB 4.02Å; Y316-A347 HydrophobicContact CG-CB 3.86Å; L317-A347 PolarHBondContact N-O 3.09Å; A347-F420 HydrophobicContact CB-CB 3.74Å; A347-F420 HydrophobicContact CB-CD2 3.91Å; A347-F420 HydrophobicContact CB-CG 4.13Å
348L98.8Very high96.5Very high0 Ų023.7 Ų23.70%011%0.105CC..EExtended strand (participates in β ladder)trans-100.8131.2172.6-65.9178000110.2L317 V324 F327 I328 I350 I409 P419 F420 M421 L422L317-L348 VanDerWaalsContact O-CA 3.32Å; L317-L348 WeakPolarHBondContact O-CA 3.48Å; V324-L348 HydrophobicContact CG2-CD2 4.06Å; F327-L348 HydrophobicContact CD1-CD2 4.42Å; F327-L348 HydrophobicContact CE1-CD2 4.3Å; I328-L348 HydrophobicContact CG2-CD1 4.3Å; I328-L348 HydrophobicContact CG2-CD2 4.13Å; I328-L348 HydrophobicContact CG2-CG 4.43Å; L348-I350 HydrophobicContact CB-CD1 4.02Å; L348-I350 HydrophobicContact CB-CG1 3.77Å; L348-I409 HydrophobicContact CD1-CD1 3.4Å; L348-I409 VanDerWaalsContact CD1-CD1 3.4Å; L348-I409 HydrophobicContact CD1-CG1 3.63Å; L348-I409 HydrophobicContact CD1-CG2 4.26Å; L348-P419 HydrophobicContact CD1-CB 4.47Å; L348-P419 HydrophobicContact CD1-CG 3.76Å; L348-P419 HydrophobicContact CG-CB 4.07Å; L348-P419 HydrophobicContact CG-CG 3.89Å; L348-F420 PolarHBondContact N-O 3.21Å; L348-M421 HydrophobicContact CB-SD 4.31Å; L348-M421 HydrophobicContact CD1-SD 4.1Å; L348-L422 PolarHBondContact O-N 3.32Å; L348-L422 VanDerWaalsContact O-N 3.11Å
349W98.7Very high96.8Very high0 Ų021.4 Ų21.40%09%0.094CC..EExtended strand (participates in β ladder)trans-103.899.1174.8-163.1-110.6000108.6Y316 L317 E318 P319 L422 K424 C427 I439 C441 V449Y316-W349 AromaticContact CD1-CE3 3.9Å; Y316-W349 HydrophobicContact CD1-CE3 3.9Å; Y316-W349 HydrophobicContact CE1-CE3 4.07Å; Y316-W349 HydrophobicContact CE1-CZ3 4.38Å; L317-W349 PolarHBondContact O-N 3.32Å; E318-W349 WeakPolarHBondContact CA-O 3.34Å; E318-W349 HydrophobicContact CG-CB 4.14Å; E318-W349 WeakPolarHBondContact CG-O 3.4Å; P319-W349 VanDerWaalsContact CD-O 3.29Å; P319-W349 WeakPolarHBondContact CD-O 3.24Å; W349-L422 HydrophobicContact CE3-CB 3.66Å; W349-L422 HydrophobicContact CE3-CD2 4.21Å; W349-L422 HydrophobicContact CE3-CG 4.49Å; W349-L422 HydrophobicContact CZ3-CB 3.68Å; W349-L422 HydrophobicContact CZ3-CD2 3.6Å; W349-L422 HydrophobicContact CZ3-CG 4.27Å; W349-K424 HydrophobicContact CG-CB 4.19Å; W349-C427 HydrophobicContact CH2-CB 3.63Å; W349-C427 WeakPolarHBondContact CH2-SG 3.4Å; W349-C427 HydrophobicContact CZ2-CB 3.62Å; W349-I439 HydrophobicContact CH2-CG2 4.21Å; W349-I439 HydrophobicContact CZ2-CB 4.48Å; W349-I439 HydrophobicContact CZ2-CG2 3.93Å; W349-I439 WeakPolarHBondContact CZ2-O 3.26Å; W349-I439 PolarHBondContact NE1-O 3.42Å; W349-C441 VanDerWaalsContact CZ3-C 3.5Å; W349-V449 HydrophobicContact CH2-CG1 4.24Å; W349-V449 HydrophobicContact CH2-CG2 4.47Å
350I98.8Very high97.1Very high0 Ų022.7 Ų22.70%011%0.107CC..EExtended strand (participates in β ladder)trans-103.8117.4-155.1-60.1168.8000111.1L348 F354 M355 M421 L422 Y423 K424L348-I350 HydrophobicContact CB-CD1 4.02Å; L348-I350 HydrophobicContact CB-CG1 3.77Å; I350-F354 HydrophobicContact CG2-CB 4.2Å; I350-F354 HydrophobicContact CG2-CD1 3.73Å; I350-F354 HydrophobicContact CG2-CG 4.43Å; I350-M355 HydrophobicContact CG2-CG 3.79Å; I350-M355 HydrophobicContact CG2-SD 3.8Å; I350-M421 HydrophobicContact CD1-CB 4.26Å; I350-M421 HydrophobicContact CD1-CE 3.19Å; I350-M421 HydrophobicContact CD1-SD 3.7Å; I350-L422 WeakPolarHBondContact CB-O 3.22Å; I350-L422 PolarHBondContact N-O 3.38Å; I350-Y423 HydrophobicContact CB-CD1 4.3Å; I350-Y423 HydrophobicContact CG2-CD1 4.44Å; I350-Y423 CarbonylContact O-C 3.53Å; I350-Y423 WeakPolarHBondContact O-CA 3.41Å; I350-K424 WeakPolarHBondContact O-CB 3.37Å; I350-K424 PolarHBondContact O-N 2.76Å
351P98.8Very high97.1Very high0 Ų025.3 Ų25.30%012%0.123CC..  trans-70.3150171.229.3-33.3000111.4L353 F354 W364 F383 K424P351-L353 PolarHBondContact O-N 2.99Å; P351-F354 HydrophobicContact CG-CB 4.11Å; P351-F354 PolarHBondContact O-N 3Å; P351-F354 VanDerWaalsContact O-N 3.1Å; P351-W364 HydrophobicContact CG-CH2 4.26Å; P351-F383 HydrophobicContact CB-CD1 3.8Å; P351-F383 HydrophobicContact CB-CE1 3.52Å; P351-F383 HydrophobicContact CB-CZ 4Å; P351-F383 HydrophobicContact CG-CD1 4.44Å; P351-F383 HydrophobicContact CG-CE1 3.66Å; P351-F383 HydrophobicContact CG-CZ 3.82Å; P351-K424 HydrophobicContact CB-CD 4.48Å
352D98.8Very high97.3Very high15 Ų1528.5 Ų28.58%0.0814%0.14CC..Hα-helixtrans-61.3-29.3179.6-71.4-27.3000111F354 M355 R356 D425 R429 W750D352-F354 VanDerWaalsContact C-N 3.34Å; D352-F354 PolarHBondContact O-N 2.63Å; D352-M355 PolarHBondContact O-N 2.83Å; D352-R356 VanDerWaalsContact CB-NH1 3.35Å; D352-R356 WeakPolarHBondContact O-CG 3.34Å; D352-R356 PolarHBondContact O-N 3.48Å; D352-D425 HydrophobicContact CB-CB 4.32Å; D352-D425 WeakPolarHBondContact CB-OD2 3.45Å; D352-D425 VanDerWaalsContact CG-CB 3.48Å; D352-D425 VanDerWaalsContact CG-OD2 3.27Å; D352-D425 PolarHBondContact N-OD2 3.01Å; D352-D425 WeakPolarHBondContact OD2-CB 3.4Å; D352-R429 IonicContact OD2-CZ 2.72Å; D352-R429 IonicContact OD2-NH1 2.74Å; D352-R429 PolarHBondContact OD2-NH1 2.96Å; D352-R429 VanDerWaalsContact OD2-NH1 3.07Å; D352-R429 IonicContact OD2-NH2 3.13Å; D352-W750 HydrophobicContact CB-CZ2 4.4Å; D352-W750 PolarHBondContact OD1-NE1 2.91Å
353L98.8Very high97.6Very high5 Ų531.6 Ų31.63%0.02616%0.155CC..Hα-helixtrans-57.6-42.9175-173.664000112.9P351 M355 R356 R357 W364 F383 D384 Y387P351-L353 PolarHBondContact O-N 2.99Å; L353-M355 VanDerWaalsContact C-N 3.33Å; L353-M355 PolarHBondContact O-N 3.46Å; L353-R356 PolarHBondContact O-N 2.85Å; L353-R357 HydrophobicContact CD1-CG 4.29Å; L353-R357 HydrophobicContact CG-CG 4.28Å; L353-R357 WeakPolarHBondContact O-CB 3.5Å; L353-R357 WeakPolarHBondContact O-CG 3.24Å; L353-R357 PolarHBondContact O-N 2.74Å; L353-W364 HydrophobicContact CD2-CZ3 4.21Å; L353-W364 HydrophobicContact CG-CZ3 4.05Å; L353-F383 HydrophobicContact CB-CE1 4.4Å; L353-F383 HydrophobicContact CD2-CE1 4.26Å; L353-D384 WeakPolarHBondContact CB-OD1 3.37Å; L353-Y387 HydrophobicContact CD2-CD1 3.47Å; L353-Y387 VanDerWaalsContact CD2-CD1 3.47Å; L353-Y387 HydrophobicContact CD2-CE1 4.01Å; L353-Y387 HydrophobicContact CD2-CG 3.98Å
354F98.8Very high97.9Very high0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-61.1-46178.2177-112.6000110.7P319 I350 P351 D352 R356 R357 V358 W364 L405 W406 I409P319-F354 HydrophobicContact CB-CD1 4.25Å; P319-F354 HydrophobicContact CB-CD2 4.25Å; P319-F354 HydrophobicContact CB-CE1 4.28Å; P319-F354 HydrophobicContact CB-CE2 4.31Å; P319-F354 HydrophobicContact CB-CG 4.21Å; P319-F354 HydrophobicContact CB-CZ 4.31Å; P319-F354 HydrophobicContact CG-CB 4.03Å; P319-F354 HydrophobicContact CG-CD1 3.92Å; P319-F354 HydrophobicContact CG-CD2 4.24Å; P319-F354 HydrophobicContact CG-CE1 4.43Å; P319-F354 HydrophobicContact CG-CG 3.78Å; I350-F354 HydrophobicContact CG2-CB 4.2Å; I350-F354 HydrophobicContact CG2-CD1 3.73Å; I350-F354 HydrophobicContact CG2-CG 4.43Å; P351-F354 HydrophobicContact CG-CB 4.11Å; P351-F354 PolarHBondContact O-N 3Å; P351-F354 VanDerWaalsContact O-N 3.1Å; D352-F354 VanDerWaalsContact C-N 3.34Å; D352-F354 PolarHBondContact O-N 2.63Å; F354-R356 VanDerWaalsContact C-N 3.34Å; F354-R356 PolarHBondContact O-N 3.4Å; F354-R357 PolarHBondContact O-N 3.01Å; F354-V358 HydrophobicContact CD1-CG2 4.32Å; F354-V358 HydrophobicContact CD2-CG2 4.21Å; F354-V358 HydrophobicContact CE1-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CG2 3.79Å; F354-V358 HydrophobicContact CG-CG2 4.48Å; F354-V358 HydrophobicContact CZ-CG2 3.65Å; F354-V358 WeakPolarHBondContact O-CG2 3.25Å; F354-V358 PolarHBondContact O-N 3.07Å; F354-W364 HydrophobicContact CB-CH2 3.61Å; F354-W364 HydrophobicContact CB-CZ2 3.85Å; F354-W364 HydrophobicContact CB-CZ3 4Å; F354-W364 AromaticContact CD2-CD2 3.62Å; F354-W364 HydrophobicContact CD2-CD2 3.62Å; F354-W364 AromaticContact CD2-CE2 3.47Å; F354-W364 VanDerWaalsContact CD2-CE2 3.47Å; F354-W364 AromaticContact CD2-CE3 4Å; F354-W364 HydrophobicContact CD2-CE3 4Å; F354-W364 HydrophobicContact CD2-CG 4.09Å; F354-W364 HydrophobicContact CD2-CH2 4.13Å; F354-W364 AromaticContact CD2-CZ2 3.74Å; F354-W364 HydrophobicContact CD2-CZ2 3.74Å; F354-W364 HydrophobicContact CD2-CZ3 4.24Å; F354-W364 AromaticContact CD2-NE1 3.83Å; F354-W364 HydrophobicContact CE2-CD2 4.24Å; F354-W364 HydrophobicContact CE2-CG 4.23Å; F354-W364 HydrophobicContact CG-CH2 4.35Å; F354-W364 HydrophobicContact CG-CZ2 4.17Å; F354-L405 HydrophobicContact CE2-CB 4.43Å; F354-L405 HydrophobicContact CE2-CD2 3.84Å; F354-L405 HydrophobicContact CE2-CG 4.32Å; F354-L405 HydrophobicContact CZ-CB 4.4Å; F354-L405 HydrophobicContact CZ-CD2 3.97Å; F354-L405 HydrophobicContact CZ-CG 4.08Å; F354-W406 AromaticContact CE1-CE3 3.81Å; F354-W406 HydrophobicContact CE1-CE3 3.81Å; F354-W406 HydrophobicContact CE1-CZ3 4.13Å; F354-W406 HydrophobicContact CZ-CE3 4.26Å; F354-I409 HydrophobicContact CE1-CD1 4.13Å; F354-I409 HydrophobicContact CZ-CD1 4.1Å
355M98.7Very high98.1Very high0 Ų028.9 Ų28.90%014%0.141CC..Hα-helixtrans-59.8-45.1178.3-62.8-57.3-65.100111.3I350 D352 L353 R357 V358 E359 W406 Y423 F747 W750I350-M355 HydrophobicContact CG2-CG 3.79Å; I350-M355 HydrophobicContact CG2-SD 3.8Å; D352-M355 PolarHBondContact O-N 2.83Å; L353-M355 VanDerWaalsContact C-N 3.33Å; L353-M355 PolarHBondContact O-N 3.46Å; M355-R357 PolarHBondContact O-N 3.38Å; M355-V358 PolarHBondContact O-N 3.39Å; M355-E359 WeakPolarHBondContact O-CB 3.38Å; M355-E359 PolarHBondContact O-N 2.85Å; M355-W406 HydrophobicContact CE-CH2 3.95Å; M355-W406 HydrophobicContact CE-CZ3 4.18Å; M355-W406 HydrophobicContact SD-CH2 4.26Å; M355-W406 HydrophobicContact SD-CZ3 3.91Å; M355-Y423 HydrophobicContact CE-CE1 4.14Å; M355-Y423 HydrophobicContact CG-CD1 4.45Å; M355-Y423 HydrophobicContact CG-CE1 4.35Å; M355-Y423 HydrophobicContact SD-CE1 4.06Å; M355-F747 HydrophobicContact CE-CD1 4.07Å; M355-F747 HydrophobicContact CE-CD2 4.18Å; M355-F747 HydrophobicContact CE-CE1 3.82Å; M355-F747 HydrophobicContact CE-CE2 3.97Å; M355-F747 HydrophobicContact CE-CG 4.23Å; M355-F747 HydrophobicContact CE-CZ 3.78Å; M355-F747 WeakPolarHBondContact O-CE1 3.5Å; M355-W750 HydrophobicContact CB-CD2 3.71Å; M355-W750 HydrophobicContact CB-CE3 4.09Å; M355-W750 HydrophobicContact CB-CG 4.21Å; M355-W750 HydrophobicContact CB-CH2 4.13Å; M355-W750 HydrophobicContact CB-CZ2 3.74Å; M355-W750 HydrophobicContact CB-CZ3 4.29Å; M355-W750 HydrophobicContact CE-CB 4.01Å; M355-W750 HydrophobicContact CE-CD2 4.31Å; M355-W750 HydrophobicContact CE-CE3 4.49Å; M355-W750 HydrophobicContact CE-CG 4.08Å; M355-W750 HydrophobicContact CG-CD2 4.05Å; M355-W750 HydrophobicContact CG-CG 4Å
356R98.5Very high98.2Very high91 Ų9127.1 Ų27.134%0.34313%0.133SC..Hα-helixtrans-61.1-42.7175.2-68.5-170.6-54.1-953.7112.3D352 L353 F354 E359 S360 D384 W750D352-R356 VanDerWaalsContact CB-NH1 3.35Å; D352-R356 WeakPolarHBondContact O-CG 3.34Å; D352-R356 PolarHBondContact O-N 3.48Å; L353-R356 PolarHBondContact O-N 2.85Å; F354-R356 VanDerWaalsContact C-N 3.34Å; F354-R356 PolarHBondContact O-N 3.4Å; R356-E359 PolarHBondContact O-N 2.86Å; R356-S360 PolarHBondContact O-N 2.96Å; R356-S360 PolarHBondContact O-OG 2.88Å; R356-D384 IonicContact CZ-OD2 3.74Å; R356-D384 IonicContact NH1-OD2 2.83Å; R356-D384 VanDerWaalsContact NH2-CG 3.34Å; R356-D384 IonicContact NH2-OD1 3.44Å; R356-D384 IonicContact NH2-OD2 3.78Å; R356-D384 PolarHBondContact NH2-OD2 3.16Å; R356-W750 HydrophobicContact CG-CH2 3.78Å; R356-W750 HydrophobicContact CG-CZ2 3.98Å
357R98.4Very high98.2Very high31 Ų3127.1 Ų27.112%0.11713%0.133CC..Hα-helixtrans-67.2-34.3179.2-66.4-72.3-171.8130.511.4112.4L353 F354 M355 S360 N361 D362 K363 W364 E388 E391 A402L353-R357 HydrophobicContact CD1-CG 4.29Å; L353-R357 HydrophobicContact CG-CG 4.28Å; L353-R357 WeakPolarHBondContact O-CB 3.5Å; L353-R357 WeakPolarHBondContact O-CG 3.24Å; L353-R357 PolarHBondContact O-N 2.74Å; F354-R357 PolarHBondContact O-N 3.01Å; M355-R357 PolarHBondContact O-N 3.38Å; R357-S360 PolarHBondContact O-OG 3.35Å; R357-N361 PolarHBondContact O-N 3.17Å; R357-D362 HydrophobicContact CB-CB 4.46Å; R357-D362 WeakPolarHBondContact CD-OD2 3.49Å; R357-D362 IonicContact CZ-OD2 2.78Å; R357-D362 IonicContact NE-OD2 3.45Å; R357-D362 PolarHBondContact NE-OD2 3.29Å; R357-D362 IonicContact NH1-OD1 2.66Å; R357-D362 IonicContact NH1-OD2 3.7Å; R357-D362 PolarHBondContact NH1-OD2 2.94Å; R357-D362 PolarHBondContact O-N 3.11Å; R357-K363 PolarHBondContact NH1-O 2.78Å; R357-W364 HydrophobicContact CB-CE3 4.13Å; R357-W364 HydrophobicContact CG-CE3 4.01Å; R357-W364 HydrophobicContact CG-CZ3 4.19Å; R357-E388 IonicContact NH2-OE1 2.83Å; R357-E391 IonicContact CZ-OE2 3.52Å; R357-E391 IonicContact NH2-OE2 3.32Å; R357-E391 PolarHBondContact NH2-OE2 3.44Å; R357-A402 VanDerWaalsContact C-CB 3.48Å; R357-A402 HydrophobicContact CB-CB 3.86Å; R357-A402 WeakPolarHBondContact O-CB 3.41Å
358V98.2Very high98.2Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-67.6-45.5172.41730000110.8F354 M355 S360 N361 A402 Q403 W406 F747F354-V358 HydrophobicContact CD1-CG2 4.32Å; F354-V358 HydrophobicContact CD2-CG2 4.21Å; F354-V358 HydrophobicContact CE1-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CG2 3.79Å; F354-V358 HydrophobicContact CG-CG2 4.48Å; F354-V358 HydrophobicContact CZ-CG2 3.65Å; F354-V358 WeakPolarHBondContact O-CG2 3.25Å; F354-V358 PolarHBondContact O-N 3.07Å; M355-V358 PolarHBondContact O-N 3.39Å; V358-S360 PolarHBondContact O-N 2.97Å; V358-N361 PolarHBondContact O-N 3.31Å; V358-A402 HydrophobicContact CB-CB 4.38Å; V358-A402 HydrophobicContact CG2-CB 3.74Å; V358-Q403 HydrophobicContact CG1-CG 4.2Å; V358-Q403 WeakPolarHBondContact O-CG 3.28Å; V358-Q403 PolarHBondContact O-NE2 2.96Å; V358-W406 HydrophobicContact CG1-CB 3.86Å; V358-W406 HydrophobicContact CG1-CD2 3.82Å; V358-W406 HydrophobicContact CG1-CE3 4.22Å; V358-W406 HydrophobicContact CG1-CG 3.63Å; V358-W406 HydrophobicContact CG2-CB 4.08Å; V358-W406 HydrophobicContact CG2-CD2 4.46Å; V358-W406 HydrophobicContact CG2-CE3 4.17Å; V358-W406 HydrophobicContact CG2-CG 4.44Å; V358-F747 HydrophobicContact CB-CZ 3.84Å; V358-F747 HydrophobicContact CG1-CE2 3.83Å; V358-F747 HydrophobicContact CG1-CZ 3.53Å
359E96.9Very high98.1Very high70 Ų7027.6 Ų27.633%0.32714%0.137SC..Hα-helixtrans-59.8-43.7178.7-168.9172.4-120.300112.2M355 R356 N361 F747 R751M355-E359 WeakPolarHBondContact O-CB 3.38Å; M355-E359 PolarHBondContact O-N 2.85Å; R356-E359 PolarHBondContact O-N 2.86Å; E359-N361 VanDerWaalsContact C-N 3.3Å; E359-N361 PolarHBondContact O-N 3.04Å; E359-F747 HydrophobicContact CB-CE1 3.77Å; E359-F747 HydrophobicContact CB-CZ 4.39Å; E359-F747 HydrophobicContact CG-CE1 4.36Å; E359-R751 IonicContact OE1-CZ 3.8Å; E359-R751 VanDerWaalsContact OE1-CZ 3.24Å; E359-R751 IonicContact OE1-NE 3.78Å; E359-R751 PolarHBondContact OE1-NE 3.35Å; E359-R751 VanDerWaalsContact OE1-NE 3.13Å; E359-R751 IonicContact OE1-NH2 3.3Å; E359-R751 PolarHBondContact OE1-NH2 3.45Å
360S96.9Very high98Very high76 Ų7632.3 Ų32.353%0.53116%0.158SC..THydrogen-bonded Turntrans-83.70.7179.463.30000114.6R356 R357 V358 D362R356-S360 PolarHBondContact O-N 2.96Å; R356-S360 PolarHBondContact O-OG 2.88Å; R357-S360 PolarHBondContact O-OG 3.35Å; V358-S360 PolarHBondContact O-N 2.97Å; S360-D362 PolarHBondContact O-N 3.49Å; S360-D362 WeakPolarHBondContact OG-CB 3.3Å
361N95.2Very high97.9Very high73 Ų7335.3 Ų35.339%0.3917%0.172SC..THydrogen-bonded Turntrans5239.3-173.5-165.618.6000113.4R357 V358 E359 Q403R357-N361 PolarHBondContact O-N 3.17Å; V358-N361 PolarHBondContact O-N 3.31Å; E359-N361 VanDerWaalsContact C-N 3.3Å; E359-N361 PolarHBondContact O-N 3.04Å; N361-Q403 HydrophobicContact CB-CG 4.44Å; N361-Q403 VanDerWaalsContact OD1-CD 3.26Å; N361-Q403 PolarHBondContact OD1-OE1 3.06Å
362D97.8Very high97.8Very high66 Ų6635.3 Ų35.335%0.35317%0.172SC..  trans-91.4174-176.7-163.97.5000111.4R357 S360 A402R357-D362 HydrophobicContact CB-CB 4.46Å; R357-D362 WeakPolarHBondContact CD-OD2 3.49Å; R357-D362 IonicContact CZ-OD2 2.78Å; R357-D362 IonicContact NE-OD2 3.45Å; R357-D362 PolarHBondContact NE-OD2 3.29Å; R357-D362 IonicContact NH1-OD1 2.66Å; R357-D362 IonicContact NH1-OD2 3.7Å; R357-D362 PolarHBondContact NH1-OD2 2.94Å; R357-D362 PolarHBondContact O-N 3.11Å; S360-D362 PolarHBondContact O-N 3.49Å; S360-D362 WeakPolarHBondContact OG-CB 3.3Å; D362-A402 WeakPolarHBondContact O-CB 3.16Å; D362-A402 PolarHBondContact O-N 2.89Å
363K98.2Very high97.7Very high136 Ų13637.8 Ų37.859%0.59119%0.189SC*.EExtended strand (participates in β ladder)trans-69.3143.9176.2-67.3-179.3-178-179.30111.2R357 T399 V400R357-K363 PolarHBondContact NH1-O 2.78Å; K363-T399 HydrophobicContact CB-CG2 3.72Å; K363-T399 HydrophobicContact CD-CG2 4.05Å; K363-T399 HydrophobicContact CG-CG2 4.14Å; K363-V400 WeakPolarHBondContact CA-O 3.35Å
364W98.6Very high97.6Very high0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-127.5120.2173-171.4-112.8000109.6P319 W320 P351 L353 F354 R357 Y387 T399 V400 A402P319-W364 HydrophobicContact CG-CZ2 4.26Å; P319-W364 PolarHBondContact O-NE1 3.45Å; W320-W364 HydrophobicContact CB-CZ2 3.75Å; P351-W364 HydrophobicContact CG-CH2 4.26Å; L353-W364 HydrophobicContact CD2-CZ3 4.21Å; L353-W364 HydrophobicContact CG-CZ3 4.05Å; F354-W364 HydrophobicContact CB-CH2 3.61Å; F354-W364 HydrophobicContact CB-CZ2 3.85Å; F354-W364 HydrophobicContact CB-CZ3 4Å; F354-W364 AromaticContact CD2-CD2 3.62Å; F354-W364 HydrophobicContact CD2-CD2 3.62Å; F354-W364 AromaticContact CD2-CE2 3.47Å; F354-W364 VanDerWaalsContact CD2-CE2 3.47Å; F354-W364 AromaticContact CD2-CE3 4Å; F354-W364 HydrophobicContact CD2-CE3 4Å; F354-W364 HydrophobicContact CD2-CG 4.09Å; F354-W364 HydrophobicContact CD2-CH2 4.13Å; F354-W364 AromaticContact CD2-CZ2 3.74Å; F354-W364 HydrophobicContact CD2-CZ2 3.74Å; F354-W364 HydrophobicContact CD2-CZ3 4.24Å; F354-W364 AromaticContact CD2-NE1 3.83Å; F354-W364 HydrophobicContact CE2-CD2 4.24Å; F354-W364 HydrophobicContact CE2-CG 4.23Å; F354-W364 HydrophobicContact CG-CH2 4.35Å; F354-W364 HydrophobicContact CG-CZ2 4.17Å; R357-W364 HydrophobicContact CB-CE3 4.13Å; R357-W364 HydrophobicContact CG-CE3 4.01Å; R357-W364 HydrophobicContact CG-CZ3 4.19Å; W364-Y387 HydrophobicContact CE3-CE1 4.28Å; W364-Y387 AromaticContact CE3-CZ 3.97Å; W364-Y387 HydrophobicContact CH2-CE1 4.45Å; W364-Y387 HydrophobicContact CH2-CE2 4.15Å; W364-Y387 AromaticContact CH2-CZ 3.95Å; W364-Y387 HydrophobicContact CZ2-CE2 4.3Å; W364-Y387 AromaticContact CZ3-CE1 3.99Å; W364-Y387 HydrophobicContact CZ3-CE1 3.99Å; W364-Y387 HydrophobicContact CZ3-CE2 4.44Å; W364-Y387 AromaticContact CZ3-CZ 3.8Å; W364-T399 WeakPolarHBondContact O-CA 3.26Å; W364-V400 HydrophobicContact CB-CG2 4.36Å; W364-V400 PolarHBondContact N-O 2.92Å; W364-V400 PolarHBondContact O-N 2.98Å; W364-A402 HydrophobicContact CB-CB 3.88Å
365T98.7Very high97.6Very high6 Ų638.6 Ų38.64%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-95.2127.6-179.3-58.90000111.1M367 Y387 E391 G396 Q398 T399T365-M367 HydrophobicContact CG2-CE 3.81Å; T365-M367 HydrophobicContact CG2-CG 4.18Å; T365-Y387 WeakPolarHBondContact CA-OH 3.3Å; T365-Y387 PolarHBondContact N-OH 2.85Å; T365-Y387 PolarHBondContact O-OH 3.28Å; T365-E391 VanDerWaalsContact CB-OE1 3.24Å; T365-E391 WeakPolarHBondContact CB-OE1 3.39Å; T365-E391 HydrophobicContact CG2-CG 4.41Å; T365-E391 PolarHBondContact OG1-OE1 2.93Å; T365-G396 VanDerWaalsContact CG2-CA 3.47Å; T365-Q398 CarbonylContact C-O 3.44Å; T365-Q398 WeakPolarHBondContact CA-O 3.42Å; T365-T399 PolarHBondContact OG1-OG1 3Å
366L98.7Very high97.5Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-85.3124.2174.8-56.4-176.6000109.8W320 P322 V324 F325 G396 R397 Q398W320-L366 CarbonylContact O-C 3.54Å; W320-L366 WeakPolarHBondContact O-CA 3.35Å; P322-L366 HydrophobicContact CB-CB 4.33Å; P322-L366 HydrophobicContact CG-CB 4.3Å; V324-L366 HydrophobicContact CG1-CD2 4.1Å; F325-L366 HydrophobicContact CD2-CD1 4.39Å; F325-L366 HydrophobicContact CE2-CD1 4.22Å; L366-G396 CarbonylContact O-C 3.39Å; L366-G396 WeakPolarHBondContact O-CA 3.49Å; L366-R397 PolarHBondContact O-N 2.7Å; L366-Q398 HydrophobicContact CB-CB 4.42Å; L366-Q398 HydrophobicContact CD1-CB 4.3Å; L366-Q398 PolarHBondContact N-O 3.23Å
367M98.2Very high97.4Very high0 Ų038.3 Ų38.30%020%0.202CC..  trans-124.3117.4-168.8-65.4-170-179.400111W320 P322 T365 C372 L375 Y387 Y390 E391W320-M367 HydrophobicContact CE3-CB 4.24Å; W320-M367 VanDerWaalsContact CZ3-O 3.3Å; W320-M367 WeakPolarHBondContact CZ3-O 3.39Å; W320-M367 PolarHBondContact O-N 2.75Å; P322-M367 VanDerWaalsContact CD-O 3.31Å; P322-M367 WeakPolarHBondContact CD-O 3.18Å; T365-M367 HydrophobicContact CG2-CE 3.81Å; T365-M367 HydrophobicContact CG2-CG 4.18Å; M367-C372 HydrophobicContact CB-CB 3.91Å; M367-C372 HydrophobicContact SD-CB 4.35Å; M367-L375 HydrophobicContact CB-CD1 3.98Å; M367-L375 HydrophobicContact SD-CD1 3.79Å; M367-Y387 HydrophobicContact CE-CD1 4.3Å; M367-Y387 HydrophobicContact CE-CD2 3.81Å; M367-Y387 HydrophobicContact CE-CE1 4.21Å; M367-Y387 HydrophobicContact CE-CE2 3.68Å; M367-Y387 HydrophobicContact CE-CG 4.13Å; M367-Y387 WeakPolarHBondContact CE-O 3.46Å; M367-Y387 HydrophobicContact CG-CE2 4.2Å; M367-Y387 HydrophobicContact SD-CD2 3.57Å; M367-Y387 VanDerWaalsContact SD-CD2 3.57Å; M367-Y387 HydrophobicContact SD-CE2 3.68Å; M367-Y387 HydrophobicContact SD-CG 4.3Å; M367-Y390 HydrophobicContact SD-CD2 4.14Å; M367-Y390 HydrophobicContact SD-CG 4.42Å; M367-E391 HydrophobicContact CE-CB 4.38Å; M367-E391 HydrophobicContact CE-CG 3.42Å; M367-E391 VanDerWaalsContact CE-CG 3.42Å
368D97.9Very high97.4Very high0 Ų038.5 Ų38.50%021%0.206CC..  trans-69.8133.3173.9177.7-75.2000110.4S273 T276 P322 H370 E371 C372 R397S273-D368 WeakPolarHBondContact CB-OD2 3.32Å; S273-D368 PolarHBondContact N-OD2 3.48Å; S273-D368 PolarHBondContact OG-OD2 3.32Å; T276-D368 PolarHBondContact OG1-OD2 3.38Å; P322-D368 HydrophobicContact CG-CB 4.16Å; D368-H370 VanDerWaalsContact C-N 3.28Å; D368-H370 PolarHBondContact O-N 3.21Å; D368-H370 VanDerWaalsContact OD1-CA 3.28Å; D368-H370 WeakPolarHBondContact OD1-CA 3.32Å; D368-H370 WeakPolarHBondContact OD1-CB 3.47Å; D368-H370 PolarHBondContact OD1-N 2.98Å; D368-E371 HydrophobicContact CB-CB 4.13Å; D368-E371 HydrophobicContact CB-CG 4.24Å; D368-E371 CarbonylContact O-C 3.53Å; D368-E371 PolarHBondContact O-N 3.32Å; D368-E371 VanDerWaalsContact O-N 3.13Å; D368-E371 PolarHBondContact OD1-N 3.24Å; D368-E371 VanDerWaalsContact OD1-N 3.12Å; D368-C372 WeakPolarHBondContact O-CB 3.41Å; D368-C372 PolarHBondContact O-N 2.83Å; D368-R397 HydrophobicContact CB-CG 4.28Å
369P97.1Very high97.4Very high11 Ų1141.3 Ų41.37%0.07122%0.217CC..THydrogen-bonded Turntrans-67.9-23-17627.4-35.5000114H269 I271 W320 C372 P373H269-P369 WeakPolarHBondContact O-CB 3.2Å; H269-P369 WeakPolarHBondContact O-CG 3.43Å; I271-P369 VanDerWaalsContact O-CG 3.23Å; I271-P369 WeakPolarHBondContact O-CG 3.19Å; W320-P369 HydrophobicContact CH2-CB 4.33Å; W320-P369 HydrophobicContact CZ3-CB 4.29Å; P369-C372 CarbonylContact O-C 3.5Å; P369-P373 VanDerWaalsContact O-CA 3.26Å; P369-P373 WeakPolarHBondContact O-CA 3.43Å
370H95.5Very high97.5Very high99 Ų9938.1 Ų38.146%0.45820%0.203SC..THydrogen-bonded Turntrans-73.1-39.1172.2-173.176.2000110.9R272 T276 D368R272-H370 HydrophobicContact CB-CB 4.13Å; T276-H370 HydrophobicContact CG2-CB 4.05Å; D368-H370 VanDerWaalsContact C-N 3.28Å; D368-H370 PolarHBondContact O-N 3.21Å; D368-H370 VanDerWaalsContact OD1-CA 3.28Å; D368-H370 WeakPolarHBondContact OD1-CA 3.32Å; D368-H370 WeakPolarHBondContact OD1-CB 3.47Å; D368-H370 PolarHBondContact OD1-N 2.98Å
371E96.5Very high97.5Very high63 Ų6342.1 Ų42.129%0.29421%0.213SC..THydrogen-bonded Turntrans-84.8-18.4178.8-64.3172.8170.500113.3D368 R395 R397D368-E371 HydrophobicContact CB-CB 4.13Å; D368-E371 HydrophobicContact CB-CG 4.24Å; D368-E371 CarbonylContact O-C 3.53Å; D368-E371 PolarHBondContact O-N 3.32Å; D368-E371 VanDerWaalsContact O-N 3.13Å; D368-E371 PolarHBondContact OD1-N 3.24Å; D368-E371 VanDerWaalsContact OD1-N 3.12Å; E371-R395 PolarHBondContact O-NE 3.37Å; E371-R395 PolarHBondContact O-NH2 3.1Å; E371-R397 VanDerWaalsContact CD-NE 3.33Å; E371-R397 IonicContact OE1-CZ 3.45Å; E371-R397 IonicContact OE1-NE 3.16Å; E371-R397 PolarHBondContact OE1-NE 2.83Å; E371-R397 IonicContact OE1-NH2 2.7Å; E371-R397 PolarHBondContact OE1-NH2 2.9Å; E371-R397 VanDerWaalsContact OE2-CG 3.26Å; E371-R397 WeakPolarHBondContact OE2-CG 3.43Å; E371-R397 IonicContact OE2-CZ 2.78Å; E371-R397 IonicContact OE2-NE 2.75Å; E371-R397 PolarHBondContact OE2-NE 3.26Å; E371-R397 IonicContact OE2-NH2 3.96Å
372C97.6Very high97.7Very high0 Ų044.1 Ų44.10%022%0.224CC..SBendtrans-136.463.9-178.6-660000110.4M367 D368 P369 L375 Y390M367-C372 HydrophobicContact CB-CB 3.91Å; M367-C372 HydrophobicContact SD-CB 4.35Å; D368-C372 WeakPolarHBondContact O-CB 3.41Å; D368-C372 PolarHBondContact O-N 2.83Å; P369-C372 CarbonylContact O-C 3.5Å; C372-L375 HydrophobicContact CB-CD1 4.03Å; C372-Y390 HydrophobicContact CB-CD2 3.5Å; C372-Y390 HydrophobicContact CB-CE2 3.68Å; C372-Y390 HydrophobicContact CB-CG 4.09Å
373P97Very high97.7Very high66 Ų6641 Ų4143%0.42921%0.207SC..THydrogen-bonded Turntrans-68.8152.6-172.429.8-36.6000112.6P369 Y390P369-P373 VanDerWaalsContact O-CA 3.26Å; P369-P373 WeakPolarHBondContact O-CA 3.43Å; P373-Y390 PolarHBondContact O-OH 3.06Å
374G97.1Very high97.8Very high23 Ų2335.6 Ų35.624%0.23719%0.185CC..THydrogen-bonded Turntrans98.5-15.3175.600000114.9E377 V378G374-E377 WeakPolarHBondContact CA-OE2 3.17Å; G374-E377 PolarHBondContact N-OE2 2.93Å; G374-E377 WeakPolarHBondContact O-CB 3.45Å; G374-E377 PolarHBondContact O-N 3.37Å; G374-E377 VanDerWaalsContact O-N 3.08Å; G374-V378 WeakPolarHBondContact O-CG2 3.35Å
375L97.9Very high97.8Very high0 Ų039.8 Ų39.80%021%0.211CC..G310 helixtrans-61.1-43-179.1-69.9172000113.7W320 M367 C372 E377 F383 L386 Y387 Y390 K424W320-L375 HydrophobicContact CD2-CD1 4.1Å; W320-L375 HydrophobicContact CE3-CD1 4.04Å; W320-L375 HydrophobicContact CH2-CB 4.04Å; W320-L375 HydrophobicContact CZ2-CB 3.69Å; W320-L375 HydrophobicContact CZ3-CD1 4.26Å; M367-L375 HydrophobicContact CB-CD1 3.98Å; M367-L375 HydrophobicContact SD-CD1 3.79Å; C372-L375 HydrophobicContact CB-CD1 4.03Å; L375-E377 PolarHBondContact O-N 2.81Å; L375-F383 HydrophobicContact CB-CE2 4.12Å; L375-F383 HydrophobicContact CD2-CD2 4.16Å; L375-F383 HydrophobicContact CD2-CE2 3.85Å; L375-F383 HydrophobicContact CD2-CZ 4.43Å; L375-L386 HydrophobicContact CD2-CB 4.3Å; L375-L386 HydrophobicContact CD2-CD2 4.09Å; L375-L386 HydrophobicContact CD2-CG 3.98Å; L375-L386 HydrophobicContact CG-CD2 4.47Å; L375-Y387 HydrophobicContact CD1-CD2 4.5Å; L375-Y387 HydrophobicContact CD2-CD2 4.37Å; L375-Y390 HydrophobicContact CD1-CD2 4.27Å; L375-Y390 HydrophobicContact CD2-CD2 4.33Å; L375-Y390 HydrophobicContact CD2-CE2 4.44Å; L375-Y390 HydrophobicContact CG-CD2 4.28Å; L375-Y390 HydrophobicContact CG-CE2 4.18Å; L375-K424 PolarHBondContact O-NZ 3.36Å; L375-K424 VanDerWaalsContact O-NZ 3.08Å
376P96.6Very high97.8Very high3 Ų341.1 Ų41.12%0.01922%0.217CC..G310 helixtrans-64.8-20.9172.8-2233000114.4H269 W320 T438 R440H269-P376 HydrophobicContact CB-CB 4.14Å; H269-P376 HydrophobicContact CB-CG 3.83Å; W320-P376 HydrophobicContact CH2-CG 3.82Å; W320-P376 HydrophobicContact CZ2-CG 3.88Å; P376-T438 WeakPolarHBondContact O-CG2 3.02Å; P376-R440 PolarHBondContact O-NE 3.49Å
377E97Very high97.8Very high82 Ų8241.1 Ų41.138%0.38322%0.217SC..G310 helixtrans-83.1-15.7-175.6-67.757.2-137.200113.4G374 L375 T438 R440G374-E377 WeakPolarHBondContact CA-OE2 3.17Å; G374-E377 PolarHBondContact N-OE2 2.93Å; G374-E377 WeakPolarHBondContact O-CB 3.45Å; G374-E377 PolarHBondContact O-N 3.37Å; G374-E377 VanDerWaalsContact O-N 3.08Å; L375-E377 PolarHBondContact O-N 2.81Å; E377-T438 VanDerWaalsContact C-OG1 3.31Å; E377-T438 WeakPolarHBondContact O-CB 3.47Å; E377-T438 PolarHBondContact O-OG1 2.9Å; E377-R440 VanDerWaalsContact CG-NH2 3.25Å; E377-R440 IonicContact OE1-CZ 3.92Å; E377-R440 VanDerWaalsContact OE1-CZ 3.24Å; E377-R440 IonicContact OE1-NH1 3.12Å; E377-R440 PolarHBondContact OE1-NH1 3Å; E377-R440 VanDerWaalsContact OE1-NH1 3.13Å; E377-R440 IonicContact OE1-NH2 3.26Å; E377-R440 PolarHBondContact OE1-NH2 3.26Å
378V98.2Very high97.8Very high34 Ų3444.4 Ų44.421%0.20623%0.232CC..  trans-124.5160.1-175.8-64.10000112G374 D382 F383 L386 K424G374-V378 WeakPolarHBondContact O-CG2 3.35Å; V378-D382 HydrophobicContact CB-CB 4.01Å; V378-D382 HydrophobicContact CG1-CB 4.21Å; V378-F383 HydrophobicContact CG2-CB 3.91Å; V378-F383 HydrophobicContact CG2-CD2 4.22Å; V378-L386 HydrophobicContact CG2-CD2 3.96Å; V378-K424 WeakPolarHBondContact O-CE 3.42Å; V378-K424 PolarHBondContact O-NZ 3.44Å
379W98.3Very high97.8Very high59 Ų5948.6 Ų48.622%0.22325%0.251CS..  trans-147.1165.4177.262.2-85000110.2K424 N428 R429 T438W379-K424 HydrophobicContact CB-CG 4.25Å; W379-N428 HydrophobicContact CB-CB 4.33Å; W379-N428 HydrophobicContact CD2-CB 3.41Å; W379-N428 VanDerWaalsContact CD2-CB 3.41Å; W379-N428 HydrophobicContact CE3-CB 3.94Å; W379-N428 HydrophobicContact CG-CB 3.58Å; W379-N428 HydrophobicContact CZ2-CB 4.15Å; W379-R429 HydrophobicContact CE3-CB 4.4Å; W379-R429 VanDerWaalsContact CH2-CA 3.42Å; W379-R429 HydrophobicContact CH2-CB 3.77Å; W379-R429 HydrophobicContact CH2-CG 4.14Å; W379-R429 HydrophobicContact CZ3-CB 3.48Å; W379-R429 VanDerWaalsContact CZ3-CB 3.48Å; W379-R429 HydrophobicContact CZ3-CG 3.99Å; W379-T438 HydrophobicContact CB-CG2 4.43Å
380G98.2Very high97.9Very high3 Ų348.8 Ų48.83%0.03125%0.25CS..THydrogen-bonded Turntrans61.2-139.8-178.600000113.2D382 F383 D384 D425G380-D382 VanDerWaalsContact C-N 3.27Å; G380-D382 PolarHBondContact O-N 3.31Å; G380-F383 WeakPolarHBondContact O-CB 3.39Å; G380-F383 PolarHBondContact O-N 2.93Å; G380-D384 PolarHBondContact O-N 2.8Å; G380-D425 PolarHBondContact N-OD1 3.27Å
381E98.4Very high98Very high160 Ų16046.3 Ų46.375%0.74824%0.239SC*.Hα-helixtrans-61.7-32.7-173.9-64.9178.4-171.500113.6F383 D384 T385E381-F383 VanDerWaalsContact C-N 3.34Å; E381-D384 PolarHBondContact O-N 2.73Å; E381-T385 WeakPolarHBondContact O-CB 3.38Å; E381-T385 PolarHBondContact O-N 3.01Å; E381-T385 PolarHBondContact O-OG1 2.68Å
382D98.6Very high98.1Very high116 Ų11651.6 Ų51.662%0.6226%0.256SS*.Hα-helixtrans-67.3-37.7176.2-70.8-23.2000111.3V378 G380 L386V378-D382 HydrophobicContact CB-CB 4.01Å; V378-D382 HydrophobicContact CG1-CB 4.21Å; G380-D382 VanDerWaalsContact C-N 3.27Å; G380-D382 PolarHBondContact O-N 3.31Å; D382-L386 WeakPolarHBondContact O-CB 3.42Å; D382-L386 PolarHBondContact O-N 2.74Å; D382-L386 VanDerWaalsContact O-N 3.11Å
383F98.7Very high98.1Very high0 Ų056.1 Ų56.10%028%0.277CS..Hα-helixtrans-65.6-47.2173175.8-88000111.1W320 P351 L353 L375 V378 G380 E381 T385 L386 Y387W320-F383 AromaticContact CD1-CE2 3.84Å; W320-F383 AromaticContact CD1-CZ 3.48Å; W320-F383 VanDerWaalsContact CD1-CZ 3.48Å; W320-F383 HydrophobicContact CG-CZ 4.41Å; W320-F383 AromaticContact NE1-CE2 3.48Å; W320-F383 AromaticContact NE1-CZ 3.64Å; P351-F383 HydrophobicContact CB-CD1 3.8Å; P351-F383 HydrophobicContact CB-CE1 3.52Å; P351-F383 HydrophobicContact CB-CZ 4Å; P351-F383 HydrophobicContact CG-CD1 4.44Å; P351-F383 HydrophobicContact CG-CE1 3.66Å; P351-F383 HydrophobicContact CG-CZ 3.82Å; L353-F383 HydrophobicContact CB-CE1 4.4Å; L353-F383 HydrophobicContact CD2-CE1 4.26Å; L375-F383 HydrophobicContact CB-CE2 4.12Å; L375-F383 HydrophobicContact CD2-CD2 4.16Å; L375-F383 HydrophobicContact CD2-CE2 3.85Å; L375-F383 HydrophobicContact CD2-CZ 4.43Å; V378-F383 HydrophobicContact CG2-CB 3.91Å; V378-F383 HydrophobicContact CG2-CD2 4.22Å; G380-F383 WeakPolarHBondContact O-CB 3.39Å; G380-F383 PolarHBondContact O-N 2.93Å; E381-F383 VanDerWaalsContact C-N 3.34Å; F383-T385 VanDerWaalsContact C-N 3.32Å; F383-T385 PolarHBondContact O-N 2.91Å; F383-L386 PolarHBondContact O-N 3.24Å; F383-Y387 HydrophobicContact CE1-CD2 4.4Å; F383-Y387 HydrophobicContact CE1-CG 4.38Å; F383-Y387 HydrophobicContact CZ-CD2 4.09Å; F383-Y387 HydrophobicContact CZ-CG 4.47Å; F383-Y387 VanDerWaalsContact O-CB 3.24Å; F383-Y387 WeakPolarHBondContact O-CB 3.14Å; F383-Y387 PolarHBondContact O-N 3.45Å
384D98.8Very high98.1Very high23 Ų2356 Ų5612%0.12329%0.288CS..Hα-helixtrans-58-48.1180-62.9-6.6000110.8L353 R356 G380 E381 L386 Y387 E388L353-D384 WeakPolarHBondContact CB-OD1 3.37Å; R356-D384 IonicContact CZ-OD2 3.74Å; R356-D384 IonicContact NH1-OD2 2.83Å; R356-D384 VanDerWaalsContact NH2-CG 3.34Å; R356-D384 IonicContact NH2-OD1 3.44Å; R356-D384 IonicContact NH2-OD2 3.78Å; R356-D384 PolarHBondContact NH2-OD2 3.16Å; G380-D384 PolarHBondContact O-N 2.8Å; E381-D384 PolarHBondContact O-N 2.73Å; D384-L386 PolarHBondContact O-N 2.89Å; D384-Y387 PolarHBondContact O-N 3.28Å; D384-E388 WeakPolarHBondContact O-CB 3.46Å; D384-E388 VanDerWaalsContact O-CG 3.29Å; D384-E388 WeakPolarHBondContact O-CG 3.13Å; D384-E388 PolarHBondContact O-N 3.43Å
385T98.8Very high98.1Very high88 Ų8859.1 Ų59.154%0.5429%0.292SS..Hα-helixtrans-60.7-44.4179.6-60.30000111.9E381 F383 K389E381-T385 WeakPolarHBondContact O-CB 3.38Å; E381-T385 PolarHBondContact O-N 3.01Å; E381-T385 PolarHBondContact O-OG1 2.68Å; F383-T385 VanDerWaalsContact C-N 3.32Å; F383-T385 PolarHBondContact O-N 2.91Å; T385-K389 VanDerWaalsContact O-CB 3.24Å; T385-K389 WeakPolarHBondContact O-CB 3.48Å; T385-K389 PolarHBondContact O-N 3.26Å
386L98.7Very high98.1Very high34 Ų3460.2 Ų60.218%0.17830%0.304CS..Hα-helixtrans-70-44.4-179.3-176.159000111.8L375 V378 D382 F383 D384 K389 Y390L375-L386 HydrophobicContact CD2-CB 4.3Å; L375-L386 HydrophobicContact CD2-CD2 4.09Å; L375-L386 HydrophobicContact CD2-CG 3.98Å; L375-L386 HydrophobicContact CG-CD2 4.47Å; V378-L386 HydrophobicContact CG2-CD2 3.96Å; D382-L386 WeakPolarHBondContact O-CB 3.42Å; D382-L386 PolarHBondContact O-N 2.74Å; D382-L386 VanDerWaalsContact O-N 3.11Å; F383-L386 PolarHBondContact O-N 3.24Å; D384-L386 PolarHBondContact O-N 2.89Å; L386-K389 WeakPolarHBondContact O-CB 3.18Å; L386-K389 PolarHBondContact O-N 3.41Å; L386-Y390 HydrophobicContact CD1-CD2 4.37Å; L386-Y390 HydrophobicContact CD1-CE1 4.19Å; L386-Y390 HydrophobicContact CD1-CE2 3.66Å; L386-Y390 HydrophobicContact CD2-CE2 4.26Å; L386-Y390 HydrophobicContact CG-CD2 4.25Å; L386-Y390 HydrophobicContact CG-CE2 3.7Å; L386-Y390 WeakPolarHBondContact O-CD2 3.5Å; L386-Y390 PolarHBondContact O-N 2.95Å; L386-Y390 VanDerWaalsContact O-N 3.12Å
387Y98.7Very high98Very high0 Ų064 Ų640%032%0.318CS..Hα-helixtrans-60.3-53.2177.2-177.7-89.8000110.8W320 L353 W364 T365 M367 L375 F383 D384 K389 Y390 E391W320-Y387 HydrophobicContact CB-CD2 4.45Å; W320-Y387 HydrophobicContact CB-CE2 3.77Å; W320-Y387 HydrophobicContact CG-CE2 4.49Å; L353-Y387 HydrophobicContact CD2-CD1 3.47Å; L353-Y387 VanDerWaalsContact CD2-CD1 3.47Å; L353-Y387 HydrophobicContact CD2-CE1 4.01Å; L353-Y387 HydrophobicContact CD2-CG 3.98Å; W364-Y387 HydrophobicContact CE3-CE1 4.28Å; W364-Y387 AromaticContact CE3-CZ 3.97Å; W364-Y387 HydrophobicContact CH2-CE1 4.45Å; W364-Y387 HydrophobicContact CH2-CE2 4.15Å; W364-Y387 AromaticContact CH2-CZ 3.95Å; W364-Y387 HydrophobicContact CZ2-CE2 4.3Å; W364-Y387 AromaticContact CZ3-CE1 3.99Å; W364-Y387 HydrophobicContact CZ3-CE1 3.99Å; W364-Y387 HydrophobicContact CZ3-CE2 4.44Å; W364-Y387 AromaticContact CZ3-CZ 3.8Å; T365-Y387 WeakPolarHBondContact CA-OH 3.3Å; T365-Y387 PolarHBondContact N-OH 2.85Å; T365-Y387 PolarHBondContact O-OH 3.28Å; M367-Y387 HydrophobicContact CE-CD1 4.3Å; M367-Y387 HydrophobicContact CE-CD2 3.81Å; M367-Y387 HydrophobicContact CE-CE1 4.21Å; M367-Y387 HydrophobicContact CE-CE2 3.68Å; M367-Y387 HydrophobicContact CE-CG 4.13Å; M367-Y387 WeakPolarHBondContact CE-O 3.46Å; M367-Y387 HydrophobicContact CG-CE2 4.2Å; M367-Y387 HydrophobicContact SD-CD2 3.57Å; M367-Y387 VanDerWaalsContact SD-CD2 3.57Å; M367-Y387 HydrophobicContact SD-CE2 3.68Å; M367-Y387 HydrophobicContact SD-CG 4.3Å; L375-Y387 HydrophobicContact CD1-CD2 4.5Å; L375-Y387 HydrophobicContact CD2-CD2 4.37Å; F383-Y387 HydrophobicContact CE1-CD2 4.4Å; F383-Y387 HydrophobicContact CE1-CG 4.38Å; F383-Y387 HydrophobicContact CZ-CD2 4.09Å; F383-Y387 HydrophobicContact CZ-CG 4.47Å; F383-Y387 VanDerWaalsContact O-CB 3.24Å; F383-Y387 WeakPolarHBondContact O-CB 3.14Å; F383-Y387 PolarHBondContact O-N 3.45Å; D384-Y387 PolarHBondContact O-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.11Å; Y387-Y390 PolarHBondContact O-N 3.07Å; Y387-E391 HydrophobicContact CD1-CG 4.16Å; Y387-E391 VanDerWaalsContact CE1-CD 3.47Å; Y387-E391 HydrophobicContact CE1-CG 3.89Å; Y387-E391 PolarHBondContact O-N 3.5Å
388E98.6Very high98Very high68 Ų6865 Ų6532%0.31832%0.323SS..Hα-helixtrans-65.9-28.4-179.7-67.4179.7167.900112.6R357 D384 E391 R392R357-E388 IonicContact NH2-OE1 2.83Å; D384-E388 WeakPolarHBondContact O-CB 3.46Å; D384-E388 VanDerWaalsContact O-CG 3.29Å; D384-E388 WeakPolarHBondContact O-CG 3.13Å; D384-E388 PolarHBondContact O-N 3.43Å; E388-E391 PolarHBondContact O-N 3.06Å; E388-R392 WeakPolarHBondContact O-CG 3.37Å; E388-R392 PolarHBondContact O-N 3Å; E388-R392 PolarHBondContact O-NH1 3.32Å
389K98.7Very high98Very high89 Ų8967 Ų6739%0.38734%0.335SS..Hα-helixtrans-60.6-47.4169.8174.6-173.7168.2-175.20110.9T385 L386 Y387 E391 R392 E393T385-K389 VanDerWaalsContact O-CB 3.24Å; T385-K389 WeakPolarHBondContact O-CB 3.48Å; T385-K389 PolarHBondContact O-N 3.26Å; L386-K389 WeakPolarHBondContact O-CB 3.18Å; L386-K389 PolarHBondContact O-N 3.41Å; Y387-K389 PolarHBondContact O-N 3.11Å; K389-E391 VanDerWaalsContact C-N 3.32Å; K389-E391 PolarHBondContact O-N 3.37Å; K389-R392 VanDerWaalsContact CA-NH2 3.35Å; K389-R392 PolarHBondContact O-N 3.42Å; K389-E393 WeakPolarHBondContact CE-OE1 3.5Å; K389-E393 IonicContact NZ-OE1 3.91Å; K389-E393 WeakPolarHBondContact O-CG 3.3Å; K389-E393 PolarHBondContact O-N 2.76Å
390Y98.6Very high98Very high15 Ų1564.7 Ų64.76%0.05933%0.327CS..Hα-helixtrans-66.8-32177.9-66.1-32.7000113.4M367 C372 P373 L375 L386 Y387 E393 G394 R395M367-Y390 HydrophobicContact SD-CD2 4.14Å; M367-Y390 HydrophobicContact SD-CG 4.42Å; C372-Y390 HydrophobicContact CB-CD2 3.5Å; C372-Y390 HydrophobicContact CB-CE2 3.68Å; C372-Y390 HydrophobicContact CB-CG 4.09Å; P373-Y390 PolarHBondContact O-OH 3.06Å; L375-Y390 HydrophobicContact CD1-CD2 4.27Å; L375-Y390 HydrophobicContact CD2-CD2 4.33Å; L375-Y390 HydrophobicContact CD2-CE2 4.44Å; L375-Y390 HydrophobicContact CG-CD2 4.28Å; L375-Y390 HydrophobicContact CG-CE2 4.18Å; L386-Y390 HydrophobicContact CD1-CD2 4.37Å; L386-Y390 HydrophobicContact CD1-CE1 4.19Å; L386-Y390 HydrophobicContact CD1-CE2 3.66Å; L386-Y390 HydrophobicContact CD2-CE2 4.26Å; L386-Y390 HydrophobicContact CG-CD2 4.25Å; L386-Y390 HydrophobicContact CG-CE2 3.7Å; L386-Y390 WeakPolarHBondContact O-CD2 3.5Å; L386-Y390 PolarHBondContact O-N 2.95Å; L386-Y390 VanDerWaalsContact O-N 3.12Å; Y387-Y390 PolarHBondContact O-N 3.07Å; Y390-E393 PolarHBondContact O-N 3.29Å; Y390-G394 PolarHBondContact O-N 2.9Å; Y390-R395 VanDerWaalsContact CE1-CZ 3.49Å; Y390-R395 PolarHBondContact O-N 3.48Å; Y390-R395 VanDerWaalsContact O-N 3.1Å
391E98.2Very high98Very high47 Ų4770.4 Ų70.422%0.2235%0.351CS..Hα-helixtrans-61.3-47.4169-64.6-16412000111.4R357 T365 M367 Y387 E388 K389 E393 G394R357-E391 IonicContact CZ-OE2 3.52Å; R357-E391 IonicContact NH2-OE2 3.32Å; R357-E391 PolarHBondContact NH2-OE2 3.44Å; T365-E391 VanDerWaalsContact CB-OE1 3.24Å; T365-E391 WeakPolarHBondContact CB-OE1 3.39Å; T365-E391 HydrophobicContact CG2-CG 4.41Å; T365-E391 PolarHBondContact OG1-OE1 2.93Å; M367-E391 HydrophobicContact CE-CB 4.38Å; M367-E391 HydrophobicContact CE-CG 3.42Å; M367-E391 VanDerWaalsContact CE-CG 3.42Å; Y387-E391 HydrophobicContact CD1-CG 4.16Å; Y387-E391 VanDerWaalsContact CE1-CD 3.47Å; Y387-E391 HydrophobicContact CE1-CG 3.89Å; Y387-E391 PolarHBondContact O-N 3.5Å; E388-E391 PolarHBondContact O-N 3.06Å; K389-E391 VanDerWaalsContact C-N 3.32Å; K389-E391 PolarHBondContact O-N 3.37Å; E391-E393 VanDerWaalsContact C-N 3.29Å; E391-E393 PolarHBondContact O-N 2.7Å; E391-G394 PolarHBondContact O-N 3.32Å
392R98.1Very high98Very high174 Ų17462.8 Ų62.866%0.65732%0.316SS*.Hα-helixtrans-64.4-32.2178-70.9-174.1-58.1-903.6113.3E388 K389 G394E388-R392 WeakPolarHBondContact O-CG 3.37Å; E388-R392 PolarHBondContact O-N 3Å; E388-R392 PolarHBondContact O-NH1 3.32Å; K389-R392 VanDerWaalsContact CA-NH2 3.35Å; K389-R392 PolarHBondContact O-N 3.42Å; R392-G394 PolarHBondContact O-N 3.36Å
393E98.1Very high97.9Very high95 Ų9558 Ų5844%0.44429%0.29SS..THydrogen-bonded Turntrans-76.7-8.9175.3-71.1176.3-177.700112.9K389 Y390 E391 R395K389-E393 WeakPolarHBondContact CE-OE1 3.5Å; K389-E393 IonicContact NZ-OE1 3.91Å; K389-E393 WeakPolarHBondContact O-CG 3.3Å; K389-E393 PolarHBondContact O-N 2.76Å; Y390-E393 PolarHBondContact O-N 3.29Å; E391-E393 VanDerWaalsContact C-N 3.29Å; E391-E393 PolarHBondContact O-N 2.7Å; E393-R395 VanDerWaalsContact C-N 3.3Å; E393-R395 HydrophobicContact CB-CG 3.91Å; E393-R395 PolarHBondContact O-N 3.37Å; E393-R395 WeakPolarHBondContact OE2-CD 3.32Å; E393-R395 IonicContact OE2-CZ 3.83Å; E393-R395 IonicContact OE2-NE 2.74Å; E393-R395 IonicContact OE2-NH1 3.61Å; E393-R395 PolarHBondContact OE2-NH1 3.35Å
394G97Very high97.9Very high63 Ų6362.8 Ų62.865%0.64931%0.312SS*.THydrogen-bonded Turntrans67.828.5-178.400000113.6Y390 E391 R392Y390-G394 PolarHBondContact O-N 2.9Å; E391-G394 PolarHBondContact O-N 3.32Å; R392-G394 PolarHBondContact O-N 3.36Å
395R96.9Very high97.8Very high88 Ų8861.7 Ų61.733%0.33231%0.306SS..  trans-86.5-7.7-177.1-70.2169.969.1159.76.4114.3E371 Y390 E393E371-R395 PolarHBondContact O-NE 3.37Å; E371-R395 PolarHBondContact O-NH2 3.1Å; Y390-R395 VanDerWaalsContact CE1-CZ 3.49Å; Y390-R395 PolarHBondContact O-N 3.48Å; Y390-R395 VanDerWaalsContact O-N 3.1Å; E393-R395 VanDerWaalsContact C-N 3.3Å; E393-R395 HydrophobicContact CB-CG 3.91Å; E393-R395 PolarHBondContact O-N 3.37Å; E393-R395 WeakPolarHBondContact OE2-CD 3.32Å; E393-R395 IonicContact OE2-CZ 3.83Å; E393-R395 IonicContact OE2-NE 2.74Å; E393-R395 IonicContact OE2-NH1 3.61Å; E393-R395 PolarHBondContact OE2-NH1 3.35Å
396G96.9Very high97.8Very high24 Ų2457.5 Ų57.525%0.24728%0.28CS..  trans-65.5142175.300000112.2T365 L366T365-G396 VanDerWaalsContact CG2-CA 3.47Å; L366-G396 CarbonylContact O-C 3.39Å; L366-G396 WeakPolarHBondContact O-CA 3.49Å
397R95.7Very high97.7Very high82 Ų8257.1 Ų57.131%0.30928%0.277SS..SBendtrans-77-34.5177-70-166161.3-141-23.7112.9S273 L274 G275 T276 P322 L366 D368 E371S273-R397 PolarHBondContact OG-NH1 2.88Å; S273-R397 VanDerWaalsContact OG-NH1 3.16Å; L274-R397 PolarHBondContact O-NH1 3.37Å; G275-R397 PolarHBondContact O-NH2 3.37Å; T276-R397 PolarHBondContact OG1-NH1 2.91Å; T276-R397 PolarHBondContact OG1-NH2 3.32Å; T276-R397 VanDerWaalsContact OG1-NH2 3.13Å; P322-R397 HydrophobicContact CG-CB 4.48Å; P322-R397 HydrophobicContact CG-CG 4.49Å; L366-R397 PolarHBondContact O-N 2.7Å; D368-R397 HydrophobicContact CB-CG 4.28Å; E371-R397 VanDerWaalsContact CD-NE 3.33Å; E371-R397 IonicContact OE1-CZ 3.45Å; E371-R397 IonicContact OE1-NE 3.16Å; E371-R397 PolarHBondContact OE1-NE 2.83Å; E371-R397 IonicContact OE1-NH2 2.7Å; E371-R397 PolarHBondContact OE1-NH2 2.9Å; E371-R397 VanDerWaalsContact OE2-CG 3.26Å; E371-R397 WeakPolarHBondContact OE2-CG 3.43Å; E371-R397 IonicContact OE2-CZ 2.78Å; E371-R397 IonicContact OE2-NE 2.75Å; E371-R397 PolarHBondContact OE2-NE 3.26Å; E371-R397 IonicContact OE2-NH2 3.96Å
398Q96.6Very high97.7Very high104 Ų10457.7 Ų57.749%0.48628%0.281SS..EExtended strand (participates in β ladder)trans-154.2141.9-178.1-176.4-179.2-3.200109T365 L366 V400T365-Q398 CarbonylContact C-O 3.44Å; T365-Q398 WeakPolarHBondContact CA-O 3.42Å; L366-Q398 HydrophobicContact CB-CB 4.42Å; L366-Q398 HydrophobicContact CD1-CB 4.3Å; L366-Q398 PolarHBondContact N-O 3.23Å; Q398-V400 HydrophobicContact CG-CG1 4.09Å
399T98Very high97.6Very high76 Ų7654.4 Ų54.447%0.46627%0.266SS..EExtended strand (participates in β ladder)trans-117.2122.4170.2-58.30000109.1K363 W364 T365K363-T399 HydrophobicContact CB-CG2 3.72Å; K363-T399 HydrophobicContact CD-CG2 4.05Å; K363-T399 HydrophobicContact CG-CG2 4.14Å; W364-T399 WeakPolarHBondContact O-CA 3.26Å; T365-T399 PolarHBondContact OG1-OG1 3Å
400V97.9Very high97.6Very high10 Ų1050.2 Ų50.26%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-112.6174.8176.8-63.20000109.9K363 W364 Q398K363-V400 WeakPolarHBondContact CA-O 3.35Å; W364-V400 HydrophobicContact CB-CG2 4.36Å; W364-V400 PolarHBondContact N-O 2.92Å; W364-V400 PolarHBondContact O-N 2.98Å; Q398-V400 HydrophobicContact CG-CG1 4.09Å
401K98.1Very high97.4Very high123 Ų12351.7 Ų51.754%0.53526%0.255SS..EExtended strand (participates in β ladder)trans-75.2138.2161.8-70.7-172.2177.7-177.70109Q403 E404K401-Q403 PolarHBondContact O-N 3.05Å; K401-E404 HydrophobicContact CB-CB 4.38Å; K401-E404 VanDerWaalsContact O-CB 3.23Å; K401-E404 WeakPolarHBondContact O-CB 3.35Å; K401-E404 PolarHBondContact O-N 3.42Å
402A98.2Very high97.2Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-56.5-36.8177.500000112R357 V358 D362 W364 E404 L405 W406R357-A402 VanDerWaalsContact C-CB 3.48Å; R357-A402 HydrophobicContact CB-CB 3.86Å; R357-A402 WeakPolarHBondContact O-CB 3.41Å; V358-A402 HydrophobicContact CB-CB 4.38Å; V358-A402 HydrophobicContact CG2-CB 3.74Å; D362-A402 WeakPolarHBondContact O-CB 3.16Å; D362-A402 PolarHBondContact O-N 2.89Å; W364-A402 HydrophobicContact CB-CB 3.88Å; A402-E404 PolarHBondContact O-N 3.06Å; A402-L405 PolarHBondContact O-N 2.96Å; A402-W406 PolarHBondContact O-N 3.27Å
403Q97.6Very high97.1Very high16 Ų1641.2 Ų41.28%0.07521%0.214CC..Hα-helixtrans-66.9-20.6177.4-69.4-172.5-4.600114.3V358 N361 K401 W406 Y407V358-Q403 HydrophobicContact CG1-CG 4.2Å; V358-Q403 WeakPolarHBondContact O-CG 3.28Å; V358-Q403 PolarHBondContact O-NE2 2.96Å; N361-Q403 HydrophobicContact CB-CG 4.44Å; N361-Q403 VanDerWaalsContact OD1-CD 3.26Å; N361-Q403 PolarHBondContact OD1-OE1 3.06Å; K401-Q403 PolarHBondContact O-N 3.05Å; Q403-W406 PolarHBondContact O-N 3.41Å; Q403-Y407 WeakPolarHBondContact O-CB 3.18Å; Q403-Y407 PolarHBondContact O-N 2.97Å
404E97.3Very high96.9Very high99 Ų9939 Ų3946%0.46321%0.205SC..Hα-helixtrans-70.3-47.2175.5-172-178.1153.700110.7F325 K401 A402 W406 Y407 A408F325-E404 HydrophobicContact CZ-CG 4.42Å; K401-E404 HydrophobicContact CB-CB 4.38Å; K401-E404 VanDerWaalsContact O-CB 3.23Å; K401-E404 WeakPolarHBondContact O-CB 3.35Å; K401-E404 PolarHBondContact O-N 3.42Å; A402-E404 PolarHBondContact O-N 3.06Å; E404-W406 VanDerWaalsContact C-N 3.31Å; E404-W406 PolarHBondContact O-N 2.94Å; E404-Y407 WeakPolarHBondContact O-CB 3.43Å; E404-Y407 PolarHBondContact O-N 3.27Å; E404-A408 PolarHBondContact O-N 2.98Å
405L98.2Very high96.6Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-63.8-40.5171.7178.855.5000111P319 V324 F325 I328 F354 A402 Y407 A408 I409P319-L405 HydrophobicContact CB-CD2 3.92Å; P319-L405 VanDerWaalsContact O-CD2 3.25Å; P319-L405 WeakPolarHBondContact O-CD2 3.29Å; V324-L405 HydrophobicContact CG1-CD1 3.74Å; V324-L405 HydrophobicContact CG1-CD2 3.83Å; V324-L405 HydrophobicContact CG1-CG 4.47Å; V324-L405 HydrophobicContact CG2-CD1 4.02Å; V324-L405 HydrophobicContact CG2-CD2 4.29Å; F325-L405 HydrophobicContact CD1-CD1 4.17Å; F325-L405 HydrophobicContact CD2-CD1 4.36Å; F325-L405 HydrophobicContact CE1-CB 4.34Å; F325-L405 HydrophobicContact CE1-CD1 3.98Å; F325-L405 HydrophobicContact CE2-CB 4.44Å; F325-L405 HydrophobicContact CE2-CD1 4.18Å; F325-L405 HydrophobicContact CG-CD1 4.37Å; F325-L405 HydrophobicContact CZ-CB 3.87Å; F325-L405 HydrophobicContact CZ-CD1 3.99Å; I328-L405 HydrophobicContact CD1-CD1 4.48Å; F354-L405 HydrophobicContact CE2-CB 4.43Å; F354-L405 HydrophobicContact CE2-CD2 3.84Å; F354-L405 HydrophobicContact CE2-CG 4.32Å; F354-L405 HydrophobicContact CZ-CB 4.4Å; F354-L405 HydrophobicContact CZ-CD2 3.97Å; F354-L405 HydrophobicContact CZ-CG 4.08Å; A402-L405 PolarHBondContact O-N 2.96Å; L405-Y407 VanDerWaalsContact C-N 3.32Å; L405-Y407 PolarHBondContact O-N 3.35Å; L405-A408 PolarHBondContact O-N 2.88Å; L405-I409 HydrophobicContact CD1-CD1 4.41Å; L405-I409 HydrophobicContact CD1-CG1 4.41Å; L405-I409 HydrophobicContact CG-CD1 4.07Å; L405-I409 VanDerWaalsContact O-CG1 3.29Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 3.49Å
406W98.3Very high96.4Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-57.9-44.1175-169.7-103.5000112.3F354 M355 V358 A402 Q403 E404 A408 I409 I410 M421 T743 H746 F747F354-W406 AromaticContact CE1-CE3 3.81Å; F354-W406 HydrophobicContact CE1-CE3 3.81Å; F354-W406 HydrophobicContact CE1-CZ3 4.13Å; F354-W406 HydrophobicContact CZ-CE3 4.26Å; M355-W406 HydrophobicContact CE-CH2 3.95Å; M355-W406 HydrophobicContact CE-CZ3 4.18Å; M355-W406 HydrophobicContact SD-CH2 4.26Å; M355-W406 HydrophobicContact SD-CZ3 3.91Å; V358-W406 HydrophobicContact CG1-CB 3.86Å; V358-W406 HydrophobicContact CG1-CD2 3.82Å; V358-W406 HydrophobicContact CG1-CE3 4.22Å; V358-W406 HydrophobicContact CG1-CG 3.63Å; V358-W406 HydrophobicContact CG2-CB 4.08Å; V358-W406 HydrophobicContact CG2-CD2 4.46Å; V358-W406 HydrophobicContact CG2-CE3 4.17Å; V358-W406 HydrophobicContact CG2-CG 4.44Å; A402-W406 PolarHBondContact O-N 3.27Å; Q403-W406 PolarHBondContact O-N 3.41Å; E404-W406 VanDerWaalsContact C-N 3.31Å; E404-W406 PolarHBondContact O-N 2.94Å; W406-A408 VanDerWaalsContact C-N 3.33Å; W406-A408 PolarHBondContact O-N 3.46Å; W406-I409 HydrophobicContact CE3-CD1 4.36Å; W406-I409 WeakPolarHBondContact O-CB 3.5Å; W406-I409 PolarHBondContact O-N 3.27Å; W406-I410 HydrophobicContact CG-CG1 4.49Å; W406-I410 HydrophobicContact CZ2-CD1 4Å; W406-I410 VanDerWaalsContact O-CG1 3.28Å; W406-I410 WeakPolarHBondContact O-CG1 3.38Å; W406-I410 PolarHBondContact O-N 3.47Å; W406-M421 HydrophobicContact CH2-CE 3.84Å; W406-M421 HydrophobicContact CZ3-CE 3.65Å; W406-T743 HydrophobicContact CZ2-CG2 4.42Å; W406-T743 PolarHBondContact NE1-OG1 3.11Å; W406-H746 HydrophobicContact CH2-CB 3.68Å; W406-H746 AromaticContact CH2-CD2 3.94Å; W406-H746 HydrophobicContact CZ2-CB 3.85Å; W406-H746 AromaticContact CZ2-CD2 3.87Å; W406-F747 HydrophobicContact CD2-CE2 4.46Å; W406-F747 AromaticContact CE2-CE2 3.87Å; W406-F747 HydrophobicContact CH2-CD2 4.46Å; W406-F747 HydrophobicContact CH2-CE2 4.02Å; W406-F747 AromaticContact CZ2-CD2 3.99Å; W406-F747 HydrophobicContact CZ2-CD2 3.99Å; W406-F747 AromaticContact CZ2-CE2 3.63Å; W406-F747 HydrophobicContact CZ2-CE2 3.63Å
407Y96.9Very high96.3Very high27 Ų2736.7 Ų36.711%0.10618%0.178CC..Hα-helixtrans-55.6-48.9176-178.3-81.5000111.4Q403 E404 L405 I409 I410 E411 Y739 N818 L819 I822Q403-Y407 WeakPolarHBondContact O-CB 3.18Å; Q403-Y407 PolarHBondContact O-N 2.97Å; E404-Y407 WeakPolarHBondContact O-CB 3.43Å; E404-Y407 PolarHBondContact O-N 3.27Å; L405-Y407 VanDerWaalsContact C-N 3.32Å; L405-Y407 PolarHBondContact O-N 3.35Å; Y407-I409 VanDerWaalsContact C-N 3.32Å; Y407-I409 PolarHBondContact O-N 3.38Å; Y407-I410 PolarHBondContact O-N 2.93Å; Y407-E411 HydrophobicContact CE1-CB 4.43Å; Y407-E411 WeakPolarHBondContact O-CB 3.37Å; Y407-E411 PolarHBondContact O-N 3.05Å; Y407-Y739 HydrophobicContact CD1-CE1 4.42Å; Y407-Y739 HydrophobicContact CD2-CD1 4.14Å; Y407-Y739 AromaticContact CD2-CE1 3.73Å; Y407-Y739 HydrophobicContact CD2-CE1 3.73Å; Y407-Y739 HydrophobicContact CE1-CE1 4.22Å; Y407-Y739 HydrophobicContact CE2-CD1 4.13Å; Y407-Y739 AromaticContact CE2-CE1 3.53Å; Y407-Y739 HydrophobicContact CE2-CE1 3.53Å; Y407-Y739 AromaticContact CE2-CZ 3.88Å; Y407-Y739 HydrophobicContact CG-CE1 4.17Å; Y407-Y739 AromaticContact CZ-CE1 3.76Å; Y407-Y739 AromaticContact CZ-CZ 3.76Å; Y407-Y739 PolarHBondContact OH-OH 3.14Å; Y407-N818 HydrophobicContact CE2-CB 3.62Å; Y407-N818 PolarHBondContact OH-ND2 3.27Å; Y407-L819 HydrophobicContact CD2-CD2 4.04Å; Y407-L819 HydrophobicContact CD2-CG 4.18Å; Y407-I822 HydrophobicContact CD2-CD1 4.08Å
408A97Very high96.2Very high11 Ų1133 Ų339%0.09116%0.164CC..Hα-helixtrans-63.5-37.1179.900000112.5F325 I328 E404 L405 W406 C412F325-A408 HydrophobicContact CD1-CB 3.91Å; F325-A408 HydrophobicContact CE1-CB 3.9Å; I328-A408 HydrophobicContact CD1-CB 3.74Å; E404-A408 PolarHBondContact O-N 2.98Å; L405-A408 PolarHBondContact O-N 2.88Å; W406-A408 VanDerWaalsContact C-N 3.33Å; W406-A408 PolarHBondContact O-N 3.46Å; A408-C412 WeakPolarHBondContact O-CB 3.42Å; A408-C412 PolarHBondContact O-N 2.95Å
409I98Very high96.2Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-59.9-50.6174.1-68.5166000110.5I328 L348 F354 L405 W406 Y407 C412 Q413 P419 M421I328-I409 HydrophobicContact CD1-CG1 4.1Å; L348-I409 HydrophobicContact CD1-CD1 3.4Å; L348-I409 VanDerWaalsContact CD1-CD1 3.4Å; L348-I409 HydrophobicContact CD1-CG1 3.63Å; L348-I409 HydrophobicContact CD1-CG2 4.26Å; F354-I409 HydrophobicContact CE1-CD1 4.13Å; F354-I409 HydrophobicContact CZ-CD1 4.1Å; L405-I409 HydrophobicContact CD1-CD1 4.41Å; L405-I409 HydrophobicContact CD1-CG1 4.41Å; L405-I409 HydrophobicContact CG-CD1 4.07Å; L405-I409 VanDerWaalsContact O-CG1 3.29Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 3.49Å; W406-I409 HydrophobicContact CE3-CD1 4.36Å; W406-I409 WeakPolarHBondContact O-CB 3.5Å; W406-I409 PolarHBondContact O-N 3.27Å; Y407-I409 VanDerWaalsContact C-N 3.32Å; Y407-I409 PolarHBondContact O-N 3.38Å; I409-C412 PolarHBondContact O-N 2.91Å; I409-Q413 WeakPolarHBondContact O-CG 3.25Å; I409-Q413 PolarHBondContact O-N 3.07Å; I409-P419 HydrophobicContact CG2-CG 4.15Å; I409-M421 HydrophobicContact CG2-CE 4.04Å; I409-M421 HydrophobicContact CG2-SD 3.92Å
410I97.1Very high96.2Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-67.6-41.4-176.3-60.2-68.2000111.2W406 Y407 C412 Q413 I414 Y739 I742W406-I410 HydrophobicContact CG-CG1 4.49Å; W406-I410 HydrophobicContact CZ2-CD1 4Å; W406-I410 VanDerWaalsContact O-CG1 3.28Å; W406-I410 WeakPolarHBondContact O-CG1 3.38Å; W406-I410 PolarHBondContact O-N 3.47Å; Y407-I410 PolarHBondContact O-N 2.93Å; I410-C412 VanDerWaalsContact C-N 3.34Å; I410-C412 PolarHBondContact O-N 3.19Å; I410-Q413 WeakPolarHBondContact O-CB 3.27Å; I410-Q413 PolarHBondContact O-N 3.19Å; I410-I414 HydrophobicContact CG2-CD1 4.08Å; I410-I414 WeakPolarHBondContact O-CG1 3.5Å; I410-I414 PolarHBondContact O-N 3.3Å; I410-Y739 HydrophobicContact CB-CD1 3.93Å; I410-Y739 HydrophobicContact CB-CE1 4.15Å; I410-Y739 HydrophobicContact CG2-CD1 3.48Å; I410-Y739 VanDerWaalsContact CG2-CD1 3.48Å; I410-Y739 HydrophobicContact CG2-CE1 3.95Å; I410-Y739 HydrophobicContact CG2-CG 3.99Å; I410-I742 HydrophobicContact CD1-CB 4Å; I410-I742 HydrophobicContact CD1-CG2 3.39Å; I410-I742 HydrophobicContact CG2-CB 4.18Å; I410-I742 HydrophobicContact CG2-CD1 4.03Å; I410-I742 HydrophobicContact CG2-CG2 4.36Å
411E94.8Very high96.2Very high47 Ų4724 Ų2422%0.2212%0.116CC..Hα-helixtrans-57.1-48.7174.6-174.8-178-102.200111.1K332 Y407 Q413 I414 E415 Y739K332-E411 IonicContact NZ-OE2 3.27Å; K332-E411 PolarHBondContact NZ-OE2 2.94Å; Y407-E411 HydrophobicContact CE1-CB 4.43Å; Y407-E411 WeakPolarHBondContact O-CB 3.37Å; Y407-E411 PolarHBondContact O-N 3.05Å; E411-Q413 VanDerWaalsContact C-N 3.29Å; E411-Q413 PolarHBondContact O-N 3.42Å; E411-I414 WeakPolarHBondContact O-CB 3.42Å; E411-I414 PolarHBondContact O-N 3.36Å; E411-I414 VanDerWaalsContact O-N 3.16Å; E411-E415 PolarHBondContact O-N 3.04Å; E411-Y739 HydrophobicContact CB-CE1 4.33Å; E411-Y739 WeakPolarHBondContact CB-OH 3.4Å
412C95.2Very high96.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-63.1-36.2177.8-166.30000112.5I328 A408 I409 I410 I414 E415 T416 N418I328-C412 PolarHBondContact O-SG 2.84Å; A408-C412 WeakPolarHBondContact O-CB 3.42Å; A408-C412 PolarHBondContact O-N 2.95Å; I409-C412 PolarHBondContact O-N 2.91Å; I410-C412 VanDerWaalsContact C-N 3.34Å; I410-C412 PolarHBondContact O-N 3.19Å; C412-I414 VanDerWaalsContact C-N 3.34Å; C412-I414 PolarHBondContact O-N 3.11Å; C412-E415 PolarHBondContact O-N 3Å; C412-T416 WeakPolarHBondContact O-CB 3.48Å; C412-T416 PolarHBondContact O-N 2.9Å; C412-T416 PolarHBondContact O-OG1 2.85Å; C412-N418 CarbonylContact C-O 3.59Å; C412-N418 VanDerWaalsContact O-O 3.1Å
413Q95.6Very high96.3Very high0 Ų018.1 Ų18.10%09%0.091CC..Hα-helixtrans-64.2-40175.4-74.7177.3-12.700111.9I409 I410 E411 G417 N418 P419 H746 M758 L761I409-Q413 WeakPolarHBondContact O-CG 3.25Å; I409-Q413 PolarHBondContact O-N 3.07Å; I410-Q413 WeakPolarHBondContact O-CB 3.27Å; I410-Q413 PolarHBondContact O-N 3.19Å; E411-Q413 VanDerWaalsContact C-N 3.29Å; E411-Q413 PolarHBondContact O-N 3.42Å; Q413-G417 WeakPolarHBondContact O-CA 3.49Å; Q413-G417 PolarHBondContact O-N 3.12Å; Q413-N418 WeakPolarHBondContact CA-O 3.45Å; Q413-N418 WeakPolarHBondContact CG-O 3.22Å; Q413-N418 PolarHBondContact N-O 3.46Å; Q413-P419 PolarHBondContact NE2-O 3.48Å; Q413-H746 PolarHBondContact NE2-NE2 3.43Å; Q413-H746 PolarHBondContact OE1-NE2 3.37Å; Q413-M758 HydrophobicContact CG-CE 3.9Å; Q413-L761 HydrophobicContact CB-CD2 4.28Å
414I93.1Very high96.3Very high50 Ų5017.3 Ų17.326%0.2569%0.087SC..Hα-helixtrans-63.5-44.4175.4-67.6169000110.6I410 E411 C412 P737 Y739 I742I410-I414 HydrophobicContact CG2-CD1 4.08Å; I410-I414 WeakPolarHBondContact O-CG1 3.5Å; I410-I414 PolarHBondContact O-N 3.3Å; E411-I414 WeakPolarHBondContact O-CB 3.42Å; E411-I414 PolarHBondContact O-N 3.36Å; E411-I414 VanDerWaalsContact O-N 3.16Å; C412-I414 VanDerWaalsContact C-N 3.34Å; C412-I414 PolarHBondContact O-N 3.11Å; I414-P737 HydrophobicContact CG1-CB 4.14Å; I414-P737 HydrophobicContact CG1-CG 4.4Å; I414-P737 HydrophobicContact CG2-CG 4.13Å; I414-Y739 HydrophobicContact CD1-CD2 4.01Å; I414-Y739 HydrophobicContact CD1-CE2 3.8Å; I414-Y739 HydrophobicContact CD1-CG 4.5Å; I414-I742 HydrophobicContact CD1-CD1 4.03Å; I414-I742 HydrophobicContact CG1-CD1 3.5Å; I414-I742 VanDerWaalsContact CG1-CD1 3.5Å
415E91.9Very high96.4Very high87 Ų8712.7 Ų12.741%0.4077%0.066SC..Hα-helixtrans-73-37-177.4-73.1-176.4-140.400113.9K332 E411 C412K332-E415 WeakPolarHBondContact CD-OE2 3.3Å; K332-E415 WeakPolarHBondContact CE-OE1 3.48Å; K332-E415 WeakPolarHBondContact CE-OE2 3.39Å; K332-E415 WeakPolarHBondContact CG-OE2 3.43Å; K332-E415 IonicContact NZ-OE1 2.65Å; K332-E415 PolarHBondContact NZ-OE1 3.3Å; E411-E415 PolarHBondContact O-N 3.04Å; C412-E415 PolarHBondContact O-N 3Å
416T92.4Very high96.4Very high30 Ų3012.9 Ų12.918%0.1847%0.067CC..Hα-helixtrans-129.3-10.3-16574.10000114.7K332 C412 N418K332-T416 HydrophobicContact CG-CG2 4.2Å; C412-T416 WeakPolarHBondContact O-CB 3.48Å; C412-T416 PolarHBondContact O-N 2.9Å; C412-T416 PolarHBondContact O-OG1 2.85Å; T416-N418 PolarHBondContact O-N 3.39Å; T416-N418 PolarHBondContact O-ND2 3.03Å; T416-N418 PolarHBondContact OG1-N 3.17Å; T416-N418 PolarHBondContact OG1-O 3.13Å
417G93.4Very high96.5Very high8 Ų812.9 Ų12.98%0.0827%0.067CC..SBendtrans73.55.3-170.600000115.2Q413 L761Q413-G417 WeakPolarHBondContact O-CA 3.49Å; Q413-G417 PolarHBondContact O-N 3.12Å; G417-L761 PolarHBondContact O-N 2.87Å
418N93.7Very high96.5Very high4 Ų411.7 Ų11.72%0.0216%0.063CC..  trans-127.7161-177.2-66.6-107.8000109.3R331 C412 Q413 T416 F420R331-N418 VanDerWaalsContact NH1-CG 3.34Å; R331-N418 PolarHBondContact NH1-ND2 3.46Å; R331-N418 VanDerWaalsContact NH1-ND2 3.15Å; R331-N418 PolarHBondContact NH1-OD1 2.91Å; C412-N418 CarbonylContact C-O 3.59Å; C412-N418 VanDerWaalsContact O-O 3.1Å; Q413-N418 WeakPolarHBondContact CA-O 3.45Å; Q413-N418 WeakPolarHBondContact CG-O 3.22Å; Q413-N418 PolarHBondContact N-O 3.46Å; T416-N418 PolarHBondContact O-N 3.39Å; T416-N418 PolarHBondContact O-ND2 3.03Å; T416-N418 PolarHBondContact OG1-N 3.17Å; T416-N418 PolarHBondContact OG1-O 3.13Å; N418-F420 WeakPolarHBondContact OD1-CE1 3.49Å
419P97.6Very high96.6Very high1 Ų115.6 Ų15.61%0.0068%0.075CC..  cis-76.7160.24.332.3-37.9000113.6I328 F346 L348 I409 Q413 M421 M758I328-P419 HydrophobicContact CG2-CB 4.46Å; I328-P419 HydrophobicContact CG2-CG 3.94Å; F346-P419 HydrophobicContact CB-CB 4.48Å; F346-P419 CarbonylContact O-C 3.57Å; F346-P419 WeakPolarHBondContact O-CA 3.49Å; F346-P419 WeakPolarHBondContact O-CB 3.3Å; L348-P419 HydrophobicContact CD1-CB 4.47Å; L348-P419 HydrophobicContact CD1-CG 3.76Å; L348-P419 HydrophobicContact CG-CB 4.07Å; L348-P419 HydrophobicContact CG-CG 3.89Å; I409-P419 HydrophobicContact CG2-CG 4.15Å; Q413-P419 PolarHBondContact NE2-O 3.48Å; P419-M421 HydrophobicContact CG-SD 4.49Å; P419-M758 WeakPolarHBondContact O-CE 3.42Å
420F98.3Very high96.6Very high0 Ų016.5 Ų16.50%08%0.079CC..EExtended strand (participates in β ladder)trans-65.5151.3166.4-48.6-17.7000109.4A314 F345 F346 A347 L348 N418 L422 L444 T446 M758 Y759 Y760A314-F420 HydrophobicContact CB-CE2 4.35Å; F345-F420 HydrophobicContact CB-CE2 4.15Å; F345-F420 HydrophobicContact CB-CZ 3.92Å; F345-F420 HydrophobicContact CD1-CE1 4.44Å; F345-F420 AromaticContact CD1-CZ 3.77Å; F345-F420 HydrophobicContact CD1-CZ 3.77Å; F345-F420 HydrophobicContact CG-CZ 4.23Å; F346-F420 PolarHBondContact O-N 3.35Å; A347-F420 HydrophobicContact CB-CB 3.74Å; A347-F420 HydrophobicContact CB-CD2 3.91Å; A347-F420 HydrophobicContact CB-CG 4.13Å; L348-F420 PolarHBondContact N-O 3.21Å; N418-F420 WeakPolarHBondContact OD1-CE1 3.49Å; F420-L422 HydrophobicContact CB-CD1 3.87Å; F420-L444 HydrophobicContact CE2-CD1 4.31Å; F420-L444 VanDerWaalsContact CE2-O 3.23Å; F420-L444 WeakPolarHBondContact CE2-O 3.48Å; F420-L444 HydrophobicContact CZ-CD1 4.5Å; F420-T446 HydrophobicContact CB-CG2 4.13Å; F420-T446 HydrophobicContact CD2-CG2 3.63Å; F420-T446 HydrophobicContact CE2-CG2 4.34Å; F420-T446 HydrophobicContact CG-CG2 4.11Å; F420-M758 WeakPolarHBondContact CA-O 3.49Å; F420-Y759 HydrophobicContact CD1-CD2 4.22Å; F420-Y759 WeakPolarHBondContact CD1-O 3.24Å; F420-Y759 HydrophobicContact CD2-CD2 4.11Å; F420-Y759 HydrophobicContact CD2-CE2 4.25Å; F420-Y759 HydrophobicContact CE1-CD2 4.04Å; F420-Y759 HydrophobicContact CE1-CE2 4.02Å; F420-Y759 WeakPolarHBondContact CE1-O 3.37Å; F420-Y759 AromaticContact CE2-CD2 3.97Å; F420-Y759 HydrophobicContact CE2-CD2 3.97Å; F420-Y759 AromaticContact CE2-CE2 3.64Å; F420-Y759 HydrophobicContact CE2-CE2 3.64Å; F420-Y759 HydrophobicContact CG-CD2 4.24Å; F420-Y759 WeakPolarHBondContact CG-O 3.49Å; F420-Y759 AromaticContact CZ-CD2 3.91Å; F420-Y759 HydrophobicContact CZ-CD2 3.91Å; F420-Y759 AromaticContact CZ-CE2 3.49Å; F420-Y759 HydrophobicContact CZ-CE2 3.49Å; F420-Y759 VanDerWaalsContact CZ-CE2 3.49Å; F420-Y760 AromaticContact CE1-CD1 3.8Å; F420-Y760 HydrophobicContact CE1-CD1 3.8Å; F420-Y760 AromaticContact CE1-CE1 3.38Å; F420-Y760 HydrophobicContact CE1-CE1 3.38Å; F420-Y760 HydrophobicContact CE1-CE2 4.41Å; F420-Y760 HydrophobicContact CE1-CG 4.44Å; F420-Y760 AromaticContact CE1-CZ 3.68Å; F420-Y760 AromaticContact CZ-CE1 3.86Å; F420-Y760 HydrophobicContact CZ-CE1 3.86Å; F420-Y760 HydrophobicContact CZ-CE2 4.43Å; F420-Y760 AromaticContact CZ-CZ 3.7Å
421M98.4Very high96.7Very high0 Ų016.5 Ų16.50%08%0.079CC..EExtended strand (participates in β ladder)trans-122.2112.8-177.3-58.1-65.8-80.900110L348 I350 W406 I409 P419 G757 M758L348-M421 HydrophobicContact CB-SD 4.31Å; L348-M421 HydrophobicContact CD1-SD 4.1Å; I350-M421 HydrophobicContact CD1-CB 4.26Å; I350-M421 HydrophobicContact CD1-CE 3.19Å; I350-M421 HydrophobicContact CD1-SD 3.7Å; W406-M421 HydrophobicContact CH2-CE 3.84Å; W406-M421 HydrophobicContact CZ3-CE 3.65Å; I409-M421 HydrophobicContact CG2-CE 4.04Å; I409-M421 HydrophobicContact CG2-SD 3.92Å; P419-M421 HydrophobicContact CG-SD 4.49Å; M421-G757 WeakPolarHBondContact O-CA 3.41Å; M421-G757 PolarHBondContact O-N 2.91Å; M421-M758 HydrophobicContact CB-CB 4.22Å; M421-M758 HydrophobicContact CG-CB 4.36Å; M421-M758 HydrophobicContact CG-CE 4.43Å; M421-M758 PolarHBondContact N-O 3.49Å; M421-M758 PolarHBondContact O-N 3.29Å; M421-M758 VanDerWaalsContact O-N 3.1Å
422L98.7Very high96.8Very high0 Ų014.5 Ų14.50%07%0.07CC..EExtended strand (participates in β ladder)trans-128.1137.5176.1-63.782.2000110Y316 L348 W349 I350 F420 K424 T446 K755 T756Y316-L422 HydrophobicContact CE1-CD1 3.81Å; Y316-L422 HydrophobicContact CE1-CD2 4.07Å; Y316-L422 HydrophobicContact CE1-CG 4.48Å; L348-L422 PolarHBondContact O-N 3.32Å; L348-L422 VanDerWaalsContact O-N 3.11Å; W349-L422 HydrophobicContact CE3-CB 3.66Å; W349-L422 HydrophobicContact CE3-CD2 4.21Å; W349-L422 HydrophobicContact CE3-CG 4.49Å; W349-L422 HydrophobicContact CZ3-CB 3.68Å; W349-L422 HydrophobicContact CZ3-CD2 3.6Å; W349-L422 HydrophobicContact CZ3-CG 4.27Å; I350-L422 WeakPolarHBondContact CB-O 3.22Å; I350-L422 PolarHBondContact N-O 3.38Å; F420-L422 HydrophobicContact CB-CD1 3.87Å; L422-K424 PolarHBondContact O-N 2.92Å; L422-T446 HydrophobicContact CD1-CG2 3.81Å; L422-T446 HydrophobicContact CD2-CG2 4.22Å; L422-T446 HydrophobicContact CG-CG2 4.43Å; L422-K755 WeakPolarHBondContact CA-O 3.4Å; L422-T756 HydrophobicContact CG-CG2 4.45Å
423Y98.8Very high97Very high0 Ų014.6 Ų14.60%07%0.07CC..EExtended strand (participates in β ladder)trans-95.3100.5-173.7-56.8-59.6000110I350 M355 D425 S426 C427 H746 A749 W750 L754 K755 G757I350-Y423 HydrophobicContact CB-CD1 4.3Å; I350-Y423 HydrophobicContact CG2-CD1 4.44Å; I350-Y423 CarbonylContact O-C 3.53Å; I350-Y423 WeakPolarHBondContact O-CA 3.41Å; M355-Y423 HydrophobicContact CE-CE1 4.14Å; M355-Y423 HydrophobicContact CG-CD1 4.45Å; M355-Y423 HydrophobicContact CG-CE1 4.35Å; M355-Y423 HydrophobicContact SD-CE1 4.06Å; Y423-D425 PolarHBondContact O-N 2.62Å; Y423-S426 PolarHBondContact O-N 2.94Å; Y423-S426 VanDerWaalsContact O-N 3.14Å; Y423-C427 WeakPolarHBondContact O-CB 3.29Å; Y423-C427 PolarHBondContact O-N 3.47Å; Y423-C427 PolarHBondContact O-SG 3.03Å; Y423-C427 VanDerWaalsContact O-SG 3.37Å; Y423-H746 PolarHBondContact OH-O 3.26Å; Y423-A749 HydrophobicContact CE2-CB 4.37Å; Y423-W750 HydrophobicContact CD1-CB 4.42Å; Y423-W750 AromaticContact CD1-CD1 3.84Å; Y423-W750 HydrophobicContact CD1-CG 4.45Å; Y423-W750 HydrophobicContact CE1-CB 3.86Å; Y423-W750 HydrophobicContact CE1-CG 4.25Å; Y423-W750 HydrophobicContact CE2-CB 4Å; Y423-L754 WeakPolarHBondContact CD2-O 3.47Å; Y423-K755 PolarHBondContact N-O 2.93Å; Y423-G757 VanDerWaalsContact CE2-CA 3.44Å
424K98.6Very high97Very high0 Ų017.9 Ų17.90%09%0.085CC..Hα-helixtrans-45.4-48.7-176.5171.1174.9178.1174.90112.2E318 W349 I350 P351 L375 V378 W379 L422 C427 N428E318-K424 WeakPolarHBondContact OE1-CE 3.41Å; E318-K424 IonicContact OE1-NZ 3.93Å; E318-K424 PolarHBondContact OE1-NZ 2.58Å; E318-K424 WeakPolarHBondContact OE2-CD 3.39Å; E318-K424 IonicContact OE2-NZ 3.79Å; E318-K424 PolarHBondContact OE2-NZ 2.82Å; W349-K424 HydrophobicContact CG-CB 4.19Å; I350-K424 WeakPolarHBondContact O-CB 3.37Å; I350-K424 PolarHBondContact O-N 2.76Å; P351-K424 HydrophobicContact CB-CD 4.48Å; L375-K424 PolarHBondContact O-NZ 3.36Å; L375-K424 VanDerWaalsContact O-NZ 3.08Å; V378-K424 WeakPolarHBondContact O-CE 3.42Å; V378-K424 PolarHBondContact O-NZ 3.44Å; W379-K424 HydrophobicContact CB-CG 4.25Å; L422-K424 PolarHBondContact O-N 2.92Å; K424-C427 WeakPolarHBondContact O-CB 3.38Å; K424-C427 PolarHBondContact O-N 3.31Å; K424-N428 PolarHBondContact O-N 3.14Å; K424-N428 PolarHBondContact O-ND2 3.49Å
425D98.7Very high97.2Very high1 Ų118.3 Ų18.31%0.0059%0.086CC..Hα-helixtrans-72.5-40.9-173.1-66.10000111.1D352 G380 Y423 N428 R429D352-D425 HydrophobicContact CB-CB 4.32Å; D352-D425 WeakPolarHBondContact CB-OD2 3.45Å; D352-D425 VanDerWaalsContact CG-CB 3.48Å; D352-D425 VanDerWaalsContact CG-OD2 3.27Å; D352-D425 PolarHBondContact N-OD2 3.01Å; D352-D425 WeakPolarHBondContact OD2-CB 3.4Å; G380-D425 PolarHBondContact N-OD1 3.27Å; Y423-D425 PolarHBondContact O-N 2.62Å; D425-N428 PolarHBondContact O-N 3.04Å; D425-R429 WeakPolarHBondContact O-CB 3.11Å; D425-R429 PolarHBondContact O-N 3.43Å
426S98.5Very high97.5Very high5 Ų515.6 Ų15.64%0.0358%0.075CC..Hα-helixtrans-66.1-37.9173.5-73.30000112.2Y423 K430 L754Y423-S426 PolarHBondContact O-N 2.94Å; Y423-S426 VanDerWaalsContact O-N 3.14Å; S426-K430 WeakPolarHBondContact O-CB 3.49Å; S426-K430 PolarHBondContact O-N 3.36Å; S426-L754 WeakPolarHBondContact CB-O 3.3Å; S426-L754 PolarHBondContact OG-O 3.27Å
427C98.7Very high97.7Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-59.6-45.6174.2-75.60000111.9W349 Y423 K424 S431 V449W349-C427 HydrophobicContact CH2-CB 3.63Å; W349-C427 WeakPolarHBondContact CH2-SG 3.4Å; W349-C427 HydrophobicContact CZ2-CB 3.62Å; Y423-C427 WeakPolarHBondContact O-CB 3.29Å; Y423-C427 PolarHBondContact O-N 3.47Å; Y423-C427 PolarHBondContact O-SG 3.03Å; Y423-C427 VanDerWaalsContact O-SG 3.37Å; K424-C427 WeakPolarHBondContact O-CB 3.38Å; K424-C427 PolarHBondContact O-N 3.31Å; C427-S431 VanDerWaalsContact O-CB 3.24Å; C427-S431 WeakPolarHBondContact O-CB 3.2Å; C427-V449 HydrophobicContact CB-CG1 3.77Å
428N98.6Very high97.9Very high2 Ų215.8 Ų15.81%0.0118%0.079CC..Hα-helixtrans-78.5-47.9-178.6-78.9-81.5000112.8W379 K424 D425 K430 S431 Q434 T438 I439W379-N428 HydrophobicContact CB-CB 4.33Å; W379-N428 HydrophobicContact CD2-CB 3.41Å; W379-N428 VanDerWaalsContact CD2-CB 3.41Å; W379-N428 HydrophobicContact CE3-CB 3.94Å; W379-N428 HydrophobicContact CG-CB 3.58Å; W379-N428 HydrophobicContact CZ2-CB 4.15Å; K424-N428 PolarHBondContact O-N 3.14Å; K424-N428 PolarHBondContact O-ND2 3.49Å; D425-N428 PolarHBondContact O-N 3.04Å; N428-K430 PolarHBondContact O-N 2.89Å; N428-K430 VanDerWaalsContact O-N 3.13Å; N428-S431 PolarHBondContact O-N 2.99Å; N428-Q434 WeakPolarHBondContact O-CG 3.33Å; N428-T438 WeakPolarHBondContact OD1-CA 3.49Å; N428-I439 PolarHBondContact ND2-O 3.46Å; N428-I439 PolarHBondContact OD1-N 2.89Å
429R98.2Very high98.1Very high93 Ų9315.6 Ų15.635%0.3518%0.079SC..Hα-helixtrans-57.9-30.1-178.9-168.5176.3-66.8117.4-2.4113.7D352 W379 D425 Q434D352-R429 IonicContact OD2-CZ 2.72Å; D352-R429 IonicContact OD2-NH1 2.74Å; D352-R429 PolarHBondContact OD2-NH1 2.96Å; D352-R429 VanDerWaalsContact OD2-NH1 3.07Å; D352-R429 IonicContact OD2-NH2 3.13Å; W379-R429 HydrophobicContact CE3-CB 4.4Å; W379-R429 VanDerWaalsContact CH2-CA 3.42Å; W379-R429 HydrophobicContact CH2-CB 3.77Å; W379-R429 HydrophobicContact CH2-CG 4.14Å; W379-R429 HydrophobicContact CZ3-CB 3.48Å; W379-R429 VanDerWaalsContact CZ3-CB 3.48Å; W379-R429 HydrophobicContact CZ3-CG 3.99Å; D425-R429 WeakPolarHBondContact O-CB 3.11Å; D425-R429 PolarHBondContact O-N 3.43Å; R429-Q434 PolarHBondContact O-NE2 2.99Å
430K98.2Very high98.1Very high19 Ų1917.2 Ų17.28%0.0839%0.085CC..THydrogen-bonded Turntrans-116.328.5-172.1-55171.2172.9-173.60112.3S426 N428 Q584 M587 W588 G753 K755S426-K430 WeakPolarHBondContact O-CB 3.49Å; S426-K430 PolarHBondContact O-N 3.36Å; N428-K430 PolarHBondContact O-N 2.89Å; N428-K430 VanDerWaalsContact O-N 3.13Å; K430-Q584 PolarHBondContact O-NE2 2.89Å; K430-Q584 PolarHBondContact O-OE1 3.41Å; K430-Q584 VanDerWaalsContact O-OE1 3.12Å; K430-M587 VanDerWaalsContact CA-SD 3.57Å; K430-M587 HydrophobicContact CB-CB 4.33Å; K430-M587 HydrophobicContact CG-CB 4.3Å; K430-W588 HydrophobicContact CD-CD2 4.16Å; K430-W588 HydrophobicContact CD-CH2 4.32Å; K430-W588 HydrophobicContact CD-CZ2 3.64Å; K430-W588 VanDerWaalsContact NZ-CH2 3.32Å; K430-W588 VanDerWaalsContact NZ-CZ3 3.27Å; K430-G753 PolarHBondContact NZ-O 3.28Å; K430-K755 VanDerWaalsContact CB-CE 3.5Å; K430-K755 WeakPolarHBondContact O-CE 3.34Å; K430-K755 PolarHBondContact O-NZ 2.89Å
431S98.3Very high98.1Very high0 Ų017.3 Ų17.30%09%0.085CC..  trans-111.4147176.7177.30000111.3C427 N428 H433 Q434 I439C427-S431 VanDerWaalsContact O-CB 3.24Å; C427-S431 WeakPolarHBondContact O-CB 3.2Å; N428-S431 PolarHBondContact O-N 2.99Å; S431-H433 PolarHBondContact O-N 2.92Å; S431-H433 PolarHBondContact OG-N 3.14Å; S431-H433 VanDerWaalsContact OG-N 3.07Å; S431-Q434 VanDerWaalsContact O-CG 3.25Å; S431-Q434 WeakPolarHBondContact O-CG 3.17Å; S431-Q434 PolarHBondContact O-NE2 3.32Å; S431-I439 WeakPolarHBondContact OG-CD1 3.19Å
432N98.5Very high98.1Very high4 Ų417.3 Ų17.32%0.0219%0.085CC..THydrogen-bonded Turntrans-75.1-4.3170.9-167.743.3000113.2H435 Y570 P577 V578 S618 L619N432-H435 PolarHBondContact O-CE1 3.31Å; N432-H435 PolarHBondContact O-ND1 3.37Å; N432-Y570 PolarHBondContact ND2-OH 2.91Å; N432-Y570 VanDerWaalsContact ND2-OH 3.13Å; N432-P577 WeakPolarHBondContact O-CD 3.45Å; N432-P577 WeakPolarHBondContact OD1-CD 3.44Å; N432-V578 VanDerWaalsContact ND2-CG2 3.32Å; N432-V578 WeakPolarHBondContact ND2-CG2 3.18Å; N432-V578 WeakPolarHBondContact OD1-CG1 3.41Å; N432-V578 VanDerWaalsContact OD1-CG2 3.3Å; N432-V578 WeakPolarHBondContact OD1-CG2 3.22Å; N432-V578 PolarHBondContact OD1-N 2.64Å; N432-V578 VanDerWaalsContact OD1-N 3.09Å; N432-S618 WeakPolarHBondContact CB-O 3.26Å; N432-S618 PolarHBondContact ND2-O 2.89Å; N432-L619 HydrophobicContact CB-CD2 4Å
433H98.2Very high98.1Very high2 Ų217.3 Ų17.31%0.0099%0.085CC..THydrogen-bonded Turntrans-95.110.3178.7-74.3-161.1000113.7S431 H435 L436 I439 Y451 S618 L619S431-H433 PolarHBondContact O-N 2.92Å; S431-H433 PolarHBondContact OG-N 3.14Å; S431-H433 VanDerWaalsContact OG-N 3.07Å; H433-H435 PolarHBondContact O-N 3.33Å; H433-L436 HydrophobicContact CB-CD1 3.9Å; H433-L436 HydrophobicContact CB-CG 4.44Å; H433-L436 WeakPolarHBondContact O-CB 3.4Å; H433-L436 PolarHBondContact O-N 3.41Å; H433-I439 HydrophobicContact CB-CD1 4.19Å; H433-Y451 PolarHBondContact ND1-N 3.39Å; H433-S618 VanDerWaalsContact NE2-CB 3.32Å; H433-S618 WeakPolarHBondContact NE2-CB 3.26Å; H433-S618 PolarHBondContact NE2-OG 3.3Å; H433-S618 VanDerWaalsContact NE2-OG 3.09Å; H433-L619 WeakPolarHBondContact NE2-CD1 3.24Å
434Q95.7Very high97.9Very high69 Ų6918.2 Ų18.232%0.3229%0.09SC..THydrogen-bonded Turntrans-50.8-28.6-179.9-80.9172.764.600114.6N428 R429 S431 P577N428-Q434 WeakPolarHBondContact O-CG 3.33Å; R429-Q434 PolarHBondContact O-NE2 2.99Å; S431-Q434 VanDerWaalsContact O-CG 3.25Å; S431-Q434 WeakPolarHBondContact O-CG 3.17Å; S431-Q434 PolarHBondContact O-NE2 3.32Å; Q434-P577 HydrophobicContact CB-CG 4.18Å
435H97.5Very high97.7Very high59 Ų5919.4 Ų19.427%0.27310%0.098SC..THydrogen-bonded Turntrans-84.5-11-177.666.7-57.8000114.3N432 H433 S572 G575 S576N432-H435 PolarHBondContact O-CE1 3.31Å; N432-H435 PolarHBondContact O-ND1 3.37Å; H433-H435 PolarHBondContact O-N 3.33Å; H435-S572 PolarHBondContact NE2-O 2.66Å; H435-G575 WeakPolarHBondContact CB-O 3.2Å; H435-S576 VanDerWaalsContact CE1-CB 3.49Å; H435-S576 WeakPolarHBondContact CE1-CB 2.81Å; H435-S576 WeakPolarHBondContact ND1-CA 3.41Å
436L97.7Very high97.6Very high31 Ų3119.3 Ų19.316%0.16210%0.097CC..THydrogen-bonded Turntrans-86.2-34.8-178.8-57.7178000111.8H433 Y451 H515H433-L436 HydrophobicContact CB-CD1 3.9Å; H433-L436 HydrophobicContact CB-CG 4.44Å; H433-L436 WeakPolarHBondContact O-CB 3.4Å; H433-L436 PolarHBondContact O-N 3.41Å; L436-Y451 HydrophobicContact CB-CD1 3.83Å; L436-Y451 HydrophobicContact CB-CD2 3.99Å; L436-Y451 HydrophobicContact CB-CE1 4.26Å; L436-Y451 HydrophobicContact CB-CE2 4.42Å; L436-Y451 HydrophobicContact CB-CG 3.68Å; L436-Y451 HydrophobicContact CD1-CD1 4.17Å; L436-Y451 HydrophobicContact CD1-CG 4.16Å; L436-H515 WeakPolarHBondContact CD1-CE1 2.81Å; L436-H515 WeakPolarHBondContact CD1-ND1 3.41Å
437G97Very high97.6Very high28 Ų2819.2 Ų19.229%0.28910%0.096SC..  trans144.3-170.7-176.600000111.1
438T98.2Very high97.6Very high13 Ų1319.2 Ų19.28%0.0810%0.096CC..  trans-79.1123.1-177.5-60.80000111.3P376 E377 W379 N428P376-T438 WeakPolarHBondContact O-CG2 3.02Å; E377-T438 VanDerWaalsContact C-OG1 3.31Å; E377-T438 WeakPolarHBondContact O-CB 3.47Å; E377-T438 PolarHBondContact O-OG1 2.9Å; W379-T438 HydrophobicContact CB-CG2 4.43Å; N428-T438 WeakPolarHBondContact OD1-CA 3.49Å
439I98.5Very high97.6Very high1 Ų119.1 Ų19.11%0.00510%0.096CC..  trans-73.1127.1169.5-57.7170.4000108.8W349 N428 S431 H433 C441 V449 E450W349-I439 HydrophobicContact CH2-CG2 4.21Å; W349-I439 HydrophobicContact CZ2-CB 4.48Å; W349-I439 HydrophobicContact CZ2-CG2 3.93Å; W349-I439 WeakPolarHBondContact CZ2-O 3.26Å; W349-I439 PolarHBondContact NE1-O 3.42Å; N428-I439 PolarHBondContact ND2-O 3.46Å; N428-I439 PolarHBondContact OD1-N 2.89Å; S431-I439 WeakPolarHBondContact OG-CD1 3.19Å; H433-I439 HydrophobicContact CB-CD1 4.19Å; I439-C441 WeakPolarHBondContact CG2-O 3.08Å; I439-V449 HydrophobicContact CD1-CG1 3.86Å; I439-V449 HydrophobicContact CG2-CG1 3.81Å; I439-E450 VanDerWaalsContact CG2-O 3.24Å; I439-E450 WeakPolarHBondContact CG2-O 3.42Å
440R97.9Very high97.6Very high35 Ų3514.7 Ų14.713%0.1328%0.079CC..  trans-110.9-13.1-169.4-65.2177.1-170.8-165.6-1.6114.6N267 H269 P376 E377N267-R440 HydrophobicContact CB-CB 4.03Å; H269-R440 PolarHBondContact NE2-O 3.15Å; P376-R440 PolarHBondContact O-NE 3.49Å; E377-R440 VanDerWaalsContact CG-NH2 3.25Å; E377-R440 IonicContact OE1-CZ 3.92Å; E377-R440 VanDerWaalsContact OE1-CZ 3.24Å; E377-R440 IonicContact OE1-NH1 3.12Å; E377-R440 PolarHBondContact OE1-NH1 3Å; E377-R440 VanDerWaalsContact OE1-NH1 3.13Å; E377-R440 IonicContact OE1-NH2 3.26Å; E377-R440 PolarHBondContact OE1-NH2 3.26Å
441C98.3Very high97.6Very high1 Ų115.9 Ų15.91%0.0078%0.084CC..  trans-158.2177.4178.159.20000111.6N267 Y316 W349 I439N267-C441 HydrophobicContact CB-CB 3.98Å; Y316-C441 HydrophobicContact CD1-CB 3.92Å; Y316-C441 HydrophobicContact CD2-CB 3.62Å; Y316-C441 HydrophobicContact CE1-CB 4.5Å; Y316-C441 HydrophobicContact CE2-CB 4.24Å; Y316-C441 HydrophobicContact CG-CB 3.44Å; Y316-C441 VanDerWaalsContact CG-CB 3.44Å; W349-C441 VanDerWaalsContact CZ3-C 3.5Å; I439-C441 WeakPolarHBondContact CG2-O 3.08Å
442S98.4Very high97.6Very high0 Ų016 Ų160%08%0.084CC..  trans-118.7177.9167.2-176.80000110Y316 T446 I448Y316-S442 WeakPolarHBondContact CE2-O 3.21Å; Y316-S442 WeakPolarHBondContact OH-CB 3.3Å; S442-T446 VanDerWaalsContact OG-CA 3.28Å; S442-T446 WeakPolarHBondContact OG-CA 3.27Å; S442-I448 WeakPolarHBondContact CA-O 3.4Å; S442-I448 WeakPolarHBondContact CB-O 3.22Å; S442-I448 PolarHBondContact OG-O 3.26Å
443N97.1Very high97.5Very high0 Ų016.1 Ų16.10%09%0.086CC..  trans-72.2-179.2170.568.3-36.6000111.6C234 L236 Y316 C445 T446 E447 I448C234-N443 HydrophobicContact CB-CB 3.87Å; L236-N443 HydrophobicContact CD1-CB 3.72Å; L236-N443 HydrophobicContact CG-CB 4.43Å; Y316-N443 PolarHBondContact OH-O 2.71Å; N443-C445 PolarHBondContact ND2-N 2.86Å; N443-C445 PolarHBondContact O-N 3.32Å; N443-T446 PolarHBondContact O-N 3.28Å; N443-T446 PolarHBondContact OD1-N 3.45Å; N443-T446 VanDerWaalsContact OD1-N 3.07Å; N443-E447 PolarHBondContact ND2-OE1 2.82Å; N443-E447 PolarHBondContact ND2-OE2 3.31Å; N443-E447 PolarHBondContact OD1-N 2.93Å; N443-E447 PolarHBondContact OD1-OE2 2.84Å; N443-E447 VanDerWaalsContact OD1-OE2 3.05Å; N443-I448 HydrophobicContact CB-CB 3.99Å; N443-I448 HydrophobicContact CB-CG1 4.29Å; N443-I448 PolarHBondContact N-O 2.87Å; N443-I448 WeakPolarHBondContact OD1-CB 3.42Å; N443-I448 PolarHBondContact OD1-N 3.14Å
444L94.4Very high97.5Very high20 Ų2018.9 Ų18.911%0.10510%0.103CC..THydrogen-bonded Turntrans-55.3-35173.9174.865.5000113.7A312 A314 F345 F420 Y759A312-L444 HydrophobicContact CB-CD2 3.52Å; A314-L444 HydrophobicContact CB-CB 4.35Å; A314-L444 HydrophobicContact CB-CD1 3.88Å; F345-L444 HydrophobicContact CB-CD1 3.85Å; F345-L444 HydrophobicContact CD1-CD1 3.98Å; F345-L444 HydrophobicContact CD2-CD1 3.56Å; F345-L444 HydrophobicContact CE2-CD1 4.12Å; F345-L444 HydrophobicContact CG-CD1 3.51Å; F420-L444 HydrophobicContact CE2-CD1 4.31Å; F420-L444 VanDerWaalsContact CE2-O 3.23Å; F420-L444 WeakPolarHBondContact CE2-O 3.48Å; F420-L444 HydrophobicContact CZ-CD1 4.5Å; L444-Y759 WeakPolarHBondContact O-CE2 3.29Å; L444-Y759 PolarHBondContact O-OH 2.91Å
445C95.2Very high97.5Very high24 Ų2419.1 Ų19.116%0.16211%0.107CC..THydrogen-bonded Turntrans-94.61-173-67.60000113.5N443 E447 P625 S729N443-C445 PolarHBondContact ND2-N 2.86Å; N443-C445 PolarHBondContact O-N 3.32Å; C445-E447 VanDerWaalsContact CA-OE2 3.27Å; C445-E447 WeakPolarHBondContact CA-OE2 3.34Å; C445-E447 WeakPolarHBondContact CB-OE2 3.47Å; C445-E447 PolarHBondContact O-N 3.34Å; C445-P625 HydrophobicContact CB-CG 4.03Å; C445-S729 VanDerWaalsContact O-CB 3.32Å; C445-S729 WeakPolarHBondContact O-CB 3.25Å; C445-S729 PolarHBondContact O-OG 2.75Å
446T97.6Very high97.5Very high0 Ų016.5 Ų16.50%010%0.095CC..SBendtrans66.211.1174.371.30000116.4F420 L422 S442 N443 S727 T756 Y759F420-T446 HydrophobicContact CB-CG2 4.13Å; F420-T446 HydrophobicContact CD2-CG2 3.63Å; F420-T446 HydrophobicContact CE2-CG2 4.34Å; F420-T446 HydrophobicContact CG-CG2 4.11Å; L422-T446 HydrophobicContact CD1-CG2 3.81Å; L422-T446 HydrophobicContact CD2-CG2 4.22Å; L422-T446 HydrophobicContact CG-CG2 4.43Å; S442-T446 VanDerWaalsContact OG-CA 3.28Å; S442-T446 WeakPolarHBondContact OG-CA 3.27Å; N443-T446 PolarHBondContact O-N 3.28Å; N443-T446 PolarHBondContact OD1-N 3.45Å; N443-T446 VanDerWaalsContact OD1-N 3.07Å; T446-S727 WeakPolarHBondContact O-CB 3.46Å; T446-T756 PolarHBondContact O-OG1 2.87Å; T446-Y759 HydrophobicContact CG2-CD2 3.61Å; T446-Y759 HydrophobicContact CG2-CE2 4.27Å; T446-Y759 HydrophobicContact CG2-CG 4.3Å; T446-Y759 WeakPolarHBondContact OG1-CB 3.06Å
447E98.2Very high97.6Very high2 Ų215.1 Ų15.11%0.0099%0.088CC..  trans-96.5-19.5177.481-73.7-168.200113.4N443 C445 A622 P623 M624 Q726 S727N443-E447 PolarHBondContact ND2-OE1 2.82Å; N443-E447 PolarHBondContact ND2-OE2 3.31Å; N443-E447 PolarHBondContact OD1-N 2.93Å; N443-E447 PolarHBondContact OD1-OE2 2.84Å; N443-E447 VanDerWaalsContact OD1-OE2 3.05Å; C445-E447 VanDerWaalsContact CA-OE2 3.27Å; C445-E447 WeakPolarHBondContact CA-OE2 3.34Å; C445-E447 WeakPolarHBondContact CB-OE2 3.47Å; C445-E447 PolarHBondContact O-N 3.34Å; E447-A622 HydrophobicContact CB-CB 4.4Å; E447-A622 HydrophobicContact CG-CB 3.98Å; E447-P623 WeakPolarHBondContact CB-O 3.23Å; E447-M624 HydrophobicContact CG-CB 3.82Å; E447-M624 WeakPolarHBondContact OE1-CB 3.38Å; E447-Q726 VanDerWaalsContact O-CB 3.31Å; E447-Q726 WeakPolarHBondContact O-CB 3.42Å; E447-S727 CarbonylContact O-C 3.59Å; E447-S727 VanDerWaalsContact O-C 3.3Å; E447-S727 WeakPolarHBondContact O-CA 3.41Å; E447-S727 PolarHBondContact O-N 3.01Å; E447-S727 VanDerWaalsContact O-O 3.11Å
448I98.4Very high97.6Very high0 Ų013.8 Ų13.80%07%0.074CC..  trans-101.6121.4-176.1-56.4-61.6000110.5L236 S442 N443 E450 C460 L462 A622 Q726L236-I448 HydrophobicContact CD1-CB 4.24Å; L236-I448 HydrophobicContact CD1-CG2 3.66Å; L236-I448 HydrophobicContact CD2-CG2 4.18Å; S442-I448 WeakPolarHBondContact CA-O 3.4Å; S442-I448 WeakPolarHBondContact CB-O 3.22Å; S442-I448 PolarHBondContact OG-O 3.26Å; N443-I448 HydrophobicContact CB-CB 3.99Å; N443-I448 HydrophobicContact CB-CG1 4.29Å; N443-I448 PolarHBondContact N-O 2.87Å; N443-I448 WeakPolarHBondContact OD1-CB 3.42Å; N443-I448 PolarHBondContact OD1-N 3.14Å; I448-E450 HydrophobicContact CG2-CB 4.4Å; I448-E450 HydrophobicContact CG2-CG 3.7Å; I448-E450 WeakPolarHBondContact CG2-OE1 2.83Å; I448-C460 HydrophobicContact CD1-CB 4.16Å; I448-C460 WeakPolarHBondContact CD1-SG 3.27Å; I448-C460 HydrophobicContact CG1-CB 3.89Å; I448-C460 WeakPolarHBondContact CG1-SG 3.32Å; I448-C460 HydrophobicContact CG2-CB 4.39Å; I448-L462 HydrophobicContact CD1-CD2 4.11Å; I448-A622 HydrophobicContact CD1-CB 3.67Å; I448-Q726 VanDerWaalsContact CA-OE1 3.25Å; I448-Q726 VanDerWaalsContact CD1-OE1 3.25Å
449V98.2Very high97.6Very high0 Ų013.2 Ų13.20%07%0.07CC..  trans-131.589.6-178.7177.30000107.5W349 C427 I439W349-V449 HydrophobicContact CH2-CG1 4.24Å; W349-V449 HydrophobicContact CH2-CG2 4.47Å; C427-V449 HydrophobicContact CB-CG1 3.77Å; I439-V449 HydrophobicContact CD1-CG1 3.86Å; I439-V449 HydrophobicContact CG2-CG1 3.81Å
450E98.4Very high97.5Very high1 Ų113.1 Ų13.11%0.0057%0.07CC..  trans-125.7157.7-173.3-64.9178.5-168.100109.9L236 I439 I448 A458 V459 P517 L619 Q726L236-E450 HydrophobicContact CD2-CB 4.49Å; I439-E450 VanDerWaalsContact CG2-O 3.24Å; I439-E450 WeakPolarHBondContact CG2-O 3.42Å; I448-E450 HydrophobicContact CG2-CB 4.4Å; I448-E450 HydrophobicContact CG2-CG 3.7Å; I448-E450 WeakPolarHBondContact CG2-OE1 2.83Å; E450-A458 HydrophobicContact CB-CB 3.48Å; E450-A458 VanDerWaalsContact CB-CB 3.48Å; E450-A458 HydrophobicContact CG-CB 4.42Å; E450-A458 VanDerWaalsContact OE2-CB 3.26Å; E450-A458 WeakPolarHBondContact OE2-CB 3.31Å; E450-V459 PolarHBondContact OE2-N 2.96Å; E450-V459 VanDerWaalsContact OE2-N 3.13Å; E450-P517 HydrophobicContact CG-CB 4.42Å; E450-P517 WeakPolarHBondContact OE1-CB 3.39Å; E450-P517 WeakPolarHBondContact OE2-CG 3.12Å; E450-L619 HydrophobicContact CG-CD1 3.73Å; E450-Q726 PolarHBondContact OE1-NE2 2.72Å; E450-Q726 PolarHBondContact OE1-OE1 2.82Å
451Y98.3Very high97.4Very high44 Ų4411.5 Ų11.517%0.1736%0.064CC..  trans-75.3138178.1174.8-99.5000109.4H433 L436 A458H433-Y451 PolarHBondContact ND1-N 3.39Å; L436-Y451 HydrophobicContact CB-CD1 3.83Å; L436-Y451 HydrophobicContact CB-CD2 3.99Å; L436-Y451 HydrophobicContact CB-CE1 4.26Å; L436-Y451 HydrophobicContact CB-CE2 4.42Å; L436-Y451 HydrophobicContact CB-CG 3.68Å; L436-Y451 HydrophobicContact CD1-CD1 4.17Å; L436-Y451 HydrophobicContact CD1-CG 4.16Å; Y451-A458 WeakPolarHBondContact O-CB 3.45Å
452S97.8Very high97.4Very high1 Ų111.9 Ų11.91%0.0077%0.066CC..  trans-143.3146.5175.463.40000110.5L236 T238 E456L236-S452 WeakPolarHBondContact O-CB 3.26Å; T238-S452 PolarHBondContact OG1-O 2.94Å; T238-S452 PolarHBondContact OG1-OG 2.86Å; S452-E456 WeakPolarHBondContact CA-O 3.35Å; S452-E456 WeakPolarHBondContact CB-O 3.25Å
453S97.5Very high97.4Very high8 Ų812 Ų126%0.0567%0.067CC..BIsolated β-bridgetrans-144.3173-178.158.50000109.7D455 E456S453-D455 VanDerWaalsContact CB-OD1 3.29Å; S453-D455 WeakPolarHBondContact CB-OD1 3.47Å; S453-D455 PolarHBondContact O-N 3.28Å; S453-D455 PolarHBondContact OG-OD1 3.47Å; S453-E456 PolarHBondContact N-O 2.83Å; S453-E456 CarbonylContact O-C 3.02Å; S453-E456 PolarHBondContact O-N 2.87Å; S453-E456 VanDerWaalsContact O-N 3.09Å; S453-E456 WeakPolarHBondContact OG-CB 3.21Å; S453-E456 PolarHBondContact OG-N 3.22Å
454P96.6Very high97.5Very high59 Ų5912.2 Ų12.238%0.3837%0.068SC..THydrogen-bonded Turntrans-53.7-22.1175.6-31.339.3000114.7K240K240-P454 HydrophobicContact CB-CB 4.28Å; K240-P454 WeakPolarHBondContact CE-O 3.38Å; K240-P454 HydrophobicContact CG-CB 4.18Å; K240-P454 WeakPolarHBondContact O-CG 3.38Å
455D96.6Very high97.7Very high75 Ų7511.2 Ų11.240%0.4016%0.063SC..THydrogen-bonded Turntrans-110.3-3.3-177.770.8-57.6000113.7S453 R510S453-D455 VanDerWaalsContact CB-OD1 3.29Å; S453-D455 WeakPolarHBondContact CB-OD1 3.47Å; S453-D455 PolarHBondContact O-N 3.28Å; S453-D455 PolarHBondContact OG-OD1 3.47Å; D455-R510 PolarHBondContact O-NH1 2.81Å
456E97.9Very high97.9Very high4 Ų410.2 Ų10.22%0.0196%0.056CC..BIsolated β-bridgetrans-137.4119.4179.9-64.9-159.3-138.400112.1S452 S453 S511 R514 H515S452-E456 WeakPolarHBondContact CA-O 3.35Å; S452-E456 WeakPolarHBondContact CB-O 3.25Å; S453-E456 PolarHBondContact N-O 2.83Å; S453-E456 CarbonylContact O-C 3.02Å; S453-E456 PolarHBondContact O-N 2.87Å; S453-E456 VanDerWaalsContact O-N 3.09Å; S453-E456 WeakPolarHBondContact OG-CB 3.21Å; S453-E456 PolarHBondContact OG-N 3.22Å; E456-S511 VanDerWaalsContact OE2-CA 3.25Å; E456-S511 WeakPolarHBondContact OE2-CA 3.39Å; E456-S511 WeakPolarHBondContact OE2-CB 3.31Å; E456-S511 PolarHBondContact OE2-OG 3.45Å; E456-R514 IonicContact OE1-CZ 3.17Å; E456-R514 IonicContact OE1-NH1 3.07Å; E456-R514 PolarHBondContact OE1-NH1 2.75Å; E456-H515 IonicContact OE1-NE2 2.68Å; E456-H515 IonicContact OE2-CD2 2.77Å; E456-H515 PolarHBondContact OE2-CD2 3.04Å; E456-H515 IonicContact OE2-NE2 3.9Å; E456-H515 PolarHBondContact OE2-NE2 3.01Å
457T98.4Very high97.9Very high2 Ų210.2 Ų10.21%0.0126%0.056CC..  trans-104.6115.2174.8-73.50000108.7F235 L236 I237 E253 I257 V459 E507 A508 S511F235-T457 HydrophobicContact CB-CG2 3.81Å; F235-T457 HydrophobicContact CD1-CG2 3.92Å; F235-T457 HydrophobicContact CG-CG2 4.35Å; L236-T457 CarbonylContact O-C 3.3Å; L236-T457 WeakPolarHBondContact O-CA 3.26Å; I237-T457 HydrophobicContact CG1-CG2 3.83Å; E253-T457 WeakPolarHBondContact OE1-CB 3.36Å; E253-T457 PolarHBondContact OE1-OG1 3.34Å; I257-T457 HydrophobicContact CD1-CG2 4.21Å; T457-V459 WeakPolarHBondContact O-CG2 3.42Å; T457-E507 PolarHBondContact N-O 3.41Å; T457-A508 HydrophobicContact CG2-CB 4.23Å; T457-A508 WeakPolarHBondContact O-CA 3.4Å; T457-S511 VanDerWaalsContact O-CB 3.28Å; T457-S511 WeakPolarHBondContact O-CB 3.37Å
458A98.2Very high97.9Very high0 Ų010.8 Ų10.80%06%0.063CC..EExtended strand (participates in β ladder)trans-68.7151.6-176.800000111.2F235 L236 E450 Y451F235-A458 VanDerWaalsContact CA-O 3.25Å; F235-A458 WeakPolarHBondContact CA-O 3.5Å; L236-A458 HydrophobicContact CB-CB 3.84Å; L236-A458 HydrophobicContact CD1-CB 4.49Å; L236-A458 PolarHBondContact N-O 2.99Å; L236-A458 PolarHBondContact O-N 3.35Å; E450-A458 HydrophobicContact CB-CB 3.48Å; E450-A458 VanDerWaalsContact CB-CB 3.48Å; E450-A458 HydrophobicContact CG-CB 4.42Å; E450-A458 VanDerWaalsContact OE2-CB 3.26Å; E450-A458 WeakPolarHBondContact OE2-CB 3.31Å; Y451-A458 WeakPolarHBondContact O-CB 3.45Å
459V97.4Very high97.9Very high0 Ų015.1 Ų15.10%08%0.082CC..EExtended strand (participates in β ladder)trans-135.8122.9-166.8-174.30000112S232 F235 E450 T457 N461 Y503 A508 N512S232-V459 VanDerWaalsContact OG-CG1 3.31Å; S232-V459 WeakPolarHBondContact OG-CG1 3.31Å; F235-V459 HydrophobicContact CD1-CG1 4.49Å; F235-V459 HydrophobicContact CD1-CG2 3.93Å; F235-V459 HydrophobicContact CE1-CG1 4.04Å; F235-V459 HydrophobicContact CE1-CG2 3.9Å; E450-V459 PolarHBondContact OE2-N 2.96Å; E450-V459 VanDerWaalsContact OE2-N 3.13Å; T457-V459 WeakPolarHBondContact O-CG2 3.42Å; V459-N461 PolarHBondContact O-ND2 3.16Å; V459-Y503 HydrophobicContact CG1-CE1 4.42Å; V459-Y503 HydrophobicContact CG2-CE1 4.32Å; V459-A508 HydrophobicContact CG2-CB 3.74Å; V459-A508 WeakPolarHBondContact CG2-O 3.34Å; V459-N512 HydrophobicContact CB-CB 4.03Å; V459-N512 HydrophobicContact CG2-CB 4.03Å
460C96Very high97.9Very high0 Ų015.2 Ų15.20%08%0.082CC..  trans-92.9112.5-176.2175.30000112.6S233 C234 I448 L462S233-C460 PolarHBondContact N-O 3.26Å; C234-C460 HydrophobicContact CB-CB 4.09Å; C234-C460 WeakPolarHBondContact O-CB 3.38Å; C234-C460 PolarHBondContact O-N 3.5Å; I448-C460 HydrophobicContact CD1-CB 4.16Å; I448-C460 WeakPolarHBondContact CD1-SG 3.27Å; I448-C460 HydrophobicContact CG1-CB 3.89Å; I448-C460 WeakPolarHBondContact CG1-SG 3.32Å; I448-C460 HydrophobicContact CG2-CB 4.39Å; C460-L462 WeakPolarHBondContact SG-CD1 3.36Å; C460-L462 WeakPolarHBondContact SG-CD2 3.39Å; C460-L462 WeakPolarHBondContact SG-CG 3.2Å
461N97.3Very high97.9Very high1 Ų116 Ų161%0.0059%0.087CC..  trans-110.5108.2178.4-53.1-67.7000110.6S232 V459 V497 N512 P517 G519S232-N461 PolarHBondContact OG-OD1 2.83Å; V459-N461 PolarHBondContact O-ND2 3.16Å; N461-V497 HydrophobicContact CB-CG1 4.35Å; N461-N512 PolarHBondContact ND2-ND2 3.19Å; N461-N512 VanDerWaalsContact ND2-ND2 3.1Å; N461-N512 PolarHBondContact ND2-OD1 3.47Å; N461-N512 VanDerWaalsContact ND2-OD1 3.13Å; N461-P517 PolarHBondContact ND2-O 3.46Å; N461-P517 VanDerWaalsContact ND2-O 3.12Å; N461-G519 PolarHBondContact O-N 3.09Å
462L97.9Very high97.9Very high9 Ų917 Ų175%0.04710%0.095CC..EExtended strand (participates in β ladder)trans-117.8143.3-161-67.8-173.2000115.5A217 I448 C460 G519 M624A217-L462 HydrophobicContact CB-CB 3.69Å; A217-L462 PolarHBondContact N-O 3.27Å; I448-L462 HydrophobicContact CD1-CD2 4.11Å; C460-L462 WeakPolarHBondContact SG-CD1 3.36Å; C460-L462 WeakPolarHBondContact SG-CD2 3.39Å; C460-L462 WeakPolarHBondContact SG-CG 3.2Å; L462-G519 WeakPolarHBondContact CA-O 3.41Å; L462-G519 WeakPolarHBondContact CD2-O 3.5Å; L462-M624 HydrophobicContact CB-CE 3.93Å; L462-M624 HydrophobicContact CD1-CB 4.12Å; L462-M624 HydrophobicContact CD1-CE 3.95Å; L462-M624 HydrophobicContact CD1-CG 4.08Å; L462-M624 HydrophobicContact CD2-CE 3.54Å; L462-M624 HydrophobicContact CG-CE 3.98Å
463A98.5Very high97.6Very high2 Ų223.9 Ų23.92%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-143158.3161.600000110.6T215 V490 L494 G519 G521 M624T215-A463 WeakPolarHBondContact O-CA 3.24Å; A463-V490 HydrophobicContact CB-CG1 3.59Å; A463-L494 HydrophobicContact CB-CD1 4.03Å; A463-L494 HydrophobicContact CB-CD2 4.05Å; A463-L494 HydrophobicContact CB-CG 4.25Å; A463-G519 PolarHBondContact N-O 3.38Å; A463-G519 VanDerWaalsContact N-O 3.16Å; A463-G521 PolarHBondContact O-N 2.93Å; A463-M624 WeakPolarHBondContact O-CE 3.39Å
464S98.7Very high97.4Very high4 Ų431 Ų313%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-127.6131.6177.760.50000111.2F214 T215 G521 Q523F214-S464 VanDerWaalsContact CA-O 3.3Å; F214-S464 WeakPolarHBondContact CA-O 3.43Å; F214-S464 WeakPolarHBondContact CB-O 3.46Å; T215-S464 PolarHBondContact N-O 3.39Å; T215-S464 PolarHBondContact O-N 3.1Å; S464-G521 WeakPolarHBondContact CA-O 3.22Å; S464-Q523 PolarHBondContact OG-NE2 3.33Å
465I98.9Very high97.3Very high0 Ų032.5 Ų32.50%016%0.163CC..EExtended strand (participates in β ladder)trans-87.4135.6176.8-63.7-178000110F214 L467 F470 L483 T487 V490 I520 G521 V522 Q523 M552F214-I465 HydrophobicContact CB-CG1 4.26Å; I465-L467 HydrophobicContact CG2-CD2 4.42Å; I465-L467 PolarHBondContact O-N 3.41Å; I465-F470 HydrophobicContact CG2-CD2 4.38Å; I465-F470 HydrophobicContact CG2-CE2 3.31Å; I465-F470 HydrophobicContact CG2-CZ 3.6Å; I465-L483 HydrophobicContact CD1-CD1 4.17Å; I465-L483 HydrophobicContact CG2-CD1 3.88Å; I465-T487 HydrophobicContact CD1-CG2 4.49Å; I465-T487 VanDerWaalsContact CD1-OG1 3.3Å; I465-T487 WeakPolarHBondContact CD1-OG1 3.41Å; I465-V490 HydrophobicContact CG1-CG2 4.48Å; I465-I520 HydrophobicContact CD1-CG2 3.98Å; I465-I520 HydrophobicContact CG1-CG2 4.19Å; I465-G521 PolarHBondContact N-O 3.45Å; I465-V522 CarbonylContact O-C 3.59Å; I465-V522 WeakPolarHBondContact O-CA 3.13Å; I465-Q523 WeakPolarHBondContact O-CG 2.92Å; I465-Q523 PolarHBondContact O-N 3.3Å; I465-M552 HydrophobicContact CD1-CE 3.96Å; I465-M552 HydrophobicContact CD1-CG 4.41Å; I465-M552 HydrophobicContact CD1-SD 4.37Å
466S98.6Very high97.3Very high2 Ų232.7 Ų32.71%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-88.391.7-177.5176.90000111.4K212 W213 G468 K469 F470 N635K212-S466 WeakPolarHBondContact O-CB 3.49Å; W213-S466 PolarHBondContact O-N 3.1Å; S466-G468 VanDerWaalsContact C-N 3.31Å; S466-G468 PolarHBondContact O-N 2.83Å; S466-K469 WeakPolarHBondContact O-CB 3.33Å; S466-K469 PolarHBondContact O-N 2.9Å; S466-F470 WeakPolarHBondContact O-CD2 3.38Å; S466-F470 VanDerWaalsContact O-CE2 3.32Å; S466-F470 WeakPolarHBondContact O-CE2 3.38Å; S466-N635 PolarHBondContact OG-ND2 2.92Å
467L98.8Very high97.3Very high0 Ų035.7 Ų35.70%018%0.182CC..G310 helixtrans-61.5-34.2-168.3-64.7177.2000114.2I465 K469 F470 F478 V522 Q523 L525 A528 I548I465-L467 HydrophobicContact CG2-CD2 4.42Å; I465-L467 PolarHBondContact O-N 3.41Å; L467-K469 PolarHBondContact O-N 3.16Å; L467-K469 VanDerWaalsContact O-N 3.08Å; L467-F470 PolarHBondContact O-N 3.23Å; L467-F470 VanDerWaalsContact O-N 3.11Å; L467-F478 HydrophobicContact CD2-CZ 4.25Å; L467-V522 HydrophobicContact CD1-CB 3.7Å; L467-V522 HydrophobicContact CD1-CG1 4.04Å; L467-V522 HydrophobicContact CD1-CG2 3.86Å; L467-V522 HydrophobicContact CD2-CB 4.29Å; L467-V522 HydrophobicContact CD2-CG1 3.98Å; L467-V522 HydrophobicContact CG-CB 3.89Å; L467-V522 HydrophobicContact CG-CG1 4.14Å; L467-Q523 PolarHBondContact N-O 2.92Å; L467-L525 HydrophobicContact CD1-CB 3.97Å; L467-L525 HydrophobicContact CD1-CD1 3.59Å; L467-L525 HydrophobicContact CD1-CG 4.4Å; L467-A528 HydrophobicContact CB-CB 4.01Å; L467-I548 HydrophobicContact CD1-CD1 4.21Å; L467-I548 HydrophobicContact CD1-CG2 4.32Å; L467-I548 HydrophobicContact CD2-CD1 4.32Å; L467-I548 HydrophobicContact CD2-CG2 3.67Å
468G97.8Very high97.4Very high15 Ų1536.5 Ų36.516%0.15519%0.186CC..G310 helixtrans-59.3-21.2176.700000114.3S466 F470S466-G468 VanDerWaalsContact C-N 3.31Å; S466-G468 PolarHBondContact O-N 2.83Å; G468-F470 VanDerWaalsContact C-N 3.3Å; G468-F470 PolarHBondContact O-N 3.44Å
469K97.7Very high97.4Very high90 Ų9040.1 Ų40.139%0.39121%0.205SC..G310 helixtrans-73.8-19.5178.4-75.9-69.1-59.2-176.60114.1E211 W213 S466 L467 V471E211-K469 VanDerWaalsContact O-CE 3.24Å; E211-K469 WeakPolarHBondContact O-CE 3.19Å; E211-K469 PolarHBondContact O-NZ 2.94Å; W213-K469 HydrophobicContact CD2-CB 4.49Å; W213-K469 HydrophobicContact CE3-CB 3.75Å; W213-K469 HydrophobicContact CZ3-CB 3.9Å; W213-K469 VanDerWaalsContact CZ3-O 3.26Å; W213-K469 WeakPolarHBondContact CZ3-O 3.48Å; S466-K469 WeakPolarHBondContact O-CB 3.33Å; S466-K469 PolarHBondContact O-N 2.9Å; L467-K469 PolarHBondContact O-N 3.16Å; L467-K469 VanDerWaalsContact O-N 3.08Å; K469-V471 VanDerWaalsContact C-N 3.34Å
470F98.7Very high97.4Very high3 Ų341.6 Ų41.61%0.01321%0.212CC..G310 helixtrans-92.1-0.7-178.6-57.2-91000112.1W213 I465 S466 L467 G468 F478 D479 K482 L483 V486W213-F470 HydrophobicContact CE3-CD1 4.23Å; W213-F470 AromaticContact CE3-CE1 3.78Å; W213-F470 HydrophobicContact CE3-CE1 3.78Å; W213-F470 HydrophobicContact CE3-CE2 4.27Å; W213-F470 AromaticContact CE3-CZ 3.82Å; W213-F470 HydrophobicContact CE3-CZ 3.82Å; W213-F470 HydrophobicContact CZ3-CD1 4.02Å; W213-F470 HydrophobicContact CZ3-CE1 4.02Å; W213-F470 HydrophobicContact CZ3-CG 4.43Å; W213-F470 HydrophobicContact CZ3-CZ 4.43Å; I465-F470 HydrophobicContact CG2-CD2 4.38Å; I465-F470 HydrophobicContact CG2-CE2 3.31Å; I465-F470 HydrophobicContact CG2-CZ 3.6Å; S466-F470 WeakPolarHBondContact O-CD2 3.38Å; S466-F470 VanDerWaalsContact O-CE2 3.32Å; S466-F470 WeakPolarHBondContact O-CE2 3.38Å; L467-F470 PolarHBondContact O-N 3.23Å; L467-F470 VanDerWaalsContact O-N 3.11Å; G468-F470 VanDerWaalsContact C-N 3.3Å; G468-F470 PolarHBondContact O-N 3.44Å; F470-F478 HydrophobicContact CB-CD1 4.25Å; F470-F478 HydrophobicContact CB-CD2 4.3Å; F470-F478 HydrophobicContact CB-CE1 3.71Å; F470-F478 HydrophobicContact CB-CE2 3.79Å; F470-F478 HydrophobicContact CB-CZ 3.46Å; F470-F478 VanDerWaalsContact CB-CZ 3.46Å; F470-F478 HydrophobicContact CD2-CZ 4.34Å; F470-F478 HydrophobicContact CG-CE1 4.32Å; F470-F478 HydrophobicContact CG-CZ 4.05Å; F470-F478 CarbonylContact O-C 3.33Å; F470-F478 WeakPolarHBondContact O-CA 2.99Å; F470-D479 PolarHBondContact O-N 2.78Å; F470-K482 HydrophobicContact CD1-CB 4.08Å; F470-K482 HydrophobicContact CD1-CG 4.15Å; F470-K482 HydrophobicContact CE1-CB 4.23Å; F470-K482 HydrophobicContact CE1-CG 3.97Å; F470-L483 HydrophobicContact CD1-CB 3.93Å; F470-L483 VanDerWaalsContact CE1-CA 3.41Å; F470-L483 HydrophobicContact CE1-CB 4.01Å; F470-L483 HydrophobicContact CE1-CD1 4.17Å; F470-L483 HydrophobicContact CE2-CD1 4.29Å; F470-L483 HydrophobicContact CZ-CD1 4.04Å; F470-V486 HydrophobicContact CE1-CB 4.29Å; F470-V486 HydrophobicContact CE1-CG2 4.05Å; F470-V486 HydrophobicContact CZ-CB 4.12Å; F470-V486 HydrophobicContact CZ-CG1 4.26Å; F470-V486 HydrophobicContact CZ-CG2 4.11Å
471V98.6Very high97.5Very high16 Ų1644.9 Ų44.910%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-88.2122.4176.6179.30000110.2K469 T477 F478 A528 L531 L532K469-V471 VanDerWaalsContact C-N 3.34Å; V471-T477 WeakPolarHBondContact CA-O 3.49Å; V471-F478 HydrophobicContact CG2-CD2 3.94Å; V471-F478 HydrophobicContact CG2-CE2 4.36Å; V471-A528 HydrophobicContact CG2-CB 4.06Å; V471-L531 HydrophobicContact CB-CB 4.21Å; V471-L531 HydrophobicContact CB-CD1 4.32Å; V471-L531 HydrophobicContact CG1-CB 3.75Å; V471-L531 HydrophobicContact CG2-CB 4.34Å; V471-L532 HydrophobicContact CG1-CD2 3.66Å; V471-L532 HydrophobicContact CG1-CG 3.79Å; V471-L532 HydrophobicContact CG2-CD1 4.1Å; V471-L532 HydrophobicContact CG2-CD2 4.48Å; V471-L532 HydrophobicContact CG2-CG 3.99Å
472N97.1Very high97.6Very high66 Ų6646.8 Ų46.835%0.35325%0.247SC..EExtended strand (participates in β ladder)trans-85.8113.5165.4-177.2-26.2000109.1D474 N475 L476 T477N472-D474 VanDerWaalsContact C-N 3.32Å; N472-D474 PolarHBondContact O-N 3.44Å; N472-D474 WeakPolarHBondContact OD1-CB 3.24Å; N472-D474 PolarHBondContact OD1-N 3.29Å; N472-N475 VanDerWaalsContact CB-OD1 3.26Å; N472-N475 WeakPolarHBondContact CB-OD1 2.96Å; N472-N475 PolarHBondContact O-OD1 3.01Å; N472-N475 PolarHBondContact OD1-OD1 2.83Å; N472-L476 VanDerWaalsContact O-CA 3.23Å; N472-L476 WeakPolarHBondContact O-CA 3.3Å; N472-L476 PolarHBondContact O-N 3.38Å; N472-T477 PolarHBondContact N-O 3.38Å; N472-T477 PolarHBondContact O-N 2.88Å
473R91.7Very high97.6Very high145 Ų14546.4 Ų46.455%0.54725%0.245SC..THydrogen-bonded Turntrans-74.7-19.5-176.1-64.5176.969.2-179.77.9113.6L531R473-L531 HydrophobicContact CG-CD2 4.19Å
474D93.9Very high97.6Very high159 Ų15948.5 Ų48.585%0.8526%0.255SS*.THydrogen-bonded Turntrans-80.2-37.1-175.1-60.7-28000111.1N472N472-D474 VanDerWaalsContact C-N 3.32Å; N472-D474 PolarHBondContact O-N 3.44Å; N472-D474 WeakPolarHBondContact OD1-CB 3.24Å; N472-D474 PolarHBondContact OD1-N 3.29Å
475N95.7Very high97.6Very high90 Ų9052.4 Ų52.448%0.48127%0.272SS..THydrogen-bonded Turntrans-114.93.1179.768.55.9000113.9N472 T477N472-N475 VanDerWaalsContact CB-OD1 3.26Å; N472-N475 WeakPolarHBondContact CB-OD1 2.96Å; N472-N475 PolarHBondContact O-OD1 3.01Å; N472-N475 PolarHBondContact OD1-OD1 2.83Å; N475-T477 VanDerWaalsContact C-N 3.34Å; N475-T477 HydrophobicContact CB-CG2 4.46Å; N475-T477 VanDerWaalsContact CG-OG1 3.26Å; N475-T477 PolarHBondContact ND2-OG1 3.49Å; N475-T477 PolarHBondContact O-N 3.12Å; N475-T477 WeakPolarHBondContact OD1-CB 3.35Å; N475-T477 PolarHBondContact OD1-N 2.9Å; N475-T477 PolarHBondContact OD1-OG1 3.41Å
476L96.6Very high97.6Very high78 Ų7852.4 Ų52.441%0.40827%0.272SS..THydrogen-bonded Turntrans53.247.5-179.5-53.3179.2000112.9N472 L532 R533N472-L476 VanDerWaalsContact O-CA 3.23Å; N472-L476 WeakPolarHBondContact O-CA 3.3Å; N472-L476 PolarHBondContact O-N 3.38Å; L476-L532 HydrophobicContact CB-CD2 4.36Å; L476-L532 WeakPolarHBondContact O-CD2 3.35Å; L476-R533 HydrophobicContact CD1-CG 4.3Å
477T97.9Very high97.7Very high67 Ų6752.3 Ų52.341%0.41127%0.272SS..EExtended strand (participates in β ladder)trans-117.6159.3176.662.50000112.3V471 N472 N475V471-T477 WeakPolarHBondContact CA-O 3.49Å; N472-T477 PolarHBondContact N-O 3.38Å; N472-T477 PolarHBondContact O-N 2.88Å; N475-T477 VanDerWaalsContact C-N 3.34Å; N475-T477 HydrophobicContact CB-CG2 4.46Å; N475-T477 VanDerWaalsContact CG-OG1 3.26Å; N475-T477 PolarHBondContact ND2-OG1 3.49Å; N475-T477 PolarHBondContact O-N 3.12Å; N475-T477 WeakPolarHBondContact OD1-CB 3.35Å; N475-T477 PolarHBondContact OD1-N 2.9Å; N475-T477 PolarHBondContact OD1-OG1 3.41Å
478F98.6Very high97.7Very high20 Ų2055 Ų559%0.08828%0.284CS..EExtended strand (participates in β ladder)trans-108.2127.2176.3-166.4-79.5000110.3L467 F470 V471 F480 L483 A528 L532 L544 I548L467-F478 HydrophobicContact CD2-CZ 4.25Å; F470-F478 HydrophobicContact CB-CD1 4.25Å; F470-F478 HydrophobicContact CB-CD2 4.3Å; F470-F478 HydrophobicContact CB-CE1 3.71Å; F470-F478 HydrophobicContact CB-CE2 3.79Å; F470-F478 HydrophobicContact CB-CZ 3.46Å; F470-F478 VanDerWaalsContact CB-CZ 3.46Å; F470-F478 HydrophobicContact CD2-CZ 4.34Å; F470-F478 HydrophobicContact CG-CE1 4.32Å; F470-F478 HydrophobicContact CG-CZ 4.05Å; F470-F478 CarbonylContact O-C 3.33Å; F470-F478 WeakPolarHBondContact O-CA 2.99Å; V471-F478 HydrophobicContact CG2-CD2 3.94Å; V471-F478 HydrophobicContact CG2-CE2 4.36Å; F478-F480 HydrophobicContact CB-CE2 4.09Å; F478-F480 HydrophobicContact CB-CZ 4.32Å; F478-F480 AromaticContact CD1-CD1 3.93Å; F478-F480 HydrophobicContact CD1-CD1 3.93Å; F478-F480 HydrophobicContact CD1-CD2 4.19Å; F478-F480 AromaticContact CD1-CE1 3.81Å; F478-F480 HydrophobicContact CD1-CE1 3.81Å; F478-F480 HydrophobicContact CD1-CE2 4.08Å; F478-F480 HydrophobicContact CD1-CG 4.13Å; F478-F480 AromaticContact CD1-CZ 3.9Å; F478-F480 HydrophobicContact CD1-CZ 3.9Å; F478-F480 HydrophobicContact CE1-CD1 4.21Å; F478-F480 HydrophobicContact CE1-CE1 4.2Å; F478-F480 HydrophobicContact CG-CZ 4.37Å; F478-F480 VanDerWaalsContact O-CD2 3.29Å; F478-F480 WeakPolarHBondContact O-CD2 3.47Å; F478-F480 PolarHBondContact O-N 3.33Å; F478-L483 HydrophobicContact CE1-CB 4.37Å; F478-L483 HydrophobicContact CE1-CD2 3.84Å; F478-L483 HydrophobicContact CZ-CD2 4.33Å; F478-A528 HydrophobicContact CE2-CB 4.4Å; F478-L532 HydrophobicContact CB-CD1 4.34Å; F478-L532 HydrophobicContact CD2-CD1 4.28Å; F478-L544 HydrophobicContact CB-CD1 4.07Å; F478-L544 HydrophobicContact CD1-CD1 4.4Å; F478-L544 HydrophobicContact CD2-CD1 4.12Å; F478-L544 HydrophobicContact CD2-CD2 4.37Å; F478-L544 HydrophobicContact CG-CD1 3.94Å; F478-I548 HydrophobicContact CE1-CG1 4.02Å; F478-I548 HydrophobicContact CE2-CD1 3.88Å; F478-I548 HydrophobicContact CE2-CG1 4.26Å; F478-I548 HydrophobicContact CZ-CD1 3.87Å; F478-I548 HydrophobicContact CZ-CG1 3.8Å
479D98.4Very high97.7Very high76 Ų7654.4 Ų54.441%0.40628%0.277SS..  trans-85.187.7-176.9-170.2-14.7000111.9F470 A481 K482 L483F470-D479 PolarHBondContact O-N 2.78Å; D479-A481 VanDerWaalsContact C-N 3.3Å; D479-A481 PolarHBondContact O-N 2.95Å; D479-A481 PolarHBondContact OD1-N 3.32Å; D479-A481 VanDerWaalsContact OD1-N 3.09Å; D479-K482 HydrophobicContact CB-CB 4.2Å; D479-K482 VanDerWaalsContact CG-CB 3.44Å; D479-K482 PolarHBondContact OD1-N 2.81Å; D479-K482 WeakPolarHBondContact OD2-CB 3.26Å; D479-L483 PolarHBondContact O-N 3.5Å; D479-L483 VanDerWaalsContact O-N 3.12Å
480F98.4Very high97.8Very high31 Ų3150.1 Ų50.114%0.13626%0.258CS..Hα-helixtrans-68.7-26.5176.4-66-78.7000113.3F478 L483 Q484 L544 R547 I548 T551F478-F480 HydrophobicContact CB-CE2 4.09Å; F478-F480 HydrophobicContact CB-CZ 4.32Å; F478-F480 AromaticContact CD1-CD1 3.93Å; F478-F480 HydrophobicContact CD1-CD1 3.93Å; F478-F480 HydrophobicContact CD1-CD2 4.19Å; F478-F480 AromaticContact CD1-CE1 3.81Å; F478-F480 HydrophobicContact CD1-CE1 3.81Å; F478-F480 HydrophobicContact CD1-CE2 4.08Å; F478-F480 HydrophobicContact CD1-CG 4.13Å; F478-F480 AromaticContact CD1-CZ 3.9Å; F478-F480 HydrophobicContact CD1-CZ 3.9Å; F478-F480 HydrophobicContact CE1-CD1 4.21Å; F478-F480 HydrophobicContact CE1-CE1 4.2Å; F478-F480 HydrophobicContact CG-CZ 4.37Å; F478-F480 VanDerWaalsContact O-CD2 3.29Å; F478-F480 WeakPolarHBondContact O-CD2 3.47Å; F478-F480 PolarHBondContact O-N 3.33Å; F480-L483 HydrophobicContact CD1-CD2 4.47Å; F480-L483 PolarHBondContact O-N 3.19Å; F480-Q484 WeakPolarHBondContact O-CG 3.44Å; F480-Q484 PolarHBondContact O-N 2.99Å; F480-L544 HydrophobicContact CE1-CD1 4.2Å; F480-L544 HydrophobicContact CZ-CD1 3.61Å; F480-R547 HydrophobicContact CE1-CB 3.7Å; F480-R547 HydrophobicContact CZ-CB 3.83Å; F480-I548 HydrophobicContact CE1-CG1 4.38Å; F480-T551 HydrophobicContact CB-CG2 4.43Å; F480-T551 HydrophobicContact CD1-CG2 4.33Å; F480-T551 WeakPolarHBondContact CD1-OG1 3.41Å
481A98.3Very high97.8Very high69 Ų6950 Ų5057%0.5726%0.257SS*.Hα-helixtrans-69.1-46178.800000110.3D479 L483 Q484 E485D479-A481 VanDerWaalsContact C-N 3.3Å; D479-A481 PolarHBondContact O-N 2.95Å; D479-A481 PolarHBondContact OD1-N 3.32Å; D479-A481 VanDerWaalsContact OD1-N 3.09Å; A481-L483 VanDerWaalsContact C-N 3.3Å; A481-L483 PolarHBondContact O-N 3.15Å; A481-Q484 PolarHBondContact O-N 2.71Å; A481-E485 PolarHBondContact O-N 3.02Å; A481-E485 VanDerWaalsContact O-N 3.09Å
482K98.5Very high97.8Very high41 Ų4152.7 Ų52.718%0.17827%0.266CS..Hα-helixtrans-65.2-35174-169.356.5167.9-177.30112W213 F470 D479 Q484 E485 V486W213-K482 HydrophobicContact CE3-CG 4.13Å; W213-K482 HydrophobicContact CH2-CG 3.89Å; W213-K482 HydrophobicContact CZ2-CG 4.49Å; W213-K482 HydrophobicContact CZ3-CG 3.69Å; F470-K482 HydrophobicContact CD1-CB 4.08Å; F470-K482 HydrophobicContact CD1-CG 4.15Å; F470-K482 HydrophobicContact CE1-CB 4.23Å; F470-K482 HydrophobicContact CE1-CG 3.97Å; D479-K482 HydrophobicContact CB-CB 4.2Å; D479-K482 VanDerWaalsContact CG-CB 3.44Å; D479-K482 PolarHBondContact OD1-N 2.81Å; D479-K482 WeakPolarHBondContact OD2-CB 3.26Å; K482-Q484 VanDerWaalsContact C-N 3.34Å; K482-Q484 PolarHBondContact O-N 3Å; K482-E485 HydrophobicContact CD-CB 4.43Å; K482-E485 WeakPolarHBondContact CD-OE2 3.23Å; K482-E485 IonicContact NZ-OE1 3.72Å; K482-E485 PolarHBondContact NZ-OE1 3.24Å; K482-E485 IonicContact NZ-OE2 3.71Å; K482-E485 PolarHBondContact NZ-OE2 3.34Å; K482-E485 PolarHBondContact O-N 2.84Å; K482-V486 HydrophobicContact CD-CG2 4.3Å; K482-V486 HydrophobicContact CG-CG2 4.38Å; K482-V486 WeakPolarHBondContact O-CG2 3.22Å; K482-V486 PolarHBondContact O-N 3.34Å
483L98.9Very high97.9Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-60.4-43.1174-179.160.8000111.7I465 F470 F478 D479 F480 A481 T487 I548 T551 M552I465-L483 HydrophobicContact CD1-CD1 4.17Å; I465-L483 HydrophobicContact CG2-CD1 3.88Å; F470-L483 HydrophobicContact CD1-CB 3.93Å; F470-L483 VanDerWaalsContact CE1-CA 3.41Å; F470-L483 HydrophobicContact CE1-CB 4.01Å; F470-L483 HydrophobicContact CE1-CD1 4.17Å; F470-L483 HydrophobicContact CE2-CD1 4.29Å; F470-L483 HydrophobicContact CZ-CD1 4.04Å; F478-L483 HydrophobicContact CE1-CB 4.37Å; F478-L483 HydrophobicContact CE1-CD2 3.84Å; F478-L483 HydrophobicContact CZ-CD2 4.33Å; D479-L483 PolarHBondContact O-N 3.5Å; D479-L483 VanDerWaalsContact O-N 3.12Å; F480-L483 HydrophobicContact CD1-CD2 4.47Å; F480-L483 PolarHBondContact O-N 3.19Å; A481-L483 VanDerWaalsContact C-N 3.3Å; A481-L483 PolarHBondContact O-N 3.15Å; L483-T487 VanDerWaalsContact O-CB 3.28Å; L483-T487 WeakPolarHBondContact O-CB 3.4Å; L483-T487 PolarHBondContact O-N 3.41Å; L483-T487 PolarHBondContact O-OG1 3.49Å; L483-I548 HydrophobicContact CD2-CB 4.49Å; L483-I548 HydrophobicContact CD2-CG2 4.19Å; L483-T551 HydrophobicContact CB-CG2 4.29Å; L483-T551 HydrophobicContact CD2-CG2 3.92Å; L483-T551 HydrophobicContact CG-CG2 4.08Å; L483-M552 HydrophobicContact CD1-CG 3.93Å; L483-M552 HydrophobicContact CD1-SD 4.38Å; L483-M552 HydrophobicContact CD2-CG 4.1Å; L483-M552 HydrophobicContact CG-CG 4.11Å
484Q98.8Very high98.2Very high47 Ų4742.7 Ų42.722%0.2222%0.223CC..Hα-helixtrans-61.8-47.7174.7-69.1-179.457.400111.6F480 A481 K482 V486 T487 K488 T551 A555F480-Q484 WeakPolarHBondContact O-CG 3.44Å; F480-Q484 PolarHBondContact O-N 2.99Å; A481-Q484 PolarHBondContact O-N 2.71Å; K482-Q484 VanDerWaalsContact C-N 3.34Å; K482-Q484 PolarHBondContact O-N 3Å; Q484-V486 PolarHBondContact O-N 3.07Å; Q484-T487 PolarHBondContact O-N 3.1Å; Q484-K488 VanDerWaalsContact O-CG 3.29Å; Q484-K488 WeakPolarHBondContact O-CG 3.38Å; Q484-K488 PolarHBondContact O-N 3.05Å; Q484-T551 HydrophobicContact CG-CG2 3.4Å; Q484-A555 HydrophobicContact CB-CB 4.06Å; Q484-A555 HydrophobicContact CG-CB 4.15Å
485E98.7Very high98.4Very high86 Ų8635.1 Ų35.140%0.40218%0.183SC..Hα-helixtrans-55.6-53.4179.2-172-157129.500111.4A481 K482 T487 K488 V489A481-E485 PolarHBondContact O-N 3.02Å; A481-E485 VanDerWaalsContact O-N 3.09Å; K482-E485 HydrophobicContact CD-CB 4.43Å; K482-E485 WeakPolarHBondContact CD-OE2 3.23Å; K482-E485 IonicContact NZ-OE1 3.72Å; K482-E485 PolarHBondContact NZ-OE1 3.24Å; K482-E485 IonicContact NZ-OE2 3.71Å; K482-E485 PolarHBondContact NZ-OE2 3.34Å; K482-E485 PolarHBondContact O-N 2.84Å; E485-T487 PolarHBondContact O-N 2.61Å; E485-K488 PolarHBondContact O-N 2.84Å; E485-V489 WeakPolarHBondContact O-CG2 3.16Å; E485-V489 PolarHBondContact O-N 3.05Å
486V98.9Very high98.5Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-63.9-42.1-179.1173.70000111L208 W213 F214 F470 K482 Q484 K488 V489 V490L208-V486 HydrophobicContact CD2-CG2 4.28Å; W213-V486 HydrophobicContact CB-CG1 4.17Å; W213-V486 HydrophobicContact CB-CG2 4.02Å; W213-V486 HydrophobicContact CD2-CG2 4.45Å; W213-V486 HydrophobicContact CE3-CG2 4.48Å; W213-V486 HydrophobicContact CG-CG2 4.27Å; F214-V486 HydrophobicContact CB-CG1 4.29Å; F214-V486 HydrophobicContact CD1-CG1 3.79Å; F214-V486 HydrophobicContact CG-CG1 4.42Å; F470-V486 HydrophobicContact CE1-CB 4.29Å; F470-V486 HydrophobicContact CE1-CG2 4.05Å; F470-V486 HydrophobicContact CZ-CB 4.12Å; F470-V486 HydrophobicContact CZ-CG1 4.26Å; F470-V486 HydrophobicContact CZ-CG2 4.11Å; K482-V486 HydrophobicContact CD-CG2 4.3Å; K482-V486 HydrophobicContact CG-CG2 4.38Å; K482-V486 WeakPolarHBondContact O-CG2 3.22Å; K482-V486 PolarHBondContact O-N 3.34Å; Q484-V486 PolarHBondContact O-N 3.07Å; V486-K488 VanDerWaalsContact C-N 3.32Å; V486-K488 PolarHBondContact O-N 3.26Å; V486-V489 PolarHBondContact O-N 3.14Å; V486-V490 HydrophobicContact CG1-CG2 4.28Å; V486-V490 WeakPolarHBondContact O-CG2 3.3Å; V486-V490 PolarHBondContact O-N 2.84Å
487T98.9Very high98.6Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-60.7-42.3179.2-57.20000111.4I465 L483 Q484 E485 V489 V490 T491 I520 M552 A555I465-T487 HydrophobicContact CD1-CG2 4.49Å; I465-T487 VanDerWaalsContact CD1-OG1 3.3Å; I465-T487 WeakPolarHBondContact CD1-OG1 3.41Å; L483-T487 VanDerWaalsContact O-CB 3.28Å; L483-T487 WeakPolarHBondContact O-CB 3.4Å; L483-T487 PolarHBondContact O-N 3.41Å; L483-T487 PolarHBondContact O-OG1 3.49Å; Q484-T487 PolarHBondContact O-N 3.1Å; E485-T487 PolarHBondContact O-N 2.61Å; T487-V489 VanDerWaalsContact C-N 3.32Å; T487-V489 PolarHBondContact O-N 3.14Å; T487-V490 PolarHBondContact O-N 2.9Å; T487-T491 PolarHBondContact O-N 3.37Å; T487-T491 PolarHBondContact O-OG1 3.45Å; T487-T491 VanDerWaalsContact O-OG1 3.12Å; T487-I520 HydrophobicContact CG2-CD1 4.12Å; T487-M552 HydrophobicContact CG2-CB 4.28Å; T487-M552 WeakPolarHBondContact CG2-O 3.36Å; T487-A555 HydrophobicContact CG2-CB 4.01Å
488K98.9Very high98.6Very high57 Ų5727.5 Ų27.525%0.24814%0.136CC..Hα-helixtrans-59.9-41.6176.4-70.9174.1176-170.30112.1Q484 E485 V486 T491 R492 A555 D558 A559Q484-K488 VanDerWaalsContact O-CG 3.29Å; Q484-K488 WeakPolarHBondContact O-CG 3.38Å; Q484-K488 PolarHBondContact O-N 3.05Å; E485-K488 PolarHBondContact O-N 2.84Å; V486-K488 VanDerWaalsContact C-N 3.32Å; V486-K488 PolarHBondContact O-N 3.26Å; K488-T491 PolarHBondContact O-N 2.73Å; K488-R492 WeakPolarHBondContact O-CG 3.35Å; K488-R492 PolarHBondContact O-N 2.84Å; K488-R492 PolarHBondContact O-NH1 3.36Å; K488-A555 HydrophobicContact CG-CB 4.22Å; K488-A555 WeakPolarHBondContact CG-O 3.5Å; K488-D558 WeakPolarHBondContact CE-OD2 3.32Å; K488-D558 IonicContact NZ-OD2 2.89Å; K488-D558 PolarHBondContact NZ-OD2 3.3Å; K488-A559 HydrophobicContact CB-CB 4.02Å; K488-A559 HydrophobicContact CG-CB 4.01Å
489V98.9Very high98.5Very high1 Ų129.6 Ų29.61%0.00615%0.149CC..Hα-helixtrans-63.9-47176.3179.90000110.3E204 L208 E485 V486 T487 T491 R492 N493E204-V489 HydrophobicContact CG-CG1 4.48Å; E204-V489 HydrophobicContact CG-CG2 4.47Å; L208-V489 HydrophobicContact CD1-CB 3.95Å; L208-V489 HydrophobicContact CD1-CG1 3.85Å; L208-V489 HydrophobicContact CD1-CG2 3.72Å; E485-V489 WeakPolarHBondContact O-CG2 3.16Å; E485-V489 PolarHBondContact O-N 3.05Å; V486-V489 PolarHBondContact O-N 3.14Å; T487-V489 VanDerWaalsContact C-N 3.32Å; T487-V489 PolarHBondContact O-N 3.14Å; V489-T491 VanDerWaalsContact C-N 3.3Å; V489-T491 PolarHBondContact O-N 2.93Å; V489-R492 VanDerWaalsContact CG2-NH2 3.3Å; V489-R492 PolarHBondContact O-N 2.8Å; V489-R492 VanDerWaalsContact O-N 3.13Å; V489-N493 VanDerWaalsContact O-CG 3.23Å; V489-N493 PolarHBondContact O-N 3.41Å; V489-N493 PolarHBondContact O-OD1 3.06Å
490V98.9Very high98.4Very high0 Ų027.9 Ų27.90%014%0.141CC..Hα-helixtrans-59-42.1178.5175.40000111.4F214 A463 I465 V486 T487 R492 N493 L494 I520F214-V490 HydrophobicContact CB-CG2 4.02Å; F214-V490 HydrophobicContact CD1-CG2 3.73Å; F214-V490 HydrophobicContact CD2-CG2 3.58Å; F214-V490 HydrophobicContact CE1-CG2 4Å; F214-V490 HydrophobicContact CE2-CG2 3.89Å; F214-V490 HydrophobicContact CG-CG2 3.5Å; F214-V490 VanDerWaalsContact CG-CG2 3.5Å; F214-V490 HydrophobicContact CZ-CG2 4.08Å; A463-V490 HydrophobicContact CB-CG1 3.59Å; I465-V490 HydrophobicContact CG1-CG2 4.48Å; V486-V490 HydrophobicContact CG1-CG2 4.28Å; V486-V490 WeakPolarHBondContact O-CG2 3.3Å; V486-V490 PolarHBondContact O-N 2.84Å; T487-V490 PolarHBondContact O-N 2.9Å; V490-R492 PolarHBondContact O-N 3.3Å; V490-N493 PolarHBondContact O-N 2.96Å; V490-L494 HydrophobicContact CG1-CD1 3.92Å; V490-L494 HydrophobicContact CG1-CG 4.21Å; V490-L494 WeakPolarHBondContact O-CG 3.33Å; V490-L494 PolarHBondContact O-N 2.76Å; V490-I520 HydrophobicContact CG1-CD1 4.06Å; V490-I520 HydrophobicContact CG1-CG1 3.93Å; V490-I520 HydrophobicContact CG1-CG2 4.2Å
491T98.9Very high98.3Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-57.9-47.8174.6-60.80000111.8T487 K488 V489 N493 L494 N495 I518 I520 S556 A559 L563T487-T491 PolarHBondContact O-N 3.37Å; T487-T491 PolarHBondContact O-OG1 3.45Å; T487-T491 VanDerWaalsContact O-OG1 3.12Å; K488-T491 PolarHBondContact O-N 2.73Å; V489-T491 VanDerWaalsContact C-N 3.3Å; V489-T491 PolarHBondContact O-N 2.93Å; T491-N493 VanDerWaalsContact C-N 3.34Å; T491-N493 PolarHBondContact O-N 2.85Å; T491-L494 PolarHBondContact O-N 3Å; T491-N495 WeakPolarHBondContact O-CB 3.49Å; T491-N495 PolarHBondContact O-N 2.82Å; T491-I518 HydrophobicContact CG2-CD1 3.88Å; T491-I520 WeakPolarHBondContact OG1-CD1 3.48Å; T491-S556 WeakPolarHBondContact OG1-CA 3.37Å; T491-S556 WeakPolarHBondContact OG1-CB 3.43Å; T491-A559 HydrophobicContact CG2-CB 3.72Å; T491-L563 HydrophobicContact CG2-CD1 4.42Å
492R98.7Very high98.2Very high74 Ų7427 Ų2728%0.27913%0.125SC..Hα-helixtrans-60.9-43.8176.9-65.9-169.4-55.9-89.211.2111.8E204 K488 V489 V490 N495 K496 L563E204-R492 IonicContact OE1-NH2 2.83Å; E204-R492 PolarHBondContact OE1-NH2 3.33Å; E204-R492 IonicContact OE2-CZ 3.14Å; E204-R492 IonicContact OE2-NH2 3.52Å; E204-R492 PolarHBondContact OE2-NH2 3.29Å; K488-R492 WeakPolarHBondContact O-CG 3.35Å; K488-R492 PolarHBondContact O-N 2.84Å; K488-R492 PolarHBondContact O-NH1 3.36Å; V489-R492 VanDerWaalsContact CG2-NH2 3.3Å; V489-R492 PolarHBondContact O-N 2.8Å; V489-R492 VanDerWaalsContact O-N 3.13Å; V490-R492 PolarHBondContact O-N 3.3Å; R492-N495 PolarHBondContact O-N 2.78Å; R492-K496 PolarHBondContact O-N 2.94Å; R492-L563 HydrophobicContact CG-CD1 4.42Å; R492-L563 HydrophobicContact CG-CD2 4.36Å
493N98.7Very high98.1Very high0 Ų026.3 Ų26.30%012%0.121CC..Hα-helixtrans-63.5-48.1-179.7-67.52.5000111.7I194 H195 T205 V489 V490 T491 N495 K496 V497I194-N493 HydrophobicContact CG2-CB 4.47Å; H195-N493 PolarHBondContact CE1-OD1 2.8Å; H195-N493 PolarHBondContact NE2-OD1 3.25Å; T205-N493 WeakPolarHBondContact CG2-ND2 3.3Å; T205-N493 PolarHBondContact OG1-ND2 3.48Å; T205-N493 PolarHBondContact OG1-OD1 3.16Å; V489-N493 VanDerWaalsContact O-CG 3.23Å; V489-N493 PolarHBondContact O-N 3.41Å; V489-N493 PolarHBondContact O-OD1 3.06Å; V490-N493 PolarHBondContact O-N 2.96Å; T491-N493 VanDerWaalsContact C-N 3.34Å; T491-N493 PolarHBondContact O-N 2.85Å; N493-N495 VanDerWaalsContact C-N 3.31Å; N493-N495 PolarHBondContact O-N 3.38Å; N493-K496 WeakPolarHBondContact O-CB 3.42Å; N493-K496 PolarHBondContact O-N 2.71Å; N493-K496 VanDerWaalsContact O-N 3.13Å; N493-V497 WeakPolarHBondContact O-CG2 3.33Å; N493-V497 PolarHBondContact O-N 2.82Å
494L98.7Very high97.9Very high0 Ų027.2 Ų27.20%013%0.127CC..Hα-helixtrans-66-35.5178.4-68.5178.8000111.9A463 V490 T491 K496 V497 I498 I518 I520A463-L494 HydrophobicContact CB-CD1 4.03Å; A463-L494 HydrophobicContact CB-CD2 4.05Å; A463-L494 HydrophobicContact CB-CG 4.25Å; V490-L494 HydrophobicContact CG1-CD1 3.92Å; V490-L494 HydrophobicContact CG1-CG 4.21Å; V490-L494 WeakPolarHBondContact O-CG 3.33Å; V490-L494 PolarHBondContact O-N 2.76Å; T491-L494 PolarHBondContact O-N 3Å; L494-K496 VanDerWaalsContact C-N 3.3Å; L494-K496 PolarHBondContact O-N 3.3Å; L494-V497 WeakPolarHBondContact O-CB 3.37Å; L494-V497 PolarHBondContact O-N 3.28Å; L494-I498 PolarHBondContact O-N 3.11Å; L494-I518 HydrophobicContact CB-CB 3.82Å; L494-I518 HydrophobicContact CB-CD1 4.14Å; L494-I518 HydrophobicContact CB-CG2 3.6Å; L494-I518 HydrophobicContact CD1-CB 4.02Å; L494-I518 HydrophobicContact CD1-CD1 4.33Å; L494-I520 HydrophobicContact CD1-CG1 3.77Å
495N98.5Very high97.7Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-62-37.8172179.367.5000112.1T491 R492 N493 I498 R516 L563 R616 N617T491-N495 WeakPolarHBondContact O-CB 3.49Å; T491-N495 PolarHBondContact O-N 2.82Å; R492-N495 PolarHBondContact O-N 2.78Å; N493-N495 VanDerWaalsContact C-N 3.31Å; N493-N495 PolarHBondContact O-N 3.38Å; N495-I498 WeakPolarHBondContact O-CB 3.42Å; N495-I498 PolarHBondContact O-N 3.38Å; N495-R516 PolarHBondContact O-NH2 3.03Å; N495-R516 VanDerWaalsContact O-NH2 3.1Å; N495-R516 PolarHBondContact OD1-NE 3.45Å; N495-R516 PolarHBondContact OD1-NH2 3.5Å; N495-L563 HydrophobicContact CB-CD1 3.89Å; N495-R616 WeakPolarHBondContact OD1-CG 3.49Å; N495-N617 PolarHBondContact OD1-ND2 2.73Å
496K98Very high97.7Very high74 Ų7426 Ų2632%0.32212%0.123SC..Hα-helixtrans-69.9-35.8173.8-73.8-66.7-171.6-179.60113I194 R492 N493 L494 I498 D499 V500I194-K496 HydrophobicContact CG2-CB 3.83Å; R492-K496 PolarHBondContact O-N 2.94Å; N493-K496 WeakPolarHBondContact O-CB 3.42Å; N493-K496 PolarHBondContact O-N 2.71Å; N493-K496 VanDerWaalsContact O-N 3.13Å; L494-K496 VanDerWaalsContact C-N 3.3Å; L494-K496 PolarHBondContact O-N 3.3Å; K496-I498 PolarHBondContact O-N 3.39Å; K496-D499 PolarHBondContact O-N 2.96Å; K496-V500 WeakPolarHBondContact O-CG2 3.31Å; K496-V500 PolarHBondContact O-N 3.44Å; K496-V500 VanDerWaalsContact O-N 3.16Å
497V98.3Very high97.6Very high1 Ų127.8 Ų27.81%0.00613%0.131CC..Hα-helixtrans-54-38.8174.9164.80000111.3I194 T220 L231 N461 N493 L494 D499 V500 T501I194-V497 HydrophobicContact CD1-CG2 4.19Å; I194-V497 HydrophobicContact CG1-CG2 4.01Å; I194-V497 HydrophobicContact CG2-CG2 4.27Å; T220-V497 HydrophobicContact CG2-CG2 4.41Å; L231-V497 HydrophobicContact CB-CG1 3.79Å; L231-V497 HydrophobicContact CD1-CG1 4.1Å; L231-V497 HydrophobicContact CD1-CG2 4.25Å; N461-V497 HydrophobicContact CB-CG1 4.35Å; N493-V497 WeakPolarHBondContact O-CG2 3.33Å; N493-V497 PolarHBondContact O-N 2.82Å; L494-V497 WeakPolarHBondContact O-CB 3.37Å; L494-V497 PolarHBondContact O-N 3.28Å; V497-D499 VanDerWaalsContact C-N 3.26Å; V497-D499 PolarHBondContact O-N 3.07Å; V497-V500 PolarHBondContact O-N 3.44Å; V497-T501 WeakPolarHBondContact O-CB 3.33Å; V497-T501 VanDerWaalsContact O-CG2 3.29Å; V497-T501 WeakPolarHBondContact O-CG2 3.18Å; V497-T501 PolarHBondContact O-N 3.08Å
498I98.1Very high97.6Very high0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-58.4-38.4176.1-63.2166.3000111.7L494 N495 K496 Y503 N512 M513 R516 I518L494-I498 PolarHBondContact O-N 3.11Å; N495-I498 WeakPolarHBondContact O-CB 3.42Å; N495-I498 PolarHBondContact O-N 3.38Å; K496-I498 PolarHBondContact O-N 3.39Å; I498-Y503 PolarHBondContact O-OH 2.97Å; I498-N512 HydrophobicContact CG2-CB 4.49Å; I498-M513 HydrophobicContact CG2-SD 4.15Å; I498-R516 HydrophobicContact CD1-CB 3.82Å; I498-I518 HydrophobicContact CD1-CG2 3.81Å
499D96.4Very high97.5Very high65 Ų6530 Ų3035%0.34814%0.138SC..Hα-helixtrans-79-35.1-175.4-58-37.3000112.3K496 V497 R516K496-D499 PolarHBondContact O-N 2.96Å; V497-D499 VanDerWaalsContact C-N 3.26Å; V497-D499 PolarHBondContact O-N 3.07Å; D499-R516 VanDerWaalsContact CG-NH2 3.32Å; D499-R516 IonicContact OD1-CZ 3.48Å; D499-R516 VanDerWaalsContact OD1-CZ 3.26Å; D499-R516 IonicContact OD1-NH1 2.89Å; D499-R516 PolarHBondContact OD1-NH1 3.02Å; D499-R516 IonicContact OD1-NH2 2.8Å; D499-R516 PolarHBondContact OD1-NH2 3.13Å; D499-R516 IonicContact OD2-NH2 3.73Å; D499-R516 PolarHBondContact OD2-NH2 3.13Å; D499-R516 VanDerWaalsContact OD2-NH2 3.14Å
500V96.3Very high97.5Very high40 Ų4034.3 Ų34.324%0.24215%0.154CC..Hα-helixtrans-99.6-12.8-171.5-550000114.2T196 L231 K496 V497T196-V500 HydrophobicContact CG2-CG1 3.94Å; L231-V500 HydrophobicContact CD1-CG2 3.74Å; K496-V500 WeakPolarHBondContact O-CG2 3.31Å; K496-V500 PolarHBondContact O-N 3.44Å; K496-V500 VanDerWaalsContact O-N 3.16Å; V497-V500 PolarHBondContact O-N 3.44Å
501T96.7Very high97.5Very high8 Ų834.4 Ų34.45%0.04916%0.155CC..PPolyproline II helixtrans-68.4141.8-179.4-1700000111.7P229 L231 V497 Y503P229-T501 CarbonylContact O-C 3.55Å; P229-T501 WeakPolarHBondContact O-CA 3.49Å; L231-T501 PolarHBondContact N-OG1 2.93Å; V497-T501 WeakPolarHBondContact O-CB 3.33Å; V497-T501 VanDerWaalsContact O-CG2 3.29Å; V497-T501 WeakPolarHBondContact O-CG2 3.18Å; V497-T501 PolarHBondContact O-N 3.08Å; T501-Y503 HydrophobicContact CG2-CD1 4.46Å; T501-Y503 HydrophobicContact CG2-CD2 4.18Å; T501-Y503 HydrophobicContact CG2-CE1 3.83Å; T501-Y503 HydrophobicContact CG2-CE2 3.51Å; T501-Y503 WeakPolarHBondContact CG2-OH 3.32Å; T501-Y503 WeakPolarHBondContact O-CD2 3.11Å
502F95.8Very high97.4Very high72 Ų7234.4 Ų34.432%0.31616%0.155SC..PPolyproline II helixtrans-78.4125.3167.8170.7-91.2000109.8K228 P229 Q230 P504K228-F502 HydrophobicContact CD-CD1 4.37Å; K228-F502 HydrophobicContact CD-CE1 4.34Å; K228-F502 VanDerWaalsContact CE-CD1 3.46Å; K228-F502 HydrophobicContact CG-CB 4.38Å; K228-F502 HydrophobicContact CG-CD1 4.04Å; K228-F502 HydrophobicContact CG-CD2 4.13Å; K228-F502 HydrophobicContact CG-CE1 4.46Å; K228-F502 HydrophobicContact CG-CG 3.88Å; P229-F502 PolarHBondContact O-N 3.43Å; Q230-F502 HydrophobicContact CB-CB 4.47Å; Q230-F502 HydrophobicContact CB-CD1 4.23Å; Q230-F502 HydrophobicContact CG-CD1 4.48Å; Q230-F502 WeakPolarHBondContact CG-O 3.37Å; F502-P504 HydrophobicContact CE1-CB 4.46Å; F502-P504 HydrophobicContact CE1-CG 4.43Å
503Y96.3Very high97.3Very high28 Ų2834.3 Ų34.311%0.1116%0.158CC..PPolyproline II helixtrans-92124.1174.8-64.4-86.6000111V459 I498 T501 V505 A508 R509 N512V459-Y503 HydrophobicContact CG1-CE1 4.42Å; V459-Y503 HydrophobicContact CG2-CE1 4.32Å; I498-Y503 PolarHBondContact O-OH 2.97Å; T501-Y503 HydrophobicContact CG2-CD1 4.46Å; T501-Y503 HydrophobicContact CG2-CD2 4.18Å; T501-Y503 HydrophobicContact CG2-CE1 3.83Å; T501-Y503 HydrophobicContact CG2-CE2 3.51Å; T501-Y503 WeakPolarHBondContact CG2-OH 3.32Å; T501-Y503 WeakPolarHBondContact O-CD2 3.11Å; Y503-V505 PolarHBondContact O-N 3.16Å; Y503-A508 HydrophobicContact CD1-CB 4.02Å; Y503-R509 HydrophobicContact CD1-CB 4.17Å; Y503-R509 HydrophobicContact CD2-CB 3.77Å; Y503-R509 HydrophobicContact CD2-CG 3.61Å; Y503-R509 HydrophobicContact CE2-CB 4.37Å; Y503-R509 HydrophobicContact CE2-CG 3.96Å; Y503-R509 HydrophobicContact CG-CB 3.64Å; Y503-R509 HydrophobicContact CG-CG 4.06Å; Y503-N512 HydrophobicContact CE1-CB 3.62Å; Y503-N512 WeakPolarHBondContact OH-CB 3.28Å; Y503-N512 PolarHBondContact OH-ND2 3.13Å
504P93.8Very high97.3Very high18 Ų1838.4 Ų38.412%0.11717%0.174CC..SBendtrans-62.8-28.6176.9-24.235.1000114.4Q230 F235 V256 I257 N260 F502Q230-P504 HydrophobicContact CG-CG 4.12Å; F235-P504 HydrophobicContact CZ-CG 4.15Å; V256-P504 HydrophobicContact CG1-CB 4.03Å; V256-P504 VanDerWaalsContact CG1-O 3.32Å; V256-P504 WeakPolarHBondContact CG1-O 3.4Å; I257-P504 HydrophobicContact CG1-CB 4.26Å; N260-P504 HydrophobicContact CB-CB 4.45Å; N260-P504 HydrophobicContact CB-CG 3.95Å; F502-P504 HydrophobicContact CE1-CB 4.46Å; F502-P504 HydrophobicContact CE1-CG 4.43Å
505V96.3Very high97.3Very high22 Ų2238.5 Ų38.513%0.13317%0.174CC..SBendtrans-140.4155.5-176.8-63.90000110.2E253 V256 I257 Y503 A508 R509E253-V505 HydrophobicContact CG-CG1 4.14Å; E253-V505 HydrophobicContact CG-CG2 4.25Å; V256-V505 HydrophobicContact CB-CG1 4.19Å; V256-V505 HydrophobicContact CG1-CG1 3.8Å; I257-V505 HydrophobicContact CD1-CG2 4.08Å; I257-V505 HydrophobicContact CG1-CG2 4.26Å; Y503-V505 PolarHBondContact O-N 3.16Å; V505-A508 HydrophobicContact CG2-CB 3.68Å; V505-A508 PolarHBondContact O-N 3.39Å; V505-R509 PolarHBondContact O-N 2.92Å
506E97.4Very high97.3Very high85 Ų8538.6 Ų38.640%0.39718%0.175SC..Hα-helixtrans-74.5-33.4-172.9175.955.4-158.600112A508 R509 R510E506-A508 PolarHBondContact O-N 3.37Å; E506-R509 WeakPolarHBondContact O-CB 3.44Å; E506-R509 PolarHBondContact O-N 3.2Å; E506-R509 VanDerWaalsContact O-N 3.12Å; E506-R509 IonicContact OE1-CZ 2.81Å; E506-R509 VanDerWaalsContact OE1-CZ 3.27Å; E506-R509 IonicContact OE1-NE 2.74Å; E506-R509 PolarHBondContact OE1-NE 2.6Å; E506-R509 VanDerWaalsContact OE1-NE 3.13Å; E506-R509 IonicContact OE1-NH2 3.35Å; E506-R509 PolarHBondContact OE1-NH2 3.13Å; E506-R509 IonicContact OE2-CZ 2.62Å; E506-R509 IonicContact OE2-NE 2.63Å; E506-R509 PolarHBondContact OE2-NE 2.71Å; E506-R509 IonicContact OE2-NH2 2.77Å; E506-R510 WeakPolarHBondContact O-CB 3.4Å; E506-R510 PolarHBondContact O-N 2.64Å
507E97.9Very high97.3Very high38 Ų3835.1 Ų35.118%0.17816%0.159CC..Hα-helixtrans-57.2-38.6174.4-63.187.6161.200111.1K240 T457 S511K240-E507 IonicContact NZ-OE1 3.85Å; K240-E507 PolarHBondContact NZ-OE1 2.8Å; T457-E507 PolarHBondContact N-O 3.41Å; E507-S511 PolarHBondContact O-N 2.85Å; E507-S511 VanDerWaalsContact O-N 3.11Å
508A97.9Very high97.3Very high0 Ų035 Ų350%016%0.159CC..Hα-helixtrans-70-40.9175.700000112.6F235 T457 V459 Y503 V505 E506 N512F235-A508 HydrophobicContact CD1-CB 3.95Å; F235-A508 HydrophobicContact CE1-CB 3.8Å; T457-A508 HydrophobicContact CG2-CB 4.23Å; T457-A508 WeakPolarHBondContact O-CA 3.4Å; V459-A508 HydrophobicContact CG2-CB 3.74Å; V459-A508 WeakPolarHBondContact CG2-O 3.34Å; Y503-A508 HydrophobicContact CD1-CB 4.02Å; V505-A508 HydrophobicContact CG2-CB 3.68Å; V505-A508 PolarHBondContact O-N 3.39Å; E506-A508 PolarHBondContact O-N 3.37Å; A508-N512 WeakPolarHBondContact O-CB 3.48Å; A508-N512 PolarHBondContact O-N 3.46Å; A508-N512 VanDerWaalsContact O-N 3.11Å
509R98.1Very high97.3Very high105 Ų10535 Ų3540%0.39616%0.159SC..Hα-helixtrans-63.3-45175.6-169.9-170.273.777.11.6110.7Y503 V505 E506 M513Y503-R509 HydrophobicContact CD1-CB 4.17Å; Y503-R509 HydrophobicContact CD2-CB 3.77Å; Y503-R509 HydrophobicContact CD2-CG 3.61Å; Y503-R509 HydrophobicContact CE2-CB 4.37Å; Y503-R509 HydrophobicContact CE2-CG 3.96Å; Y503-R509 HydrophobicContact CG-CB 3.64Å; Y503-R509 HydrophobicContact CG-CG 4.06Å; V505-R509 PolarHBondContact O-N 2.92Å; E506-R509 WeakPolarHBondContact O-CB 3.44Å; E506-R509 PolarHBondContact O-N 3.2Å; E506-R509 VanDerWaalsContact O-N 3.12Å; E506-R509 IonicContact OE1-CZ 2.81Å; E506-R509 VanDerWaalsContact OE1-CZ 3.27Å; E506-R509 IonicContact OE1-NE 2.74Å; E506-R509 PolarHBondContact OE1-NE 2.6Å; E506-R509 VanDerWaalsContact OE1-NE 3.13Å; E506-R509 IonicContact OE1-NH2 3.35Å; E506-R509 PolarHBondContact OE1-NH2 3.13Å; E506-R509 IonicContact OE2-CZ 2.62Å; E506-R509 IonicContact OE2-NE 2.63Å; E506-R509 PolarHBondContact OE2-NE 2.71Å; E506-R509 IonicContact OE2-NH2 2.77Å; R509-M513 HydrophobicContact CG-CG 4.26Å; R509-M513 WeakPolarHBondContact O-CB 3.15Å; R509-M513 WeakPolarHBondContact O-CG 3.36Å; R509-M513 PolarHBondContact O-N 3.44Å
510R98Very high97.4Very high91 Ų9132 Ų3234%0.34314%0.142SC..Hα-helixtrans-57.8-55.1179.7-174.3-179.2-54.5146.97.1111.1D455 E506 N512 M513 R514D455-R510 PolarHBondContact O-NH1 2.81Å; E506-R510 WeakPolarHBondContact O-CB 3.4Å; E506-R510 PolarHBondContact O-N 2.64Å; R510-N512 PolarHBondContact O-N 2.91Å; R510-M513 PolarHBondContact O-N 3.46Å; R510-R514 VanDerWaalsContact O-CB 3.25Å; R510-R514 WeakPolarHBondContact O-CB 3.46Å; R510-R514 PolarHBondContact O-N 3.35Å
511S98Very high97.5Very high2 Ų230 Ų301%0.01413%0.131CC..Hα-helixtrans-59.2-49.6-178.7-167.30000112E456 T457 E507 M513 R514 H515E456-S511 VanDerWaalsContact OE2-CA 3.25Å; E456-S511 WeakPolarHBondContact OE2-CA 3.39Å; E456-S511 WeakPolarHBondContact OE2-CB 3.31Å; E456-S511 PolarHBondContact OE2-OG 3.45Å; T457-S511 VanDerWaalsContact O-CB 3.28Å; T457-S511 WeakPolarHBondContact O-CB 3.37Å; E507-S511 PolarHBondContact O-N 2.85Å; E507-S511 VanDerWaalsContact O-N 3.11Å; S511-M513 PolarHBondContact O-N 2.99Å; S511-R514 PolarHBondContact O-N 2.9Å; S511-H515 PolarHBondContact O-CD2 2.87Å; S511-H515 VanDerWaalsContact O-CD2 3.26Å; S511-H515 PolarHBondContact O-N 2.88Å
512N96.8Very high97.6Very high0 Ų029.7 Ų29.70%013%0.128CC..Hα-helixtrans-69.1-32.8-175.9-152.622.9000112.6V459 N461 I498 Y503 A508 R510 R516 P517V459-N512 HydrophobicContact CB-CB 4.03Å; V459-N512 HydrophobicContact CG2-CB 4.03Å; N461-N512 PolarHBondContact ND2-ND2 3.19Å; N461-N512 VanDerWaalsContact ND2-ND2 3.1Å; N461-N512 PolarHBondContact ND2-OD1 3.47Å; N461-N512 VanDerWaalsContact ND2-OD1 3.13Å; I498-N512 HydrophobicContact CG2-CB 4.49Å; Y503-N512 HydrophobicContact CE1-CB 3.62Å; Y503-N512 WeakPolarHBondContact OH-CB 3.28Å; Y503-N512 PolarHBondContact OH-ND2 3.13Å; A508-N512 WeakPolarHBondContact O-CB 3.48Å; A508-N512 PolarHBondContact O-N 3.46Å; A508-N512 VanDerWaalsContact O-N 3.11Å; R510-N512 PolarHBondContact O-N 2.91Å; N512-R516 WeakPolarHBondContact O-CA 3.35Å; N512-R516 WeakPolarHBondContact O-CG 3.37Å; N512-R516 PolarHBondContact O-N 2.95Å; N512-P517 WeakPolarHBondContact OD1-CD 3.34Å
513M97.5Very high97.8Very high71 Ų7126.2 Ų26.235%0.3511%0.113SC..Hα-helixtrans-72.8-34.6175.4-68.8-60.2-72.200112.6I498 R509 R510 S511 R516I498-M513 HydrophobicContact CG2-SD 4.15Å; R509-M513 HydrophobicContact CG-CG 4.26Å; R509-M513 WeakPolarHBondContact O-CB 3.15Å; R509-M513 WeakPolarHBondContact O-CG 3.36Å; R509-M513 PolarHBondContact O-N 3.44Å; R510-M513 PolarHBondContact O-N 3.46Å; S511-M513 PolarHBondContact O-N 2.99Å; M513-R516 WeakPolarHBondContact O-CG 3.47Å
514R98Very high97.8Very high87 Ų8724.9 Ų24.933%0.32811%0.108SC..Hα-helixtrans-77.4-37.5-177-169.8177.5-177-145.8-3113.2E456 R510 S511 E571 S572E456-R514 IonicContact OE1-CZ 3.17Å; E456-R514 IonicContact OE1-NH1 3.07Å; E456-R514 PolarHBondContact OE1-NH1 2.75Å; R510-R514 VanDerWaalsContact O-CB 3.25Å; R510-R514 WeakPolarHBondContact O-CB 3.46Å; R510-R514 PolarHBondContact O-N 3.35Å; S511-R514 PolarHBondContact O-N 2.9Å; R514-E571 HydrophobicContact CG-CB 4.21Å; R514-E571 HydrophobicContact CG-CG 4.41Å; R514-E571 IonicContact NE-OE1 2.77Å; R514-E571 PolarHBondContact O-N 3.34Å; R514-S572 PolarHBondContact O-N 2.98Å; R514-S572 VanDerWaalsContact O-N 3.13Å; R514-S572 PolarHBondContact O-OG 3.12Å
515H98.3Very high98.1Very high1 Ų124 Ų241%0.00510%0.103CC..Hα-helixtrans-107.2-29-175.1-54.4-50000112.9L436 E456 S511 S572 S618L436-H515 WeakPolarHBondContact CD1-CE1 2.81Å; L436-H515 WeakPolarHBondContact CD1-ND1 3.41Å; E456-H515 IonicContact OE1-NE2 2.68Å; E456-H515 IonicContact OE2-CD2 2.77Å; E456-H515 PolarHBondContact OE2-CD2 3.04Å; E456-H515 IonicContact OE2-NE2 3.9Å; E456-H515 PolarHBondContact OE2-NE2 3.01Å; S511-H515 PolarHBondContact O-CD2 2.87Å; S511-H515 VanDerWaalsContact O-CD2 3.26Å; S511-H515 PolarHBondContact O-N 2.88Å; H515-S572 PolarHBondContact CE1-OG 2.83Å; H515-S572 PolarHBondContact ND1-OG 2.81Å; H515-S618 WeakPolarHBondContact O-CB 3.38Å; H515-S618 PolarHBondContact O-N 3.25Å; H515-S618 PolarHBondContact O-OG 3.11Å
516R98.4Very high98.2Very high3 Ų323.1 Ų23.11%0.01110%0.097CC..  trans49.744.5-178-52.9-174.668.486.3-3.1115.7N495 I498 D499 N512 M513 R616 N617N495-R516 PolarHBondContact O-NH2 3.03Å; N495-R516 VanDerWaalsContact O-NH2 3.1Å; N495-R516 PolarHBondContact OD1-NE 3.45Å; N495-R516 PolarHBondContact OD1-NH2 3.5Å; I498-R516 HydrophobicContact CD1-CB 3.82Å; D499-R516 VanDerWaalsContact CG-NH2 3.32Å; D499-R516 IonicContact OD1-CZ 3.48Å; D499-R516 VanDerWaalsContact OD1-CZ 3.26Å; D499-R516 IonicContact OD1-NH1 2.89Å; D499-R516 PolarHBondContact OD1-NH1 3.02Å; D499-R516 IonicContact OD1-NH2 2.8Å; D499-R516 PolarHBondContact OD1-NH2 3.13Å; D499-R516 IonicContact OD2-NH2 3.73Å; D499-R516 PolarHBondContact OD2-NH2 3.13Å; D499-R516 VanDerWaalsContact OD2-NH2 3.14Å; N512-R516 WeakPolarHBondContact O-CA 3.35Å; N512-R516 WeakPolarHBondContact O-CG 3.37Å; N512-R516 PolarHBondContact O-N 2.95Å; M513-R516 WeakPolarHBondContact O-CG 3.47Å; R516-R616 WeakPolarHBondContact CB-O 3.45Å; R516-R616 WeakPolarHBondContact CD-O 3.4Å; R516-N617 WeakPolarHBondContact O-CA 3.49Å; R516-N617 WeakPolarHBondContact O-CB 3.31Å; R516-N617 PolarHBondContact O-ND2 3.36Å
517P98.5Very high98.2Very high0 Ų019.3 Ų19.30%08%0.079CC..  trans-68.6144.3178.132-37.3000111.8E450 N461 N512 L619E450-P517 HydrophobicContact CG-CB 4.42Å; E450-P517 WeakPolarHBondContact OE1-CB 3.39Å; E450-P517 WeakPolarHBondContact OE2-CG 3.12Å; N461-P517 PolarHBondContact ND2-O 3.46Å; N461-P517 VanDerWaalsContact ND2-O 3.12Å; N512-P517 WeakPolarHBondContact OD1-CD 3.34Å; P517-L619 HydrophobicContact CB-CB 4.08Å; P517-L619 HydrophobicContact CB-CD1 4.35Å
518I98.7Very high98.2Very high0 Ų017.5 Ų17.50%07%0.071CC..  trans-128.7161.9170.267.8173.3000109.5T491 L494 I498 I520 N617 L619 L620 Q726T491-I518 HydrophobicContact CG2-CD1 3.88Å; L494-I518 HydrophobicContact CB-CB 3.82Å; L494-I518 HydrophobicContact CB-CD1 4.14Å; L494-I518 HydrophobicContact CB-CG2 3.6Å; L494-I518 HydrophobicContact CD1-CB 4.02Å; L494-I518 HydrophobicContact CD1-CD1 4.33Å; I498-I518 HydrophobicContact CD1-CG2 3.81Å; I518-I520 HydrophobicContact CD1-CD1 4.22Å; I518-I520 HydrophobicContact CD1-CG1 4.37Å; I518-N617 HydrophobicContact CG1-CB 4.48Å; I518-L619 WeakPolarHBondContact CG1-O 3.44Å; I518-L619 PolarHBondContact N-O 3.21Å; I518-L619 CarbonylContact O-C 3.48Å; I518-L619 VanDerWaalsContact O-O 3.09Å; I518-L620 HydrophobicContact CD1-CD2 3.93Å; I518-L620 HydrophobicContact CG1-CD2 4.08Å; I518-L620 CarbonylContact O-C 3.45Å; I518-L620 PolarHBondContact O-N 3.47Å; I518-Q726 PolarHBondContact O-NE2 3.32Å
519G98.5Very high98.2Very high0 Ų017.6 Ų17.60%07%0.071CC..EExtended strand (participates in β ladder)trans-133.3103.9177.500000111.7N461 L462 A463N461-G519 PolarHBondContact O-N 3.09Å; L462-G519 WeakPolarHBondContact CA-O 3.41Å; L462-G519 WeakPolarHBondContact CD2-O 3.5Å; A463-G519 PolarHBondContact N-O 3.38Å; A463-G519 VanDerWaalsContact N-O 3.16Å
520I98.9Very high98.2Very high0 Ų012.8 Ų12.80%05%0.054CC..EExtended strand (participates in β ladder)trans-95.5118.5173.1-52.7175.5000108I465 T487 V490 T491 L494 I518 M552 L620 L621 A622I465-I520 HydrophobicContact CD1-CG2 3.98Å; I465-I520 HydrophobicContact CG1-CG2 4.19Å; T487-I520 HydrophobicContact CG2-CD1 4.12Å; V490-I520 HydrophobicContact CG1-CD1 4.06Å; V490-I520 HydrophobicContact CG1-CG1 3.93Å; V490-I520 HydrophobicContact CG1-CG2 4.2Å; T491-I520 WeakPolarHBondContact OG1-CD1 3.48Å; L494-I520 HydrophobicContact CD1-CG1 3.77Å; I518-I520 HydrophobicContact CD1-CD1 4.22Å; I518-I520 HydrophobicContact CD1-CG1 4.37Å; I520-M552 HydrophobicContact CB-CE 4.45Å; I520-M552 HydrophobicContact CG2-CE 3.58Å; I520-L620 WeakPolarHBondContact CG1-O 3.37Å; I520-L620 PolarHBondContact N-O 2.97Å; I520-L621 HydrophobicContact CB-CD1 4.23Å; I520-L621 HydrophobicContact CB-CG 4.46Å; I520-L621 WeakPolarHBondContact O-CA 3.45Å; I520-A622 PolarHBondContact O-N 3.11Å
521G98.6Very high98.2Very high0 Ų09.7 Ų9.70%04%0.044CC..EExtended strand (participates in β ladder)trans-114.6-168.7173.600000111.5A463 S464 I465A463-G521 PolarHBondContact O-N 2.93Å; S464-G521 WeakPolarHBondContact CA-O 3.22Å; I465-G521 PolarHBondContact N-O 3.45Å
522V98.8Very high98.2Very high0 Ų09.8 Ų9.80%05%0.045CC..EExtended strand (participates in β ladder)trans-131.8166.3179.8-58.40000110.6I465 L467 F549 M552 S638 T639I465-V522 CarbonylContact O-C 3.59Å; I465-V522 WeakPolarHBondContact O-CA 3.13Å; L467-V522 HydrophobicContact CD1-CB 3.7Å; L467-V522 HydrophobicContact CD1-CG1 4.04Å; L467-V522 HydrophobicContact CD1-CG2 3.86Å; L467-V522 HydrophobicContact CD2-CB 4.29Å; L467-V522 HydrophobicContact CD2-CG1 3.98Å; L467-V522 HydrophobicContact CG-CB 3.89Å; L467-V522 HydrophobicContact CG-CG1 4.14Å; V522-F549 HydrophobicContact CG1-CE1 4Å; V522-F549 HydrophobicContact CG1-CZ 4.03Å; V522-F549 HydrophobicContact CG2-CE1 4.35Å; V522-F549 HydrophobicContact CG2-CZ 3.71Å; V522-M552 HydrophobicContact CG1-CE 3.67Å; V522-M552 HydrophobicContact CG1-SD 3.52Å; V522-M552 VanDerWaalsContact CG1-SD 3.52Å; V522-S638 WeakPolarHBondContact O-CA 3.2Å; V522-T639 HydrophobicContact CG2-CG2 3.51Å
523Q98.4Very high98.2Very high0 Ų014.5 Ų14.50%06%0.062CC..EExtended strand (participates in β ladder)trans-142.2153.5164.756.2174.8-83.700108.7S464 I465 L467 T626 S630 N635S464-Q523 PolarHBondContact OG-NE2 3.33Å; I465-Q523 WeakPolarHBondContact O-CG 2.92Å; I465-Q523 PolarHBondContact O-N 3.3Å; L467-Q523 PolarHBondContact N-O 2.92Å; Q523-T626 HydrophobicContact CB-CG2 4.2Å; Q523-S630 VanDerWaalsContact OE1-CA 3.27Å; Q523-N635 PolarHBondContact OE1-ND2 3.44Å
524G98Very high98.2Very high0 Ų014.7 Ų14.70%06%0.06CC..  trans68.541.3178.300000115.8D527 A528 N636 S638G524-D527 WeakPolarHBondContact CA-OD2 3.34Å; G524-D527 WeakPolarHBondContact O-CB 3.09Å; G524-D527 PolarHBondContact O-N 3.03Å; G524-A528 PolarHBondContact O-N 3.47Å; G524-N636 PolarHBondContact N-O 2.84Å; G524-S638 PolarHBondContact N-O 2.72Å
525L98.6Very high98.2Very high0 Ų012 Ų120%05%0.053CC..Hα-helixtrans-63-44.4170.8-173.665000111.2L467 D527 A528 F529 F536 I548 S638 T639L467-L525 HydrophobicContact CD1-CB 3.97Å; L467-L525 HydrophobicContact CD1-CD1 3.59Å; L467-L525 HydrophobicContact CD1-CG 4.4Å; L525-D527 VanDerWaalsContact C-N 3.31Å; L525-D527 PolarHBondContact O-N 3.12Å; L525-A528 PolarHBondContact O-N 3.05Å; L525-F529 HydrophobicContact CD1-CE1 3.72Å; L525-F529 HydrophobicContact CD1-CE2 4.15Å; L525-F529 HydrophobicContact CD1-CZ 3.49Å; L525-F529 VanDerWaalsContact CD1-CZ 3.49Å; L525-F529 HydrophobicContact CD2-CE2 4.09Å; L525-F529 HydrophobicContact CD2-CZ 4.02Å; L525-F529 HydrophobicContact CG-CD2 4.41Å; L525-F529 HydrophobicContact CG-CE1 4.19Å; L525-F529 HydrophobicContact CG-CE2 3.72Å; L525-F529 HydrophobicContact CG-CZ 3.59Å; L525-F529 WeakPolarHBondContact O-CG 3.19Å; L525-F529 PolarHBondContact O-N 3.05Å; L525-F536 HydrophobicContact CD2-CZ 4.32Å; L525-I548 HydrophobicContact CD1-CD1 4.07Å; L525-S638 PolarHBondContact N-O 2.7Å; L525-T639 HydrophobicContact CD2-CG2 4.14Å
526A98Very high98.2Very high2 Ų212.7 Ų12.72%0.0176%0.057CC..Hα-helixtrans-60.9-39.7174.200000112.3F529 C530 F536 N636 E640 F642A526-F529 PolarHBondContact O-N 3.4Å; A526-C530 VanDerWaalsContact O-CB 3.28Å; A526-C530 WeakPolarHBondContact O-CB 3.42Å; A526-C530 PolarHBondContact O-N 2.81Å; A526-F536 HydrophobicContact CB-CD2 4.09Å; A526-F536 HydrophobicContact CB-CE2 3.93Å; A526-N636 HydrophobicContact CB-CB 4.25Å; A526-E640 WeakPolarHBondContact CB-O 3.38Å; A526-F642 HydrophobicContact CB-CD1 4.29Å; A526-F642 HydrophobicContact CB-CD2 4.17Å; A526-F642 HydrophobicContact CB-CE1 4.05Å; A526-F642 HydrophobicContact CB-CE2 3.91Å; A526-F642 HydrophobicContact CB-CG 4.35Å; A526-F642 HydrophobicContact CB-CZ 3.84Å
527D98Very high98.2Very high5 Ų514.3 Ų14.33%0.0277%0.065CC..Hα-helixtrans-60.8-46.5175.7-52.2-104.7000111G524 L525 F529 C530 L531 N636 Y662G524-D527 WeakPolarHBondContact CA-OD2 3.34Å; G524-D527 WeakPolarHBondContact O-CB 3.09Å; G524-D527 PolarHBondContact O-N 3.03Å; L525-D527 VanDerWaalsContact C-N 3.31Å; L525-D527 PolarHBondContact O-N 3.12Å; D527-F529 PolarHBondContact O-N 3.17Å; D527-C530 PolarHBondContact O-N 3.46Å; D527-L531 WeakPolarHBondContact O-CB 3.28Å; D527-L531 WeakPolarHBondContact O-CG 3.45Å; D527-L531 PolarHBondContact O-N 2.65Å; D527-N636 PolarHBondContact OD1-N 3.44Å; D527-N636 WeakPolarHBondContact OD2-CA 3.45Å; D527-N636 WeakPolarHBondContact OD2-CB 3.25Å; D527-N636 PolarHBondContact OD2-N 3.09Å; D527-Y662 HydrophobicContact CB-CE2 4Å; D527-Y662 WeakPolarHBondContact CB-OH 3.16Å; D527-Y662 WeakPolarHBondContact OD1-CE2 3.36Å; D527-Y662 PolarHBondContact OD1-OH 2.9Å
528A98.6Very high98.1Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-61.4-45178.200000112L467 V471 F478 G524 L525 L531 L532L467-A528 HydrophobicContact CB-CB 4.01Å; V471-A528 HydrophobicContact CG2-CB 4.06Å; F478-A528 HydrophobicContact CE2-CB 4.4Å; G524-A528 PolarHBondContact O-N 3.47Å; L525-A528 PolarHBondContact O-N 3.05Å; A528-L531 PolarHBondContact O-N 2.9Å; A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 WeakPolarHBondContact O-CG 3.48Å; A528-L532 PolarHBondContact O-N 3.45Å
529F98.5Very high98.1Very high2 Ų219.6 Ų19.61%0.00910%0.1CC..Hα-helixtrans-62.8-44.6175.8-64.4-15.8000112.1L525 A526 D527 L531 L532 R533 Y534 F536 A541 L544 N545 M716L525-F529 HydrophobicContact CD1-CE1 3.72Å; L525-F529 HydrophobicContact CD1-CE2 4.15Å; L525-F529 HydrophobicContact CD1-CZ 3.49Å; L525-F529 VanDerWaalsContact CD1-CZ 3.49Å; L525-F529 HydrophobicContact CD2-CE2 4.09Å; L525-F529 HydrophobicContact CD2-CZ 4.02Å; L525-F529 HydrophobicContact CG-CD2 4.41Å; L525-F529 HydrophobicContact CG-CE1 4.19Å; L525-F529 HydrophobicContact CG-CE2 3.72Å; L525-F529 HydrophobicContact CG-CZ 3.59Å; L525-F529 WeakPolarHBondContact O-CG 3.19Å; L525-F529 PolarHBondContact O-N 3.05Å; A526-F529 PolarHBondContact O-N 3.4Å; D527-F529 PolarHBondContact O-N 3.17Å; F529-L531 VanDerWaalsContact C-N 3.35Å; F529-L531 PolarHBondContact O-N 3.16Å; F529-L532 CarbonylContact O-C 3.56Å; F529-L532 PolarHBondContact O-N 3.37Å; F529-R533 PolarHBondContact O-N 3.35Å; F529-Y534 WeakPolarHBondContact CB-O 3.4Å; F529-Y534 PolarHBondContact O-N 3.09Å; F529-F536 AromaticContact CD2-CD2 3.65Å; F529-F536 HydrophobicContact CD2-CD2 3.65Å; F529-F536 AromaticContact CD2-CE2 3.87Å; F529-F536 HydrophobicContact CD2-CE2 3.87Å; F529-F536 HydrophobicContact CD2-CG 4.11Å; F529-F536 HydrophobicContact CD2-CZ 4.49Å; F529-F536 HydrophobicContact CE2-CD2 4.08Å; F529-F536 HydrophobicContact CE2-CE1 4.44Å; F529-F536 AromaticContact CE2-CE2 3.93Å; F529-F536 HydrophobicContact CE2-CE2 3.93Å; F529-F536 HydrophobicContact CE2-CG 4.39Å; F529-F536 HydrophobicContact CE2-CZ 4.11Å; F529-A541 HydrophobicContact CD1-CB 4.26Å; F529-A541 HydrophobicContact CD2-CB 3.85Å; F529-A541 HydrophobicContact CE1-CB 4.2Å; F529-A541 HydrophobicContact CE2-CB 3.8Å; F529-A541 HydrophobicContact CG-CB 4.1Å; F529-A541 HydrophobicContact CZ-CB 3.97Å; F529-A541 VanDerWaalsContact CZ-O 3.26Å; F529-A541 WeakPolarHBondContact CZ-O 3.39Å; F529-L544 HydrophobicContact CD1-CD2 3.88Å; F529-L544 HydrophobicContact CE1-CB 4.12Å; F529-L544 HydrophobicContact CE1-CD2 3.86Å; F529-L544 HydrophobicContact CE1-CG 4.04Å; F529-N545 HydrophobicContact CZ-CB 4.12Å; F529-M716 HydrophobicContact CE2-CE 3.38Å; F529-M716 HydrophobicContact CZ-CE 3.53Å
530C97Very high98.1Very high4 Ų424.1 Ų24.13%0.02712%0.121CC..Hα-helixtrans-62.9-42.5179.5-166.40000112A526 D527 L532 R533 F642 Y662 Y702A526-C530 VanDerWaalsContact O-CB 3.28Å; A526-C530 WeakPolarHBondContact O-CB 3.42Å; A526-C530 PolarHBondContact O-N 2.81Å; D527-C530 PolarHBondContact O-N 3.46Å; C530-L532 VanDerWaalsContact C-N 3.28Å; C530-L532 PolarHBondContact O-N 3.3Å; C530-R533 PolarHBondContact O-N 3.47Å; C530-R533 VanDerWaalsContact O-N 3.11Å; C530-F642 HydrophobicContact CB-CE2 4.17Å; C530-F642 HydrophobicContact CB-CZ 4.41Å; C530-Y662 HydrophobicContact CB-CD2 4.15Å; C530-Y662 HydrophobicContact CB-CG 4.35Å; C530-Y662 WeakPolarHBondContact SG-CB 3.21Å; C530-Y702 WeakPolarHBondContact SG-CE1 3.18Å
531L97.4Very high98.1Very high26 Ų2624.1 Ų24.114%0.13612%0.121CC..Hα-helixtrans-63.7-33.8176.4-72.9167.7000112.3V471 R473 D527 A528 F529 R533 Y662V471-L531 HydrophobicContact CB-CB 4.21Å; V471-L531 HydrophobicContact CB-CD1 4.32Å; V471-L531 HydrophobicContact CG1-CB 3.75Å; V471-L531 HydrophobicContact CG2-CB 4.34Å; R473-L531 HydrophobicContact CG-CD2 4.19Å; D527-L531 WeakPolarHBondContact O-CB 3.28Å; D527-L531 WeakPolarHBondContact O-CG 3.45Å; D527-L531 PolarHBondContact O-N 2.65Å; A528-L531 PolarHBondContact O-N 2.9Å; F529-L531 VanDerWaalsContact C-N 3.35Å; F529-L531 PolarHBondContact O-N 3.16Å; L531-R533 VanDerWaalsContact C-N 3.33Å; L531-Y662 HydrophobicContact CD1-CE1 4.45Å; L531-Y662 HydrophobicContact CD2-CD1 4.09Å; L531-Y662 HydrophobicContact CD2-CE1 3.71Å; L531-Y662 HydrophobicContact CG-CD1 4.48Å; L531-Y662 HydrophobicContact CG-CE1 3.94Å
532L98.2Very high98.1Very high5 Ų526.2 Ų26.23%0.02614%0.138CC..THydrogen-bonded Turntrans-85.8-1.1175-69.1169.6000113.9V471 L476 F478 A528 F529 C530 Y534 L544V471-L532 HydrophobicContact CG1-CD2 3.66Å; V471-L532 HydrophobicContact CG1-CG 3.79Å; V471-L532 HydrophobicContact CG2-CD1 4.1Å; V471-L532 HydrophobicContact CG2-CD2 4.48Å; V471-L532 HydrophobicContact CG2-CG 3.99Å; L476-L532 HydrophobicContact CB-CD2 4.36Å; L476-L532 WeakPolarHBondContact O-CD2 3.35Å; F478-L532 HydrophobicContact CB-CD1 4.34Å; F478-L532 HydrophobicContact CD2-CD1 4.28Å; A528-L532 WeakPolarHBondContact O-CB 3.47Å; A528-L532 WeakPolarHBondContact O-CG 3.48Å; A528-L532 PolarHBondContact O-N 3.45Å; F529-L532 CarbonylContact O-C 3.56Å; F529-L532 PolarHBondContact O-N 3.37Å; C530-L532 VanDerWaalsContact C-N 3.28Å; C530-L532 PolarHBondContact O-N 3.3Å; L532-Y534 VanDerWaalsContact C-N 3.32Å; L532-Y534 HydrophobicContact CB-CD2 3.96Å; L532-Y534 HydrophobicContact CB-CE1 4.48Å; L532-Y534 HydrophobicContact CB-CE2 3.93Å; L532-Y534 HydrophobicContact CB-CG 4.24Å; L532-Y534 HydrophobicContact CD1-CD2 4.41Å; L532-Y534 HydrophobicContact CD1-CE2 4.1Å; L532-Y534 WeakPolarHBondContact O-CD1 3.16Å; L532-Y534 WeakPolarHBondContact O-CE1 3.23Å; L532-Y534 PolarHBondContact O-N 3.27Å; L532-L544 HydrophobicContact CD1-CD2 3.25Å
533R97Very high98Very high98 Ų9829.7 Ų29.737%0.3716%0.157SC..THydrogen-bonded Turntrans65.728.3-178-45.3-60.1-65.1-177.2-3.8114.3L476 F529 C530 L531 D666 L698L476-R533 HydrophobicContact CD1-CG 4.3Å; F529-R533 PolarHBondContact O-N 3.35Å; C530-R533 PolarHBondContact O-N 3.47Å; C530-R533 VanDerWaalsContact O-N 3.11Å; L531-R533 VanDerWaalsContact C-N 3.33Å; R533-D666 IonicContact CZ-OD1 3.67Å; R533-D666 IonicContact CZ-OD2 3.62Å; R533-D666 VanDerWaalsContact CZ-OD2 3.25Å; R533-D666 VanDerWaalsContact NH1-CG 3.32Å; R533-D666 IonicContact NH1-OD1 2.73Å; R533-D666 PolarHBondContact NH1-OD1 2.92Å; R533-D666 VanDerWaalsContact NH1-OD1 3.14Å; R533-D666 IonicContact NH1-OD2 2.81Å; R533-D666 PolarHBondContact NH1-OD2 2.9Å; R533-D666 IonicContact NH2-OD1 3.62Å; R533-D666 IonicContact NH2-OD2 2.82Å; R533-D666 PolarHBondContact NH2-OD2 3.18Å; R533-L698 VanDerWaalsContact NH2-CD2 3.28Å
534Y98Very high98Very high75 Ų7530.1 Ų30.129%0.29416%0.159SC..  trans-95.3119.2175.3-58-20.8000110.3F529 L532 F536 E540 L544F529-Y534 WeakPolarHBondContact CB-O 3.4Å; F529-Y534 PolarHBondContact O-N 3.09Å; L532-Y534 VanDerWaalsContact C-N 3.32Å; L532-Y534 HydrophobicContact CB-CD2 3.96Å; L532-Y534 HydrophobicContact CB-CE1 4.48Å; L532-Y534 HydrophobicContact CB-CE2 3.93Å; L532-Y534 HydrophobicContact CB-CG 4.24Å; L532-Y534 HydrophobicContact CD1-CD2 4.41Å; L532-Y534 HydrophobicContact CD1-CE2 4.1Å; L532-Y534 WeakPolarHBondContact O-CD1 3.16Å; L532-Y534 WeakPolarHBondContact O-CE1 3.23Å; L532-Y534 PolarHBondContact O-N 3.27Å; Y534-F536 PolarHBondContact O-N 3.16Å; Y534-E540 HydrophobicContact CD1-CB 3.89Å; Y534-E540 HydrophobicContact CD1-CG 4.45Å; Y534-E540 HydrophobicContact CD2-CB 3.87Å; Y534-E540 HydrophobicContact CE1-CB 4Å; Y534-E540 HydrophobicContact CE1-CG 4.35Å; Y534-E540 HydrophobicContact CE2-CB 3.96Å; Y534-E540 HydrophobicContact CG-CB 3.85Å; Y534-L544 HydrophobicContact CD2-CD2 4.26Å; Y534-L544 HydrophobicContact CE2-CD2 4.24Å
535P98.2Very high98.1Very high31 Ų3130.1 Ų30.120%0.20116%0.159CC..  trans-54.6140.7165.8-23.734.2000110.1D537 S538 A541 P700P535-D537 PolarHBondContact O-N 3Å; P535-D537 VanDerWaalsContact O-N 3.09Å; P535-S538 VanDerWaalsContact O-CB 3.26Å; P535-S538 WeakPolarHBondContact O-CB 3.34Å; P535-S538 PolarHBondContact O-N 3.05Å; P535-S538 PolarHBondContact O-OG 2.89Å; P535-A541 VanDerWaalsContact O-CB 3.31Å; P535-A541 WeakPolarHBondContact O-CB 3.36Å; P535-P700 HydrophobicContact CB-CB 4.08Å; P535-P700 HydrophobicContact CG-CB 3.83Å
536F98.2Very high98Very high16 Ų1633.8 Ų33.87%0.0718%0.175CC..THydrogen-bonded Turntrans-59.3-30.4-173.1-159.7-75.3000113L525 A526 F529 Y534 T639 P641 I708 I713 M716L525-F536 HydrophobicContact CD2-CZ 4.32Å; A526-F536 HydrophobicContact CB-CD2 4.09Å; A526-F536 HydrophobicContact CB-CE2 3.93Å; F529-F536 AromaticContact CD2-CD2 3.65Å; F529-F536 HydrophobicContact CD2-CD2 3.65Å; F529-F536 AromaticContact CD2-CE2 3.87Å; F529-F536 HydrophobicContact CD2-CE2 3.87Å; F529-F536 HydrophobicContact CD2-CG 4.11Å; F529-F536 HydrophobicContact CD2-CZ 4.49Å; F529-F536 HydrophobicContact CE2-CD2 4.08Å; F529-F536 HydrophobicContact CE2-CE1 4.44Å; F529-F536 AromaticContact CE2-CE2 3.93Å; F529-F536 HydrophobicContact CE2-CE2 3.93Å; F529-F536 HydrophobicContact CE2-CG 4.39Å; F529-F536 HydrophobicContact CE2-CZ 4.11Å; Y534-F536 PolarHBondContact O-N 3.16Å; F536-T639 WeakPolarHBondContact CZ-O 3.37Å; F536-P641 HydrophobicContact CD1-CB 4.4Å; F536-P641 HydrophobicContact CD1-CG 3.88Å; F536-P641 HydrophobicContact CD2-CB 3.96Å; F536-P641 HydrophobicContact CD2-CG 4.18Å; F536-P641 HydrophobicContact CE1-CB 4.5Å; F536-P641 HydrophobicContact CE1-CG 3.7Å; F536-P641 HydrophobicContact CE2-CB 4.05Å; F536-P641 HydrophobicContact CE2-CG 3.99Å; F536-P641 HydrophobicContact CG-CB 4.16Å; F536-P641 HydrophobicContact CG-CG 4.14Å; F536-P641 HydrophobicContact CZ-CB 4.33Å; F536-P641 HydrophobicContact CZ-CG 3.75Å; F536-I708 HydrophobicContact CB-CD1 3.78Å; F536-I708 HydrophobicContact CD1-CD1 4.21Å; F536-I708 HydrophobicContact CG-CD1 4.08Å; F536-I713 HydrophobicContact CD1-CD1 4.26Å; F536-I713 HydrophobicContact CE1-CD1 4.01Å; F536-M716 HydrophobicContact CE1-CE 4.1Å; F536-M716 HydrophobicContact CE1-CG 4.46Å
537D97.2Very high98Very high37 Ų3737.1 Ų37.120%0.19819%0.187CC..THydrogen-bonded Turntrans-93.910.8179.660.6-17000114.3P535 K703 I708 K712P535-D537 PolarHBondContact O-N 3Å; P535-D537 VanDerWaalsContact O-N 3.09Å; D537-K703 IonicContact OD1-NZ 2.91Å; D537-K703 IonicContact OD2-NZ 3.8Å; D537-K703 PolarHBondContact OD2-NZ 3.35Å; D537-I708 HydrophobicContact CB-CG2 4.23Å; D537-K712 HydrophobicContact CB-CB 4.3Å; D537-K712 HydrophobicContact CB-CG 4.17Å
538S98Very high98.1Very high13 Ų1336.9 Ų36.99%0.09119%0.186CC..SBendtrans-81.8157-178.9950000113.3P535 E540 A541 A542P535-S538 VanDerWaalsContact O-CB 3.26Å; P535-S538 WeakPolarHBondContact O-CB 3.34Å; P535-S538 PolarHBondContact O-N 3.05Å; P535-S538 PolarHBondContact O-OG 2.89Å; S538-E540 VanDerWaalsContact C-N 3.29Å; S538-E540 WeakPolarHBondContact CB-OE2 3.34Å; S538-E540 PolarHBondContact O-N 2.98Å; S538-E540 PolarHBondContact OG-N 3.36Å; S538-E540 PolarHBondContact OG-OE2 2.76Å; S538-A541 PolarHBondContact O-N 2.9Å; S538-A541 PolarHBondContact OG-N 2.8Å; S538-A542 PolarHBondContact O-N 3.35Å; S538-A542 VanDerWaalsContact O-N 3.13Å
539P98.2Very high98.1Very high98 Ų9836.9 Ų36.964%0.63619%0.186SC*.Hα-helixtrans-58.5-37.4173.4-24.135.1000113.7A542 D543P539-A542 WeakPolarHBondContact O-CB 3.47Å; P539-A542 PolarHBondContact O-N 3.42Å; P539-D543 PolarHBondContact O-N 2.86Å
540E98Very high98.1Very high95 Ų9537 Ų3744%0.44419%0.186SC..Hα-helixtrans-66.6-40.6179.6-55.475.6-16500111.4Y534 S538 A542 D543 L544Y534-E540 HydrophobicContact CD1-CB 3.89Å; Y534-E540 HydrophobicContact CD1-CG 4.45Å; Y534-E540 HydrophobicContact CD2-CB 3.87Å; Y534-E540 HydrophobicContact CE1-CB 4Å; Y534-E540 HydrophobicContact CE1-CG 4.35Å; Y534-E540 HydrophobicContact CE2-CB 3.96Å; Y534-E540 HydrophobicContact CG-CB 3.85Å; S538-E540 VanDerWaalsContact C-N 3.29Å; S538-E540 WeakPolarHBondContact CB-OE2 3.34Å; S538-E540 PolarHBondContact O-N 2.98Å; S538-E540 PolarHBondContact OG-N 3.36Å; S538-E540 PolarHBondContact OG-OE2 2.76Å; E540-A542 VanDerWaalsContact C-N 3.32Å; E540-D543 PolarHBondContact O-N 3.02Å; E540-L544 WeakPolarHBondContact O-CB 3.41Å; E540-L544 PolarHBondContact O-N 3.38Å
541A98.6Very high98.2Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-62.9-39.8172.900000111.6F529 P535 S538 N545 M716F529-A541 HydrophobicContact CD1-CB 4.26Å; F529-A541 HydrophobicContact CD2-CB 3.85Å; F529-A541 HydrophobicContact CE1-CB 4.2Å; F529-A541 HydrophobicContact CE2-CB 3.8Å; F529-A541 HydrophobicContact CG-CB 4.1Å; F529-A541 HydrophobicContact CZ-CB 3.97Å; F529-A541 VanDerWaalsContact CZ-O 3.26Å; F529-A541 WeakPolarHBondContact CZ-O 3.39Å; P535-A541 VanDerWaalsContact O-CB 3.31Å; P535-A541 WeakPolarHBondContact O-CB 3.36Å; S538-A541 PolarHBondContact O-N 2.9Å; S538-A541 PolarHBondContact OG-N 2.8Å; A541-N545 VanDerWaalsContact O-CB 3.28Å; A541-N545 WeakPolarHBondContact O-CB 3.25Å; A541-N545 PolarHBondContact O-N 3.3Å; A541-M716 HydrophobicContact CB-CE 4.5Å
542A98.5Very high98.3Very high43 Ų4335.8 Ų35.836%0.35518%0.18SC..Hα-helixtrans-65.9-42.1177.100000113.1S538 P539 E540 K546 M716S538-A542 PolarHBondContact O-N 3.35Å; S538-A542 VanDerWaalsContact O-N 3.13Å; P539-A542 WeakPolarHBondContact O-CB 3.47Å; P539-A542 PolarHBondContact O-N 3.42Å; E540-A542 VanDerWaalsContact C-N 3.32Å; A542-K546 PolarHBondContact O-N 2.9Å; A542-K546 VanDerWaalsContact O-N 3.1Å; A542-M716 VanDerWaalsContact CA-SD 3.53Å; A542-M716 HydrophobicContact CB-SD 3.88Å
543D98Very high98.3Very high74 Ų7435.7 Ų35.740%0.39618%0.179SC..Hα-helixtrans-63.4-48.7174.1-177.966.8000111.3P539 E540 N545 K546 R547P539-D543 PolarHBondContact O-N 2.86Å; E540-D543 PolarHBondContact O-N 3.02Å; D543-N545 VanDerWaalsContact C-N 3.33Å; D543-N545 PolarHBondContact O-N 3.3Å; D543-K546 WeakPolarHBondContact O-CB 3.36Å; D543-K546 PolarHBondContact O-N 2.88Å; D543-K546 VanDerWaalsContact O-N 3.1Å; D543-R547 WeakPolarHBondContact O-CG 3.28Å; D543-R547 PolarHBondContact O-N 3.42Å; D543-R547 VanDerWaalsContact OD2-CD 3.25Å; D543-R547 WeakPolarHBondContact OD2-CD 3.39Å
544L98.5Very high98.4Very high8 Ų832 Ų324%0.04217%0.166CC..Hα-helixtrans-61.7-41.1179179.859000112F478 F480 F529 L532 Y534 E540 K546 R547 I548F478-L544 HydrophobicContact CB-CD1 4.07Å; F478-L544 HydrophobicContact CD1-CD1 4.4Å; F478-L544 HydrophobicContact CD2-CD1 4.12Å; F478-L544 HydrophobicContact CD2-CD2 4.37Å; F478-L544 HydrophobicContact CG-CD1 3.94Å; F480-L544 HydrophobicContact CE1-CD1 4.2Å; F480-L544 HydrophobicContact CZ-CD1 3.61Å; F529-L544 HydrophobicContact CD1-CD2 3.88Å; F529-L544 HydrophobicContact CE1-CB 4.12Å; F529-L544 HydrophobicContact CE1-CD2 3.86Å; F529-L544 HydrophobicContact CE1-CG 4.04Å; L532-L544 HydrophobicContact CD1-CD2 3.25Å; Y534-L544 HydrophobicContact CD2-CD2 4.26Å; Y534-L544 HydrophobicContact CE2-CD2 4.24Å; E540-L544 WeakPolarHBondContact O-CB 3.41Å; E540-L544 PolarHBondContact O-N 3.38Å; L544-K546 PolarHBondContact O-N 3.45Å; L544-R547 PolarHBondContact O-N 2.83Å; L544-I548 HydrophobicContact CD1-CD1 3.91Å; L544-I548 HydrophobicContact CD1-CG1 3.93Å; L544-I548 HydrophobicContact CD2-CD1 4.47Å; L544-I548 HydrophobicContact CG-CD1 3.78Å; L544-I548 HydrophobicContact CG-CG1 4.28Å; L544-I548 WeakPolarHBondContact O-CB 3.33Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.36Å; L544-I548 PolarHBondContact O-N 2.95Å
545N98.7Very high98.4Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-54.1-51.5171.9169.479.6000110.8F529 A541 D543 R547 I548 F549 M716 R720F529-N545 HydrophobicContact CZ-CB 4.12Å; A541-N545 VanDerWaalsContact O-CB 3.28Å; A541-N545 WeakPolarHBondContact O-CB 3.25Å; A541-N545 PolarHBondContact O-N 3.3Å; D543-N545 VanDerWaalsContact C-N 3.33Å; D543-N545 PolarHBondContact O-N 3.3Å; N545-R547 PolarHBondContact O-N 2.83Å; N545-I548 PolarHBondContact O-N 3.34Å; N545-F549 VanDerWaalsContact O-CD2 3.25Å; N545-F549 WeakPolarHBondContact O-CD2 3.12Å; N545-F549 PolarHBondContact O-N 3.48Å; N545-M716 HydrophobicContact CB-CE 3.58Å; N545-M716 HydrophobicContact CB-SD 4.05Å; N545-M716 PolarHBondContact ND2-O 2.98Å; N545-R720 PolarHBondContact OD1-NH1 3.34Å; N545-R720 VanDerWaalsContact OD1-NH1 3.13Å
546K98.1Very high98.5Very high77 Ų7727 Ų2734%0.33514%0.142SC..Hα-helixtrans-57.2-50178-173.5-175.9172.7-176.90111.4A542 D543 L544 I548 F549 E550 F723A542-K546 PolarHBondContact O-N 2.9Å; A542-K546 VanDerWaalsContact O-N 3.1Å; D543-K546 WeakPolarHBondContact O-CB 3.36Å; D543-K546 PolarHBondContact O-N 2.88Å; D543-K546 VanDerWaalsContact O-N 3.1Å; L544-K546 PolarHBondContact O-N 3.45Å; K546-I548 PolarHBondContact O-N 3.38Å; K546-F549 PolarHBondContact O-N 3.21Å; K546-E550 WeakPolarHBondContact O-CB 3.41Å; K546-E550 PolarHBondContact O-N 3.41Å; K546-F723 HydrophobicContact CG-CE2 3.73Å; K546-F723 HydrophobicContact CG-CZ 4.45Å
547R98.1Very high98.5Very high73 Ų7326.2 Ų26.228%0.27514%0.139SC..Hα-helixtrans-65.7-36.8-176.1-69.5-176.364.8-174.51.5113.9F480 D543 L544 N545 T551F480-R547 HydrophobicContact CE1-CB 3.7Å; F480-R547 HydrophobicContact CZ-CB 3.83Å; D543-R547 WeakPolarHBondContact O-CG 3.28Å; D543-R547 PolarHBondContact O-N 3.42Å; D543-R547 VanDerWaalsContact OD2-CD 3.25Å; D543-R547 WeakPolarHBondContact OD2-CD 3.39Å; L544-R547 PolarHBondContact O-N 2.83Å; N545-R547 PolarHBondContact O-N 2.83Å; R547-T551 VanDerWaalsContact O-CB 3.29Å; R547-T551 WeakPolarHBondContact O-CB 3.48Å; R547-T551 PolarHBondContact O-N 3.5Å; R547-T551 PolarHBondContact O-OG1 2.88Å
548I98.8Very high98.6Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-59.3-51.6175.7-75.3167.4000109.9L467 F478 F480 L483 L525 L544 N545 K546 T551 M552L467-I548 HydrophobicContact CD1-CD1 4.21Å; L467-I548 HydrophobicContact CD1-CG2 4.32Å; L467-I548 HydrophobicContact CD2-CD1 4.32Å; L467-I548 HydrophobicContact CD2-CG2 3.67Å; F478-I548 HydrophobicContact CE1-CG1 4.02Å; F478-I548 HydrophobicContact CE2-CD1 3.88Å; F478-I548 HydrophobicContact CE2-CG1 4.26Å; F478-I548 HydrophobicContact CZ-CD1 3.87Å; F478-I548 HydrophobicContact CZ-CG1 3.8Å; F480-I548 HydrophobicContact CE1-CG1 4.38Å; L483-I548 HydrophobicContact CD2-CB 4.49Å; L483-I548 HydrophobicContact CD2-CG2 4.19Å; L525-I548 HydrophobicContact CD1-CD1 4.07Å; L544-I548 HydrophobicContact CD1-CD1 3.91Å; L544-I548 HydrophobicContact CD1-CG1 3.93Å; L544-I548 HydrophobicContact CD2-CD1 4.47Å; L544-I548 HydrophobicContact CG-CD1 3.78Å; L544-I548 HydrophobicContact CG-CG1 4.28Å; L544-I548 WeakPolarHBondContact O-CB 3.33Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.36Å; L544-I548 PolarHBondContact O-N 2.95Å; N545-I548 PolarHBondContact O-N 3.34Å; K546-I548 PolarHBondContact O-N 3.38Å; I548-T551 PolarHBondContact O-N 3.34Å; I548-M552 HydrophobicContact CG2-SD 3.88Å; I548-M552 WeakPolarHBondContact O-CG 3.45Å; I548-M552 PolarHBondContact O-N 3.05Å
549F98.9Very high98.6Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-72.3-35-176.7-73.9-76.4000112.7V522 N545 K546 M552 Y553 L621 P623 T639 R720 F723 I724V522-F549 HydrophobicContact CG1-CE1 4Å; V522-F549 HydrophobicContact CG1-CZ 4.03Å; V522-F549 HydrophobicContact CG2-CE1 4.35Å; V522-F549 HydrophobicContact CG2-CZ 3.71Å; N545-F549 VanDerWaalsContact O-CD2 3.25Å; N545-F549 WeakPolarHBondContact O-CD2 3.12Å; N545-F549 PolarHBondContact O-N 3.48Å; K546-F549 PolarHBondContact O-N 3.21Å; F549-M552 PolarHBondContact O-N 3.37Å; F549-Y553 WeakPolarHBondContact O-CB 3.49Å; F549-Y553 PolarHBondContact O-N 2.92Å; F549-L621 HydrophobicContact CD1-CD2 4.11Å; F549-P623 HydrophobicContact CE1-CG 3.64Å; F549-P623 HydrophobicContact CZ-CG 4.11Å; F549-T639 HydrophobicContact CE2-CG2 4.12Å; F549-T639 HydrophobicContact CZ-CG2 3.64Å; F549-R720 HydrophobicContact CB-CB 3.91Å; F549-R720 HydrophobicContact CD2-CB 3.34Å; F549-R720 HydrophobicContact CD2-CG 4.08Å; F549-R720 HydrophobicContact CE2-CB 4.01Å; F549-R720 HydrophobicContact CE2-CG 4.27Å; F549-R720 HydrophobicContact CG-CB 3.69Å; F549-F723 HydrophobicContact CB-CB 3.99Å; F549-F723 HydrophobicContact CB-CD2 4.24Å; F549-F723 WeakPolarHBondContact O-CB 3.38Å; F549-I724 HydrophobicContact CD1-CD1 4.44Å; F549-I724 HydrophobicContact CD1-CG1 4.36Å
550E98.7Very high98.7Very high3 Ų320.6 Ų20.61%0.01410%0.104CC..Hα-helixtrans-55.8-51.3169.3-175.3-169172.200111.1K546 M552 Y553 F554 S599 L601 W603 F723K546-E550 WeakPolarHBondContact O-CB 3.41Å; K546-E550 PolarHBondContact O-N 3.41Å; E550-M552 VanDerWaalsContact C-N 3.33Å; E550-M552 PolarHBondContact O-N 3.27Å; E550-Y553 PolarHBondContact O-N 2.93Å; E550-F554 WeakPolarHBondContact O-CB 3.17Å; E550-F554 PolarHBondContact O-N 3.24Å; E550-S599 WeakPolarHBondContact OE1-CB 3.18Å; E550-S599 PolarHBondContact OE1-OG 3.35Å; E550-L601 HydrophobicContact CG-CD1 4.13Å; E550-W603 HydrophobicContact CG-CZ2 3.84Å; E550-W603 PolarHBondContact OE1-NE1 3Å; E550-W603 VanDerWaalsContact OE1-NE1 3.13Å; E550-F723 HydrophobicContact CB-CD1 4.03Å; E550-F723 HydrophobicContact CB-CD2 4.09Å; E550-F723 HydrophobicContact CB-CE1 3.81Å; E550-F723 HydrophobicContact CB-CE2 3.88Å; E550-F723 HydrophobicContact CB-CG 4.16Å; E550-F723 HydrophobicContact CB-CZ 3.73Å; E550-F723 HydrophobicContact CG-CD1 4.18Å; E550-F723 HydrophobicContact CG-CE1 3.69Å; E550-F723 HydrophobicContact CG-CZ 3.89Å
551T98.9Very high98.7Very high5 Ų516.1 Ų16.13%0.0318%0.083CC..Hα-helixtrans-60.8-43.5-178.6-59.10000111.5F480 L483 Q484 R547 I548 A555F480-T551 HydrophobicContact CB-CG2 4.43Å; F480-T551 HydrophobicContact CD1-CG2 4.33Å; F480-T551 WeakPolarHBondContact CD1-OG1 3.41Å; L483-T551 HydrophobicContact CB-CG2 4.29Å; L483-T551 HydrophobicContact CD2-CG2 3.92Å; L483-T551 HydrophobicContact CG-CG2 4.08Å; Q484-T551 HydrophobicContact CG-CG2 3.4Å; R547-T551 VanDerWaalsContact O-CB 3.29Å; R547-T551 WeakPolarHBondContact O-CB 3.48Å; R547-T551 PolarHBondContact O-N 3.5Å; R547-T551 PolarHBondContact O-OG1 2.88Å; I548-T551 PolarHBondContact O-N 3.34Å; T551-A555 VanDerWaalsContact O-CB 3.22Å; T551-A555 WeakPolarHBondContact O-CB 3.46Å; T551-A555 PolarHBondContact O-N 2.98Å
552M98.9Very high98.7Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-65.8-46.4177.8-72.517357.600111.8I465 L483 T487 I520 V522 I548 F549 E550 A555 S556 L621I465-M552 HydrophobicContact CD1-CE 3.96Å; I465-M552 HydrophobicContact CD1-CG 4.41Å; I465-M552 HydrophobicContact CD1-SD 4.37Å; L483-M552 HydrophobicContact CD1-CG 3.93Å; L483-M552 HydrophobicContact CD1-SD 4.38Å; L483-M552 HydrophobicContact CD2-CG 4.1Å; L483-M552 HydrophobicContact CG-CG 4.11Å; T487-M552 HydrophobicContact CG2-CB 4.28Å; T487-M552 WeakPolarHBondContact CG2-O 3.36Å; I520-M552 HydrophobicContact CB-CE 4.45Å; I520-M552 HydrophobicContact CG2-CE 3.58Å; V522-M552 HydrophobicContact CG1-CE 3.67Å; V522-M552 HydrophobicContact CG1-SD 3.52Å; V522-M552 VanDerWaalsContact CG1-SD 3.52Å; I548-M552 HydrophobicContact CG2-SD 3.88Å; I548-M552 WeakPolarHBondContact O-CG 3.45Å; I548-M552 PolarHBondContact O-N 3.05Å; F549-M552 PolarHBondContact O-N 3.37Å; E550-M552 VanDerWaalsContact C-N 3.33Å; E550-M552 PolarHBondContact O-N 3.27Å; M552-A555 PolarHBondContact O-N 3.19Å; M552-S556 VanDerWaalsContact O-CB 3.27Å; M552-S556 WeakPolarHBondContact O-CB 3.46Å; M552-S556 PolarHBondContact O-N 2.79Å; M552-S556 PolarHBondContact O-OG 3Å; M552-L621 HydrophobicContact CB-CD2 3.91Å; M552-L621 HydrophobicContact CE-CD2 4.45Å
553Y98.9Very high98.7Very high4 Ų418.4 Ų18.42%0.0169%0.087CC..Hα-helixtrans-62.3-47.8179.9-170.9-123.7000111F549 E550 A555 S556 L557 Q584 P585 W603 L620 L621 F723 D725F549-Y553 WeakPolarHBondContact O-CB 3.49Å; F549-Y553 PolarHBondContact O-N 2.92Å; E550-Y553 PolarHBondContact O-N 2.93Å; Y553-A555 PolarHBondContact O-N 3.49Å; Y553-S556 PolarHBondContact O-N 3.15Å; Y553-S556 PolarHBondContact O-OG 3.29Å; Y553-L557 HydrophobicContact CD1-CD1 3.9Å; Y553-L557 HydrophobicContact CE1-CD1 3.46Å; Y553-L557 VanDerWaalsContact CE1-CD1 3.46Å; Y553-L557 HydrophobicContact CE1-CG 4.28Å; Y553-L557 HydrophobicContact CE2-CD1 4.24Å; Y553-L557 HydrophobicContact CE2-CG 4.19Å; Y553-L557 HydrophobicContact CG-CD1 4.41Å; Y553-L557 WeakPolarHBondContact O-CB 3.36Å; Y553-L557 WeakPolarHBondContact O-CG 3.19Å; Y553-L557 PolarHBondContact O-N 3.28Å; Y553-Q584 HydrophobicContact CD1-CB 4.46Å; Y553-Q584 HydrophobicContact CE1-CB 3.6Å; Y553-Q584 HydrophobicContact CE2-CB 4.28Å; Y553-Q584 VanDerWaalsContact CZ-CB 3.48Å; Y553-Q584 VanDerWaalsContact OH-CB 3.32Å; Y553-Q584 WeakPolarHBondContact OH-CB 3.17Å; Y553-Q584 PolarHBondContact OH-N 3.02Å; Y553-P585 HydrophobicContact CE1-CG 4.45Å; Y553-W603 AromaticContact CD1-CH2 3.71Å; Y553-W603 HydrophobicContact CD1-CH2 3.71Å; Y553-W603 HydrophobicContact CD1-CZ3 4.26Å; Y553-W603 HydrophobicContact CE1-CH2 4.32Å; Y553-W603 HydrophobicContact CE1-CZ3 4.43Å; Y553-L620 HydrophobicContact CD2-CD1 4.32Å; Y553-L620 HydrophobicContact CE2-CB 4.47Å; Y553-L620 HydrophobicContact CE2-CD1 3.92Å; Y553-L621 HydrophobicContact CD2-CD1 4.31Å; Y553-F723 WeakPolarHBondContact CB-O 3.4Å; Y553-F723 HydrophobicContact CD1-CD1 4.43Å; Y553-F723 HydrophobicContact CG-CB 4.33Å; Y553-D725 HydrophobicContact CE2-CB 4.13Å
554F98.8Very high98.8Very high20 Ų2015.2 Ų15.29%0.0887%0.07CC..Hα-helixtrans-55.3-51.9175-176.4-85.8000112.3E550 S556 L557 D558 L601 D602 W603 L606E550-F554 WeakPolarHBondContact O-CB 3.17Å; E550-F554 PolarHBondContact O-N 3.24Å; F554-S556 VanDerWaalsContact C-N 3.33Å; F554-S556 PolarHBondContact O-N 3.19Å; F554-L557 PolarHBondContact O-N 2.94Å; F554-D558 WeakPolarHBondContact O-CB 3.49Å; F554-D558 PolarHBondContact O-N 3.47Å; F554-L601 HydrophobicContact CB-CD1 3.96Å; F554-L601 HydrophobicContact CD1-CB 4.43Å; F554-L601 HydrophobicContact CD1-CD1 4.44Å; F554-L601 HydrophobicContact CD1-CD2 3.95Å; F554-L601 HydrophobicContact CD2-CB 3.9Å; F554-L601 HydrophobicContact CD2-CD1 4.44Å; F554-L601 HydrophobicContact CE1-CB 4.48Å; F554-L601 HydrophobicContact CE1-CD2 4.17Å; F554-L601 HydrophobicContact CE2-CB 3.95Å; F554-L601 HydrophobicContact CG-CB 4.15Å; F554-L601 HydrophobicContact CG-CD1 4.03Å; F554-L601 HydrophobicContact CG-CD2 4.33Å; F554-L601 HydrophobicContact CG-CG 4.41Å; F554-L601 HydrophobicContact CZ-CB 4.25Å; F554-D602 WeakPolarHBondContact CE2-O 3.39Å; F554-W603 HydrophobicContact CB-CH2 3.95Å; F554-W603 HydrophobicContact CB-CZ2 3.89Å; F554-W603 AromaticContact CD2-CD2 3.88Å; F554-W603 HydrophobicContact CD2-CD2 3.88Å; F554-W603 AromaticContact CD2-CE2 3.83Å; F554-W603 HydrophobicContact CD2-CE3 4.1Å; F554-W603 HydrophobicContact CD2-CG 4.36Å; F554-W603 HydrophobicContact CD2-CH2 4.14Å; F554-W603 AromaticContact CD2-CZ2 3.98Å; F554-W603 HydrophobicContact CD2-CZ2 3.98Å; F554-W603 HydrophobicContact CD2-CZ3 4.23Å; F554-W603 HydrophobicContact CE2-CD2 4.41Å; F554-W603 HydrophobicContact CG-CZ2 4.45Å; F554-L606 HydrophobicContact CD2-CD2 3.48Å; F554-L606 VanDerWaalsContact CD2-CD2 3.48Å; F554-L606 HydrophobicContact CE2-CB 3.77Å; F554-L606 HydrophobicContact CE2-CD2 3.53Å; F554-L606 HydrophobicContact CE2-CG 4.29Å; F554-L606 HydrophobicContact CG-CD2 4.01Å; F554-L606 HydrophobicContact CZ-CB 4.1Å; F554-L606 HydrophobicContact CZ-CD2 4.08Å
555A98.9Very high98.8Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-64.4-37.1-178.100000112.7Q484 T487 K488 T551 M552 Y553 D558 A559Q484-A555 HydrophobicContact CB-CB 4.06Å; Q484-A555 HydrophobicContact CG-CB 4.15Å; T487-A555 HydrophobicContact CG2-CB 4.01Å; K488-A555 HydrophobicContact CG-CB 4.22Å; K488-A555 WeakPolarHBondContact CG-O 3.5Å; T551-A555 VanDerWaalsContact O-CB 3.22Å; T551-A555 WeakPolarHBondContact O-CB 3.46Å; T551-A555 PolarHBondContact O-N 2.98Å; M552-A555 PolarHBondContact O-N 3.19Å; Y553-A555 PolarHBondContact O-N 3.49Å; A555-D558 PolarHBondContact O-N 3.17Å; A555-A559 PolarHBondContact O-N 2.75Å
556S98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-71.3-38.1178.168.30000112.5T491 M552 Y553 F554 S560 L621T491-S556 WeakPolarHBondContact OG1-CA 3.37Å; T491-S556 WeakPolarHBondContact OG1-CB 3.43Å; M552-S556 VanDerWaalsContact O-CB 3.27Å; M552-S556 WeakPolarHBondContact O-CB 3.46Å; M552-S556 PolarHBondContact O-N 2.79Å; M552-S556 PolarHBondContact O-OG 3Å; Y553-S556 PolarHBondContact O-N 3.15Å; Y553-S556 PolarHBondContact O-OG 3.29Å; F554-S556 VanDerWaalsContact C-N 3.33Å; F554-S556 PolarHBondContact O-N 3.19Å; S556-S560 VanDerWaalsContact O-CB 3.22Å; S556-S560 WeakPolarHBondContact O-CB 3.39Å; S556-S560 PolarHBondContact O-N 3.41Å; S556-L621 WeakPolarHBondContact OG-CD1 3.33Å
557L98.9Very high98.7Very high1 Ų122.6 Ų22.61%0.00511%0.113CC..Hα-helixtrans-61.7-44.8170.2-80.9171.6000111.3Y553 F554 S560 C561 L583 W603 L606 I610 L615 L620Y553-L557 HydrophobicContact CD1-CD1 3.9Å; Y553-L557 HydrophobicContact CE1-CD1 3.46Å; Y553-L557 VanDerWaalsContact CE1-CD1 3.46Å; Y553-L557 HydrophobicContact CE1-CG 4.28Å; Y553-L557 HydrophobicContact CE2-CD1 4.24Å; Y553-L557 HydrophobicContact CE2-CG 4.19Å; Y553-L557 HydrophobicContact CG-CD1 4.41Å; Y553-L557 WeakPolarHBondContact O-CB 3.36Å; Y553-L557 WeakPolarHBondContact O-CG 3.19Å; Y553-L557 PolarHBondContact O-N 3.28Å; F554-L557 PolarHBondContact O-N 2.94Å; L557-S560 PolarHBondContact O-N 3.04Å; L557-C561 VanDerWaalsContact O-CB 3.3Å; L557-C561 WeakPolarHBondContact O-CB 3.42Å; L557-C561 PolarHBondContact O-N 3.31Å; L557-L583 HydrophobicContact CD1-CD1 4.28Å; L557-L583 HydrophobicContact CD1-CD2 4.31Å; L557-L583 HydrophobicContact CD2-CD2 4.46Å; L557-W603 HydrophobicContact CD1-CH2 4.44Å; L557-W603 HydrophobicContact CD1-CZ3 3.92Å; L557-L606 HydrophobicContact CB-CD1 4.49Å; L557-L606 HydrophobicContact CB-CD2 3.86Å; L557-L606 HydrophobicContact CD1-CD2 4.2Å; L557-I610 HydrophobicContact CB-CD1 4.33Å; L557-I610 HydrophobicContact CD1-CD1 4.49Å; L557-I610 HydrophobicContact CD2-CD1 4.06Å; L557-L615 HydrophobicContact CD2-CD1 3.58Å; L557-L615 HydrophobicContact CD2-CD2 4.12Å; L557-L620 HydrophobicContact CB-CD1 4.38Å; L557-L620 HydrophobicContact CD2-CD1 3.56Å; L557-L620 HydrophobicContact CG-CD1 3.67Å
558D98.9Very high98.7Very high23 Ų2320.8 Ų20.812%0.12312%0.117CC..Hα-helixtrans-61.3-46.6178-177.438.7000111.9K488 F554 A555 C561 Q562 L606 R609K488-D558 WeakPolarHBondContact CE-OD2 3.32Å; K488-D558 IonicContact NZ-OD2 2.89Å; K488-D558 PolarHBondContact NZ-OD2 3.3Å; F554-D558 WeakPolarHBondContact O-CB 3.49Å; F554-D558 PolarHBondContact O-N 3.47Å; A555-D558 PolarHBondContact O-N 3.17Å; D558-C561 PolarHBondContact O-N 3.22Å; D558-Q562 PolarHBondContact O-N 3Å; D558-L606 HydrophobicContact CB-CD1 4.03Å; D558-R609 IonicContact OD1-CZ 3.78Å; D558-R609 IonicContact OD1-NH1 2.82Å; D558-R609 PolarHBondContact OD1-NH1 3.41Å; D558-R609 IonicContact OD1-NH2 3.71Å
559A98.9Very high98.7Very high7 Ų723.2 Ų23.26%0.05813%0.132CC..Hα-helixtrans-63.4-41.6174.600000112.7K488 T491 A555 C561 Q562 L563K488-A559 HydrophobicContact CB-CB 4.02Å; K488-A559 HydrophobicContact CG-CB 4.01Å; T491-A559 HydrophobicContact CG2-CB 3.72Å; A555-A559 PolarHBondContact O-N 2.75Å; A559-C561 VanDerWaalsContact C-N 3.33Å; A559-Q562 PolarHBondContact O-N 2.85Å; A559-L563 VanDerWaalsContact O-CG 3.3Å; A559-L563 WeakPolarHBondContact O-CG 3.39Å; A559-L563 PolarHBondContact O-N 3.41Å
560S98.9Very high98.7Very high0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-64.7-36.9176.7178.60000112S556 L557 L563 A564 R616 N617S556-S560 VanDerWaalsContact O-CB 3.22Å; S556-S560 WeakPolarHBondContact O-CB 3.39Å; S556-S560 PolarHBondContact O-N 3.41Å; L557-S560 PolarHBondContact O-N 3.04Å; S560-L563 PolarHBondContact O-N 2.69Å; S560-A564 PolarHBondContact O-N 3.41Å; S560-R616 WeakPolarHBondContact O-CB 3.32Å; S560-R616 PolarHBondContact O-N 2.93Å; S560-R616 PolarHBondContact OG-N 3.06Å; S560-R616 VanDerWaalsContact OG-N 3.11Å; S560-N617 PolarHBondContact OG-N 2.92Å
561C98.9Very high98.7Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-67.3-43.9173.9-172.20000111.2L557 D558 A559 L563 A564 V565 I610 G614 L615L557-C561 VanDerWaalsContact O-CB 3.3Å; L557-C561 WeakPolarHBondContact O-CB 3.42Å; L557-C561 PolarHBondContact O-N 3.31Å; D558-C561 PolarHBondContact O-N 3.22Å; A559-C561 VanDerWaalsContact C-N 3.33Å; C561-L563 VanDerWaalsContact C-N 3.33Å; C561-L563 PolarHBondContact O-N 3.16Å; C561-A564 WeakPolarHBondContact O-CA 3.3Å; C561-A564 WeakPolarHBondContact O-CB 3.46Å; C561-A564 PolarHBondContact O-N 2.78Å; C561-V565 WeakPolarHBondContact O-CG2 3.47Å; C561-V565 PolarHBondContact O-N 2.83Å; C561-I610 HydrophobicContact CB-CG1 4.23Å; C561-G614 WeakPolarHBondContact CA-O 3.31Å; C561-G614 PolarHBondContact SG-O 3.38Å; C561-G614 VanDerWaalsContact SG-O 3.4Å; C561-L615 HydrophobicContact CB-CD2 3.89Å
562Q98.8Very high98.6Very high80 Ų8030.5 Ų30.537%0.37417%0.167SC..Hα-helixtrans-60.7-42.9174.6-173.956.850.600111.8D558 A559 A564 V565 D566D558-Q562 PolarHBondContact O-N 3Å; A559-Q562 PolarHBondContact O-N 2.85Å; Q562-A564 PolarHBondContact O-N 2.9Å; Q562-V565 WeakPolarHBondContact O-CB 3.44Å; Q562-V565 PolarHBondContact O-N 3.33Å; Q562-V565 VanDerWaalsContact O-N 3.12Å; Q562-D566 PolarHBondContact NE2-OD1 2.65Å; Q562-D566 VanDerWaalsContact NE2-OD1 3.17Å; Q562-D566 PolarHBondContact O-N 3.07Å; Q562-D566 VanDerWaalsContact O-N 3.16Å
563L98.8Very high98.6Very high12 Ų1231.6 Ų31.66%0.06317%0.171CC..Hα-helixtrans-61-32.7174-72167.4000112.4T491 R492 N495 A559 S560 C561 D566 Q567 R616T491-L563 HydrophobicContact CG2-CD1 4.42Å; R492-L563 HydrophobicContact CG-CD1 4.42Å; R492-L563 HydrophobicContact CG-CD2 4.36Å; N495-L563 HydrophobicContact CB-CD1 3.89Å; A559-L563 VanDerWaalsContact O-CG 3.3Å; A559-L563 WeakPolarHBondContact O-CG 3.39Å; A559-L563 PolarHBondContact O-N 3.41Å; S560-L563 PolarHBondContact O-N 2.69Å; C561-L563 VanDerWaalsContact C-N 3.33Å; C561-L563 PolarHBondContact O-N 3.16Å; L563-D566 PolarHBondContact O-N 3.24Å; L563-Q567 WeakPolarHBondContact O-CB 3.5Å; L563-Q567 PolarHBondContact O-N 3Å; L563-R616 HydrophobicContact CB-CB 3.52Å; L563-R616 HydrophobicContact CB-CG 3.81Å; L563-R616 HydrophobicContact CD1-CB 4.47Å
564A98.7Very high98.6Very high6 Ų638.8 Ų38.85%0.0521%0.205CC..Hα-helixtrans-71-33.8175.300000112.6S560 C561 Q562 D566 G568 T569 Y613 R616S560-A564 PolarHBondContact O-N 3.41Å; C561-A564 WeakPolarHBondContact O-CA 3.3Å; C561-A564 WeakPolarHBondContact O-CB 3.46Å; C561-A564 PolarHBondContact O-N 2.78Å; Q562-A564 PolarHBondContact O-N 2.9Å; A564-D566 VanDerWaalsContact C-N 3.27Å; A564-D566 PolarHBondContact O-N 3.41Å; A564-G568 WeakPolarHBondContact O-CA 3.41Å; A564-G568 PolarHBondContact O-N 2.95Å; A564-T569 HydrophobicContact CB-CG2 4.38Å; A564-Y613 WeakPolarHBondContact CB-O 3.45Å; A564-R616 HydrophobicContact CB-CB 4.49Å
565V98.7Very high98.5Very high61 Ų6138.9 Ų38.937%0.3721%0.211SC..Hα-helixtrans-58.3-44.6170.1178.20000110.2C561 Q562 Y613C561-V565 WeakPolarHBondContact O-CG2 3.47Å; C561-V565 PolarHBondContact O-N 2.83Å; Q562-V565 WeakPolarHBondContact O-CB 3.44Å; Q562-V565 PolarHBondContact O-N 3.33Å; Q562-V565 VanDerWaalsContact O-N 3.12Å; V565-Y613 HydrophobicContact CG2-CD1 3.71Å; V565-Y613 HydrophobicContact CG2-CD2 3.88Å; V565-Y613 HydrophobicContact CG2-CE1 4.17Å; V565-Y613 HydrophobicContact CG2-CE2 4.35Å; V565-Y613 HydrophobicContact CG2-CG 3.53Å
566D98Very high98.5Very high104 Ų10438.9 Ų38.956%0.55621%0.211SC*.Hα-helixtrans-83.3-32.3-172.1-56.7-26.5000112.9Q562 L563 A564Q562-D566 PolarHBondContact NE2-OD1 2.65Å; Q562-D566 VanDerWaalsContact NE2-OD1 3.17Å; Q562-D566 PolarHBondContact O-N 3.07Å; Q562-D566 VanDerWaalsContact O-N 3.16Å; L563-D566 PolarHBondContact O-N 3.24Å; A564-D566 VanDerWaalsContact C-N 3.27Å; A564-D566 PolarHBondContact O-N 3.41Å
567Q97.6Very high98.5Very high76 Ų7639.1 Ų39.136%0.35521%0.213SC..Hα-helixtrans-130.61.3-167.2-57.5171.937.200114.1L563 R616L563-Q567 WeakPolarHBondContact O-CB 3.5Å; L563-Q567 PolarHBondContact O-N 3Å; Q567-R616 PolarHBondContact O-NH1 2.73Å; Q567-R616 VanDerWaalsContact O-NH1 3.16Å
568G98.3Very high98.4Very high34 Ų3439.3 Ų39.335%0.35121%0.214SC..  trans77.4165.1-173.100000113.4A564 R616A564-G568 WeakPolarHBondContact O-CA 3.41Å; A564-G568 PolarHBondContact O-N 2.95Å; G568-R616 WeakPolarHBondContact O-CD 3.46Å; G568-R616 PolarHBondContact O-NH1 3.19Å
569T98.7Very high98.4Very high51 Ų5139 Ų3931%0.31321%0.214SC..  trans-64.6165.817962.50000112.4A564 Y573 Y613 L615 R616A564-T569 HydrophobicContact CB-CG2 4.38Å; T569-Y573 HydrophobicContact CG2-CD1 3.84Å; T569-Y573 HydrophobicContact CG2-CD2 4.37Å; T569-Y573 HydrophobicContact CG2-CE1 4.19Å; T569-Y573 HydrophobicContact CG2-CG 3.94Å; T569-Y613 WeakPolarHBondContact CG2-O 3.2Å; T569-L615 CarbonylContact C-O 3.59Å; T569-L615 WeakPolarHBondContact CA-O 3.12Å; T569-L615 WeakPolarHBondContact CB-O 3.35Å; T569-R616 PolarHBondContact O-NH1 2.84Å; T569-R616 VanDerWaalsContact O-NH1 3.13Å
570Y98.3Very high98.3Very high1 Ų145.4 Ų45.40%0.00424%0.24CC..  trans-62.8153.4163.461-86.1000110.4N432 S572 Y573 S576 L615 R616N432-Y570 PolarHBondContact ND2-OH 2.91Å; N432-Y570 VanDerWaalsContact ND2-OH 3.13Å; Y570-S572 VanDerWaalsContact C-N 3.32Å; Y570-S572 VanDerWaalsContact CD2-OG 3.3Å; Y570-S572 WeakPolarHBondContact CD2-OG 3.24Å; Y570-S572 WeakPolarHBondContact CE2-O 3.44Å; Y570-S572 PolarHBondContact O-N 3.14Å; Y570-Y573 HydrophobicContact CD1-CD2 4.36Å; Y570-Y573 AromaticContact CE1-CD2 3.65Å; Y570-Y573 HydrophobicContact CE1-CD2 3.65Å; Y570-Y573 HydrophobicContact CE1-CG 4.36Å; Y570-Y573 VanDerWaalsContact CE2-N 3.29Å; Y570-Y573 AromaticContact CZ-CD2 3.85Å; Y570-Y573 WeakPolarHBondContact O-CB 3.01Å; Y570-Y573 PolarHBondContact O-N 2.81Å; Y570-Y573 VanDerWaalsContact O-N 3.11Å; Y570-S576 PolarHBondContact OH-OG 2.89Å; Y570-L615 WeakPolarHBondContact CD1-O 3.32Å; Y570-L615 HydrophobicContact CE1-CB 4.25Å; Y570-L615 PolarHBondContact N-O 2.91Å; Y570-L615 VanDerWaalsContact N-O 3.1Å; Y570-R616 WeakPolarHBondContact CB-O 3.48Å
571E98.3Very high98.2Very high148 Ų14846.5 Ų46.569%0.69225%0.252SS*.THydrogen-bonded Turntrans-58.6-43-169.2-173.4-171.1132.400112.5R514 Y573R514-E571 HydrophobicContact CG-CB 4.21Å; R514-E571 HydrophobicContact CG-CG 4.41Å; R514-E571 IonicContact NE-OE1 2.77Å; R514-E571 PolarHBondContact O-N 3.34Å; E571-Y573 VanDerWaalsContact C-N 3.28Å; E571-Y573 PolarHBondContact O-N 2.98Å
572S98.1Very high98.2Very high12 Ų1249.9 Ų49.98%0.08427%0.269CS..THydrogen-bonded Turntrans-88.922.5-179.257.10000114.1H435 R514 H515 Y570 Q574H435-S572 PolarHBondContact NE2-O 2.66Å; R514-S572 PolarHBondContact O-N 2.98Å; R514-S572 VanDerWaalsContact O-N 3.13Å; R514-S572 PolarHBondContact O-OG 3.12Å; H515-S572 PolarHBondContact CE1-OG 2.83Å; H515-S572 PolarHBondContact ND1-OG 2.81Å; Y570-S572 VanDerWaalsContact C-N 3.32Å; Y570-S572 VanDerWaalsContact CD2-OG 3.3Å; Y570-S572 WeakPolarHBondContact CD2-OG 3.24Å; Y570-S572 WeakPolarHBondContact CE2-O 3.44Å; Y570-S572 PolarHBondContact O-N 3.14Å; S572-Q574 PolarHBondContact O-N 3.09Å
573Y98.6Very high98.2Very high24 Ų2446.1 Ų46.19%0.09425%0.252CS..  trans-60.8-45.1-178.1172.7-102.4000112.7T569 Y570 E571 G575 S576 V578 S579 G614 L615T569-Y573 HydrophobicContact CG2-CD1 3.84Å; T569-Y573 HydrophobicContact CG2-CD2 4.37Å; T569-Y573 HydrophobicContact CG2-CE1 4.19Å; T569-Y573 HydrophobicContact CG2-CG 3.94Å; Y570-Y573 HydrophobicContact CD1-CD2 4.36Å; Y570-Y573 AromaticContact CE1-CD2 3.65Å; Y570-Y573 HydrophobicContact CE1-CD2 3.65Å; Y570-Y573 HydrophobicContact CE1-CG 4.36Å; Y570-Y573 VanDerWaalsContact CE2-N 3.29Å; Y570-Y573 AromaticContact CZ-CD2 3.85Å; Y570-Y573 WeakPolarHBondContact O-CB 3.01Å; Y570-Y573 PolarHBondContact O-N 2.81Å; Y570-Y573 VanDerWaalsContact O-N 3.11Å; E571-Y573 VanDerWaalsContact C-N 3.28Å; E571-Y573 PolarHBondContact O-N 2.98Å; Y573-G575 PolarHBondContact O-N 3.24Å; Y573-S576 VanDerWaalsContact O-CB 3.28Å; Y573-S576 WeakPolarHBondContact O-CB 3.5Å; Y573-S576 PolarHBondContact O-N 2.84Å; Y573-S576 PolarHBondContact O-OG 3.1Å; Y573-V578 HydrophobicContact CD2-CG2 4.31Å; Y573-V578 HydrophobicContact CE2-CG2 3.95Å; Y573-S579 VanDerWaalsContact O-CB 3.28Å; Y573-S579 WeakPolarHBondContact O-CB 3.32Å; Y573-S579 PolarHBondContact O-OG 3Å; Y573-S579 WeakPolarHBondContact OH-CA 3.49Å; Y573-G614 VanDerWaalsContact CZ-CA 3.45Å; Y573-G614 VanDerWaalsContact OH-CA 3.31Å; Y573-G614 WeakPolarHBondContact OH-CA 3.49Å; Y573-L615 HydrophobicContact CE2-CB 4.31Å
574Q98.1Very high98.1Very high155 Ų15545.7 Ų45.772%0.72425%0.249SC*.THydrogen-bonded Turntrans-64.4130.5-175.1-17159.529.100111.8S572 S576S572-Q574 PolarHBondContact O-N 3.09Å; Q574-S576 VanDerWaalsContact C-N 3.34Å
575G97.7Very high98.1Very high21 Ų2145.4 Ų45.422%0.21625%0.247CC..THydrogen-bonded Turntrans95.4-19.4179.500000113.9H435 Y573 S579 K580H435-G575 WeakPolarHBondContact CB-O 3.2Å; Y573-G575 PolarHBondContact O-N 3.24Å; G575-S579 PolarHBondContact N-OG 3.36Å; G575-K580 WeakPolarHBondContact O-CE 3.36Å; G575-K580 PolarHBondContact O-NZ 2.79Å
576S98.4Very high98.1Very high0 Ų044.9 Ų44.90%024%0.242CC..SBendtrans-59.5153.4172.867.20000111.8H435 Y570 Y573 Q574 V578 S579 K580H435-S576 VanDerWaalsContact CE1-CB 3.49Å; H435-S576 WeakPolarHBondContact CE1-CB 2.81Å; H435-S576 WeakPolarHBondContact ND1-CA 3.41Å; Y570-S576 PolarHBondContact OH-OG 2.89Å; Y573-S576 VanDerWaalsContact O-CB 3.28Å; Y573-S576 WeakPolarHBondContact O-CB 3.5Å; Y573-S576 PolarHBondContact O-N 2.84Å; Y573-S576 PolarHBondContact O-OG 3.1Å; Q574-S576 VanDerWaalsContact C-N 3.34Å; S576-V578 VanDerWaalsContact C-N 3.29Å; S576-V578 PolarHBondContact O-N 3.18Å; S576-V578 VanDerWaalsContact OG-CG2 3.31Å; S576-V578 WeakPolarHBondContact OG-CG2 3.44Å; S576-S579 PolarHBondContact N-OG 3.48Å; S576-S579 PolarHBondContact O-N 2.97Å; S576-S579 VanDerWaalsContact O-N 3.09Å; S576-S579 PolarHBondContact O-OG 2.93Å; S576-S579 WeakPolarHBondContact OG-CB 3.3Å; S576-S579 PolarHBondContact OG-N 3.31Å; S576-S579 PolarHBondContact OG-OG 2.83Å; S576-K580 PolarHBondContact O-N 3.07Å
577P98.5Very high98.1Very high6 Ų641.4 Ų41.44%0.03922%0.223CC..THydrogen-bonded Turntrans-50.7-45.1172.3-29.836.2000113.9N432 Q434 S579 K580 G581 I582 M587N432-P577 WeakPolarHBondContact O-CD 3.45Å; N432-P577 WeakPolarHBondContact OD1-CD 3.44Å; Q434-P577 HydrophobicContact CB-CG 4.18Å; P577-S579 VanDerWaalsContact C-N 3.28Å; P577-S579 PolarHBondContact O-N 3.16Å; P577-K580 CarbonylContact O-C 3.41Å; P577-K580 WeakPolarHBondContact O-CA 3.32Å; P577-K580 WeakPolarHBondContact O-CB 3.07Å; P577-K580 PolarHBondContact O-N 3.42Å; P577-G581 PolarHBondContact O-N 3.47Å; P577-I582 CarbonylContact C-O 3.51Å; P577-I582 HydrophobicContact CB-CB 4.02Å; P577-I582 HydrophobicContact CB-CG2 4.3Å; P577-I582 WeakPolarHBondContact O-CB 3.46Å; P577-I582 PolarHBondContact O-N 3.49Å; P577-M587 HydrophobicContact CB-CE 3.19Å; P577-M587 HydrophobicContact CG-CE 3.56Å
578V98Very high98.1Very high4 Ų440 Ų402%0.02422%0.215CC..G310 helixtrans-63.3-33.4178.9-64.30000112.6N432 Y573 S576 K580 G581 I582 L583 L615N432-V578 VanDerWaalsContact ND2-CG2 3.32Å; N432-V578 WeakPolarHBondContact ND2-CG2 3.18Å; N432-V578 WeakPolarHBondContact OD1-CG1 3.41Å; N432-V578 VanDerWaalsContact OD1-CG2 3.3Å; N432-V578 WeakPolarHBondContact OD1-CG2 3.22Å; N432-V578 PolarHBondContact OD1-N 2.64Å; N432-V578 VanDerWaalsContact OD1-N 3.09Å; Y573-V578 HydrophobicContact CD2-CG2 4.31Å; Y573-V578 HydrophobicContact CE2-CG2 3.95Å; S576-V578 VanDerWaalsContact C-N 3.29Å; S576-V578 PolarHBondContact O-N 3.18Å; S576-V578 VanDerWaalsContact OG-CG2 3.31Å; S576-V578 WeakPolarHBondContact OG-CG2 3.44Å; V578-K580 PolarHBondContact O-N 3.21Å; V578-G581 PolarHBondContact O-N 3.47Å; V578-I582 VanDerWaalsContact CA-O 3.3Å; V578-I582 WeakPolarHBondContact CA-O 3.25Å; V578-I582 PolarHBondContact N-O 3.44Å; V578-L583 HydrophobicContact CG1-CD2 4.05Å; V578-L615 HydrophobicContact CB-CD1 4.05Å; V578-L615 HydrophobicContact CG1-CD1 4.19Å; V578-L615 HydrophobicContact CG2-CD1 3.98Å
579S98.2Very high98Very high18 Ų1841.9 Ų41.913%0.12623%0.233CC..G310 helixtrans-67.3-18.6173.475.30000114Y573 G575 S576 P577 G581Y573-S579 VanDerWaalsContact O-CB 3.28Å; Y573-S579 WeakPolarHBondContact O-CB 3.32Å; Y573-S579 PolarHBondContact O-OG 3Å; Y573-S579 WeakPolarHBondContact OH-CA 3.49Å; G575-S579 PolarHBondContact N-OG 3.36Å; S576-S579 PolarHBondContact N-OG 3.48Å; S576-S579 PolarHBondContact O-N 2.97Å; S576-S579 VanDerWaalsContact O-N 3.09Å; S576-S579 PolarHBondContact O-OG 2.93Å; S576-S579 WeakPolarHBondContact OG-CB 3.3Å; S576-S579 PolarHBondContact OG-N 3.31Å; S576-S579 PolarHBondContact OG-OG 2.83Å; P577-S579 VanDerWaalsContact C-N 3.28Å; P577-S579 PolarHBondContact O-N 3.16Å; S579-G581 VanDerWaalsContact C-N 3.34Å
580K97.8Very high97.9Very high140 Ų14041 Ų4161%0.60923%0.228SC*.G310 helixtrans-96.18.8173.5-59.6167.6-178.9164.30111.9G575 S576 P577 V578 I582G575-K580 WeakPolarHBondContact O-CE 3.36Å; G575-K580 PolarHBondContact O-NZ 2.79Å; S576-K580 PolarHBondContact O-N 3.07Å; P577-K580 CarbonylContact O-C 3.41Å; P577-K580 WeakPolarHBondContact O-CA 3.32Å; P577-K580 WeakPolarHBondContact O-CB 3.07Å; P577-K580 PolarHBondContact O-N 3.42Å; V578-K580 PolarHBondContact O-N 3.21Å; K580-I582 VanDerWaalsContact C-N 3.35Å; K580-I582 HydrophobicContact CB-CD1 4.41Å; K580-I582 HydrophobicContact CB-CG1 4.48Å
581G96.7Very high97.8Very high24 Ų2445 Ų4525%0.24725%0.249CC..THydrogen-bonded Turntrans73.322.2-177.500000114.1P577 V578 S579 R607P577-G581 PolarHBondContact O-N 3.47Å; V578-G581 PolarHBondContact O-N 3.47Å; S579-G581 VanDerWaalsContact C-N 3.34Å; G581-R607 PolarHBondContact O-NH1 3.31Å
582I98.1Very high97.6Very high71 Ų7138.4 Ų38.436%0.36422%0.219SC..  trans-103.2111.8175.5-55.4170.2000108.6P577 V578 K580 D586 M587P577-I582 CarbonylContact C-O 3.51Å; P577-I582 HydrophobicContact CB-CB 4.02Å; P577-I582 HydrophobicContact CB-CG2 4.3Å; P577-I582 WeakPolarHBondContact O-CB 3.46Å; P577-I582 PolarHBondContact O-N 3.49Å; V578-I582 VanDerWaalsContact CA-O 3.3Å; V578-I582 WeakPolarHBondContact CA-O 3.25Å; V578-I582 PolarHBondContact N-O 3.44Å; K580-I582 VanDerWaalsContact C-N 3.35Å; K580-I582 HydrophobicContact CB-CD1 4.41Å; K580-I582 HydrophobicContact CB-CG1 4.48Å; I582-D586 HydrophobicContact CG2-CB 3.99Å; I582-M587 HydrophobicContact CG2-CE 4.09Å; I582-M587 HydrophobicContact CG2-CG 4.03Å
583L97.9Very high97.4Very high1 Ų142 Ų421%0.00524%0.235CC..  trans-95.3169.8177.1-58.2-178.4000110.9L557 V578 D586 M587 W603 I610L557-L583 HydrophobicContact CD1-CD1 4.28Å; L557-L583 HydrophobicContact CD1-CD2 4.31Å; L557-L583 HydrophobicContact CD2-CD2 4.46Å; V578-L583 HydrophobicContact CG1-CD2 4.05Å; L583-D586 PolarHBondContact N-OD2 3.18Å; L583-D586 WeakPolarHBondContact O-CB 3.32Å; L583-D586 PolarHBondContact O-N 2.56Å; L583-D586 VanDerWaalsContact O-N 3.09Å; L583-M587 PolarHBondContact O-N 2.89Å; L583-W603 HydrophobicContact CD1-CE3 3.99Å; L583-W603 HydrophobicContact CD1-CZ3 4Å; L583-I610 HydrophobicContact CD2-CD1 3.99Å
584Q98Very high97.2Very high2 Ų246.7 Ų46.71%0.00926%0.257CS..THydrogen-bonded Turntrans-56.5-44.7-177.1-171.664.36.100114.3K430 Y553 D586 M587 W588 P722 I724 D725K430-Q584 PolarHBondContact O-NE2 2.89Å; K430-Q584 PolarHBondContact O-OE1 3.41Å; K430-Q584 VanDerWaalsContact O-OE1 3.12Å; Y553-Q584 HydrophobicContact CD1-CB 4.46Å; Y553-Q584 HydrophobicContact CE1-CB 3.6Å; Y553-Q584 HydrophobicContact CE2-CB 4.28Å; Y553-Q584 VanDerWaalsContact CZ-CB 3.48Å; Y553-Q584 VanDerWaalsContact OH-CB 3.32Å; Y553-Q584 WeakPolarHBondContact OH-CB 3.17Å; Y553-Q584 PolarHBondContact OH-N 3.02Å; Q584-D586 PolarHBondContact O-N 3.01Å; Q584-M587 WeakPolarHBondContact O-CB 3.33Å; Q584-M587 PolarHBondContact O-N 3.37Å; Q584-M587 VanDerWaalsContact O-N 3.13Å; Q584-M587 PolarHBondContact OE1-SD 3.38Å; Q584-W588 VanDerWaalsContact O-CD1 3.31Å; Q584-P722 CarbonylContact C-O 3.6Å; Q584-P722 VanDerWaalsContact CG-O 3.22Å; Q584-P722 WeakPolarHBondContact CG-O 3Å; Q584-I724 PolarHBondContact NE2-O 2.89Å; Q584-D725 HydrophobicContact CB-CB 4.35Å; Q584-D725 HydrophobicContact CG-CB 4.24Å
585P98.3Very high97Very high0 Ų039.6 Ų39.60%023%0.225CC..THydrogen-bonded Turntrans-58.5-33.1177.5-26.234.8000113.5Y553 M587 W588 G589 V590 T592 W603 P722 F723Y553-P585 HydrophobicContact CE1-CG 4.45Å; P585-M587 VanDerWaalsContact C-N 3.32Å; P585-M587 PolarHBondContact O-N 3.3Å; P585-W588 CarbonylContact O-C 3.53Å; P585-W588 WeakPolarHBondContact O-CA 3.41Å; P585-W588 WeakPolarHBondContact O-CB 3.3Å; P585-W588 PolarHBondContact O-N 2.98Å; P585-G589 PolarHBondContact O-N 2.82Å; P585-V590 HydrophobicContact CB-CB 4Å; P585-V590 HydrophobicContact CB-CG1 4.33Å; P585-V590 PolarHBondContact O-N 3.14Å; P585-T592 HydrophobicContact CB-CG2 3.98Å; P585-T592 HydrophobicContact CG-CG2 4.37Å; P585-W603 HydrophobicContact CG-CH2 4.45Å; P585-P722 WeakPolarHBondContact CA-O 3.46Å; P585-P722 VanDerWaalsContact CD-O 3.3Å; P585-P722 WeakPolarHBondContact CD-O 3.45Å; P585-P722 WeakPolarHBondContact CG-O 3.44Å; P585-P722 VanDerWaalsContact N-O 3.1Å; P585-F723 HydrophobicContact CB-CE1 4.5Å; P585-F723 HydrophobicContact CG-CD1 3.91Å; P585-F723 HydrophobicContact CG-CE1 3.87Å
586D98Very high97Very high51 Ų5139.6 Ų39.627%0.27322%0.221SC..G310 helixtrans-65.3-37.7-180-50.5-39.6000110.9I582 L583 Q584 W588 G589 R607I582-D586 HydrophobicContact CG2-CB 3.99Å; L583-D586 PolarHBondContact N-OD2 3.18Å; L583-D586 WeakPolarHBondContact O-CB 3.32Å; L583-D586 PolarHBondContact O-N 2.56Å; L583-D586 VanDerWaalsContact O-N 3.09Å; Q584-D586 PolarHBondContact O-N 3.01Å; D586-W588 PolarHBondContact O-N 3.42Å; D586-W588 VanDerWaalsContact O-N 3.13Å; D586-G589 PolarHBondContact O-N 2.93Å; D586-R607 IonicContact OD1-CZ 2.87Å; D586-R607 IonicContact OD1-NH1 3.4Å; D586-R607 IonicContact OD1-NH2 2.78Å; D586-R607 PolarHBondContact OD1-NH2 2.93Å; D586-R607 IonicContact OD2-CZ 3.6Å; D586-R607 IonicContact OD2-NH1 3Å; D586-R607 PolarHBondContact OD2-NH1 3.37Å; D586-R607 IonicContact OD2-NH2 2.79Å; D586-R607 PolarHBondContact OD2-NH2 3.31Å; D586-R607 VanDerWaalsContact OD2-NH2 3.14Å
587M97.9Very high96.8Very high31 Ų3147.8 Ų47.815%0.15326%0.257CS..G310 helixtrans-67.8-9.9175.7-56.8-179.5-173.300113.4K430 P577 I582 L583 Q584 P585K430-M587 VanDerWaalsContact CA-SD 3.57Å; K430-M587 HydrophobicContact CB-CB 4.33Å; K430-M587 HydrophobicContact CG-CB 4.3Å; P577-M587 HydrophobicContact CB-CE 3.19Å; P577-M587 HydrophobicContact CG-CE 3.56Å; I582-M587 HydrophobicContact CG2-CE 4.09Å; I582-M587 HydrophobicContact CG2-CG 4.03Å; L583-M587 PolarHBondContact O-N 2.89Å; Q584-M587 WeakPolarHBondContact O-CB 3.33Å; Q584-M587 PolarHBondContact O-N 3.37Å; Q584-M587 VanDerWaalsContact O-N 3.13Å; Q584-M587 PolarHBondContact OE1-SD 3.38Å; P585-M587 VanDerWaalsContact C-N 3.32Å; P585-M587 PolarHBondContact O-N 3.3Å
588W97.7Very high96.6Very high47 Ų4751.9 Ų51.918%0.17828%0.281CS..G310 helixtrans-108.33175-73.178.3000112.9K430 Q584 P585 D586 V590 A721 P722 K752 G753 L754K430-W588 HydrophobicContact CD-CD2 4.16Å; K430-W588 HydrophobicContact CD-CH2 4.32Å; K430-W588 HydrophobicContact CD-CZ2 3.64Å; K430-W588 VanDerWaalsContact NZ-CH2 3.32Å; K430-W588 VanDerWaalsContact NZ-CZ3 3.27Å; Q584-W588 VanDerWaalsContact O-CD1 3.31Å; P585-W588 CarbonylContact O-C 3.53Å; P585-W588 WeakPolarHBondContact O-CA 3.41Å; P585-W588 WeakPolarHBondContact O-CB 3.3Å; P585-W588 PolarHBondContact O-N 2.98Å; D586-W588 PolarHBondContact O-N 3.42Å; D586-W588 VanDerWaalsContact O-N 3.13Å; W588-V590 VanDerWaalsContact C-N 3.26Å; W588-V590 HydrophobicContact CB-CG2 4.1Å; W588-V590 PolarHBondContact O-N 3.42Å; W588-A721 HydrophobicContact CD2-CB 4.46Å; W588-A721 HydrophobicContact CE3-CB 4.4Å; W588-A721 HydrophobicContact CH2-CB 3.26Å; W588-A721 HydrophobicContact CZ2-CB 3.33Å; W588-A721 HydrophobicContact CZ3-CB 3.83Å; W588-A721 PolarHBondContact NE1-O 3.23Å; W588-P722 HydrophobicContact CB-CB 4.02Å; W588-P722 HydrophobicContact CB-CG 3.97Å; W588-P722 HydrophobicContact CD2-CG 4.14Å; W588-P722 HydrophobicContact CE3-CG 4.33Å; W588-P722 HydrophobicContact CG-CB 4.07Å; W588-P722 HydrophobicContact CG-CG 4.01Å; W588-K752 WeakPolarHBondContact CZ3-O 3.48Å; W588-G753 WeakPolarHBondContact CH2-O 3.31Å; W588-L754 HydrophobicContact CH2-CD2 4.33Å
589G97Very high96.4Very high72 Ų7252.9 Ų52.974%0.74229%0.288SS*.THydrogen-bonded Turntrans67.924.4-176.800000113.7P585 D586P585-G589 PolarHBondContact O-N 2.82Å; D586-G589 PolarHBondContact O-N 2.93Å
590V96.9Very high96.3Very high33 Ų3355.2 Ų55.220%0.232%0.316CS..  trans-87.9128.21781770000109.9P585 W588 T592 L595 P722P585-V590 HydrophobicContact CB-CB 4Å; P585-V590 HydrophobicContact CB-CG1 4.33Å; P585-V590 PolarHBondContact O-N 3.14Å; W588-V590 VanDerWaalsContact C-N 3.26Å; W588-V590 HydrophobicContact CB-CG2 4.1Å; W588-V590 PolarHBondContact O-N 3.42Å; V590-T592 PolarHBondContact O-N 3.43Å; V590-L595 HydrophobicContact CG1-CD1 3.7Å; V590-L595 HydrophobicContact CG1-CD2 4.15Å; V590-L595 HydrophobicContact CG1-CG 3.87Å; V590-P722 HydrophobicContact CG2-CB 3.82Å; V590-P722 HydrophobicContact CG2-CG 3.77Å
591D95.1Very high96.3Very high84 Ų8449.1 Ų49.145%0.44929%0.29SS..  trans-75.4110.8175.9-175.5-10.4000111E593 E594 L595D591-E593 VanDerWaalsContact C-N 3.29Å; D591-E593 PolarHBondContact O-N 3.12Å; D591-E593 WeakPolarHBondContact OD1-CA 3.44Å; D591-E593 VanDerWaalsContact OD1-CB 3.32Å; D591-E593 WeakPolarHBondContact OD1-CB 3.39Å; D591-E593 PolarHBondContact OD1-N 3.23Å; D591-E594 HydrophobicContact CB-CB 4.02Å; D591-E594 PolarHBondContact O-N 3.37Å; D591-E594 PolarHBondContact OD1-N 3.13Å; D591-L595 PolarHBondContact O-N 2.95Å; D591-L595 VanDerWaalsContact O-N 3.09Å
592T94.7Very high96.3Very high10 Ų1052.2 Ų52.26%0.06130%0.301CS..Hα-helixtrans-70.2-22.1179.156.70000113.8P585 V590 L595 S596 W603 R607P585-T592 HydrophobicContact CB-CG2 3.98Å; P585-T592 HydrophobicContact CG-CG2 4.37Å; V590-T592 PolarHBondContact O-N 3.43Å; T592-L595 HydrophobicContact CG2-CD1 4.46Å; T592-S596 PolarHBondContact O-N 3.49Å; T592-S596 PolarHBondContact O-OG 3.33Å; T592-W603 HydrophobicContact CG2-CD2 4.27Å; T592-W603 HydrophobicContact CG2-CE3 4.38Å; T592-W603 HydrophobicContact CG2-CG 4.36Å; T592-R607 PolarHBondContact OG1-NH2 3.22Å
593E94.1Very high96.3Very high88 Ų8848.9 Ų48.941%0.41128%0.283SS..Hα-helixtrans-73.5-37.1174.1-63.4-58.2138.600110.9D591 S596 K597D591-E593 VanDerWaalsContact C-N 3.29Å; D591-E593 PolarHBondContact O-N 3.12Å; D591-E593 WeakPolarHBondContact OD1-CA 3.44Å; D591-E593 VanDerWaalsContact OD1-CB 3.32Å; D591-E593 WeakPolarHBondContact OD1-CB 3.39Å; D591-E593 PolarHBondContact OD1-N 3.23Å; E593-S596 PolarHBondContact O-N 3.07Å; E593-K597 WeakPolarHBondContact O-CG 3.38Å; E593-K597 PolarHBondContact O-N 3.1Å
594E94.3Very high96.3Very high122 Ų12251.6 Ų51.657%0.5730%0.302SS*.Hα-helixtrans-64.1-44.4170.3-169.2-176179.400111.1D591 S596 K597 V598D591-E594 HydrophobicContact CB-CB 4.02Å; D591-E594 PolarHBondContact O-N 3.37Å; D591-E594 PolarHBondContact OD1-N 3.13Å; E594-S596 VanDerWaalsContact C-N 3.32Å; E594-S596 PolarHBondContact O-N 3.42Å; E594-K597 WeakPolarHBondContact O-CB 3.39Å; E594-K597 PolarHBondContact O-N 3.16Å; E594-V598 PolarHBondContact O-N 3.33Å
595L94.4Very high96.3Very high7 Ų752.5 Ų52.54%0.03731%0.312CS..Hα-helixtrans-55.8-47.6174.3-71-178.9000111.8V590 D591 T592 K597 V598 S599 F723V590-L595 HydrophobicContact CG1-CD1 3.7Å; V590-L595 HydrophobicContact CG1-CD2 4.15Å; V590-L595 HydrophobicContact CG1-CG 3.87Å; D591-L595 PolarHBondContact O-N 2.95Å; D591-L595 VanDerWaalsContact O-N 3.09Å; T592-L595 HydrophobicContact CG2-CD1 4.46Å; L595-K597 PolarHBondContact O-N 3.24Å; L595-V598 PolarHBondContact O-N 3.4Å; L595-S599 PolarHBondContact O-N 3.12Å; L595-S599 PolarHBondContact O-OG 3.27Å; L595-F723 HydrophobicContact CD1-CE1 3.57Å; L595-F723 HydrophobicContact CD1-CZ 3.76Å; L595-F723 HydrophobicContact CD2-CZ 4.04Å
596S96.9Very high96.3Very high21 Ų2152.8 Ų52.815%0.14731%0.314CS..Hα-helixtrans-57.3-36-179.9-56.90000112.5T592 E593 E594 V598 G600 L601 W603T592-S596 PolarHBondContact O-N 3.49Å; T592-S596 PolarHBondContact O-OG 3.33Å; E593-S596 PolarHBondContact O-N 3.07Å; E594-S596 VanDerWaalsContact C-N 3.32Å; E594-S596 PolarHBondContact O-N 3.42Å; S596-V598 VanDerWaalsContact C-N 3.33Å; S596-V598 PolarHBondContact O-N 3.31Å; S596-G600 VanDerWaalsContact O-CA 3.23Å; S596-G600 WeakPolarHBondContact O-CA 3.31Å; S596-G600 PolarHBondContact O-N 3.07Å; S596-L601 WeakPolarHBondContact CA-O 3.47Å; S596-L601 WeakPolarHBondContact CB-O 3.48Å; S596-L601 PolarHBondContact OG-O 2.59Å; S596-W603 WeakPolarHBondContact OG-CB 3.5Å; S596-W603 PolarHBondContact OG-N 2.81Å
597K95.1Very high96.3Very high171 Ų17153 Ų5374%0.74331%0.311SS*.Hα-helixtrans-67.9-31.9176.7-67.3166.7-170.11660112.8E593 E594 L595E593-K597 WeakPolarHBondContact O-CG 3.38Å; E593-K597 PolarHBondContact O-N 3.1Å; E594-K597 WeakPolarHBondContact O-CB 3.39Å; E594-K597 PolarHBondContact O-N 3.16Å; L595-K597 PolarHBondContact O-N 3.24Å
598V93.3Very high96.3Very high92 Ų9254.4 Ų54.456%0.55833%0.328SS*.Hα-helixtrans-86.7-46.8-178.3178.80000111.2E594 L595 S596E594-V598 PolarHBondContact O-N 3.33Å; L595-V598 PolarHBondContact O-N 3.4Å; S596-V598 VanDerWaalsContact C-N 3.33Å; S596-V598 PolarHBondContact O-N 3.31Å
599S94.6Very high96.4Very high25 Ų2556 Ų5618%0.17533%0.334CS..Hα-helixtrans-88.9-21.9-173.966.10000113.7E550 L595 L601E550-S599 WeakPolarHBondContact OE1-CB 3.18Å; E550-S599 PolarHBondContact OE1-OG 3.35Å; L595-S599 PolarHBondContact O-N 3.12Å; L595-S599 PolarHBondContact O-OG 3.27Å; S599-L601 PolarHBondContact O-N 3.09Å; S599-L601 WeakPolarHBondContact OG-CB 3.18Å; S599-L601 WeakPolarHBondContact OG-CG 3.31Å; S599-L601 PolarHBondContact OG-N 3.13Å
600G95Very high96.4Very high68 Ų6852.7 Ų52.770%0.70130%0.299SS*.  trans73.16.5-170.900000113.7S596S596-G600 VanDerWaalsContact O-CA 3.23Å; S596-G600 WeakPolarHBondContact O-CA 3.31Å; S596-G600 PolarHBondContact O-N 3.07Å
601L97.7Very high96.5Very high12 Ų1256.9 Ų56.96%0.06332%0.32CS..  trans-81.5127.3176.6-60.2173000109.8E550 F554 S596 S599 W603E550-L601 HydrophobicContact CG-CD1 4.13Å; F554-L601 HydrophobicContact CB-CD1 3.96Å; F554-L601 HydrophobicContact CD1-CB 4.43Å; F554-L601 HydrophobicContact CD1-CD1 4.44Å; F554-L601 HydrophobicContact CD1-CD2 3.95Å; F554-L601 HydrophobicContact CD2-CB 3.9Å; F554-L601 HydrophobicContact CD2-CD1 4.44Å; F554-L601 HydrophobicContact CE1-CB 4.48Å; F554-L601 HydrophobicContact CE1-CD2 4.17Å; F554-L601 HydrophobicContact CE2-CB 3.95Å; F554-L601 HydrophobicContact CG-CB 4.15Å; F554-L601 HydrophobicContact CG-CD1 4.03Å; F554-L601 HydrophobicContact CG-CD2 4.33Å; F554-L601 HydrophobicContact CG-CG 4.41Å; F554-L601 HydrophobicContact CZ-CB 4.25Å; S596-L601 WeakPolarHBondContact CA-O 3.47Å; S596-L601 WeakPolarHBondContact CB-O 3.48Å; S596-L601 PolarHBondContact OG-O 2.59Å; S599-L601 PolarHBondContact O-N 3.09Å; S599-L601 WeakPolarHBondContact OG-CB 3.18Å; S599-L601 WeakPolarHBondContact OG-CG 3.31Å; S599-L601 PolarHBondContact OG-N 3.13Å; L601-W603 PolarHBondContact O-N 2.91Å
602D97.9Very high96.6Very high89 Ų8959.9 Ų59.948%0.47633%0.329SS..  trans-80.779.4-178.1179.917.1000112F554 S604 G605 L606F554-D602 WeakPolarHBondContact CE2-O 3.39Å; D602-S604 VanDerWaalsContact C-N 3.25Å; D602-S604 PolarHBondContact O-N 2.83Å; D602-S604 PolarHBondContact OD1-N 3.01Å; D602-S604 PolarHBondContact OD1-OG 2.85Å; D602-G605 PolarHBondContact O-N 3.22Å; D602-G605 PolarHBondContact OD1-N 3.14Å; D602-G605 WeakPolarHBondContact OD2-CA 3.13Å; D602-G605 PolarHBondContact OD2-N 3.1Å; D602-L606 WeakPolarHBondContact O-CB 3.45Å; D602-L606 PolarHBondContact O-N 3.06Å
603W98.2Very high96.8Very high0 Ų063.7 Ų63.70%034%0.343CS..Hα-helixtrans-61.2-35.2177.1-76.597.9000112.4E550 Y553 F554 L557 L583 P585 T592 S596 L601 L606 R607 F723E550-W603 HydrophobicContact CG-CZ2 3.84Å; E550-W603 PolarHBondContact OE1-NE1 3Å; E550-W603 VanDerWaalsContact OE1-NE1 3.13Å; Y553-W603 AromaticContact CD1-CH2 3.71Å; Y553-W603 HydrophobicContact CD1-CH2 3.71Å; Y553-W603 HydrophobicContact CD1-CZ3 4.26Å; Y553-W603 HydrophobicContact CE1-CH2 4.32Å; Y553-W603 HydrophobicContact CE1-CZ3 4.43Å; F554-W603 HydrophobicContact CB-CH2 3.95Å; F554-W603 HydrophobicContact CB-CZ2 3.89Å; F554-W603 AromaticContact CD2-CD2 3.88Å; F554-W603 HydrophobicContact CD2-CD2 3.88Å; F554-W603 AromaticContact CD2-CE2 3.83Å; F554-W603 HydrophobicContact CD2-CE3 4.1Å; F554-W603 HydrophobicContact CD2-CG 4.36Å; F554-W603 HydrophobicContact CD2-CH2 4.14Å; F554-W603 AromaticContact CD2-CZ2 3.98Å; F554-W603 HydrophobicContact CD2-CZ2 3.98Å; F554-W603 HydrophobicContact CD2-CZ3 4.23Å; F554-W603 HydrophobicContact CE2-CD2 4.41Å; F554-W603 HydrophobicContact CG-CZ2 4.45Å; L557-W603 HydrophobicContact CD1-CH2 4.44Å; L557-W603 HydrophobicContact CD1-CZ3 3.92Å; L583-W603 HydrophobicContact CD1-CE3 3.99Å; L583-W603 HydrophobicContact CD1-CZ3 4Å; P585-W603 HydrophobicContact CG-CH2 4.45Å; T592-W603 HydrophobicContact CG2-CD2 4.27Å; T592-W603 HydrophobicContact CG2-CE3 4.38Å; T592-W603 HydrophobicContact CG2-CG 4.36Å; S596-W603 WeakPolarHBondContact OG-CB 3.5Å; S596-W603 PolarHBondContact OG-N 2.81Å; L601-W603 PolarHBondContact O-N 2.91Å; W603-L606 HydrophobicContact CE3-CD2 4.46Å; W603-L606 HydrophobicContact CZ3-CD2 4.37Å; W603-L606 PolarHBondContact O-N 3.09Å; W603-R607 VanDerWaalsContact O-CB 3.3Å; W603-R607 WeakPolarHBondContact O-CB 3.27Å; W603-R607 PolarHBondContact O-N 3.03Å; W603-F723 HydrophobicContact CZ2-CE1 4.46Å
604S97.3Very high97Very high58 Ų5859.6 Ų59.641%0.40632%0.324SS..Hα-helixtrans-64.6-47179.880.50000111.6D602 R607 A608D602-S604 VanDerWaalsContact C-N 3.25Å; D602-S604 PolarHBondContact O-N 2.83Å; D602-S604 PolarHBondContact OD1-N 3.01Å; D602-S604 PolarHBondContact OD1-OG 2.85Å; S604-R607 PolarHBondContact O-N 3.21Å; S604-A608 PolarHBondContact O-N 3.09Å
605G98Very high97.3Very high21 Ų2153.9 Ų53.922%0.21630%0.298CS..Hα-helixtrans-68.1-39.5176.800000112.5D602 A608 R609D602-G605 PolarHBondContact O-N 3.22Å; D602-G605 PolarHBondContact OD1-N 3.14Å; D602-G605 WeakPolarHBondContact OD2-CA 3.13Å; D602-G605 PolarHBondContact OD2-N 3.1Å; G605-A608 PolarHBondContact O-N 2.99Å; G605-R609 WeakPolarHBondContact O-CG 3.46Å; G605-R609 PolarHBondContact O-N 2.84Å
606L98.3Very high97.5Very high6 Ų655.4 Ų55.43%0.03130%0.303CS..Hα-helixtrans-61.3-45.4173.3178.559.1000111.2F554 L557 D558 D602 W603 A608 R609 I610F554-L606 HydrophobicContact CD2-CD2 3.48Å; F554-L606 VanDerWaalsContact CD2-CD2 3.48Å; F554-L606 HydrophobicContact CE2-CB 3.77Å; F554-L606 HydrophobicContact CE2-CD2 3.53Å; F554-L606 HydrophobicContact CE2-CG 4.29Å; F554-L606 HydrophobicContact CG-CD2 4.01Å; F554-L606 HydrophobicContact CZ-CB 4.1Å; F554-L606 HydrophobicContact CZ-CD2 4.08Å; L557-L606 HydrophobicContact CB-CD1 4.49Å; L557-L606 HydrophobicContact CB-CD2 3.86Å; L557-L606 HydrophobicContact CD1-CD2 4.2Å; D558-L606 HydrophobicContact CB-CD1 4.03Å; D602-L606 WeakPolarHBondContact O-CB 3.45Å; D602-L606 PolarHBondContact O-N 3.06Å; W603-L606 HydrophobicContact CE3-CD2 4.46Å; W603-L606 HydrophobicContact CZ3-CD2 4.37Å; W603-L606 PolarHBondContact O-N 3.09Å; L606-A608 VanDerWaalsContact C-N 3.32Å; L606-A608 PolarHBondContact O-N 3.28Å; L606-R609 PolarHBondContact O-N 2.81Å; L606-R609 VanDerWaalsContact O-N 3.15Å; L606-I610 HydrophobicContact CD1-CD1 4.07Å; L606-I610 HydrophobicContact CD1-CG1 4.23Å; L606-I610 HydrophobicContact CG-CD1 3.93Å; L606-I610 HydrophobicContact CG-CG1 4.49Å; L606-I610 WeakPolarHBondContact O-CG1 3.28Å; L606-I610 PolarHBondContact O-N 3.13Å
607R97.8Very high97.6Very high55 Ų5554.4 Ų54.421%0.20830%0.296CS..Hα-helixtrans-60.8-41176.9-166.6-178.1-60-90.37.7111.6G581 D586 T592 W603 S604 R609 I610 N611G581-R607 PolarHBondContact O-NH1 3.31Å; D586-R607 IonicContact OD1-CZ 2.87Å; D586-R607 IonicContact OD1-NH1 3.4Å; D586-R607 IonicContact OD1-NH2 2.78Å; D586-R607 PolarHBondContact OD1-NH2 2.93Å; D586-R607 IonicContact OD2-CZ 3.6Å; D586-R607 IonicContact OD2-NH1 3Å; D586-R607 PolarHBondContact OD2-NH1 3.37Å; D586-R607 IonicContact OD2-NH2 2.79Å; D586-R607 PolarHBondContact OD2-NH2 3.31Å; D586-R607 VanDerWaalsContact OD2-NH2 3.14Å; T592-R607 PolarHBondContact OG1-NH2 3.22Å; W603-R607 VanDerWaalsContact O-CB 3.3Å; W603-R607 WeakPolarHBondContact O-CB 3.27Å; W603-R607 PolarHBondContact O-N 3.03Å; S604-R607 PolarHBondContact O-N 3.21Å; R607-R609 VanDerWaalsContact C-N 3.34Å; R607-R609 PolarHBondContact O-N 2.92Å; R607-I610 PolarHBondContact O-N 3.32Å; R607-N611 WeakPolarHBondContact O-CB 3.38Å; R607-N611 PolarHBondContact O-N 2.85Å
608A98.3Very high97.7Very high62 Ų6246.4 Ų46.451%0.51226%0.262SS..Hα-helixtrans-62.1-40.2175.100000112.4S604 G605 L606 K612S604-A608 PolarHBondContact O-N 3.09Å; G605-A608 PolarHBondContact O-N 2.99Å; L606-A608 VanDerWaalsContact C-N 3.32Å; L606-A608 PolarHBondContact O-N 3.28Å; A608-K612 WeakPolarHBondContact O-CB 3.41Å; A608-K612 PolarHBondContact O-N 3.46Å; A608-K612 VanDerWaalsContact O-N 3.16Å
609R98.5Very high98Very high80 Ų8042 Ų4230%0.30224%0.235SC..Hα-helixtrans-66.6-44.7174.7-72.8-17564.1-157.1-5.6112.3D558 G605 L606 R607 N611 K612 Y613D558-R609 IonicContact OD1-CZ 3.78Å; D558-R609 IonicContact OD1-NH1 2.82Å; D558-R609 PolarHBondContact OD1-NH1 3.41Å; D558-R609 IonicContact OD1-NH2 3.71Å; G605-R609 WeakPolarHBondContact O-CG 3.46Å; G605-R609 PolarHBondContact O-N 2.84Å; L606-R609 PolarHBondContact O-N 2.81Å; L606-R609 VanDerWaalsContact O-N 3.15Å; R607-R609 VanDerWaalsContact C-N 3.34Å; R607-R609 PolarHBondContact O-N 2.92Å; R609-N611 VanDerWaalsContact C-N 3.32Å; R609-N611 PolarHBondContact O-N 2.75Å; R609-K612 PolarHBondContact O-N 3.04Å; R609-K612 VanDerWaalsContact O-N 3.09Å; R609-Y613 HydrophobicContact CB-CD2 4.41Å; R609-Y613 VanDerWaalsContact O-CD2 3.31Å; R609-Y613 WeakPolarHBondContact O-CD2 3.45Å; R609-Y613 PolarHBondContact O-N 2.85Å
610I98.6Very high98.2Very high2 Ų241 Ų411%0.0123%0.227CC..Hα-helixtrans-61.1-43176.8-67.6170.5000110.5L557 C561 L583 L606 R607 K612 Y613 G614 L615L557-I610 HydrophobicContact CB-CD1 4.33Å; L557-I610 HydrophobicContact CD1-CD1 4.49Å; L557-I610 HydrophobicContact CD2-CD1 4.06Å; C561-I610 HydrophobicContact CB-CG1 4.23Å; L583-I610 HydrophobicContact CD2-CD1 3.99Å; L606-I610 HydrophobicContact CD1-CD1 4.07Å; L606-I610 HydrophobicContact CD1-CG1 4.23Å; L606-I610 HydrophobicContact CG-CD1 3.93Å; L606-I610 HydrophobicContact CG-CG1 4.49Å; L606-I610 WeakPolarHBondContact O-CG1 3.28Å; L606-I610 PolarHBondContact O-N 3.13Å; R607-I610 PolarHBondContact O-N 3.32Å; I610-K612 PolarHBondContact O-N 3.1Å; I610-Y613 PolarHBondContact O-N 3.32Å; I610-G614 WeakPolarHBondContact O-CA 3.34Å; I610-G614 PolarHBondContact O-N 2.91Å; I610-L615 HydrophobicContact CD1-CD2 4.06Å; I610-L615 HydrophobicContact CG1-CD2 3.83Å; I610-L615 HydrophobicContact CG1-CG 4.41Å; I610-L615 HydrophobicContact CG2-CD1 4.44Å; I610-L615 HydrophobicContact CG2-CD2 4.42Å; I610-L615 HydrophobicContact CG2-CG 4.08Å
611N98.2Very high98.4Very high122 Ų12237.7 Ų37.765%0.65219%0.194SC*.Hα-helixtrans-61.2-33176.3-171.446.8000112.5R607 R609R607-N611 WeakPolarHBondContact O-CB 3.38Å; R607-N611 PolarHBondContact O-N 2.85Å; R609-N611 VanDerWaalsContact C-N 3.32Å; R609-N611 PolarHBondContact O-N 2.75Å
612K98.4Very high98.4Very high146 Ų14637.1 Ų37.164%0.63519%0.191SC*.Hα-helixtrans-80.6-39.6-179.5-175.1174.7177.4-1690113.8A608 R609 I610A608-K612 WeakPolarHBondContact O-CB 3.41Å; A608-K612 PolarHBondContact O-N 3.46Å; A608-K612 VanDerWaalsContact O-N 3.16Å; R609-K612 PolarHBondContact O-N 3.04Å; R609-K612 VanDerWaalsContact O-N 3.09Å; I610-K612 PolarHBondContact O-N 3.1Å
613Y98.5Very high98.4Very high91 Ų9132.9 Ų32.936%0.35717%0.168SC..Hα-helixtrans-118.8-18.3-167.9-58.7-68.3000114.2A564 V565 T569 R609 I610A564-Y613 WeakPolarHBondContact CB-O 3.45Å; V565-Y613 HydrophobicContact CG2-CD1 3.71Å; V565-Y613 HydrophobicContact CG2-CD2 3.88Å; V565-Y613 HydrophobicContact CG2-CE1 4.17Å; V565-Y613 HydrophobicContact CG2-CE2 4.35Å; V565-Y613 HydrophobicContact CG2-CG 3.53Å; T569-Y613 WeakPolarHBondContact CG2-O 3.2Å; R609-Y613 HydrophobicContact CB-CD2 4.41Å; R609-Y613 VanDerWaalsContact O-CD2 3.31Å; R609-Y613 WeakPolarHBondContact O-CD2 3.45Å; R609-Y613 PolarHBondContact O-N 2.85Å; I610-Y613 PolarHBondContact O-N 3.32Å
614G98.7Very high98.4Very high1 Ų133.4 Ų33.41%0.0117%0.171CC..  trans72.1-160.4-173.100000114.1C561 Y573 I610C561-G614 WeakPolarHBondContact CA-O 3.31Å; C561-G614 PolarHBondContact SG-O 3.38Å; C561-G614 VanDerWaalsContact SG-O 3.4Å; Y573-G614 VanDerWaalsContact CZ-CA 3.45Å; Y573-G614 VanDerWaalsContact OH-CA 3.31Å; Y573-G614 WeakPolarHBondContact OH-CA 3.49Å; I610-G614 WeakPolarHBondContact O-CA 3.34Å; I610-G614 PolarHBondContact O-N 2.91Å
615L98.8Very high98.3Very high2 Ų232.4 Ų32.41%0.0116%0.163CC..  trans-129.8146.6-176.1-67.3179.2000111.2L557 C561 T569 Y570 Y573 V578 I610L557-L615 HydrophobicContact CD2-CD1 3.58Å; L557-L615 HydrophobicContact CD2-CD2 4.12Å; C561-L615 HydrophobicContact CB-CD2 3.89Å; T569-L615 CarbonylContact C-O 3.59Å; T569-L615 WeakPolarHBondContact CA-O 3.12Å; T569-L615 WeakPolarHBondContact CB-O 3.35Å; Y570-L615 WeakPolarHBondContact CD1-O 3.32Å; Y570-L615 HydrophobicContact CE1-CB 4.25Å; Y570-L615 PolarHBondContact N-O 2.91Å; Y570-L615 VanDerWaalsContact N-O 3.1Å; Y573-L615 HydrophobicContact CE2-CB 4.31Å; V578-L615 HydrophobicContact CB-CD1 4.05Å; V578-L615 HydrophobicContact CG1-CD1 4.19Å; V578-L615 HydrophobicContact CG2-CD1 3.98Å; I610-L615 HydrophobicContact CD1-CD2 4.06Å; I610-L615 HydrophobicContact CG1-CD2 3.83Å; I610-L615 HydrophobicContact CG1-CG 4.41Å; I610-L615 HydrophobicContact CG2-CD1 4.44Å; I610-L615 HydrophobicContact CG2-CD2 4.42Å; I610-L615 HydrophobicContact CG2-CG 4.08Å
616R98.7Very high98.1Very high40 Ų4031.6 Ų31.615%0.15115%0.154CC..SBendtrans-86.9-24176.2-171.765.5-179163.20.3113.3N495 R516 S560 L563 A564 Q567 G568 T569 Y570N495-R616 WeakPolarHBondContact OD1-CG 3.49Å; R516-R616 WeakPolarHBondContact CB-O 3.45Å; R516-R616 WeakPolarHBondContact CD-O 3.4Å; S560-R616 WeakPolarHBondContact O-CB 3.32Å; S560-R616 PolarHBondContact O-N 2.93Å; S560-R616 PolarHBondContact OG-N 3.06Å; S560-R616 VanDerWaalsContact OG-N 3.11Å; L563-R616 HydrophobicContact CB-CB 3.52Å; L563-R616 HydrophobicContact CB-CG 3.81Å; L563-R616 HydrophobicContact CD1-CB 4.47Å; A564-R616 HydrophobicContact CB-CB 4.49Å; Q567-R616 PolarHBondContact O-NH1 2.73Å; Q567-R616 VanDerWaalsContact O-NH1 3.16Å; G568-R616 WeakPolarHBondContact O-CD 3.46Å; G568-R616 PolarHBondContact O-NH1 3.19Å; T569-R616 PolarHBondContact O-NH1 2.84Å; T569-R616 VanDerWaalsContact O-NH1 3.13Å; Y570-R616 WeakPolarHBondContact CB-O 3.48Å
617N98.8Very high97.6Very high0 Ų033.2 Ų33.20%017%0.168CC..  trans-122.4133.5-178.6-57.8102.7000109.8N495 R516 I518 S560 L620N495-N617 PolarHBondContact OD1-ND2 2.73Å; R516-N617 WeakPolarHBondContact O-CA 3.49Å; R516-N617 WeakPolarHBondContact O-CB 3.31Å; R516-N617 PolarHBondContact O-ND2 3.36Å; I518-N617 HydrophobicContact CG1-CB 4.48Å; S560-N617 PolarHBondContact OG-N 2.92Å; N617-L620 HydrophobicContact CB-CD2 3.87Å
618S98.7Very high97.1Very high3 Ų332.5 Ų32.52%0.02117%0.172CC..SBendtrans-77.7-31.9-177.952.90000114.3N432 H433 H515N432-S618 WeakPolarHBondContact CB-O 3.26Å; N432-S618 PolarHBondContact ND2-O 2.89Å; H433-S618 VanDerWaalsContact NE2-CB 3.32Å; H433-S618 WeakPolarHBondContact NE2-CB 3.26Å; H433-S618 PolarHBondContact NE2-OG 3.3Å; H433-S618 VanDerWaalsContact NE2-OG 3.09Å; H515-S618 WeakPolarHBondContact O-CB 3.38Å; H515-S618 PolarHBondContact O-N 3.25Å; H515-S618 PolarHBondContact O-OG 3.11Å
619L98.8Very high96.9Very high0 Ų030 Ų300%015%0.15CC..  trans-140.9147.3-178.6-66.1167.7000108.8N432 H433 E450 P517 I518 D725 Q726N432-L619 HydrophobicContact CB-CD2 4Å; H433-L619 WeakPolarHBondContact NE2-CD1 3.24Å; E450-L619 HydrophobicContact CG-CD1 3.73Å; P517-L619 HydrophobicContact CB-CB 4.08Å; P517-L619 HydrophobicContact CB-CD1 4.35Å; I518-L619 WeakPolarHBondContact CG1-O 3.44Å; I518-L619 PolarHBondContact N-O 3.21Å; I518-L619 CarbonylContact O-C 3.48Å; I518-L619 VanDerWaalsContact O-O 3.09Å; L619-D725 WeakPolarHBondContact CA-OD2 3.28Å; L619-D725 HydrophobicContact CD2-CB 3.92Å; L619-Q726 HydrophobicContact CB-CG 3.86Å; L619-Q726 HydrophobicContact CD1-CG 4.2Å; L619-Q726 HydrophobicContact CD2-CG 4.41Å; L619-Q726 HydrophobicContact CG-CG 4.38Å
620L98.9Very high96.7Very high2 Ų226.3 Ų26.31%0.0114%0.136CC..  trans-130.6-47.8-162.3-63.5165.4000114I518 I520 Y553 L557 N617 D725I518-L620 HydrophobicContact CD1-CD2 3.93Å; I518-L620 HydrophobicContact CG1-CD2 4.08Å; I518-L620 CarbonylContact O-C 3.45Å; I518-L620 PolarHBondContact O-N 3.47Å; I520-L620 WeakPolarHBondContact CG1-O 3.37Å; I520-L620 PolarHBondContact N-O 2.97Å; Y553-L620 HydrophobicContact CD2-CD1 4.32Å; Y553-L620 HydrophobicContact CE2-CB 4.47Å; Y553-L620 HydrophobicContact CE2-CD1 3.92Å; L557-L620 HydrophobicContact CB-CD1 4.38Å; L557-L620 HydrophobicContact CD2-CD1 3.56Å; L557-L620 HydrophobicContact CG-CD1 3.67Å; N617-L620 HydrophobicContact CB-CD2 3.87Å; L620-D725 WeakPolarHBondContact CB-OD2 3.49Å; L620-D725 VanDerWaalsContact N-CG 3.25Å; L620-D725 PolarHBondContact N-OD1 3.34Å; L620-D725 PolarHBondContact N-OD2 2.62Å
621L98.8Very high96.3Very high0 Ų029 Ų290%015%0.149CC..BIsolated β-bridgetrans-115.8130-169.9-96.167.3000111.5I520 F549 M552 Y553 S556 F723 D725 Q726I520-L621 HydrophobicContact CB-CD1 4.23Å; I520-L621 HydrophobicContact CB-CG 4.46Å; I520-L621 WeakPolarHBondContact O-CA 3.45Å; F549-L621 HydrophobicContact CD1-CD2 4.11Å; M552-L621 HydrophobicContact CB-CD2 3.91Å; M552-L621 HydrophobicContact CE-CD2 4.45Å; Y553-L621 HydrophobicContact CD2-CD1 4.31Å; S556-L621 WeakPolarHBondContact OG-CD1 3.33Å; L621-F723 WeakPolarHBondContact CD2-O 3.33Å; L621-D725 PolarHBondContact N-OD1 3.24Å; L621-Q726 VanDerWaalsContact O-CB 3.3Å; L621-Q726 WeakPolarHBondContact O-CB 2.93Å; L621-Q726 WeakPolarHBondContact O-CG 3.48Å; L621-Q726 PolarHBondContact O-N 2.91Å
622A98.3Very high96.1Very high0 Ų023.3 Ų23.30%012%0.118CC..  trans-151.690.617900000110.5E447 I448 I520 M624 Q726E447-A622 HydrophobicContact CB-CB 4.4Å; E447-A622 HydrophobicContact CG-CB 3.98Å; I448-A622 HydrophobicContact CD1-CB 3.67Å; I520-A622 PolarHBondContact O-N 3.11Å; A622-M624 WeakPolarHBondContact O-CE 3.38Å; A622-M624 PolarHBondContact O-N 2.84Å; A622-Q726 HydrophobicContact CB-CB 3.92Å; A622-Q726 HydrophobicContact CB-CG 4.13Å
623P98.4Very high95.9Very high0 Ų017.1 Ų17.10%09%0.092CC..  trans-64.5104.1176.3-24.637.3000111.7E447 F549 T639 I724 S727 Q728 S729E447-P623 WeakPolarHBondContact CB-O 3.23Å; F549-P623 HydrophobicContact CE1-CG 3.64Å; F549-P623 HydrophobicContact CZ-CG 4.11Å; P623-T639 HydrophobicContact CB-CG2 4.31Å; P623-I724 HydrophobicContact CG-CD1 3.69Å; P623-I724 HydrophobicContact CG-CG1 4.26Å; P623-S727 WeakPolarHBondContact CD-O 3.29Å; P623-Q728 HydrophobicContact CB-CB 4.15Å; P623-Q728 HydrophobicContact CG-CB 4.2Å; P623-S729 PolarHBondContact O-N 3.17Å; P623-S729 PolarHBondContact O-OG 2.83Å
624M97.3Very high95.6Very high11 Ų1114.2 Ų14.25%0.0549%0.09CC..  trans-93.5166178.673.9-65.4-71.400112.2E447 L462 A463 A622 T626 S638E447-M624 HydrophobicContact CG-CB 3.82Å; E447-M624 WeakPolarHBondContact OE1-CB 3.38Å; L462-M624 HydrophobicContact CB-CE 3.93Å; L462-M624 HydrophobicContact CD1-CB 4.12Å; L462-M624 HydrophobicContact CD1-CE 3.95Å; L462-M624 HydrophobicContact CD1-CG 4.08Å; L462-M624 HydrophobicContact CD2-CE 3.54Å; L462-M624 HydrophobicContact CG-CE 3.98Å; A463-M624 WeakPolarHBondContact O-CE 3.39Å; A622-M624 WeakPolarHBondContact O-CE 3.38Å; A622-M624 PolarHBondContact O-N 2.84Å; M624-T626 HydrophobicContact CG-CG2 4.16Å; M624-T626 HydrophobicContact SD-CG2 3.99Å; M624-S638 WeakPolarHBondContact O-CB 3.48Å; M624-S638 PolarHBondContact O-OG 3.35Å
625P94.9Very high95.4Very high37 Ų3715.2 Ų15.224%0.2410%0.095CC..  trans-69.1139.8166-12.831.9000109.5C445 S729 Y759C445-P625 HydrophobicContact CB-CG 4.03Å; P625-S729 WeakPolarHBondContact CD-OG 3.18Å; P625-Y759 HydrophobicContact CG-CD1 4.44Å; P625-Y759 HydrophobicContact CG-CE1 3.82Å
626T94.5Very high95.2Very high3 Ų316.5 Ų16.52%0.01810%0.102CC..  trans-117.622.3-175.151.30000114Q523 M624 S628 T629 S630 S638Q523-T626 HydrophobicContact CB-CG2 4.2Å; M624-T626 HydrophobicContact CG-CG2 4.16Å; M624-T626 HydrophobicContact SD-CG2 3.99Å; T626-S628 VanDerWaalsContact C-N 3.26Å; T626-S628 CarbonylContact O-C 3.49Å; T626-S628 PolarHBondContact O-N 2.94Å; T626-T629 WeakPolarHBondContact CB-OG1 3.47Å; T626-T629 PolarHBondContact O-N 3.34Å; T626-T629 PolarHBondContact O-OG1 3.2Å; T626-S630 WeakPolarHBondContact O-CB 3.49Å; T626-S630 PolarHBondContact O-N 2.92Å; T626-S630 PolarHBondContact O-OG 3.29Å; T626-S638 PolarHBondContact OG1-N 3.19Å
627A87.3Confident95.1Very high41 Ų4117.5 Ų17.534%0.33911%0.108SC..Hα-helixtrans-34.1-48-176.500000116.8Q631 E637A627-Q631 WeakPolarHBondContact O-CG 3.36Å; A627-Q631 PolarHBondContact O-NE2 3.38Å; A627-Q631 VanDerWaalsContact O-NE2 3.1Å; A627-E637 VanDerWaalsContact CA-CD 3.4Å; A627-E637 VanDerWaalsContact CA-OE2 3.26Å; A627-E637 WeakPolarHBondContact CA-OE2 3.43Å; A627-E637 WeakPolarHBondContact CB-OE2 3.36Å; A627-E637 PolarHBondContact N-OE2 3.4Å
628S87.7Confident95Very high40 Ų4017.6 Ų17.628%0.2811%0.109SC..Hα-helixtrans-85.6-41.5178.7-54.50000113.3Y171 T626 Q631 I632Y171-S628 WeakPolarHBondContact OH-CB 3.37Å; T626-S628 VanDerWaalsContact C-N 3.26Å; T626-S628 CarbonylContact O-C 3.49Å; T626-S628 PolarHBondContact O-N 2.94Å; S628-Q631 PolarHBondContact O-N 2.83Å; S628-I632 WeakPolarHBondContact O-CG1 3.45Å; S628-I632 PolarHBondContact O-N 3.31Å; S628-I632 VanDerWaalsContact O-N 3.12Å
629T93.9Very high94.9Very high10 Ų1017.8 Ų17.86%0.06111%0.11CC..Hα-helixtrans-76.3-34.3-174.446.90000112.7T215 T626 Q631 I632 L633T215-T629 HydrophobicContact CG2-CG2 3.9Å; T626-T629 WeakPolarHBondContact CB-OG1 3.47Å; T626-T629 PolarHBondContact O-N 3.34Å; T626-T629 PolarHBondContact O-OG1 3.2Å; T629-Q631 VanDerWaalsContact C-N 3.34Å; T629-I632 PolarHBondContact O-N 3.04Å; T629-L633 PolarHBondContact O-N 2.98Å; T629-L633 VanDerWaalsContact O-N 3.1Å
630S94.6Very high94.8Very high2 Ų219 Ų191%0.01412%0.116CC..Hα-helixtrans-63.1-40.6170.766.30000111.5Q523 T626 I632 L633 G634 N635 E637Q523-S630 VanDerWaalsContact OE1-CA 3.27Å; T626-S630 WeakPolarHBondContact O-CB 3.49Å; T626-S630 PolarHBondContact O-N 2.92Å; T626-S630 PolarHBondContact O-OG 3.29Å; S630-I632 PolarHBondContact O-N 3.35Å; S630-L633 PolarHBondContact O-N 3.16Å; S630-G634 CarbonylContact O-C 3.46Å; S630-G634 WeakPolarHBondContact O-CA 2.97Å; S630-G634 PolarHBondContact O-N 3.24Å; S630-N635 WeakPolarHBondContact CB-O 3.44Å; S630-N635 PolarHBondContact O-N 2.64Å; S630-E637 WeakPolarHBondContact OG-CG 3.41Å
631Q90.1Very high94.7Very high57 Ų5719.2 Ų19.227%0.26612%0.117SC..Hα-helixtrans-64.1-40.4175-71.3174.917.700112.5G163 A627 S628 T629 G634G163-Q631 VanDerWaalsContact CA-O 3.24Å; G163-Q631 WeakPolarHBondContact CA-O 3.11Å; A627-Q631 WeakPolarHBondContact O-CG 3.36Å; A627-Q631 PolarHBondContact O-NE2 3.38Å; A627-Q631 VanDerWaalsContact O-NE2 3.1Å; S628-Q631 PolarHBondContact O-N 2.83Å; T629-Q631 VanDerWaalsContact C-N 3.34Å; Q631-G634 PolarHBondContact O-N 3.41Å
632I93.2Very high94.5Very high3 Ų320.2 Ų20.22%0.01512%0.122CC..Hα-helixtrans-59.7-46.6175.5-70.5166.5000110.5Y159 T166 L167 Y171 S628 T629 S630Y159-I632 VanDerWaalsContact CD1-O 3.25Å; Y159-I632 WeakPolarHBondContact CD1-O 3.32Å; Y159-I632 HydrophobicContact CE1-CG2 3.85Å; Y159-I632 WeakPolarHBondContact CE1-O 3.37Å; T166-I632 HydrophobicContact CG2-CD1 4.31Å; T166-I632 HydrophobicContact CG2-CG1 3.9Å; L167-I632 HydrophobicContact CD1-CG2 4Å; L167-I632 HydrophobicContact CD2-CD1 3.93Å; L167-I632 HydrophobicContact CD2-CG1 4.18Å; L167-I632 HydrophobicContact CD2-CG2 3.94Å; L167-I632 HydrophobicContact CG-CD1 4.46Å; L167-I632 HydrophobicContact CG-CG1 4.19Å; L167-I632 HydrophobicContact CG-CG2 4.01Å; Y171-I632 HydrophobicContact CD1-CD1 4.46Å; Y171-I632 HydrophobicContact CD2-CD1 4.14Å; Y171-I632 HydrophobicContact CE1-CD1 4.05Å; Y171-I632 HydrophobicContact CE2-CD1 3.71Å; S628-I632 WeakPolarHBondContact O-CG1 3.45Å; S628-I632 PolarHBondContact O-N 3.31Å; S628-I632 VanDerWaalsContact O-N 3.12Å; T629-I632 PolarHBondContact O-N 3.04Å; S630-I632 PolarHBondContact O-N 3.35Å
633L95.3Very high94.2Very high16 Ų1623.3 Ų23.38%0.08414%0.14CC..Hα-helixtrans-80.5-18.5-179.2-59.2-166.7000113.5K212 T215 T629 S630K212-L633 HydrophobicContact CB-CD2 4.04Å; K212-L633 HydrophobicContact CD-CD2 4.29Å; K212-L633 HydrophobicContact CG-CD2 3.97Å; T215-L633 HydrophobicContact CG2-CD1 4Å; T215-L633 HydrophobicContact CG2-CG 4.38Å; T629-L633 PolarHBondContact O-N 2.98Å; T629-L633 VanDerWaalsContact O-N 3.1Å; S630-L633 PolarHBondContact O-N 3.16Å
634G92.1Very high94Very high30 Ų3024.2 Ų24.231%0.30915%0.147SC..THydrogen-bonded Turntrans8726.4-179.100000114.6N160 S630 Q631N160-G634 WeakPolarHBondContact ND2-CA 2.98Å; S630-G634 CarbonylContact O-C 3.46Å; S630-G634 WeakPolarHBondContact O-CA 2.97Å; S630-G634 PolarHBondContact O-N 3.24Å; Q631-G634 PolarHBondContact O-N 3.41Å
635N94.6Very high93.8Very high22 Ų2223.7 Ų23.712%0.11814%0.144CC..  trans-105.1167.6-178.9-60.4-39.4000112S466 Q523 S630S466-N635 PolarHBondContact OG-ND2 2.92Å; Q523-N635 PolarHBondContact OE1-ND2 3.44Å; S630-N635 WeakPolarHBondContact CB-O 3.44Å; S630-N635 PolarHBondContact O-N 2.64Å
636N95.2Very high93.5Very high29 Ų2922.7 Ų22.716%0.15514%0.137CC..  trans-69.2159.4163.1-15852.6000111.9G524 A526 D527 E640 P641 F642G524-N636 PolarHBondContact N-O 2.84Å; A526-N636 HydrophobicContact CB-CB 4.25Å; D527-N636 PolarHBondContact OD1-N 3.44Å; D527-N636 WeakPolarHBondContact OD2-CA 3.45Å; D527-N636 WeakPolarHBondContact OD2-CB 3.25Å; D527-N636 PolarHBondContact OD2-N 3.09Å; N636-E640 PolarHBondContact ND2-O 2.87Å; N636-P641 VanDerWaalsContact ND2-C 3.34Å; N636-P641 PolarHBondContact ND2-O 3.31Å; N636-F642 HydrophobicContact CB-CD1 4.05Å; N636-F642 HydrophobicContact CB-CE1 3.82Å
637E95Very high92.9Very high61 Ų6125.6 Ų25.629%0.28515%0.15SC..  trans-72.6133.7-177.8-63.1-168.6-152.400112.5A627 S630 T639 E640A627-E637 VanDerWaalsContact CA-CD 3.4Å; A627-E637 VanDerWaalsContact CA-OE2 3.26Å; A627-E637 WeakPolarHBondContact CA-OE2 3.43Å; A627-E637 WeakPolarHBondContact CB-OE2 3.36Å; A627-E637 PolarHBondContact N-OE2 3.4Å; S630-E637 WeakPolarHBondContact OG-CG 3.41Å; E637-T639 PolarHBondContact O-N 2.94Å; E637-E640 WeakPolarHBondContact O-CB 3.37Å; E637-E640 PolarHBondContact O-N 3.13Å
638S96.6Very high92.2Very high2 Ų226.4 Ų26.41%0.01415%0.153CC..THydrogen-bonded Turntrans45.7-132.1166.7-166.40000113.8V522 G524 L525 M624 T626 E640V522-S638 WeakPolarHBondContact O-CA 3.2Å; G524-S638 PolarHBondContact N-O 2.72Å; L525-S638 PolarHBondContact N-O 2.7Å; M624-S638 WeakPolarHBondContact O-CB 3.48Å; M624-S638 PolarHBondContact O-OG 3.35Å; T626-S638 PolarHBondContact OG1-N 3.19Å; S638-E640 VanDerWaalsContact C-N 3.34Å
639T97.7Very high91.5Very high8 Ų827.3 Ų27.35%0.04915%0.15CC..THydrogen-bonded Turntrans-93.312.8171.861.20000112.6V522 L525 F536 F549 P623 E637 R720V522-T639 HydrophobicContact CG2-CG2 3.51Å; L525-T639 HydrophobicContact CD2-CG2 4.14Å; F536-T639 WeakPolarHBondContact CZ-O 3.37Å; F549-T639 HydrophobicContact CE2-CG2 4.12Å; F549-T639 HydrophobicContact CZ-CG2 3.64Å; P623-T639 HydrophobicContact CB-CG2 4.31Å; E637-T639 PolarHBondContact O-N 2.94Å; T639-R720 PolarHBondContact OG1-NH2 3.08Å
640E96.2Very high90.2Very high26 Ų2636.4 Ų36.412%0.12118%0.184CC..PPolyproline II helixtrans-83.2150.6-171.7-60.8-164.1-179.200112.3A526 N636 E637 S638 N731A526-E640 WeakPolarHBondContact CB-O 3.38Å; N636-E640 PolarHBondContact ND2-O 2.87Å; E637-E640 WeakPolarHBondContact O-CB 3.37Å; E637-E640 PolarHBondContact O-N 3.13Å; S638-E640 VanDerWaalsContact C-N 3.34Å; E640-N731 PolarHBondContact OE1-ND2 2.97Å
641P96.8Very high88.7Confident6 Ų638.3 Ų38.34%0.03920%0.195CC..PPolyproline II helixtrans-65.6170164.5-14.628.3000112.1F536 N636 T643 V705 I708 I713F536-P641 HydrophobicContact CD1-CB 4.4Å; F536-P641 HydrophobicContact CD1-CG 3.88Å; F536-P641 HydrophobicContact CD2-CB 3.96Å; F536-P641 HydrophobicContact CD2-CG 4.18Å; F536-P641 HydrophobicContact CE1-CB 4.5Å; F536-P641 HydrophobicContact CE1-CG 3.7Å; F536-P641 HydrophobicContact CE2-CB 4.05Å; F536-P641 HydrophobicContact CE2-CG 3.99Å; F536-P641 HydrophobicContact CG-CB 4.16Å; F536-P641 HydrophobicContact CG-CG 4.14Å; F536-P641 HydrophobicContact CZ-CB 4.33Å; F536-P641 HydrophobicContact CZ-CG 3.75Å; N636-P641 VanDerWaalsContact ND2-C 3.34Å; N636-P641 PolarHBondContact ND2-O 3.31Å; P641-T643 PolarHBondContact O-N 2.7Å; P641-V705 HydrophobicContact CB-CB 4.2Å; P641-V705 HydrophobicContact CB-CG2 4.42Å; P641-V705 HydrophobicContact CG-CB 4.36Å; P641-V705 HydrophobicContact CG-CG2 4.04Å; P641-I708 HydrophobicContact CB-CD1 3.58Å; P641-I708 HydrophobicContact CG-CD1 3.78Å; P641-I713 HydrophobicContact CG-CD1 3.57Å
642F95.3Very high87Confident21 Ų2143.1 Ų43.19%0.09222%0.222CC..PPolyproline II helixtrans-65.4126.6170-60.5-63.3000110.4A526 C530 N636 S644 Y662 T704 V705A526-F642 HydrophobicContact CB-CD1 4.29Å; A526-F642 HydrophobicContact CB-CD2 4.17Å; A526-F642 HydrophobicContact CB-CE1 4.05Å; A526-F642 HydrophobicContact CB-CE2 3.91Å; A526-F642 HydrophobicContact CB-CG 4.35Å; A526-F642 HydrophobicContact CB-CZ 3.84Å; C530-F642 HydrophobicContact CB-CE2 4.17Å; C530-F642 HydrophobicContact CB-CZ 4.41Å; N636-F642 HydrophobicContact CB-CD1 4.05Å; N636-F642 HydrophobicContact CB-CE1 3.82Å; F642-S644 VanDerWaalsContact C-N 3.31Å; F642-S644 PolarHBondContact O-N 3.31Å; F642-Y662 HydrophobicContact CE1-CE2 4.37Å; F642-Y662 AromaticContact CZ-CD2 3.79Å; F642-Y662 HydrophobicContact CZ-CD2 3.79Å; F642-Y662 AromaticContact CZ-CE2 3.87Å; F642-Y662 HydrophobicContact CZ-CE2 3.87Å; F642-T704 CarbonylContact O-C 3.54Å; F642-T704 VanDerWaalsContact O-CA 3.23Å; F642-T704 WeakPolarHBondContact O-CA 3.18Å; F642-V705 PolarHBondContact O-N 2.93Å
643T92.1Very high85.3Confident64 Ų6445.3 Ų45.339%0.39324%0.237SC..SBendtrans-69.6-31.4176.2-43.80000112.2P641 V705 W706P641-T643 PolarHBondContact O-N 2.7Å; T643-V705 HydrophobicContact CG2-CG1 4.16Å; T643-W706 HydrophobicContact CG2-CZ2 4.1Å; T643-W706 PolarHBondContact O-NE1 3.22Å
644S93.3Very high83.9Confident19 Ų1946 Ų4613%0.13325%0.248CC..  trans-160.4147.7-179.1176.10000110.2F642 V646 G686F642-S644 VanDerWaalsContact C-N 3.31Å; F642-S644 PolarHBondContact O-N 3.31Å; S644-V646 VanDerWaalsContact OG-C 3.28Å; S644-V646 PolarHBondContact OG-N 3.31Å; S644-V646 VanDerWaalsContact OG-N 3.1Å; S644-V646 PolarHBondContact OG-O 2.96Å; S644-G686 WeakPolarHBondContact OG-CA 3.42Å
645N94.1Very high83Confident0 Ų049.7 Ų49.70%026%0.258CS..SBendtrans-83-13.3171-62-64.7000113.9V659 N660 L663 G686 Y702N645-V659 CarbonylContact O-C 3.52Å; N645-V659 WeakPolarHBondContact O-CA 3.48Å; N645-N660 HydrophobicContact CB-CB 4.21Å; N645-N660 PolarHBondContact O-N 3.27Å; N645-N660 PolarHBondContact OD1-ND2 3.14Å; N645-N660 VanDerWaalsContact OD1-ND2 3.15Å; N645-L663 HydrophobicContact CB-CD2 3.65Å; N645-G686 VanDerWaalsContact CB-O 3.23Å; N645-G686 WeakPolarHBondContact CB-O 3.31Å; N645-G686 PolarHBondContact N-O 3.43Å; N645-G686 PolarHBondContact ND2-O 3.18Å; N645-Y702 PolarHBondContact ND2-O 3.34Å
646V88.9Confident82.3Confident16 Ų1649.6 Ų49.610%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-136.6116.3169.4-179.70000108.7S644 I658 V659 I681 V682S644-V646 VanDerWaalsContact OG-C 3.28Å; S644-V646 PolarHBondContact OG-N 3.31Å; S644-V646 VanDerWaalsContact OG-N 3.1Å; S644-V646 PolarHBondContact OG-O 2.96Å; V646-I658 CarbonylContact C-O 3.46Å; V646-I658 WeakPolarHBondContact CA-O 3.29Å; V646-V659 HydrophobicContact CG2-CG1 4.22Å; V646-V659 HydrophobicContact CG2-CG2 4.23Å; V646-I681 HydrophobicContact CB-CG2 4.16Å; V646-I681 HydrophobicContact CG2-CB 4.1Å; V646-I681 HydrophobicContact CG2-CG2 3.46Å; V646-I681 VanDerWaalsContact CG2-CG2 3.46Å; V646-V682 HydrophobicContact CB-CG2 4.35Å; V646-V682 HydrophobicContact CG1-CG2 3.71Å
647F80.2Confident81.6Confident65 Ų6552 Ų5229%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-127.2151.3-178.851.9-88.7000110.7R649 I658F647-R649 HydrophobicContact CD2-CG 3.9Å; F647-R649 HydrophobicContact CE2-CG 3.99Å; F647-R649 VanDerWaalsContact CE2-NE 3.32Å; F647-I658 HydrophobicContact CD2-CB 4.02Å; F647-I658 HydrophobicContact CD2-CD1 4.5Å; F647-I658 HydrophobicContact CE1-CB 4.49Å; F647-I658 HydrophobicContact CE1-CG2 4.23Å; F647-I658 HydrophobicContact CE2-CB 3.55Å; F647-I658 HydrophobicContact CE2-CD1 3.82Å; F647-I658 HydrophobicContact CE2-CG1 4.23Å; F647-I658 HydrophobicContact CE2-CG2 3.7Å; F647-I658 HydrophobicContact CZ-CB 3.83Å; F647-I658 HydrophobicContact CZ-CG2 3.49Å; F647-I658 VanDerWaalsContact CZ-CG2 3.49Å; F647-I658 PolarHBondContact N-O 3.49Å; F647-I658 PolarHBondContact O-N 3.03Å
648S74.2Confident81Confident58 Ų5849.9 Ų49.941%0.40626%0.257SS..EExtended strand (participates in β ladder)trans-95.3129.8176.5-160.90000109.8E655S648-E655 VanDerWaalsContact CB-OE1 3.31Å; S648-E655 WeakPolarHBondContact CB-OE1 3.35Å; S648-E655 WeakPolarHBondContact OG-CG 3.29Å; S648-E655 PolarHBondContact OG-OE1 3.38Å
649R71.5Confident80.7Confident58 Ų5850 Ų5022%0.21926%0.257CS..EExtended strand (participates in β ladder)trans-112.5121.7173.6-74.4-157.2-175169.75.4110.4F162 F647 E655 F656 I658F162-R649 HydrophobicContact CE1-CB 4.17Å; F647-R649 HydrophobicContact CD2-CG 3.9Å; F647-R649 HydrophobicContact CE2-CG 3.99Å; F647-R649 VanDerWaalsContact CE2-NE 3.32Å; R649-E655 CarbonylContact O-C 3.58Å; R649-E655 WeakPolarHBondContact O-CA 3.43Å; R649-F656 PolarHBondContact N-O 3.03Å; R649-F656 PolarHBondContact O-N 2.79Å; R649-I658 HydrophobicContact CB-CD1 3.89Å; R649-I658 HydrophobicContact CG-CD1 3.52Å; R649-I658 HydrophobicContact CG-CG1 4.45Å
650R66.6Low80.4Confident202 Ų20249.7 Ų49.776%0.76226%0.256SS*.EExtended strand (participates in β ladder)trans-86.7123.3170.3-68-179177.5167.23.7110.2E655R650-E655 HydrophobicContact CG-CB 4.12Å; R650-E655 HydrophobicContact CG-CG 3.85Å; R650-E655 IonicContact CZ-OE2 2.95Å; R650-E655 IonicContact NE-OE1 3.39Å; R650-E655 IonicContact NE-OE2 3.8Å; R650-E655 PolarHBondContact NE-OE2 2.82Å; R650-E655 IonicContact NH2-OE2 3.38Å; R650-E655 PolarHBondContact NH2-OE2 2.81Å
651V64.7Low80.1Confident42 Ų4250.7 Ų50.726%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-122.2170.9166.3-62.50000108.8F162 S653 G654 F656F162-V651 HydrophobicContact CD1-CG1 3.76Å; F162-V651 HydrophobicContact CE1-CG1 3.83Å; V651-S653 VanDerWaalsContact CG2-OG 3.32Å; V651-S653 WeakPolarHBondContact CG2-OG 3.49Å; V651-S653 PolarHBondContact O-N 3.23Å; V651-G654 WeakPolarHBondContact CG2-O 3.39Å; V651-G654 PolarHBondContact N-O 3.03Å; V651-G654 PolarHBondContact O-N 3.49Å; V651-F656 HydrophobicContact CG2-CD2 3.51Å; V651-F656 HydrophobicContact CG2-CE2 3.23Å; V651-F656 HydrophobicContact CG2-CZ 4.4Å
652L52.7Low80Confident157 Ų15752.1 Ų52.182%0.82227%0.269SS*.THydrogen-bonded Turntrans-57.5-32.6179.1-91155.2000113.3G654L652-G654 VanDerWaalsContact C-N 3.28Å; L652-G654 PolarHBondContact O-N 3.22Å
653S58.2Low80Confident49 Ų4951.1 Ų51.134%0.34327%0.265SS..THydrogen-bonded Turntrans-82.2-1.4178.5570000114.2E78 V651E78-S653 WeakPolarHBondContact OE1-CB 3.49Å; V651-S653 VanDerWaalsContact CG2-OG 3.32Å; V651-S653 WeakPolarHBondContact CG2-OG 3.49Å; V651-S653 PolarHBondContact O-N 3.23Å
654G67Low80.1Confident31 Ų3148.1 Ų48.132%0.3225%0.246SC..EExtended strand (participates in β ladder)trans138.7-169.9176.100000114.3V651 L652V651-G654 WeakPolarHBondContact CG2-O 3.39Å; V651-G654 PolarHBondContact N-O 3.03Å; V651-G654 PolarHBondContact O-N 3.49Å; L652-G654 VanDerWaalsContact C-N 3.28Å; L652-G654 PolarHBondContact O-N 3.22Å
655E73.1Confident80Confident108 Ų10848.4 Ų48.451%0.50525%0.246SC..EExtended strand (participates in β ladder)trans-106.3119.8179.6-174.2166168.300109.5S648 R649 R650S648-E655 VanDerWaalsContact CB-OE1 3.31Å; S648-E655 WeakPolarHBondContact CB-OE1 3.35Å; S648-E655 WeakPolarHBondContact OG-CG 3.29Å; S648-E655 PolarHBondContact OG-OE1 3.38Å; R649-E655 CarbonylContact O-C 3.58Å; R649-E655 WeakPolarHBondContact O-CA 3.43Å; R650-E655 HydrophobicContact CG-CB 4.12Å; R650-E655 HydrophobicContact CG-CG 3.85Å; R650-E655 IonicContact CZ-OE2 2.95Å; R650-E655 IonicContact NE-OE1 3.39Å; R650-E655 IonicContact NE-OE2 3.8Å; R650-E655 PolarHBondContact NE-OE2 2.82Å; R650-E655 IonicContact NH2-OE2 3.38Å; R650-E655 PolarHBondContact NH2-OE2 2.81Å
656F78.8Confident80Confident19 Ų1949.4 Ų49.48%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-114.5127.8-174.8-64.3-95.8000109.7A81 F162 R649 V651A81-F656 HydrophobicContact CB-CD1 4Å; A81-F656 HydrophobicContact CB-CE1 3.67Å; A81-F656 HydrophobicContact CB-CZ 4.35Å; F162-F656 HydrophobicContact CE1-CB 4.26Å; F162-F656 HydrophobicContact CE1-CD2 4.32Å; F162-F656 HydrophobicContact CE1-CG 4.4Å; F162-F656 HydrophobicContact CZ-CB 3.79Å; F162-F656 HydrophobicContact CZ-CD2 4.49Å; F162-F656 HydrophobicContact CZ-CG 4.12Å; R649-F656 PolarHBondContact N-O 3.03Å; R649-F656 PolarHBondContact O-N 2.79Å; V651-F656 HydrophobicContact CG2-CD2 3.51Å; V651-F656 HydrophobicContact CG2-CE2 3.23Å; V651-F656 HydrophobicContact CG2-CZ 4.4Å
657Q81.6Confident80.3Confident80 Ų8048.6 Ų48.637%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-76.4135.7168.5-69.9179.1-5.800109.8T85 K678T85-Q657 HydrophobicContact CG2-CB 3.66Å; T85-Q657 VanDerWaalsContact CG2-O 3.22Å; T85-Q657 WeakPolarHBondContact CG2-O 3.22Å; Q657-K678 VanDerWaalsContact OE1-CE 3.25Å
658I82.3Confident80.9Confident16 Ų1646.5 Ų46.58%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-127131.2178-57.8176.5000107.5F162 V646 F647 R649F162-I658 HydrophobicContact CD2-CD1 3.53Å; F162-I658 HydrophobicContact CE1-CD1 4.19Å; F162-I658 HydrophobicContact CE2-CD1 3.11Å; F162-I658 HydrophobicContact CE2-CG1 3.78Å; F162-I658 HydrophobicContact CG-CD1 4.23Å; F162-I658 HydrophobicContact CZ-CD1 3.49Å; F162-I658 VanDerWaalsContact CZ-CD1 3.49Å; F162-I658 HydrophobicContact CZ-CG1 4.04Å; V646-I658 CarbonylContact C-O 3.46Å; V646-I658 WeakPolarHBondContact CA-O 3.29Å; F647-I658 HydrophobicContact CD2-CB 4.02Å; F647-I658 HydrophobicContact CD2-CD1 4.5Å; F647-I658 HydrophobicContact CE1-CB 4.49Å; F647-I658 HydrophobicContact CE1-CG2 4.23Å; F647-I658 HydrophobicContact CE2-CB 3.55Å; F647-I658 HydrophobicContact CE2-CD1 3.82Å; F647-I658 HydrophobicContact CE2-CG1 4.23Å; F647-I658 HydrophobicContact CE2-CG2 3.7Å; F647-I658 HydrophobicContact CZ-CB 3.83Å; F647-I658 HydrophobicContact CZ-CG2 3.49Å; F647-I658 VanDerWaalsContact CZ-CG2 3.49Å; F647-I658 PolarHBondContact N-O 3.49Å; F647-I658 PolarHBondContact O-N 3.03Å; R649-I658 HydrophobicContact CB-CD1 3.89Å; R649-I658 HydrophobicContact CG-CD1 3.52Å; R649-I658 HydrophobicContact CG-CG1 4.45Å
659V88.8Confident81.7Confident4 Ų450.1 Ų50.12%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-95.6144.3174.4-171.50000107.7N645 V646 P661 L664 W673N645-V659 CarbonylContact O-C 3.52Å; N645-V659 WeakPolarHBondContact O-CA 3.48Å; V646-V659 HydrophobicContact CG2-CG1 4.22Å; V646-V659 HydrophobicContact CG2-CG2 4.23Å; V659-P661 WeakPolarHBondContact O-CD 3.16Å; V659-P661 VanDerWaalsContact O-N 3.08Å; V659-L664 HydrophobicContact CB-CD2 4.31Å; V659-L664 HydrophobicContact CG1-CB 4.08Å; V659-W673 HydrophobicContact CB-CH2 4.32Å; V659-W673 HydrophobicContact CG1-CH2 3.71Å; V659-W673 HydrophobicContact CG1-CZ2 4.37Å; V659-W673 HydrophobicContact CG1-CZ3 4.15Å; V659-W673 HydrophobicContact CG2-CH2 3.69Å; V659-W673 HydrophobicContact CG2-CZ2 3.8Å
660N92.3Very high82.8Confident3 Ų351.3 Ų51.32%0.01626%0.258CS..  trans-52.2115.8169.1178.8-16.7000108.6N645 Y662 L663 L664N645-N660 HydrophobicContact CB-CB 4.21Å; N645-N660 PolarHBondContact O-N 3.27Å; N645-N660 PolarHBondContact OD1-ND2 3.14Å; N645-N660 VanDerWaalsContact OD1-ND2 3.15Å; N660-Y662 PolarHBondContact O-N 3.24Å; N660-Y662 VanDerWaalsContact OD1-CD2 3.23Å; N660-Y662 WeakPolarHBondContact OD1-CD2 3.36Å; N660-Y662 PolarHBondContact OD1-N 2.97Å; N660-Y662 VanDerWaalsContact OD1-N 3.11Å; N660-L663 HydrophobicContact CB-CB 4.08Å; N660-L663 PolarHBondContact O-N 2.87Å; N660-L664 WeakPolarHBondContact O-CB 3.45Å; N660-L664 PolarHBondContact O-N 3.4Å
661P90.9Very high84.1Confident46 Ų4650.4 Ų50.430%0.29926%0.262SS..Hα-helixtrans-62.6-32.2-17225-34.3000112H88 V659 L664 D665H88-P661 HydrophobicContact CB-CB 4.17Å; V659-P661 WeakPolarHBondContact O-CD 3.16Å; V659-P661 VanDerWaalsContact O-N 3.08Å; P661-L664 PolarHBondContact O-N 2.85Å; P661-D665 VanDerWaalsContact O-CG 3.29Å; P661-D665 PolarHBondContact O-N 2.9Å
662Y93.9Very high85.5Confident37 Ų3751.3 Ų51.315%0.14527%0.266CS..Hα-helixtrans-68.6-44.5178.9-51-60.7000111.9D527 C530 L531 F642 N660 L664 D665 D666 Y702D527-Y662 HydrophobicContact CB-CE2 4Å; D527-Y662 WeakPolarHBondContact CB-OH 3.16Å; D527-Y662 WeakPolarHBondContact OD1-CE2 3.36Å; D527-Y662 PolarHBondContact OD1-OH 2.9Å; C530-Y662 HydrophobicContact CB-CD2 4.15Å; C530-Y662 HydrophobicContact CB-CG 4.35Å; C530-Y662 WeakPolarHBondContact SG-CB 3.21Å; L531-Y662 HydrophobicContact CD1-CE1 4.45Å; L531-Y662 HydrophobicContact CD2-CD1 4.09Å; L531-Y662 HydrophobicContact CD2-CE1 3.71Å; L531-Y662 HydrophobicContact CG-CD1 4.48Å; L531-Y662 HydrophobicContact CG-CE1 3.94Å; F642-Y662 HydrophobicContact CE1-CE2 4.37Å; F642-Y662 AromaticContact CZ-CD2 3.79Å; F642-Y662 HydrophobicContact CZ-CD2 3.79Å; F642-Y662 AromaticContact CZ-CE2 3.87Å; F642-Y662 HydrophobicContact CZ-CE2 3.87Å; N660-Y662 PolarHBondContact O-N 3.24Å; N660-Y662 VanDerWaalsContact OD1-CD2 3.23Å; N660-Y662 WeakPolarHBondContact OD1-CD2 3.36Å; N660-Y662 PolarHBondContact OD1-N 2.97Å; N660-Y662 VanDerWaalsContact OD1-N 3.11Å; Y662-L664 VanDerWaalsContact C-N 3.32Å; Y662-L664 PolarHBondContact O-N 3.33Å; Y662-D665 PolarHBondContact O-N 2.83Å; Y662-D666 PolarHBondContact O-N 2.87Å; Y662-D666 VanDerWaalsContact O-N 3.09Å; Y662-Y702 PolarHBondContact O-OH 3.18Å; Y662-Y702 VanDerWaalsContact O-OH 3.05Å
663L95.2Very high87.4Confident0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-62.3-43.5174.7175.666.2000110.7N645 N660 D665 D666 L667 I681 I688 Y702N645-L663 HydrophobicContact CB-CD2 3.65Å; N660-L663 HydrophobicContact CB-CB 4.08Å; N660-L663 PolarHBondContact O-N 2.87Å; L663-D665 VanDerWaalsContact C-N 3.33Å; L663-D665 PolarHBondContact O-N 3.11Å; L663-D666 PolarHBondContact O-N 3.02Å; L663-L667 HydrophobicContact CD1-CD1 3.7Å; L663-L667 HydrophobicContact CD1-CG 3.89Å; L663-L667 HydrophobicContact CD2-CD1 4.3Å; L663-L667 HydrophobicContact CG-CD1 3.74Å; L663-L667 HydrophobicContact CG-CG 4.26Å; L663-L667 WeakPolarHBondContact O-CB 3.24Å; L663-L667 VanDerWaalsContact O-CG 3.32Å; L663-L667 WeakPolarHBondContact O-CG 3.26Å; L663-L667 PolarHBondContact O-N 3.24Å; L663-I681 HydrophobicContact CD2-CD1 4.3Å; L663-I688 HydrophobicContact CD1-CD1 4.1Å; L663-I688 HydrophobicContact CD1-CG2 4.45Å; L663-I688 HydrophobicContact CD2-CG2 3.73Å; L663-Y702 VanDerWaalsContact CA-CZ 3.5Å; L663-Y702 HydrophobicContact CB-CD1 3.86Å; L663-Y702 HydrophobicContact CB-CD2 4.4Å; L663-Y702 HydrophobicContact CB-CE1 3.76Å; L663-Y702 HydrophobicContact CB-CE2 4.3Å; L663-Y702 HydrophobicContact CB-CG 4.19Å; L663-Y702 HydrophobicContact CD1-CD1 4.4Å; L663-Y702 HydrophobicContact CD1-CD2 3.5Å; L663-Y702 VanDerWaalsContact CD1-CD2 3.5Å; L663-Y702 HydrophobicContact CD1-CE2 3.71Å; L663-Y702 HydrophobicContact CD1-CG 3.88Å; L663-Y702 PolarHBondContact N-OH 2.96Å
664L93.1Very high88.9Confident1 Ų145.3 Ų45.31%0.00523%0.231CC..Hα-helixtrans-61-43.4178.7-177.354.2000111.4H88 V659 N660 P661 Y662 T668 W673H88-L664 HydrophobicContact CB-CD2 4.1Å; V659-L664 HydrophobicContact CB-CD2 4.31Å; V659-L664 HydrophobicContact CG1-CB 4.08Å; N660-L664 WeakPolarHBondContact O-CB 3.45Å; N660-L664 PolarHBondContact O-N 3.4Å; P661-L664 PolarHBondContact O-N 2.85Å; Y662-L664 VanDerWaalsContact C-N 3.32Å; Y662-L664 PolarHBondContact O-N 3.33Å; L664-T668 WeakPolarHBondContact O-CB 3.48Å; L664-T668 PolarHBondContact O-N 3.42Å; L664-T668 PolarHBondContact O-OG1 3.06Å; L664-W673 HydrophobicContact CD1-CB 4.4Å; L664-W673 HydrophobicContact CD1-CD2 3.3Å; L664-W673 HydrophobicContact CD1-CE3 3.87Å; L664-W673 HydrophobicContact CD1-CG 3.52Å; L664-W673 HydrophobicContact CD1-CH2 4.32Å; L664-W673 HydrophobicContact CD1-CZ2 3.82Å; L664-W673 HydrophobicContact CD1-CZ3 4.34Å
665D91.7Very high89.9Confident25 Ų2547.5 Ų47.513%0.13423%0.233CC..Hα-helixtrans-59.2-48.3175.6-77.63.7000111.8H88 P661 Y662 L663 T668 K669H88-D665 IonicContact CD2-OD1 3.39Å; H88-D665 PolarHBondContact CD2-OD1 2.92Å; H88-D665 IonicContact CE1-OD1 2.71Å; H88-D665 IonicContact NE2-OD1 3.26Å; H88-D665 PolarHBondContact NE2-OD1 3.31Å; P661-D665 VanDerWaalsContact O-CG 3.29Å; P661-D665 PolarHBondContact O-N 2.9Å; Y662-D665 PolarHBondContact O-N 2.83Å; L663-D665 VanDerWaalsContact C-N 3.33Å; L663-D665 PolarHBondContact O-N 3.11Å; D665-T668 PolarHBondContact O-N 3.41Å; D665-K669 WeakPolarHBondContact O-CB 3.41Å; D665-K669 VanDerWaalsContact O-CG 3.22Å; D665-K669 WeakPolarHBondContact O-CG 3.4Å; D665-K669 PolarHBondContact O-N 3.02Å
666D94.8Very high90.7Very high20 Ų2047.1 Ų47.111%0.10723%0.231CC..Hα-helixtrans-63.3-48.4-179.5-79.3-7.5000111.6R533 Y662 L663 T668 K669 L670 L698 Y702R533-D666 IonicContact CZ-OD1 3.67Å; R533-D666 IonicContact CZ-OD2 3.62Å; R533-D666 VanDerWaalsContact CZ-OD2 3.25Å; R533-D666 VanDerWaalsContact NH1-CG 3.32Å; R533-D666 IonicContact NH1-OD1 2.73Å; R533-D666 PolarHBondContact NH1-OD1 2.92Å; R533-D666 VanDerWaalsContact NH1-OD1 3.14Å; R533-D666 IonicContact NH1-OD2 2.81Å; R533-D666 PolarHBondContact NH1-OD2 2.9Å; R533-D666 IonicContact NH2-OD1 3.62Å; R533-D666 IonicContact NH2-OD2 2.82Å; R533-D666 PolarHBondContact NH2-OD2 3.18Å; Y662-D666 PolarHBondContact O-N 2.87Å; Y662-D666 VanDerWaalsContact O-N 3.09Å; L663-D666 PolarHBondContact O-N 3.02Å; D666-T668 VanDerWaalsContact C-N 3.31Å; D666-T668 PolarHBondContact O-N 3.1Å; D666-K669 PolarHBondContact O-N 3.48Å; D666-L670 WeakPolarHBondContact O-CB 3.46Å; D666-L670 VanDerWaalsContact O-CG 3.28Å; D666-L670 WeakPolarHBondContact O-CG 3.38Å; D666-L670 PolarHBondContact O-N 2.99Å; D666-L698 HydrophobicContact CB-CD1 4.12Å; D666-L698 HydrophobicContact CB-CD2 4.37Å; D666-L698 WeakPolarHBondContact OD2-CD2 3.48Å; D666-Y702 VanDerWaalsContact CG-OH 3.3Å; D666-Y702 WeakPolarHBondContact OD2-CE2 3.44Å; D666-Y702 PolarHBondContact OD2-OH 3.45Å
667L95Very high91.2Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-67-33.4180-67176.3000112L663 E671 L672 W673 L677 I694 L698L663-L667 HydrophobicContact CD1-CD1 3.7Å; L663-L667 HydrophobicContact CD1-CG 3.89Å; L663-L667 HydrophobicContact CD2-CD1 4.3Å; L663-L667 HydrophobicContact CG-CD1 3.74Å; L663-L667 HydrophobicContact CG-CG 4.26Å; L663-L667 WeakPolarHBondContact O-CB 3.24Å; L663-L667 VanDerWaalsContact O-CG 3.32Å; L663-L667 WeakPolarHBondContact O-CG 3.26Å; L663-L667 PolarHBondContact O-N 3.24Å; L667-E671 PolarHBondContact O-N 2.8Å; L667-L672 HydrophobicContact CD2-CB 4.19Å; L667-L672 HydrophobicContact CD2-CD1 4.23Å; L667-L672 PolarHBondContact O-N 3.18Å; L667-W673 HydrophobicContact CB-CB 4.17Å; L667-W673 HydrophobicContact CB-CE3 4.26Å; L667-W673 HydrophobicContact CD1-CE3 3.75Å; L667-W673 HydrophobicContact CD1-CZ3 4.03Å; L667-W673 PolarHBondContact O-N 2.97Å; L667-L677 HydrophobicContact CD1-CD2 3.85Å; L667-L677 HydrophobicContact CD2-CD2 4.26Å; L667-I694 HydrophobicContact CD2-CG1 4.44Å; L667-I694 HydrophobicContact CD2-CG2 4.38Å; L667-L698 HydrophobicContact CD2-CD1 4.17Å
668T92.7Very high91.6Very high20 Ų2044 Ų4412%0.12322%0.216CC..Hα-helixtrans-69.5-43.9175.9-57.90000110.9Y49 L664 D665 D666 L670 E671Y49-T668 HydrophobicContact CD1-CG2 4.18Å; Y49-T668 HydrophobicContact CE1-CG2 3.45Å; Y49-T668 VanDerWaalsContact CE1-CG2 3.45Å; L664-T668 WeakPolarHBondContact O-CB 3.48Å; L664-T668 PolarHBondContact O-N 3.42Å; L664-T668 PolarHBondContact O-OG1 3.06Å; D665-T668 PolarHBondContact O-N 3.41Å; D666-T668 VanDerWaalsContact C-N 3.31Å; D666-T668 PolarHBondContact O-N 3.1Å; T668-L670 PolarHBondContact O-N 2.79Å; T668-E671 PolarHBondContact O-N 2.99Å
669K91.7Very high91.9Very high134 Ų13444.7 Ų44.758%0.58322%0.221SC*.Hα-helixtrans-62.8-30.9176.5-74.4169.1-173.5170.80113.2D665 D666 E671D665-K669 WeakPolarHBondContact O-CB 3.41Å; D665-K669 VanDerWaalsContact O-CG 3.22Å; D665-K669 WeakPolarHBondContact O-CG 3.4Å; D665-K669 PolarHBondContact O-N 3.02Å; D666-K669 PolarHBondContact O-N 3.48Å; K669-E671 VanDerWaalsContact C-N 3.27Å
670L93.8Very high91.9Very high84 Ų8444.6 Ų44.644%0.4422%0.221SC..THydrogen-bonded Turntrans-85.51.9175.5-65.7171.5000113D666 T668 L672 P695 L698D666-L670 WeakPolarHBondContact O-CB 3.46Å; D666-L670 VanDerWaalsContact O-CG 3.28Å; D666-L670 WeakPolarHBondContact O-CG 3.38Å; D666-L670 PolarHBondContact O-N 2.99Å; T668-L670 PolarHBondContact O-N 2.79Å; L670-L672 HydrophobicContact CB-CD1 3.89Å; L670-L672 HydrophobicContact CB-CG 3.87Å; L670-L672 HydrophobicContact CD1-CD1 4.17Å; L670-L672 PolarHBondContact O-N 3.13Å; L670-P695 HydrophobicContact CD1-CG 4.01Å; L670-L698 HydrophobicContact CD1-CD1 3.86Å
671E93.2Very high91.9Very high182 Ų18244.4 Ų44.485%0.8522%0.22SC*.THydrogen-bonded Turntrans57.727.4-176.7-54.6-177163.300113.5L667 T668 K669L667-E671 PolarHBondContact O-N 2.8Å; T668-E671 PolarHBondContact O-N 2.99Å; K669-E671 VanDerWaalsContact C-N 3.27Å
672L94Very high91.7Very high62 Ų6243.9 Ų43.933%0.32522%0.216SC..  trans-96.9-20.4-179.9-63.2177.9000113L667 L670 S674 L677 P695L667-L672 HydrophobicContact CD2-CB 4.19Å; L667-L672 HydrophobicContact CD2-CD1 4.23Å; L667-L672 PolarHBondContact O-N 3.18Å; L670-L672 HydrophobicContact CB-CD1 3.89Å; L670-L672 HydrophobicContact CB-CG 3.87Å; L670-L672 HydrophobicContact CD1-CD1 4.17Å; L670-L672 PolarHBondContact O-N 3.13Å; L672-S674 PolarHBondContact O-N 2.89Å; L672-L677 HydrophobicContact CB-CD2 4.43Å; L672-L677 VanDerWaalsContact O-CD2 3.25Å; L672-L677 WeakPolarHBondContact O-CD2 3.49Å; L672-P695 HydrophobicContact CD1-CG 4.05Å
673W93.6Very high91.3Very high39 Ų3943.4 Ų43.415%0.14822%0.216CC..  trans-66.8125.1-177-173.1-111.4000112.1T85 K86 V659 L664 L667 L677 K678 I681T85-W673 VanDerWaalsContact O-CZ2 3.3Å; T85-W673 WeakPolarHBondContact O-CZ2 3.08Å; T85-W673 PolarHBondContact O-NE1 3.22Å; T85-W673 VanDerWaalsContact O-NE1 3.11Å; K86-W673 PolarHBondContact O-NE1 2.97Å; V659-W673 HydrophobicContact CB-CH2 4.32Å; V659-W673 HydrophobicContact CG1-CH2 3.71Å; V659-W673 HydrophobicContact CG1-CZ2 4.37Å; V659-W673 HydrophobicContact CG1-CZ3 4.15Å; V659-W673 HydrophobicContact CG2-CH2 3.69Å; V659-W673 HydrophobicContact CG2-CZ2 3.8Å; L664-W673 HydrophobicContact CD1-CB 4.4Å; L664-W673 HydrophobicContact CD1-CD2 3.3Å; L664-W673 HydrophobicContact CD1-CE3 3.87Å; L664-W673 HydrophobicContact CD1-CG 3.52Å; L664-W673 HydrophobicContact CD1-CH2 4.32Å; L664-W673 HydrophobicContact CD1-CZ2 3.82Å; L664-W673 HydrophobicContact CD1-CZ3 4.34Å; L667-W673 HydrophobicContact CB-CB 4.17Å; L667-W673 HydrophobicContact CB-CE3 4.26Å; L667-W673 HydrophobicContact CD1-CE3 3.75Å; L667-W673 HydrophobicContact CD1-CZ3 4.03Å; L667-W673 PolarHBondContact O-N 2.97Å; W673-L677 HydrophobicContact CE3-CD2 4.42Å; W673-K678 HydrophobicContact CH2-CB 3.6Å; W673-K678 HydrophobicContact CH2-CG 4Å; W673-K678 HydrophobicContact CZ2-CB 3.7Å; W673-K678 HydrophobicContact CZ2-CD 4.1Å; W673-K678 HydrophobicContact CZ2-CG 4.04Å; W673-K678 HydrophobicContact CZ3-CB 4.37Å; W673-I681 HydrophobicContact CH2-CD1 4.47Å; W673-I681 HydrophobicContact CZ3-CD1 3.86Å
674S90.6Very high91Very high40 Ų4045.3 Ų45.328%0.2823%0.226SC..  trans-150.6162.2-17957.80000110.6L672 E676 L677 K678L672-S674 PolarHBondContact O-N 2.89Å; S674-E676 WeakPolarHBondContact CB-OE2 3.48Å; S674-E676 PolarHBondContact O-N 2.63Å; S674-L677 PolarHBondContact O-N 3.34Å; S674-L677 VanDerWaalsContact OG-CB 3.27Å; S674-L677 WeakPolarHBondContact OG-CB 3.1Å; S674-L677 PolarHBondContact OG-N 3Å; S674-L677 VanDerWaalsContact OG-N 3.11Å; S674-K678 WeakPolarHBondContact O-CB 3.48Å; S674-K678 PolarHBondContact O-N 3.28Å
675E86.5Confident90.6Very high78 Ų7848.2 Ų48.236%0.36424%0.24SC..Hα-helixtrans-66-30.7175.1-72.1-65.6153.200111.1K678 T679E675-K678 IonicContact OE1-NZ 2.64Å; E675-K678 WeakPolarHBondContact OE2-CD 3.44Å; E675-K678 IonicContact OE2-NZ 3.87Å; E675-K678 PolarHBondContact OE2-NZ 2.68Å; E675-T679 VanDerWaalsContact O-CB 3.24Å; E675-T679 WeakPolarHBondContact O-CB 3.47Å; E675-T679 PolarHBondContact O-N 3.34Å; E675-T679 PolarHBondContact O-OG1 2.76Å
676E89.6Confident90.6Very high100 Ų10047 Ų4747%0.46723%0.233SC..Hα-helixtrans-63.3-47.1173.1-64.171.5-158.100110.9S674 T679 A680 I778S674-E676 WeakPolarHBondContact CB-OE2 3.48Å; S674-E676 PolarHBondContact O-N 2.63Å; E676-T679 WeakPolarHBondContact O-CB 3.42Å; E676-T679 PolarHBondContact O-N 2.98Å; E676-A680 PolarHBondContact O-N 2.99Å; E676-I778 HydrophobicContact CB-CG2 3.93Å; E676-I778 HydrophobicContact CG-CD1 4.46Å; E676-I778 HydrophobicContact CG-CG2 4.24Å
677L90.8Very high90.5Very high12 Ų1246.4 Ų46.46%0.06323%0.23CC..Hα-helixtrans-65.3-45.3178.4-175.158.7000111.7L667 L672 W673 S674 T679 A680 I681 I691 I694L667-L677 HydrophobicContact CD1-CD2 3.85Å; L667-L677 HydrophobicContact CD2-CD2 4.26Å; L672-L677 HydrophobicContact CB-CD2 4.43Å; L672-L677 VanDerWaalsContact O-CD2 3.25Å; L672-L677 WeakPolarHBondContact O-CD2 3.49Å; W673-L677 HydrophobicContact CE3-CD2 4.42Å; S674-L677 PolarHBondContact O-N 3.34Å; S674-L677 VanDerWaalsContact OG-CB 3.27Å; S674-L677 WeakPolarHBondContact OG-CB 3.1Å; S674-L677 PolarHBondContact OG-N 3Å; S674-L677 VanDerWaalsContact OG-N 3.11Å; L677-T679 VanDerWaalsContact C-N 3.26Å; L677-T679 PolarHBondContact O-N 2.76Å; L677-A680 WeakPolarHBondContact O-CB 3.48Å; L677-A680 PolarHBondContact O-N 3.35Å; L677-A680 VanDerWaalsContact O-N 3.15Å; L677-I681 HydrophobicContact CG-CD1 4.36Å; L677-I681 WeakPolarHBondContact O-CG1 3.36Å; L677-I681 PolarHBondContact O-N 2.87Å; L677-I691 HydrophobicContact CD1-CG2 3.68Å; L677-I694 HydrophobicContact CD1-CD1 4.03Å; L677-I694 HydrophobicContact CD1-CG1 4.1Å
678K89.7Confident90.6Very high20 Ų2046.4 Ų46.49%0.08723%0.23CC..Hα-helixtrans-54.4-45.9172.7174.6-174.7155-160.50111.5T85 Q657 W673 S674 E675 A680 I681 V682T85-K678 VanDerWaalsContact CB-NZ 3.28Å; T85-K678 HydrophobicContact CG2-CD 4.42Å; T85-K678 PolarHBondContact OG1-NZ 2.97Å; Q657-K678 VanDerWaalsContact OE1-CE 3.25Å; W673-K678 HydrophobicContact CH2-CB 3.6Å; W673-K678 HydrophobicContact CH2-CG 4Å; W673-K678 HydrophobicContact CZ2-CB 3.7Å; W673-K678 HydrophobicContact CZ2-CD 4.1Å; W673-K678 HydrophobicContact CZ2-CG 4.04Å; W673-K678 HydrophobicContact CZ3-CB 4.37Å; S674-K678 WeakPolarHBondContact O-CB 3.48Å; S674-K678 PolarHBondContact O-N 3.28Å; E675-K678 IonicContact OE1-NZ 2.64Å; E675-K678 WeakPolarHBondContact OE2-CD 3.44Å; E675-K678 IonicContact OE2-NZ 3.87Å; E675-K678 PolarHBondContact OE2-NZ 2.68Å; K678-A680 VanDerWaalsContact C-N 3.34Å; K678-A680 PolarHBondContact O-N 3.44Å; K678-I681 PolarHBondContact O-N 2.77Å; K678-V682 WeakPolarHBondContact O-CG2 3.42Å; K678-V682 PolarHBondContact O-N 3.48Å
679T87.6Confident90.7Very high31 Ų3147.1 Ų47.119%0.1923%0.232CC..Hα-helixtrans-61.1-43.8178.2-64.10000110.9E675 E676 L677 I681 V682 L683 V774 I778E675-T679 VanDerWaalsContact O-CB 3.24Å; E675-T679 WeakPolarHBondContact O-CB 3.47Å; E675-T679 PolarHBondContact O-N 3.34Å; E675-T679 PolarHBondContact O-OG1 2.76Å; E676-T679 WeakPolarHBondContact O-CB 3.42Å; E676-T679 PolarHBondContact O-N 2.98Å; L677-T679 VanDerWaalsContact C-N 3.26Å; L677-T679 PolarHBondContact O-N 2.76Å; T679-I681 VanDerWaalsContact C-N 3.34Å; T679-I681 PolarHBondContact O-N 3.38Å; T679-V682 PolarHBondContact O-N 3.38Å; T679-L683 HydrophobicContact CG2-CD1 3.88Å; T679-L683 WeakPolarHBondContact O-CB 3.49Å; T679-L683 WeakPolarHBondContact O-CD1 3.15Å; T679-L683 VanDerWaalsContact O-CG 3.31Å; T679-L683 WeakPolarHBondContact O-CG 3.19Å; T679-L683 PolarHBondContact O-N 3.32Å; T679-V774 HydrophobicContact CG2-CG1 3.33Å; T679-I778 HydrophobicContact CG2-CD1 4.39Å
680A90.3Very high90.7Very high2 Ų247 Ų472%0.01723%0.233CC..Hα-helixtrans-60-40173.800000112.6E676 L677 K678 L683 N684 I691 L782E676-A680 PolarHBondContact O-N 2.99Å; L677-A680 WeakPolarHBondContact O-CB 3.48Å; L677-A680 PolarHBondContact O-N 3.35Å; L677-A680 VanDerWaalsContact O-N 3.15Å; K678-A680 VanDerWaalsContact C-N 3.34Å; K678-A680 PolarHBondContact O-N 3.44Å; A680-L683 WeakPolarHBondContact O-CB 3.3Å; A680-L683 PolarHBondContact O-N 3.29Å; A680-N684 WeakPolarHBondContact O-CB 3.45Å; A680-N684 PolarHBondContact O-N 3.13Å; A680-N684 PolarHBondContact O-ND2 2.99Å; A680-I691 HydrophobicContact CB-CD1 4.05Å; A680-I691 HydrophobicContact CB-CG1 4.48Å; A680-I691 HydrophobicContact CB-CG2 4.38Å; A680-L782 HydrophobicContact CB-CD1 3.97Å
681I91.3Very high90.6Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-65.7-43.5176.4-60.7166000111.3V646 L663 W673 L677 K678 T679 L683 N684 Q685 G686 I688 I691V646-I681 HydrophobicContact CB-CG2 4.16Å; V646-I681 HydrophobicContact CG2-CB 4.1Å; V646-I681 HydrophobicContact CG2-CG2 3.46Å; V646-I681 VanDerWaalsContact CG2-CG2 3.46Å; L663-I681 HydrophobicContact CD2-CD1 4.3Å; W673-I681 HydrophobicContact CH2-CD1 4.47Å; W673-I681 HydrophobicContact CZ3-CD1 3.86Å; L677-I681 HydrophobicContact CG-CD1 4.36Å; L677-I681 WeakPolarHBondContact O-CG1 3.36Å; L677-I681 PolarHBondContact O-N 2.87Å; K678-I681 PolarHBondContact O-N 2.77Å; T679-I681 VanDerWaalsContact C-N 3.34Å; T679-I681 PolarHBondContact O-N 3.38Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.11Å; I681-N684 CarbonylContact O-C 3.22Å; I681-N684 PolarHBondContact O-N 2.98Å; I681-Q685 PolarHBondContact O-N 3.33Å; I681-G686 PolarHBondContact O-N 2.65Å; I681-I688 HydrophobicContact CD1-CG2 4.15Å; I681-I688 HydrophobicContact CG1-CG2 4.09Å; I681-I691 HydrophobicContact CB-CD1 4.19Å; I681-I691 HydrophobicContact CG1-CD1 3.47Å; I681-I691 VanDerWaalsContact CG1-CD1 3.47Å
682V87.2Confident90.4Very high35 Ų3538.3 Ų38.321%0.21219%0.193CC..Hα-helixtrans-61.8-38.4175.4172.20000111.3V646 K678 T679 N684 Q685 K771V646-V682 HydrophobicContact CB-CG2 4.35Å; V646-V682 HydrophobicContact CG1-CG2 3.71Å; K678-V682 WeakPolarHBondContact O-CG2 3.42Å; K678-V682 PolarHBondContact O-N 3.48Å; T679-V682 PolarHBondContact O-N 3.38Å; V682-N684 VanDerWaalsContact C-N 3.34Å; V682-Q685 PolarHBondContact O-N 3.28Å; V682-Q685 VanDerWaalsContact O-N 3.15Å; V682-K771 PolarHBondContact O-NZ 2.88Å
683L85Confident90.1Very high27 Ų2738.5 Ų38.514%0.14121%0.21CC..Hα-helixtrans-64.9-39.7175.6-75.9156.9000112T679 A680 I681 Q685 K771 V774 L779T679-L683 HydrophobicContact CG2-CD1 3.88Å; T679-L683 WeakPolarHBondContact O-CB 3.49Å; T679-L683 WeakPolarHBondContact O-CD1 3.15Å; T679-L683 VanDerWaalsContact O-CG 3.31Å; T679-L683 WeakPolarHBondContact O-CG 3.19Å; T679-L683 PolarHBondContact O-N 3.32Å; A680-L683 WeakPolarHBondContact O-CB 3.3Å; A680-L683 PolarHBondContact O-N 3.29Å; I681-L683 VanDerWaalsContact C-N 3.28Å; I681-L683 PolarHBondContact O-N 3.11Å; L683-Q685 PolarHBondContact O-N 2.82Å; L683-K771 HydrophobicContact CD2-CD 3.98Å; L683-K771 PolarHBondContact O-NZ 3.13Å; L683-V774 HydrophobicContact CD1-CG1 3.45Å; L683-V774 VanDerWaalsContact CD1-CG1 3.45Å; L683-V774 HydrophobicContact CD2-CB 4.16Å; L683-V774 HydrophobicContact CD2-CG1 3.58Å; L683-V774 HydrophobicContact CG-CG1 3.59Å; L683-L779 HydrophobicContact CB-CD1 4.09Å; L683-L779 HydrophobicContact CD1-CD1 3.24Å; L683-L779 HydrophobicContact CD1-CG 4.17Å; L683-L779 HydrophobicContact CD2-CD1 3.79Å; L683-L779 HydrophobicContact CG-CD1 3.87Å
684N88.5Confident90.1Very high39 Ų3937 Ų3721%0.20921%0.205CC..THydrogen-bonded Turntrans-81.719.2173.3-73.1-77.9000113.6A680 I681 V682 G686 S687A680-N684 WeakPolarHBondContact O-CB 3.45Å; A680-N684 PolarHBondContact O-N 3.13Å; A680-N684 PolarHBondContact O-ND2 2.99Å; I681-N684 CarbonylContact O-C 3.22Å; I681-N684 PolarHBondContact O-N 2.98Å; V682-N684 VanDerWaalsContact C-N 3.34Å; N684-G686 PolarHBondContact O-N 3.16Å; N684-S687 WeakPolarHBondContact CB-O 3.28Å; N684-S687 WeakPolarHBondContact O-CB 3.28Å; N684-S687 PolarHBondContact O-N 3.1Å
685Q85.9Confident90.3Very high63 Ų6336.6 Ų36.629%0.29420%0.201SC..THydrogen-bonded Turntrans56.335.2175.3-52.2-175.5300113.5I681 V682 L683 S687 D768I681-Q685 PolarHBondContact O-N 3.33Å; V682-Q685 PolarHBondContact O-N 3.28Å; V682-Q685 VanDerWaalsContact O-N 3.15Å; L683-Q685 PolarHBondContact O-N 2.82Å; Q685-S687 VanDerWaalsContact C-N 3.35Å; Q685-D768 VanDerWaalsContact NE2-CG 3.26Å; Q685-D768 PolarHBondContact NE2-OD1 2.99Å; Q685-D768 PolarHBondContact NE2-OD2 2.73Å
686G90.7Very high90.6Very high0 Ų041.3 Ų41.30%022%0.22CC..THydrogen-bonded Turntrans87.7-2.4-177.900000115.1S644 N645 I681 N684S644-G686 WeakPolarHBondContact OG-CA 3.42Å; N645-G686 VanDerWaalsContact CB-O 3.23Å; N645-G686 WeakPolarHBondContact CB-O 3.31Å; N645-G686 PolarHBondContact N-O 3.43Å; N645-G686 PolarHBondContact ND2-O 3.18Å; I681-G686 PolarHBondContact O-N 2.65Å; N684-G686 PolarHBondContact O-N 3.16Å
687S93.9Very high90.8Very high6 Ų642.8 Ų42.84%0.04223%0.227CC..  trans-77.1144.2172.9-1800000111.4N684 Q685 Q689 E707N684-S687 WeakPolarHBondContact CB-O 3.28Å; N684-S687 WeakPolarHBondContact O-CB 3.28Å; N684-S687 PolarHBondContact O-N 3.1Å; Q685-S687 VanDerWaalsContact C-N 3.35Å; S687-Q689 PolarHBondContact OG-N 2.99Å; S687-Q689 VanDerWaalsContact OG-N 3.1Å; S687-E707 WeakPolarHBondContact CB-OE1 3.44Å; S687-E707 PolarHBondContact OG-OE1 3.44Å
688I95.4Very high91Very high0 Ų042.4 Ų42.40%023%0.226CC..  trans-109.8-1.516866.3156000113L663 I681 H690 I691 I694 K699 Y702L663-I688 HydrophobicContact CD1-CD1 4.1Å; L663-I688 HydrophobicContact CD1-CG2 4.45Å; L663-I688 HydrophobicContact CD2-CG2 3.73Å; I681-I688 HydrophobicContact CD1-CG2 4.15Å; I681-I688 HydrophobicContact CG1-CG2 4.09Å; I688-H690 VanDerWaalsContact C-N 3.32Å; I688-H690 PolarHBondContact O-N 2.63Å; I688-I691 PolarHBondContact O-N 3.24Å; I688-I694 HydrophobicContact CB-CD1 3.74Å; I688-I694 HydrophobicContact CD1-CG2 4.19Å; I688-I694 HydrophobicContact CG2-CD1 4Å; I688-K699 HydrophobicContact CD1-CG 4.46Å; I688-Y702 HydrophobicContact CD1-CD2 4.04Å; I688-Y702 HydrophobicContact CD1-CG 4.3Å
689Q95.3Very high91.4Very high35 Ų3543.1 Ų43.116%0.16423%0.229CC..THydrogen-bonded Turntrans-67-35.7-167.7-54.4-54.3-44.200112S687 K699 E707S687-Q689 PolarHBondContact OG-N 2.99Å; S687-Q689 VanDerWaalsContact OG-N 3.1Å; Q689-K699 PolarHBondContact NE2-O 3.12Å; Q689-K699 WeakPolarHBondContact O-CD 3.08Å; Q689-K699 WeakPolarHBondContact O-CE 3.18Å; Q689-K699 PolarHBondContact O-NZ 3.44Å; Q689-K699 PolarHBondContact OE1-O 3Å; Q689-E707 HydrophobicContact CG-CG 4.22Å; Q689-E707 VanDerWaalsContact CG-OE1 3.29Å; Q689-E707 WeakPolarHBondContact CG-OE1 3.32Å; Q689-E707 WeakPolarHBondContact CG-OE2 3.48Å; Q689-E707 PolarHBondContact NE2-OE2 3.32Å
690H91.7Very high91.8Very high131 Ų13144 Ų4461%0.60623%0.234SC*.THydrogen-bonded Turntrans-104.913.3-174.3-53.2-62.6000113.8I688I688-H690 VanDerWaalsContact C-N 3.32Å; I688-H690 PolarHBondContact O-N 2.63Å
691I91.7Very high92.1Very high0 Ų044.4 Ų44.40%024%0.237CC..  trans-93.8126.2176.8-57.9177000108.6L677 A680 I681 I688 I694 K699L677-I691 HydrophobicContact CD1-CG2 3.68Å; A680-I691 HydrophobicContact CB-CD1 4.05Å; A680-I691 HydrophobicContact CB-CG1 4.48Å; A680-I691 HydrophobicContact CB-CG2 4.38Å; I681-I691 HydrophobicContact CB-CD1 4.19Å; I681-I691 HydrophobicContact CG1-CD1 3.47Å; I681-I691 VanDerWaalsContact CG1-CD1 3.47Å; I688-I691 PolarHBondContact O-N 3.24Å; I691-I694 HydrophobicContact CB-CD1 3.95Å; I691-I694 HydrophobicContact CB-CG1 4.45Å; I691-I694 HydrophobicContact CD1-CD1 4.35Å; I691-I694 HydrophobicContact CG2-CD1 4Å; I691-I694 HydrophobicContact CG2-CG1 4.19Å; I691-K699 WeakPolarHBondContact O-CE 3.5Å; I691-K699 PolarHBondContact O-NZ 3.42Å
692D88.2Confident92.4Very high85 Ų8544.4 Ų44.446%0.45524%0.237SC..THydrogen-bonded Turntrans-75.8150.9174.4-64.1-37.4000110.9I694 L782D692-I694 VanDerWaalsContact C-N 3.3Å; D692-I694 PolarHBondContact O-N 3.38Å; D692-L782 WeakPolarHBondContact CB-O 3.34Å; D692-L782 PolarHBondContact N-O 3.43Å
693G88.5Confident92.9Very high65 Ų6545.1 Ų45.167%0.6724%0.237SC*.THydrogen-bonded Turntrans86.8-17.9-176.800000115.3
694I93.5Very high93.4Very high8 Ų843.8 Ų43.84%0.04123%0.23CC..SBendtrans-78.8127.5170.3-59.8179.3000109.7L667 L677 I688 I691 D692 L698L667-I694 HydrophobicContact CD2-CG1 4.44Å; L667-I694 HydrophobicContact CD2-CG2 4.38Å; L677-I694 HydrophobicContact CD1-CD1 4.03Å; L677-I694 HydrophobicContact CD1-CG1 4.1Å; I688-I694 HydrophobicContact CB-CD1 3.74Å; I688-I694 HydrophobicContact CD1-CG2 4.19Å; I688-I694 HydrophobicContact CG2-CD1 4Å; I691-I694 HydrophobicContact CB-CD1 3.95Å; I691-I694 HydrophobicContact CB-CG1 4.45Å; I691-I694 HydrophobicContact CD1-CD1 4.35Å; I691-I694 HydrophobicContact CG2-CD1 4Å; I691-I694 HydrophobicContact CG2-CG1 4.19Å; D692-I694 VanDerWaalsContact C-N 3.3Å; D692-I694 PolarHBondContact O-N 3.38Å; I694-L698 HydrophobicContact CG2-CB 4.26Å; I694-L698 HydrophobicContact CG2-CD1 4.48Å
695P94.3Very high93.7Very high31 Ų3142 Ų4220%0.20122%0.22CC..  trans-56.2141.9179.4-24.532.4000113.4L670 L672 E697 L698L670-P695 HydrophobicContact CD1-CG 4.01Å; L672-P695 HydrophobicContact CD1-CG 4.05Å; P695-E697 HydrophobicContact CB-CG 4.33Å; P695-E697 WeakPolarHBondContact CB-OE1 3.17Å; P695-E697 WeakPolarHBondContact CB-OE2 3.35Å; P695-E697 PolarHBondContact O-N 3.34Å; P695-L698 HydrophobicContact CB-CG 4.49Å; P695-L698 PolarHBondContact O-N 3.46Å; P695-L698 VanDerWaalsContact O-N 3.16Å
696K94.1Very high94.1Very high177 Ų17740.4 Ų40.477%0.7721%0.212SC*.THydrogen-bonded Turntrans-65.2-27.7-172.2-70.1-175.9178.9179.40112.6L698 K699 P700K696-L698 VanDerWaalsContact C-N 3.34Å; K696-K699 PolarHBondContact O-N 3.06Å; K696-P700 WeakPolarHBondContact O-CD 3.41Å
697E93.4Very high94.3Very high131 Ų13142 Ų4261%0.61222%0.219SC*.THydrogen-bonded Turntrans-70.7-25.9178.266.6-84.3-161.500113.5P695P695-E697 HydrophobicContact CB-CG 4.33Å; P695-E697 WeakPolarHBondContact CB-OE1 3.17Å; P695-E697 WeakPolarHBondContact CB-OE2 3.35Å; P695-E697 PolarHBondContact O-N 3.34Å
698L95.5Very high94.3Very high5 Ų541.8 Ų41.83%0.02622%0.217CC..Hα-helixtrans-79.5-28.9176.1-62.5-171.6000111.9R533 D666 L667 L670 I694 P695 K696 L701 Y702R533-L698 VanDerWaalsContact NH2-CD2 3.28Å; D666-L698 HydrophobicContact CB-CD1 4.12Å; D666-L698 HydrophobicContact CB-CD2 4.37Å; D666-L698 WeakPolarHBondContact OD2-CD2 3.48Å; L667-L698 HydrophobicContact CD2-CD1 4.17Å; L670-L698 HydrophobicContact CD1-CD1 3.86Å; I694-L698 HydrophobicContact CG2-CB 4.26Å; I694-L698 HydrophobicContact CG2-CD1 4.48Å; P695-L698 HydrophobicContact CB-CG 4.49Å; P695-L698 PolarHBondContact O-N 3.46Å; P695-L698 VanDerWaalsContact O-N 3.16Å; K696-L698 VanDerWaalsContact C-N 3.34Å; L698-L701 WeakPolarHBondContact O-CB 3.3Å; L698-L701 PolarHBondContact O-N 3.44Å; L698-L701 VanDerWaalsContact O-N 3.09Å; L698-Y702 HydrophobicContact CB-CD2 4.19Å; L698-Y702 HydrophobicContact CB-CE2 4.3Å; L698-Y702 HydrophobicContact CD2-CE2 4.26Å; L698-Y702 VanDerWaalsContact O-CD2 3.29Å; L698-Y702 WeakPolarHBondContact O-CD2 3.32Å; L698-Y702 PolarHBondContact O-N 3.48Å
699K96.9Very high94.3Very high35 Ų3543.3 Ų43.315%0.15223%0.228CC..Hα-helixtrans-56.4-49.1-175.7-69.6-173.1176.4-164.10112.7I688 Q689 I691 K696 L701 K703I688-K699 HydrophobicContact CD1-CG 4.46Å; Q689-K699 PolarHBondContact NE2-O 3.12Å; Q689-K699 WeakPolarHBondContact O-CD 3.08Å; Q689-K699 WeakPolarHBondContact O-CE 3.18Å; Q689-K699 PolarHBondContact O-NZ 3.44Å; Q689-K699 PolarHBondContact OE1-O 3Å; I691-K699 WeakPolarHBondContact O-CE 3.5Å; I691-K699 PolarHBondContact O-NZ 3.42Å; K696-K699 PolarHBondContact O-N 3.06Å; K699-L701 VanDerWaalsContact C-N 3.34Å; K699-L701 PolarHBondContact O-N 3.35Å; K699-K703 PolarHBondContact O-N 3.49Å
700P96.7Very high94.2Very high48 Ų4842 Ų4231%0.31222%0.222SC..Hα-helixtrans-60.2-38.5174-25.934.7000114.3P535 K696 Y702 K703P535-P700 HydrophobicContact CB-CB 4.08Å; P535-P700 HydrophobicContact CG-CB 3.83Å; K696-P700 WeakPolarHBondContact O-CD 3.41Å; P700-Y702 VanDerWaalsContact C-N 3.33Å; P700-Y702 PolarHBondContact O-N 3.1Å; P700-K703 PolarHBondContact O-N 3.36Å
701L96.6Very high94.4Very high12 Ų1238.2 Ų38.26%0.06320%0.204CC..Hα-helixtrans-66.5-35.8-174.4-172.262.6000112.6L698 K699L698-L701 WeakPolarHBondContact O-CB 3.3Å; L698-L701 PolarHBondContact O-N 3.44Å; L698-L701 VanDerWaalsContact O-N 3.09Å; K699-L701 VanDerWaalsContact C-N 3.34Å; K699-L701 PolarHBondContact O-N 3.35Å
702Y97.2Very high94.7Very high0 Ų042.6 Ų42.60%022%0.223CC..THydrogen-bonded Turntrans-106.826.5-176.3-59.4-69.6000113.3C530 N645 Y662 L663 D666 I688 L698 P700 T704C530-Y702 WeakPolarHBondContact SG-CE1 3.18Å; N645-Y702 PolarHBondContact ND2-O 3.34Å; Y662-Y702 PolarHBondContact O-OH 3.18Å; Y662-Y702 VanDerWaalsContact O-OH 3.05Å; L663-Y702 VanDerWaalsContact CA-CZ 3.5Å; L663-Y702 HydrophobicContact CB-CD1 3.86Å; L663-Y702 HydrophobicContact CB-CD2 4.4Å; L663-Y702 HydrophobicContact CB-CE1 3.76Å; L663-Y702 HydrophobicContact CB-CE2 4.3Å; L663-Y702 HydrophobicContact CB-CG 4.19Å; L663-Y702 HydrophobicContact CD1-CD1 4.4Å; L663-Y702 HydrophobicContact CD1-CD2 3.5Å; L663-Y702 VanDerWaalsContact CD1-CD2 3.5Å; L663-Y702 HydrophobicContact CD1-CE2 3.71Å; L663-Y702 HydrophobicContact CD1-CG 3.88Å; L663-Y702 PolarHBondContact N-OH 2.96Å; D666-Y702 VanDerWaalsContact CG-OH 3.3Å; D666-Y702 WeakPolarHBondContact OD2-CE2 3.44Å; D666-Y702 PolarHBondContact OD2-OH 3.45Å; I688-Y702 HydrophobicContact CD1-CD2 4.04Å; I688-Y702 HydrophobicContact CD1-CG 4.3Å; L698-Y702 HydrophobicContact CB-CD2 4.19Å; L698-Y702 HydrophobicContact CB-CE2 4.3Å; L698-Y702 HydrophobicContact CD2-CE2 4.26Å; L698-Y702 VanDerWaalsContact O-CD2 3.29Å; L698-Y702 WeakPolarHBondContact O-CD2 3.32Å; L698-Y702 PolarHBondContact O-N 3.48Å; P700-Y702 VanDerWaalsContact C-N 3.33Å; P700-Y702 PolarHBondContact O-N 3.1Å; Y702-T704 PolarHBondContact O-N 2.94Å
703K97.4Very high95.1Very high49 Ų4939.2 Ų39.221%0.21320%0.204CC..  trans-57.2131.2167.6-75.8-177.4-174.4175.10110D537 K699 P700 E707 I708D537-K703 IonicContact OD1-NZ 2.91Å; D537-K703 IonicContact OD2-NZ 3.8Å; D537-K703 PolarHBondContact OD2-NZ 3.35Å; K699-K703 PolarHBondContact O-N 3.49Å; P700-K703 PolarHBondContact O-N 3.36Å; K703-E707 VanDerWaalsContact CA-OE2 3.24Å; K703-E707 WeakPolarHBondContact CA-OE2 3.41Å; K703-E707 HydrophobicContact CB-CB 4.23Å; K703-E707 HydrophobicContact CG-CB 4.32Å; K703-I708 HydrophobicContact CB-CD1 4.41Å; K703-I708 HydrophobicContact CB-CG1 3.94Å; K703-I708 HydrophobicContact CD-CG1 4.43Å
704T95.8Very high95.6Very high0 Ų036.1 Ų36.10%017%0.172CC..  trans-81.7166.5172.968.20000110.5F642 Y702 W706 E707 I708F642-T704 CarbonylContact O-C 3.54Å; F642-T704 VanDerWaalsContact O-CA 3.23Å; F642-T704 WeakPolarHBondContact O-CA 3.18Å; Y702-T704 PolarHBondContact O-N 2.94Å; T704-W706 PolarHBondContact O-N 2.82Å; T704-E707 PolarHBondContact N-OE2 3.11Å; T704-E707 PolarHBondContact O-N 3.17Å; T704-E707 PolarHBondContact OG1-OE2 3.21Å; T704-I708 WeakPolarHBondContact O-CG1 3.38Å; T704-I708 PolarHBondContact O-N 3.34Å
705V94.7Very high95.8Very high1 Ų138 Ų381%0.00618%0.183CC..THydrogen-bonded Turntrans-54.8-26176.674.60000113.6P641 F642 T643 E707 Q710 H733P641-V705 HydrophobicContact CB-CB 4.2Å; P641-V705 HydrophobicContact CB-CG2 4.42Å; P641-V705 HydrophobicContact CG-CB 4.36Å; P641-V705 HydrophobicContact CG-CG2 4.04Å; F642-V705 PolarHBondContact O-N 2.93Å; T643-V705 HydrophobicContact CG2-CG1 4.16Å; V705-E707 VanDerWaalsContact C-N 3.3Å; V705-Q710 PolarHBondContact O-NE2 3.23Å; V705-Q710 VanDerWaalsContact O-NE2 3.12Å; V705-H733 HydrophobicContact CG1-CB 4.17Å; V705-H733 HydrophobicContact CG2-CB 3.83Å; V705-H733 VanDerWaalsContact CG2-CG 3.42Å; V705-H733 VanDerWaalsContact CG2-ND1 3.32Å; V705-H733 WeakPolarHBondContact CG2-ND1 3.38Å
706W93.9Very high96Very high30 Ų3037 Ų3711%0.11418%0.175CC..THydrogen-bonded Turntrans-76.5-17.7178.4-47.799.8000113.2T643 T704 H733 A735 R762 R764 G837T643-W706 HydrophobicContact CG2-CZ2 4.1Å; T643-W706 PolarHBondContact O-NE1 3.22Å; T704-W706 PolarHBondContact O-N 2.82Å; W706-H733 HydrophobicContact CE3-CB 4.19Å; W706-H733 HydrophobicContact CZ3-CB 4.07Å; W706-A735 HydrophobicContact CE3-CB 4.27Å; W706-R762 HydrophobicContact CH2-CB 4.34Å; W706-R764 HydrophobicContact CD2-CG 4.13Å; W706-R764 HydrophobicContact CE3-CG 3.92Å; W706-R764 HydrophobicContact CH2-CG 3.92Å; W706-R764 HydrophobicContact CZ2-CG 4.12Å; W706-R764 HydrophobicContact CZ3-CG 3.82Å; W706-G837 CarbonylContact O-C 3.56Å
707E94.5Very high96.2Very high34 Ų3428.5 Ų28.516%0.15914%0.139CC..THydrogen-bonded Turntrans-106.5-11.3-176.4-63.5161169.900111.8S687 Q689 K703 T704 V705S687-E707 WeakPolarHBondContact CB-OE1 3.44Å; S687-E707 PolarHBondContact OG-OE1 3.44Å; Q689-E707 HydrophobicContact CG-CG 4.22Å; Q689-E707 VanDerWaalsContact CG-OE1 3.29Å; Q689-E707 WeakPolarHBondContact CG-OE1 3.32Å; Q689-E707 WeakPolarHBondContact CG-OE2 3.48Å; Q689-E707 PolarHBondContact NE2-OE2 3.32Å; K703-E707 VanDerWaalsContact CA-OE2 3.24Å; K703-E707 WeakPolarHBondContact CA-OE2 3.41Å; K703-E707 HydrophobicContact CB-CB 4.23Å; K703-E707 HydrophobicContact CG-CB 4.32Å; T704-E707 PolarHBondContact N-OE2 3.11Å; T704-E707 PolarHBondContact O-N 3.17Å; T704-E707 PolarHBondContact OG1-OE2 3.21Å; V705-E707 VanDerWaalsContact C-N 3.3Å
708I95.3Very high96.4Very high0 Ų023.1 Ų23.10%012%0.117CC..SBendtrans-88132.1176.9-63.8162.8000108.6F536 D537 P641 K703 T704 Q710 K712 I713F536-I708 HydrophobicContact CB-CD1 3.78Å; F536-I708 HydrophobicContact CD1-CD1 4.21Å; F536-I708 HydrophobicContact CG-CD1 4.08Å; D537-I708 HydrophobicContact CB-CG2 4.23Å; P641-I708 HydrophobicContact CB-CD1 3.58Å; P641-I708 HydrophobicContact CG-CD1 3.78Å; K703-I708 HydrophobicContact CB-CD1 4.41Å; K703-I708 HydrophobicContact CB-CG1 3.94Å; K703-I708 HydrophobicContact CD-CG1 4.43Å; T704-I708 WeakPolarHBondContact O-CG1 3.38Å; T704-I708 PolarHBondContact O-N 3.34Å; I708-Q710 PolarHBondContact O-N 2.88Å; I708-Q710 PolarHBondContact O-NE2 2.82Å; I708-K712 HydrophobicContact CG2-CB 4.32Å; I708-I713 HydrophobicContact CB-CD1 4.46Å; I708-I713 HydrophobicContact CG2-CD1 3.65Å; I708-I713 HydrophobicContact CG2-CG1 4.05Å
709S94.1Very high96.5Very high32 Ų3224.2 Ų24.222%0.22413%0.129CC..  trans-59.2126.9172.9173.10000109.8K711 K712 I713 L833S709-K711 PolarHBondContact O-N 3.49Å; S709-K711 WeakPolarHBondContact OG-CB 3.42Å; S709-K711 PolarHBondContact OG-N 2.84Å; S709-K712 WeakPolarHBondContact O-CA 3.33Å; S709-K712 VanDerWaalsContact O-CB 3.3Å; S709-K712 WeakPolarHBondContact O-CB 3.42Å; S709-K712 PolarHBondContact O-N 3.24Å; S709-I713 PolarHBondContact O-N 3.45Å; S709-L833 PolarHBondContact OG-O 2.96Å
710Q94.5Very high96.6Very high8 Ų822.8 Ų22.84%0.03712%0.123CC..Hα-helixtrans-65.3-22.1178.6-58.8-54.5-67.700112.3V705 I708 K712 I713 I714 H733 L734 M745V705-Q710 PolarHBondContact O-NE2 3.23Å; V705-Q710 VanDerWaalsContact O-NE2 3.12Å; I708-Q710 PolarHBondContact O-N 2.88Å; I708-Q710 PolarHBondContact O-NE2 2.82Å; Q710-K712 VanDerWaalsContact C-N 3.28Å; Q710-K712 PolarHBondContact O-N 3.26Å; Q710-I713 WeakPolarHBondContact O-CB 3.43Å; Q710-I713 PolarHBondContact O-N 3.18Å; Q710-I714 WeakPolarHBondContact O-CG1 3.25Å; Q710-I714 PolarHBondContact O-N 3.02Å; Q710-H733 WeakPolarHBondContact CG-O 3.37Å; Q710-H733 PolarHBondContact NE2-O 3.43Å; Q710-H733 PolarHBondContact OE1-O 2.58Å; Q710-L734 HydrophobicContact CG-CD2 4.15Å; Q710-M745 HydrophobicContact CB-CG 4.33Å; Q710-M745 HydrophobicContact CB-SD 3.39Å; Q710-M745 WeakPolarHBondContact CB-SD 3.46Å; Q710-M745 HydrophobicContact CG-SD 3.82Å
711K95.6Very high96.7Very high51 Ų5120.7 Ų20.722%0.22211%0.109CC..Hα-helixtrans-56.7-42.7167.5-171.3-179.9177.8174.40111.3S709 I714 D715 Y748 E830 L833S709-K711 PolarHBondContact O-N 3.49Å; S709-K711 WeakPolarHBondContact OG-CB 3.42Å; S709-K711 PolarHBondContact OG-N 2.84Å; K711-I714 PolarHBondContact O-N 3.17Å; K711-D715 PolarHBondContact O-N 3.45Å; K711-Y748 HydrophobicContact CD-CE1 4.41Å; K711-Y748 VanDerWaalsContact CE-CZ 3.45Å; K711-Y748 VanDerWaalsContact CE-OH 3.24Å; K711-Y748 WeakPolarHBondContact CE-OH 3.48Å; K711-Y748 HydrophobicContact CG-CD1 4.02Å; K711-Y748 HydrophobicContact CG-CE1 3.47Å; K711-Y748 VanDerWaalsContact CG-CE1 3.47Å; K711-Y748 HydrophobicContact CG-CE2 4.42Å; K711-E830 IonicContact NZ-OE1 3.89Å; K711-L833 HydrophobicContact CB-CB 4.23Å; K711-L833 HydrophobicContact CB-CD2 4.43Å; K711-L833 HydrophobicContact CD-CB 4.16Å; K711-L833 HydrophobicContact CD-CD1 4.25Å; K711-L833 HydrophobicContact CG-CD1 4.41Å
712K97Very high96.8Very high93 Ų9320.7 Ų20.740%0.40411%0.11SC..Hα-helixtrans-66.7-37.3176.7-67.4-70.4-172.9172.90111.9D537 I708 S709 Q710 I714 D715 M716D537-K712 HydrophobicContact CB-CB 4.3Å; D537-K712 HydrophobicContact CB-CG 4.17Å; I708-K712 HydrophobicContact CG2-CB 4.32Å; S709-K712 WeakPolarHBondContact O-CA 3.33Å; S709-K712 VanDerWaalsContact O-CB 3.3Å; S709-K712 WeakPolarHBondContact O-CB 3.42Å; S709-K712 PolarHBondContact O-N 3.24Å; Q710-K712 VanDerWaalsContact C-N 3.28Å; Q710-K712 PolarHBondContact O-N 3.26Å; K712-I714 VanDerWaalsContact C-N 3.33Å; K712-D715 PolarHBondContact O-N 3.24Å; K712-M716 WeakPolarHBondContact O-CG 3.42Å; K712-M716 PolarHBondContact O-N 2.85Å
713I97.5Very high96.9Very high13 Ų1320.7 Ų20.77%0.06711%0.11CC..Hα-helixtrans-62-43.4173.7-56.3-56.9000110.8F536 P641 I708 S709 Q710 M716 A717 L730F536-I713 HydrophobicContact CD1-CD1 4.26Å; F536-I713 HydrophobicContact CE1-CD1 4.01Å; P641-I713 HydrophobicContact CG-CD1 3.57Å; I708-I713 HydrophobicContact CB-CD1 4.46Å; I708-I713 HydrophobicContact CG2-CD1 3.65Å; I708-I713 HydrophobicContact CG2-CG1 4.05Å; S709-I713 PolarHBondContact O-N 3.45Å; Q710-I713 WeakPolarHBondContact O-CB 3.43Å; Q710-I713 PolarHBondContact O-N 3.18Å; I713-M716 WeakPolarHBondContact O-CB 3.22Å; I713-M716 PolarHBondContact O-N 3.38Å; I713-A717 PolarHBondContact O-N 2.96Å; I713-L730 HydrophobicContact CG2-CD1 3.96Å
714I98.4Very high96.9Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-65-40.7174.8-65.4163.9000111.1Q710 K711 K712 M716 A717 A718 L732 M745 Y748 A749 K752 L754Q710-I714 WeakPolarHBondContact O-CG1 3.25Å; Q710-I714 PolarHBondContact O-N 3.02Å; K711-I714 PolarHBondContact O-N 3.17Å; K712-I714 VanDerWaalsContact C-N 3.33Å; I714-M716 VanDerWaalsContact C-N 3.34Å; I714-M716 PolarHBondContact O-N 2.77Å; I714-A717 WeakPolarHBondContact O-CB 3.39Å; I714-A717 PolarHBondContact O-N 2.96Å; I714-A718 WeakPolarHBondContact O-CB 3.42Å; I714-A718 PolarHBondContact O-N 3.49Å; I714-L732 HydrophobicContact CD1-CD2 4.43Å; I714-L732 HydrophobicContact CG1-CD2 4.11Å; I714-M745 HydrophobicContact CD1-CB 4.06Å; I714-M745 HydrophobicContact CD1-CG 4.33Å; I714-Y748 HydrophobicContact CB-CD1 4.01Å; I714-Y748 HydrophobicContact CB-CE1 4.19Å; I714-Y748 HydrophobicContact CD1-CD1 4.06Å; I714-Y748 HydrophobicContact CG2-CD1 3.56Å; I714-Y748 HydrophobicContact CG2-CE1 3.83Å; I714-A749 HydrophobicContact CD1-CB 4.35Å; I714-A749 HydrophobicContact CG2-CB 4.06Å; I714-K752 HydrophobicContact CG2-CG 4.49Å; I714-L754 HydrophobicContact CG2-CD1 3.89Å
715D98.3Very high97.1Very high48 Ų4818.6 Ų18.626%0.25710%0.101SC..Hα-helixtrans-62.5-40.3175.8-69.3-29.8000111.6K711 K712 A718 G719 Y748K711-D715 PolarHBondContact O-N 3.45Å; K712-D715 PolarHBondContact O-N 3.24Å; D715-A718 PolarHBondContact O-N 3.4Å; D715-G719 PolarHBondContact O-N 2.88Å; D715-Y748 WeakPolarHBondContact OD1-CE1 3.45Å; D715-Y748 PolarHBondContact OD1-OH 3.26Å
716M98.4Very high97.2Very high9 Ų918.6 Ų18.64%0.04410%0.101CC..Hα-helixtrans-62.3-43.2174-69.3-69.9-87.600111.3F529 F536 A541 A542 N545 K712 I713 I714 G719 R720F529-M716 HydrophobicContact CE2-CE 3.38Å; F529-M716 HydrophobicContact CZ-CE 3.53Å; F536-M716 HydrophobicContact CE1-CE 4.1Å; F536-M716 HydrophobicContact CE1-CG 4.46Å; A541-M716 HydrophobicContact CB-CE 4.5Å; A542-M716 VanDerWaalsContact CA-SD 3.53Å; A542-M716 HydrophobicContact CB-SD 3.88Å; N545-M716 HydrophobicContact CB-CE 3.58Å; N545-M716 HydrophobicContact CB-SD 4.05Å; N545-M716 PolarHBondContact ND2-O 2.98Å; K712-M716 WeakPolarHBondContact O-CG 3.42Å; K712-M716 PolarHBondContact O-N 2.85Å; I713-M716 WeakPolarHBondContact O-CB 3.22Å; I713-M716 PolarHBondContact O-N 3.38Å; I714-M716 VanDerWaalsContact C-N 3.34Å; I714-M716 PolarHBondContact O-N 2.77Å; M716-G719 PolarHBondContact O-N 3.06Å; M716-R720 WeakPolarHBondContact O-CG 3.41Å; M716-R720 PolarHBondContact O-N 3.11Å; M716-R720 PolarHBondContact O-NH1 3.32Å
717A98.6Very high97.4Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-61.3-44.9174.700000111.9I713 I714 R720 A721 Q728 L730 L754I713-A717 PolarHBondContact O-N 2.96Å; I714-A717 WeakPolarHBondContact O-CB 3.39Å; I714-A717 PolarHBondContact O-N 2.96Å; A717-R720 VanDerWaalsContact CA-CZ 3.48Å; A717-R720 VanDerWaalsContact O-CG 3.31Å; A717-R720 WeakPolarHBondContact O-CG 3.47Å; A717-A721 WeakPolarHBondContact O-CB 3.36Å; A717-A721 PolarHBondContact O-N 2.81Å; A717-A721 VanDerWaalsContact O-N 3.14Å; A717-Q728 PolarHBondContact O-NE2 2.76Å; A717-L730 HydrophobicContact CB-CD1 4Å; A717-L730 HydrophobicContact CB-CD2 4.06Å; A717-L754 HydrophobicContact CB-CD1 4.04Å; A717-L754 HydrophobicContact CB-CD2 4.21Å
718A98.4Very high97.6Very high18 Ų1816 Ų1615%0.1499%0.091CC..Hα-helixtrans-66.6-38.1178.300000112I714 D715 R720 A721 P722 K752 L754I714-A718 WeakPolarHBondContact O-CB 3.42Å; I714-A718 PolarHBondContact O-N 3.49Å; D715-A718 PolarHBondContact O-N 3.4Å; A718-R720 VanDerWaalsContact C-N 3.31Å; A718-R720 PolarHBondContact O-N 3.02Å; A718-A721 PolarHBondContact O-N 2.87Å; A718-P722 VanDerWaalsContact O-CD 3.29Å; A718-P722 WeakPolarHBondContact O-CD 3.35Å; A718-K752 HydrophobicContact CB-CB 4.13Å; A718-K752 HydrophobicContact CB-CG 4.45Å; A718-L754 HydrophobicContact CB-CD2 4.16Å
719G97.8Very high97.7Very high28 Ų2816.3 Ų16.329%0.2899%0.092SC..Hα-helixtrans-64.1-32.4-179.700000114D715 M716D715-G719 PolarHBondContact O-N 2.88Å; M716-G719 PolarHBondContact O-N 3.06Å
720R98.4Very high97.9Very high5 Ų515 Ų152%0.0198%0.083CC..Hα-helixtrans-91.7-18.2176.362.4-175.8170.6-103.5-2114.4N545 F549 T639 M716 A717 A718 P722 F723 I724N545-R720 PolarHBondContact OD1-NH1 3.34Å; N545-R720 VanDerWaalsContact OD1-NH1 3.13Å; F549-R720 HydrophobicContact CB-CB 3.91Å; F549-R720 HydrophobicContact CD2-CB 3.34Å; F549-R720 HydrophobicContact CD2-CG 4.08Å; F549-R720 HydrophobicContact CE2-CB 4.01Å; F549-R720 HydrophobicContact CE2-CG 4.27Å; F549-R720 HydrophobicContact CG-CB 3.69Å; T639-R720 PolarHBondContact OG1-NH2 3.08Å; M716-R720 WeakPolarHBondContact O-CG 3.41Å; M716-R720 PolarHBondContact O-N 3.11Å; M716-R720 PolarHBondContact O-NH1 3.32Å; A717-R720 VanDerWaalsContact CA-CZ 3.48Å; A717-R720 VanDerWaalsContact O-CG 3.31Å; A717-R720 WeakPolarHBondContact O-CG 3.47Å; A718-R720 VanDerWaalsContact C-N 3.31Å; A718-R720 PolarHBondContact O-N 3.02Å; R720-P722 VanDerWaalsContact C-N 3.34Å; R720-F723 PolarHBondContact O-N 2.82Å; R720-I724 HydrophobicContact CB-CD1 4.22Å; R720-I724 HydrophobicContact CG-CD1 3.72Å
721A98.6Very high98Very high4 Ų415.3 Ų15.33%0.0339%0.085CC..G310 helixtrans-58.3-32-173.300000115.7W588 A717 A718 F723 I724 L754W588-A721 HydrophobicContact CD2-CB 4.46Å; W588-A721 HydrophobicContact CE3-CB 4.4Å; W588-A721 HydrophobicContact CH2-CB 3.26Å; W588-A721 HydrophobicContact CZ2-CB 3.33Å; W588-A721 HydrophobicContact CZ3-CB 3.83Å; W588-A721 PolarHBondContact NE1-O 3.23Å; A717-A721 WeakPolarHBondContact O-CB 3.36Å; A717-A721 PolarHBondContact O-N 2.81Å; A717-A721 VanDerWaalsContact O-N 3.14Å; A718-A721 PolarHBondContact O-N 2.87Å; A721-F723 PolarHBondContact O-N 2.8Å; A721-I724 PolarHBondContact O-N 3.26Å; A721-I724 VanDerWaalsContact O-N 3.11Å; A721-L754 HydrophobicContact CB-CD2 4.1Å
722P98.6Very high98Very high11 Ų1112.9 Ų12.97%0.0717%0.074CC..G310 helixtrans-59-14.5172.2-27.336.3000115.2Q584 P585 W588 V590 A718 R720Q584-P722 CarbonylContact C-O 3.6Å; Q584-P722 VanDerWaalsContact CG-O 3.22Å; Q584-P722 WeakPolarHBondContact CG-O 3Å; P585-P722 WeakPolarHBondContact CA-O 3.46Å; P585-P722 VanDerWaalsContact CD-O 3.3Å; P585-P722 WeakPolarHBondContact CD-O 3.45Å; P585-P722 WeakPolarHBondContact CG-O 3.44Å; P585-P722 VanDerWaalsContact N-O 3.1Å; W588-P722 HydrophobicContact CB-CB 4.02Å; W588-P722 HydrophobicContact CB-CG 3.97Å; W588-P722 HydrophobicContact CD2-CG 4.14Å; W588-P722 HydrophobicContact CE3-CG 4.33Å; W588-P722 HydrophobicContact CG-CB 4.07Å; W588-P722 HydrophobicContact CG-CG 4.01Å; V590-P722 HydrophobicContact CG2-CB 3.82Å; V590-P722 HydrophobicContact CG2-CG 3.77Å; A718-P722 VanDerWaalsContact O-CD 3.29Å; A718-P722 WeakPolarHBondContact O-CD 3.35Å; R720-P722 VanDerWaalsContact C-N 3.34Å
723F98.8Very high97.9Very high0 Ų08.9 Ų8.90%06%0.057CC..G310 helixtrans-114.49.2-178.4-47.7-64.7000112.4K546 F549 E550 Y553 P585 L595 W603 L621 R720 A721K546-F723 HydrophobicContact CG-CE2 3.73Å; K546-F723 HydrophobicContact CG-CZ 4.45Å; F549-F723 HydrophobicContact CB-CB 3.99Å; F549-F723 HydrophobicContact CB-CD2 4.24Å; F549-F723 WeakPolarHBondContact O-CB 3.38Å; E550-F723 HydrophobicContact CB-CD1 4.03Å; E550-F723 HydrophobicContact CB-CD2 4.09Å; E550-F723 HydrophobicContact CB-CE1 3.81Å; E550-F723 HydrophobicContact CB-CE2 3.88Å; E550-F723 HydrophobicContact CB-CG 4.16Å; E550-F723 HydrophobicContact CB-CZ 3.73Å; E550-F723 HydrophobicContact CG-CD1 4.18Å; E550-F723 HydrophobicContact CG-CE1 3.69Å; E550-F723 HydrophobicContact CG-CZ 3.89Å; Y553-F723 WeakPolarHBondContact CB-O 3.4Å; Y553-F723 HydrophobicContact CD1-CD1 4.43Å; Y553-F723 HydrophobicContact CG-CB 4.33Å; P585-F723 HydrophobicContact CB-CE1 4.5Å; P585-F723 HydrophobicContact CG-CD1 3.91Å; P585-F723 HydrophobicContact CG-CE1 3.87Å; L595-F723 HydrophobicContact CD1-CE1 3.57Å; L595-F723 HydrophobicContact CD1-CZ 3.76Å; L595-F723 HydrophobicContact CD2-CZ 4.04Å; W603-F723 HydrophobicContact CZ2-CE1 4.46Å; L621-F723 WeakPolarHBondContact CD2-O 3.33Å; R720-F723 PolarHBondContact O-N 2.82Å; A721-F723 PolarHBondContact O-N 2.8Å
724I98.8Very high97.6Very high3 Ų38.5 Ų8.52%0.0156%0.055CC..  trans-116.4103.1178.9-62.2169.2000107.7F549 Q584 P623 R720 A721 S727 Q728 K755F549-I724 HydrophobicContact CD1-CD1 4.44Å; F549-I724 HydrophobicContact CD1-CG1 4.36Å; Q584-I724 PolarHBondContact NE2-O 2.89Å; P623-I724 HydrophobicContact CG-CD1 3.69Å; P623-I724 HydrophobicContact CG-CG1 4.26Å; R720-I724 HydrophobicContact CB-CD1 4.22Å; R720-I724 HydrophobicContact CG-CD1 3.72Å; A721-I724 PolarHBondContact O-N 3.26Å; A721-I724 VanDerWaalsContact O-N 3.11Å; I724-S727 VanDerWaalsContact CG2-O 3.24Å; I724-S727 WeakPolarHBondContact CG2-O 3.33Å; I724-Q728 HydrophobicContact CD1-CB 4.23Å; I724-K755 PolarHBondContact O-NZ 3.13Å
725D98.4Very high97Very high3 Ų39.5 Ų9.52%0.0166%0.064CC..SBendtrans-77.7-25.6-178.9552.4000113Y553 Q584 L619 L620 L621 K755Y553-D725 HydrophobicContact CE2-CB 4.13Å; Q584-D725 HydrophobicContact CB-CB 4.35Å; Q584-D725 HydrophobicContact CG-CB 4.24Å; L619-D725 WeakPolarHBondContact CA-OD2 3.28Å; L619-D725 HydrophobicContact CD2-CB 3.92Å; L620-D725 WeakPolarHBondContact CB-OD2 3.49Å; L620-D725 VanDerWaalsContact N-CG 3.25Å; L620-D725 PolarHBondContact N-OD1 3.34Å; L620-D725 PolarHBondContact N-OD2 2.62Å; L621-D725 PolarHBondContact N-OD1 3.24Å; D725-K755 PolarHBondContact O-NZ 3.24Å
726Q98.4Very high96.5Very high1 Ų114.8 Ų14.81%0.0059%0.087CC..SBendtrans-85.1-128165.1-53.6-145.238.200111.5E447 I448 E450 I518 L619 L621 A622 K755E447-Q726 VanDerWaalsContact O-CB 3.31Å; E447-Q726 WeakPolarHBondContact O-CB 3.42Å; I448-Q726 VanDerWaalsContact CA-OE1 3.25Å; I448-Q726 VanDerWaalsContact CD1-OE1 3.25Å; E450-Q726 PolarHBondContact OE1-NE2 2.72Å; E450-Q726 PolarHBondContact OE1-OE1 2.82Å; I518-Q726 PolarHBondContact O-NE2 3.32Å; L619-Q726 HydrophobicContact CB-CG 3.86Å; L619-Q726 HydrophobicContact CD1-CG 4.2Å; L619-Q726 HydrophobicContact CD2-CG 4.41Å; L619-Q726 HydrophobicContact CG-CG 4.38Å; L621-Q726 VanDerWaalsContact O-CB 3.3Å; L621-Q726 WeakPolarHBondContact O-CB 2.93Å; L621-Q726 WeakPolarHBondContact O-CG 3.48Å; L621-Q726 PolarHBondContact O-N 2.91Å; A622-Q726 HydrophobicContact CB-CB 3.92Å; A622-Q726 HydrophobicContact CB-CG 4.13Å; Q726-K755 WeakPolarHBondContact O-CD 3.43Å; Q726-K755 WeakPolarHBondContact O-CE 3.47Å; Q726-K755 PolarHBondContact O-NZ 2.8Å
727S98.3Very high96Very high3 Ų316 Ų162%0.02110%0.095CC..  trans-132.5-166.7168-164.70000109.9T446 E447 P623 I724 K755 T756T446-S727 WeakPolarHBondContact O-CB 3.46Å; E447-S727 CarbonylContact O-C 3.59Å; E447-S727 VanDerWaalsContact O-C 3.3Å; E447-S727 WeakPolarHBondContact O-CA 3.41Å; E447-S727 PolarHBondContact O-N 3.01Å; E447-S727 VanDerWaalsContact O-O 3.11Å; P623-S727 WeakPolarHBondContact CD-O 3.29Å; I724-S727 VanDerWaalsContact CG2-O 3.24Å; I724-S727 WeakPolarHBondContact CG2-O 3.33Å; S727-K755 WeakPolarHBondContact OG-CB 3.44Å; S727-T756 PolarHBondContact OG-N 3.1Å; S727-T756 PolarHBondContact OG-OG1 3.37Å
728Q98.3Very high95.6Very high7 Ų719.2 Ų19.23%0.03311%0.112CC..  trans-138.6139-179.955-177.9-63.600109.6P623 A717 I724 L730 T756P623-Q728 HydrophobicContact CB-CB 4.15Å; P623-Q728 HydrophobicContact CG-CB 4.2Å; A717-Q728 PolarHBondContact O-NE2 2.76Å; I724-Q728 HydrophobicContact CD1-CB 4.23Å; Q728-L730 PolarHBondContact O-N 3.11Å; Q728-T756 WeakPolarHBondContact O-CB 3.48Å; Q728-T756 PolarHBondContact O-OG1 2.89Å
729S97.6Very high95.2Very high5 Ų519.3 Ų19.34%0.03511%0.109CC..  trans-67.8120.2169.6-52.30000109.4C445 P623 P625C445-S729 VanDerWaalsContact O-CB 3.32Å; C445-S729 WeakPolarHBondContact O-CB 3.25Å; C445-S729 PolarHBondContact O-OG 2.75Å; P623-S729 PolarHBondContact O-N 3.17Å; P623-S729 PolarHBondContact O-OG 2.83Å; P625-S729 WeakPolarHBondContact CD-OG 3.18Å
730L97.5Very high94.9Very high5 Ų518 Ų183%0.02610%0.095CC..  trans-123.896.5-176.7-178.560.3000110.8I713 A717 Q728 L732 L754 T756 M758 Y759I713-L730 HydrophobicContact CG2-CD1 3.96Å; A717-L730 HydrophobicContact CB-CD1 4Å; A717-L730 HydrophobicContact CB-CD2 4.06Å; Q728-L730 PolarHBondContact O-N 3.11Å; L730-L732 HydrophobicContact CG-CD2 4.36Å; L730-L754 HydrophobicContact CD2-CD1 3.91Å; L730-T756 HydrophobicContact CB-CG2 4.26Å; L730-M758 CarbonylContact O-C 3.59Å; L730-M758 WeakPolarHBondContact O-CA 3.33Å; L730-Y759 PolarHBondContact O-N 3.01Å
731N96.4Very high94.5Very high14 Ų1419.3 Ų19.38%0.07510%0.101CC..  trans-81.3134.9171.8-70.4-36.4000110.8E640 Y759 Y760E640-N731 PolarHBondContact OE1-ND2 2.97Å; N731-Y759 VanDerWaalsContact OD1-CD1 3.24Å; N731-Y759 WeakPolarHBondContact OD1-CD1 3.46Å; N731-Y760 WeakPolarHBondContact CA-O 3.36Å; N731-Y760 WeakPolarHBondContact OD1-CB 3.37Å; N731-Y760 PolarHBondContact OD1-N 3.33Å
732L95.9Very high94.3Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-107.2139.8171.9-61.3-179.1000109.4I714 L730 M745 M758 Y760 L761 R762I714-L732 HydrophobicContact CD1-CD2 4.43Å; I714-L732 HydrophobicContact CG1-CD2 4.11Å; L730-L732 HydrophobicContact CG-CD2 4.36Å; L732-M745 HydrophobicContact CB-CE 4.29Å; L732-M745 HydrophobicContact CB-SD 4.42Å; L732-M745 HydrophobicContact CD1-CB 4.1Å; L732-M745 HydrophobicContact CD1-CE 3.98Å; L732-M745 HydrophobicContact CD1-SD 4.09Å; L732-M758 HydrophobicContact CB-CG 4.37Å; L732-M758 HydrophobicContact CD1-CB 4.18Å; L732-M758 HydrophobicContact CD1-CG 4.1Å; L732-M758 HydrophobicContact CG-CG 4.15Å; L732-Y760 PolarHBondContact N-O 3.22Å; L732-L761 HydrophobicContact CB-CD1 4.41Å; L732-L761 CarbonylContact O-C 3.51Å; L732-L761 WeakPolarHBondContact O-CA 3.24Å; L732-R762 PolarHBondContact O-N 3.28Å
733H94.6Very high94.2Very high9 Ų918.6 Ų18.64%0.04210%0.096CC..EExtended strand (participates in β ladder)trans-122.6123.1-174.8-62.673.7000110.3V705 W706 Q710 R762V705-H733 HydrophobicContact CG1-CB 4.17Å; V705-H733 HydrophobicContact CG2-CB 3.83Å; V705-H733 VanDerWaalsContact CG2-CG 3.42Å; V705-H733 VanDerWaalsContact CG2-ND1 3.32Å; V705-H733 WeakPolarHBondContact CG2-ND1 3.38Å; W706-H733 HydrophobicContact CE3-CB 4.19Å; W706-H733 HydrophobicContact CZ3-CB 4.07Å; Q710-H733 WeakPolarHBondContact CG-O 3.37Å; Q710-H733 PolarHBondContact NE2-O 3.43Å; Q710-H733 PolarHBondContact OE1-O 2.58Å; H733-R762 WeakPolarHBondContact CA-O 3.44Å; H733-R762 WeakPolarHBondContact CD2-CB 3.42Å
734L91.3Very high94Very high5 Ų518.7 Ų18.73%0.02610%0.097CC..EExtended strand (participates in β ladder)trans-132.2118.9173.1-69.8-178.7000108.6Q710 Q736 P737 K741 I742 M745 L761 R762 T763Q710-L734 HydrophobicContact CG-CD2 4.15Å; L734-Q736 VanDerWaalsContact C-N 3.28Å; L734-Q736 PolarHBondContact O-N 3.21Å; L734-P737 HydrophobicContact CB-CB 4.22Å; L734-P737 HydrophobicContact CD1-CB 4.23Å; L734-K741 HydrophobicContact CD1-CB 4.05Å; L734-K741 HydrophobicContact CD2-CD 4.28Å; L734-I742 HydrophobicContact CD1-CG1 3.62Å; L734-M745 HydrophobicContact CD1-CE 3.47Å; L734-M745 VanDerWaalsContact CD1-CE 3.47Å; L734-M745 HydrophobicContact CD1-SD 4.48Å; L734-M745 HydrophobicContact CD2-CE 4.21Å; L734-M745 HydrophobicContact CD2-SD 4.19Å; L734-M745 HydrophobicContact CG-CE 3.81Å; L734-M745 HydrophobicContact CG-SD 4.37Å; L734-L761 HydrophobicContact CB-CD1 4.41Å; L734-L761 HydrophobicContact CD1-CD1 4.24Å; L734-L761 HydrophobicContact CG-CD1 4.24Å; L734-R762 PolarHBondContact N-O 2.95Å; L734-T763 VanDerWaalsContact O-CA 3.3Å; L734-T763 WeakPolarHBondContact O-CA 3.25Å
735A86.6Confident93.9Very high22 Ų2218.7 Ų18.718%0.18210%0.097CC..SBendtrans-61.4-44.3178.600000110.5W706 R764 G837W706-A735 HydrophobicContact CE3-CB 4.27Å; A735-R764 HydrophobicContact CB-CG 4.27Å; A735-R764 PolarHBondContact O-N 3.36Å; A735-G837 WeakPolarHBondContact CB-OXT 3.44Å; A735-G837 PolarHBondContact N-OXT 3.23Å
736Q86.8Confident93.9Very high159 Ų15918.6 Ų18.674%0.74310%0.096SC*.SBendtrans-12393.8173.9-66.5-179.6-1.800109.2L734L734-Q736 VanDerWaalsContact C-N 3.28Å; L734-Q736 PolarHBondContact O-N 3.21Å
737P87.9Confident93.8Very high34 Ų3418.6 Ų18.622%0.22110%0.096CC..  trans-68.2143.3179.432.4-39000111I414 L734 I742 L761 T763I414-P737 HydrophobicContact CG1-CB 4.14Å; I414-P737 HydrophobicContact CG1-CG 4.4Å; I414-P737 HydrophobicContact CG2-CG 4.13Å; L734-P737 HydrophobicContact CB-CB 4.22Å; L734-P737 HydrophobicContact CD1-CB 4.23Å; P737-I742 HydrophobicContact CB-CD1 3.91Å; P737-L761 HydrophobicContact CB-CD2 4.18Å; P737-T763 HydrophobicContact CB-CG2 4.16Å; P737-T763 HydrophobicContact CG-CG2 3.68Å
738N89.8Confident93.8Very high67 Ų6720 Ų2036%0.35810%0.101SC..  trans-144.8163.3169.569.353.4000110.4G740 K741 I742N738-G740 PolarHBondContact O-N 3.46Å; N738-G740 PolarHBondContact OD1-N 3.06Å; N738-K741 PolarHBondContact O-N 2.8Å; N738-K741 WeakPolarHBondContact OD1-CB 2.95Å; N738-K741 PolarHBondContact OD1-N 3.08Å; N738-I742 WeakPolarHBondContact O-CG1 3.46Å; N738-I742 PolarHBondContact O-N 2.75Å; N738-I742 VanDerWaalsContact O-N 3.1Å
739Y90.7Very high93.8Very high21 Ų2119.7 Ų19.78%0.08210%0.1CC..Hα-helixtrans-59.5-43.3-172.8-73.6-98.9000113.1Y407 I410 E411 I414 T743 N818 I822Y407-Y739 HydrophobicContact CD1-CE1 4.42Å; Y407-Y739 HydrophobicContact CD2-CD1 4.14Å; Y407-Y739 AromaticContact CD2-CE1 3.73Å; Y407-Y739 HydrophobicContact CD2-CE1 3.73Å; Y407-Y739 HydrophobicContact CE1-CE1 4.22Å; Y407-Y739 HydrophobicContact CE2-CD1 4.13Å; Y407-Y739 AromaticContact CE2-CE1 3.53Å; Y407-Y739 HydrophobicContact CE2-CE1 3.53Å; Y407-Y739 AromaticContact CE2-CZ 3.88Å; Y407-Y739 HydrophobicContact CG-CE1 4.17Å; Y407-Y739 AromaticContact CZ-CE1 3.76Å; Y407-Y739 AromaticContact CZ-CZ 3.76Å; Y407-Y739 PolarHBondContact OH-OH 3.14Å; I410-Y739 HydrophobicContact CB-CD1 3.93Å; I410-Y739 HydrophobicContact CB-CE1 4.15Å; I410-Y739 HydrophobicContact CG2-CD1 3.48Å; I410-Y739 VanDerWaalsContact CG2-CD1 3.48Å; I410-Y739 HydrophobicContact CG2-CE1 3.95Å; I410-Y739 HydrophobicContact CG2-CG 3.99Å; E411-Y739 HydrophobicContact CB-CE1 4.33Å; E411-Y739 WeakPolarHBondContact CB-OH 3.4Å; I414-Y739 HydrophobicContact CD1-CD2 4.01Å; I414-Y739 HydrophobicContact CD1-CE2 3.8Å; I414-Y739 HydrophobicContact CD1-CG 4.5Å; Y739-T743 WeakPolarHBondContact O-CB 3.25Å; Y739-T743 PolarHBondContact O-N 3.4Å; Y739-T743 PolarHBondContact O-OG1 2.75Å; Y739-N818 HydrophobicContact CD1-CB 4.31Å; Y739-N818 HydrophobicContact CD2-CB 3.8Å; Y739-N818 VanDerWaalsContact CD2-CG 3.41Å; Y739-N818 HydrophobicContact CE1-CB 4.5Å; Y739-N818 HydrophobicContact CE2-CB 4.04Å; Y739-N818 VanDerWaalsContact CE2-CG 3.46Å; Y739-N818 WeakPolarHBondContact CE2-ND2 3.39Å; Y739-N818 HydrophobicContact CG-CB 3.96Å; Y739-I822 HydrophobicContact CD1-CD1 4.04Å; Y739-I822 HydrophobicContact CD1-CG1 4.49Å
740G90.9Very high93.9Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-65.9-45.2179.700000113.4N738 S744 S821 S825N738-G740 PolarHBondContact O-N 3.46Å; N738-G740 PolarHBondContact OD1-N 3.06Å; G740-S744 VanDerWaalsContact O-CB 3.26Å; G740-S744 WeakPolarHBondContact O-CB 3.43Å; G740-S744 PolarHBondContact O-N 3.28Å; G740-S821 WeakPolarHBondContact CA-OG 3.45Å; G740-S821 PolarHBondContact N-OG 3.13Å; G740-S825 WeakPolarHBondContact O-CB 3Å
741K91.2Very high93.9Very high32 Ų3226.1 Ų26.114%0.13912%0.123CC..Hα-helixtrans-63.3-48.3178.7-78.7-175.3169.6-172.90111.5L734 N738 S744 M745 Q836L734-K741 HydrophobicContact CD1-CB 4.05Å; L734-K741 HydrophobicContact CD2-CD 4.28Å; N738-K741 PolarHBondContact O-N 2.8Å; N738-K741 WeakPolarHBondContact OD1-CB 2.95Å; N738-K741 PolarHBondContact OD1-N 3.08Å; K741-S744 PolarHBondContact O-N 3.11Å; K741-M745 WeakPolarHBondContact O-CG 3.46Å; K741-M745 PolarHBondContact O-N 3.12Å; K741-Q836 PolarHBondContact NZ-O 3.16Å
742I94.3Very high93.9Very high0 Ų029.7 Ų29.70%014%0.138CC..Hα-helixtrans-64.7-46-179.2-59.7167.6000110.7I410 I414 L734 P737 N738 S744 M745 H746 L761I410-I742 HydrophobicContact CD1-CB 4Å; I410-I742 HydrophobicContact CD1-CG2 3.39Å; I410-I742 HydrophobicContact CG2-CB 4.18Å; I410-I742 HydrophobicContact CG2-CD1 4.03Å; I410-I742 HydrophobicContact CG2-CG2 4.36Å; I414-I742 HydrophobicContact CD1-CD1 4.03Å; I414-I742 HydrophobicContact CG1-CD1 3.5Å; I414-I742 VanDerWaalsContact CG1-CD1 3.5Å; L734-I742 HydrophobicContact CD1-CG1 3.62Å; P737-I742 HydrophobicContact CB-CD1 3.91Å; N738-I742 WeakPolarHBondContact O-CG1 3.46Å; N738-I742 PolarHBondContact O-N 2.75Å; N738-I742 VanDerWaalsContact O-N 3.1Å; I742-S744 VanDerWaalsContact C-N 3.34Å; I742-S744 PolarHBondContact O-N 2.86Å; I742-M745 HydrophobicContact CB-CE 4.49Å; I742-M745 HydrophobicContact CG1-CE 4.3Å; I742-M745 PolarHBondContact O-N 3.38Å; I742-H746 WeakPolarHBondContact CG2-NE2 3.3Å; I742-H746 PolarHBondContact O-CD2 2.93Å; I742-H746 PolarHBondContact O-N 3.05Å; I742-L761 HydrophobicContact CD1-CD2 3.69Å; I742-L761 HydrophobicContact CG1-CD2 4.31Å
743T96Very high94Very high0 Ų030.3 Ų30.30%014%0.144CC..Hα-helixtrans-55.9-50.8175.5-62.80000110.7W406 Y739 M745 H746 F747 I822 S825 L826W406-T743 HydrophobicContact CZ2-CG2 4.42Å; W406-T743 PolarHBondContact NE1-OG1 3.11Å; Y739-T743 WeakPolarHBondContact O-CB 3.25Å; Y739-T743 PolarHBondContact O-N 3.4Å; Y739-T743 PolarHBondContact O-OG1 2.75Å; T743-M745 VanDerWaalsContact C-N 3.31Å; T743-M745 PolarHBondContact O-N 3.02Å; T743-H746 PolarHBondContact O-N 2.94Å; T743-F747 HydrophobicContact CG2-CD2 3.75Å; T743-F747 HydrophobicContact CG2-CE2 3.98Å; T743-F747 WeakPolarHBondContact O-CD2 3.46Å; T743-F747 PolarHBondContact O-N 3.46Å; T743-I822 HydrophobicContact CG2-CG2 4.26Å; T743-S825 WeakPolarHBondContact CG2-OG 3.37Å; T743-L826 HydrophobicContact CG2-CD2 3.84Å; T743-L826 HydrophobicContact CG2-CG 4.08Å
744S95.1Very high94.2Very high2 Ų230 Ų301%0.01414%0.142CC..Hα-helixtrans-60.3-39.3-179.1-161.90000113G740 K741 I742 Y748 P829 L833G740-S744 VanDerWaalsContact O-CB 3.26Å; G740-S744 WeakPolarHBondContact O-CB 3.43Å; G740-S744 PolarHBondContact O-N 3.28Å; K741-S744 PolarHBondContact O-N 3.11Å; I742-S744 VanDerWaalsContact C-N 3.34Å; I742-S744 PolarHBondContact O-N 2.86Å; S744-Y748 WeakPolarHBondContact O-CB 3.32Å; S744-Y748 PolarHBondContact O-N 2.61Å; S744-P829 PolarHBondContact OG-O 2.99Å; S744-P829 VanDerWaalsContact OG-O 3.06Å; S744-L833 VanDerWaalsContact OG-CG 3.3Å; S744-L833 WeakPolarHBondContact OG-CG 3.48Å
745M95.9Very high94.6Very high4 Ų430.1 Ų30.12%0.0214%0.143CC..Hα-helixtrans-63.1-48.2175.6-72.5-171.8-53.500112.5Q710 I714 L732 L734 K741 I742 T743 Y748 A749 L761 L833Q710-M745 HydrophobicContact CB-CG 4.33Å; Q710-M745 HydrophobicContact CB-SD 3.39Å; Q710-M745 WeakPolarHBondContact CB-SD 3.46Å; Q710-M745 HydrophobicContact CG-SD 3.82Å; I714-M745 HydrophobicContact CD1-CB 4.06Å; I714-M745 HydrophobicContact CD1-CG 4.33Å; L732-M745 HydrophobicContact CB-CE 4.29Å; L732-M745 HydrophobicContact CB-SD 4.42Å; L732-M745 HydrophobicContact CD1-CB 4.1Å; L732-M745 HydrophobicContact CD1-CE 3.98Å; L732-M745 HydrophobicContact CD1-SD 4.09Å; L734-M745 HydrophobicContact CD1-CE 3.47Å; L734-M745 VanDerWaalsContact CD1-CE 3.47Å; L734-M745 HydrophobicContact CD1-SD 4.48Å; L734-M745 HydrophobicContact CD2-CE 4.21Å; L734-M745 HydrophobicContact CD2-SD 4.19Å; L734-M745 HydrophobicContact CG-CE 3.81Å; L734-M745 HydrophobicContact CG-SD 4.37Å; K741-M745 WeakPolarHBondContact O-CG 3.46Å; K741-M745 PolarHBondContact O-N 3.12Å; I742-M745 HydrophobicContact CB-CE 4.49Å; I742-M745 HydrophobicContact CG1-CE 4.3Å; I742-M745 PolarHBondContact O-N 3.38Å; T743-M745 VanDerWaalsContact C-N 3.31Å; T743-M745 PolarHBondContact O-N 3.02Å; M745-Y748 PolarHBondContact O-N 2.87Å; M745-A749 WeakPolarHBondContact O-CB 3.49Å; M745-A749 PolarHBondContact O-N 3.4Å; M745-L761 HydrophobicContact CE-CD1 4.45Å; M745-L833 HydrophobicContact CG-CD2 3.79Å
746H97.8Very high95.1Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-61.9-48.8179.6-71.6-48.1000111.3W406 Q413 Y423 I742 T743 Y748 A749 W750W406-H746 HydrophobicContact CH2-CB 3.68Å; W406-H746 AromaticContact CH2-CD2 3.94Å; W406-H746 HydrophobicContact CZ2-CB 3.85Å; W406-H746 AromaticContact CZ2-CD2 3.87Å; Q413-H746 PolarHBondContact NE2-NE2 3.43Å; Q413-H746 PolarHBondContact OE1-NE2 3.37Å; Y423-H746 PolarHBondContact OH-O 3.26Å; I742-H746 WeakPolarHBondContact CG2-NE2 3.3Å; I742-H746 PolarHBondContact O-CD2 2.93Å; I742-H746 PolarHBondContact O-N 3.05Å; T743-H746 PolarHBondContact O-N 2.94Å; H746-Y748 VanDerWaalsContact C-N 3.3Å; H746-Y748 PolarHBondContact O-N 3.43Å; H746-A749 PolarHBondContact O-N 3.25Å; H746-W750 WeakPolarHBondContact O-CB 3.49Å; H746-W750 PolarHBondContact O-N 2.79Å
747F98.1Very high95.6Very high2 Ų221.6 Ų21.61%0.00910%0.099CC..Hα-helixtrans-63-36.4178-85.6-86.2000112.6M355 V358 E359 W406 T743 W750 R751 L826M355-F747 HydrophobicContact CE-CD1 4.07Å; M355-F747 HydrophobicContact CE-CD2 4.18Å; M355-F747 HydrophobicContact CE-CE1 3.82Å; M355-F747 HydrophobicContact CE-CE2 3.97Å; M355-F747 HydrophobicContact CE-CG 4.23Å; M355-F747 HydrophobicContact CE-CZ 3.78Å; M355-F747 WeakPolarHBondContact O-CE1 3.5Å; V358-F747 HydrophobicContact CB-CZ 3.84Å; V358-F747 HydrophobicContact CG1-CE2 3.83Å; V358-F747 HydrophobicContact CG1-CZ 3.53Å; E359-F747 HydrophobicContact CB-CE1 3.77Å; E359-F747 HydrophobicContact CB-CZ 4.39Å; E359-F747 HydrophobicContact CG-CE1 4.36Å; W406-F747 HydrophobicContact CD2-CE2 4.46Å; W406-F747 AromaticContact CE2-CE2 3.87Å; W406-F747 HydrophobicContact CH2-CD2 4.46Å; W406-F747 HydrophobicContact CH2-CE2 4.02Å; W406-F747 AromaticContact CZ2-CD2 3.99Å; W406-F747 HydrophobicContact CZ2-CD2 3.99Å; W406-F747 AromaticContact CZ2-CE2 3.63Å; W406-F747 HydrophobicContact CZ2-CE2 3.63Å; T743-F747 HydrophobicContact CG2-CD2 3.75Å; T743-F747 HydrophobicContact CG2-CE2 3.98Å; T743-F747 WeakPolarHBondContact O-CD2 3.46Å; T743-F747 PolarHBondContact O-N 3.46Å; F747-W750 AromaticContact CD1-CE3 3.9Å; F747-W750 HydrophobicContact CD1-CE3 3.9Å; F747-W750 HydrophobicContact CD1-CZ3 4.17Å; F747-W750 HydrophobicContact CE1-CE3 4.28Å; F747-W750 HydrophobicContact CE1-CZ3 4.34Å; F747-R751 WeakPolarHBondContact O-CB 3.43Å; F747-R751 VanDerWaalsContact O-CG 3.25Å; F747-R751 WeakPolarHBondContact O-CG 3.44Å; F747-R751 PolarHBondContact O-N 2.84Å; F747-L826 HydrophobicContact CD1-CD2 3.99Å; F747-L826 HydrophobicContact CD2-CD2 3.54Å; F747-L826 HydrophobicContact CE1-CD2 3.99Å; F747-L826 HydrophobicContact CE2-CD2 3.52Å; F747-L826 HydrophobicContact CG-CD2 3.77Å; F747-L826 HydrophobicContact CZ-CD2 3.75Å
748Y97.7Very high96.1Very high32 Ų3220 Ų2013%0.1259%0.089CC..Hα-helixtrans-65.4-46.9174.2-172.3-108.6000111.9K711 I714 D715 S744 M745 H746 W750 R751 K752 L833K711-Y748 HydrophobicContact CD-CE1 4.41Å; K711-Y748 VanDerWaalsContact CE-CZ 3.45Å; K711-Y748 VanDerWaalsContact CE-OH 3.24Å; K711-Y748 WeakPolarHBondContact CE-OH 3.48Å; K711-Y748 HydrophobicContact CG-CD1 4.02Å; K711-Y748 HydrophobicContact CG-CE1 3.47Å; K711-Y748 VanDerWaalsContact CG-CE1 3.47Å; K711-Y748 HydrophobicContact CG-CE2 4.42Å; I714-Y748 HydrophobicContact CB-CD1 4.01Å; I714-Y748 HydrophobicContact CB-CE1 4.19Å; I714-Y748 HydrophobicContact CD1-CD1 4.06Å; I714-Y748 HydrophobicContact CG2-CD1 3.56Å; I714-Y748 HydrophobicContact CG2-CE1 3.83Å; D715-Y748 WeakPolarHBondContact OD1-CE1 3.45Å; D715-Y748 PolarHBondContact OD1-OH 3.26Å; S744-Y748 WeakPolarHBondContact O-CB 3.32Å; S744-Y748 PolarHBondContact O-N 2.61Å; M745-Y748 PolarHBondContact O-N 2.87Å; H746-Y748 VanDerWaalsContact C-N 3.3Å; H746-Y748 PolarHBondContact O-N 3.43Å; Y748-W750 VanDerWaalsContact C-N 3.34Å; Y748-W750 PolarHBondContact O-N 3.25Å; Y748-R751 PolarHBondContact O-N 2.7Å; Y748-K752 HydrophobicContact CD1-CG 4.45Å; Y748-K752 HydrophobicContact CE1-CG 4.15Å; Y748-K752 WeakPolarHBondContact O-CB 3.32Å; Y748-K752 VanDerWaalsContact O-CG 3.3Å; Y748-K752 WeakPolarHBondContact O-CG 3.47Å; Y748-K752 PolarHBondContact O-N 3.3Å; Y748-K752 WeakPolarHBondContact OH-CE 3.21Å; Y748-K752 PolarHBondContact OH-NZ 3.32Å; Y748-L833 HydrophobicContact CD2-CD1 4.06Å; Y748-L833 HydrophobicContact CG-CD1 3.91Å
749A98.3Very high96.4Very high0 Ų017.6 Ų17.60%08%0.075CC..Hα-helixtrans-59.5-43.2175.700000112.4Y423 I714 M745 H746 K752 G753 L754Y423-A749 HydrophobicContact CE2-CB 4.37Å; I714-A749 HydrophobicContact CD1-CB 4.35Å; I714-A749 HydrophobicContact CG2-CB 4.06Å; M745-A749 WeakPolarHBondContact O-CB 3.49Å; M745-A749 PolarHBondContact O-N 3.4Å; H746-A749 PolarHBondContact O-N 3.25Å; A749-K752 PolarHBondContact O-N 3.12Å; A749-G753 PolarHBondContact O-N 2.86Å; A749-L754 HydrophobicContact CB-CD1 3.95Å; A749-L754 WeakPolarHBondContact O-CB 3.41Å; A749-L754 PolarHBondContact O-N 3.02Å
750W98.4Very high96.6Very high33 Ų3317.7 Ų17.713%0.1258%0.076CC..Hα-helixtrans-62.3-49.8176173.163.9000112D352 M355 R356 Y423 H746 F747 Y748 K752 G753D352-W750 HydrophobicContact CB-CZ2 4.4Å; D352-W750 PolarHBondContact OD1-NE1 2.91Å; M355-W750 HydrophobicContact CB-CD2 3.71Å; M355-W750 HydrophobicContact CB-CE3 4.09Å; M355-W750 HydrophobicContact CB-CG 4.21Å; M355-W750 HydrophobicContact CB-CH2 4.13Å; M355-W750 HydrophobicContact CB-CZ2 3.74Å; M355-W750 HydrophobicContact CB-CZ3 4.29Å; M355-W750 HydrophobicContact CE-CB 4.01Å; M355-W750 HydrophobicContact CE-CD2 4.31Å; M355-W750 HydrophobicContact CE-CE3 4.49Å; M355-W750 HydrophobicContact CE-CG 4.08Å; M355-W750 HydrophobicContact CG-CD2 4.05Å; M355-W750 HydrophobicContact CG-CG 4Å; R356-W750 HydrophobicContact CG-CH2 3.78Å; R356-W750 HydrophobicContact CG-CZ2 3.98Å; Y423-W750 HydrophobicContact CD1-CB 4.42Å; Y423-W750 AromaticContact CD1-CD1 3.84Å; Y423-W750 HydrophobicContact CD1-CG 4.45Å; Y423-W750 HydrophobicContact CE1-CB 3.86Å; Y423-W750 HydrophobicContact CE1-CG 4.25Å; Y423-W750 HydrophobicContact CE2-CB 4Å; H746-W750 WeakPolarHBondContact O-CB 3.49Å; H746-W750 PolarHBondContact O-N 2.79Å; F747-W750 AromaticContact CD1-CE3 3.9Å; F747-W750 HydrophobicContact CD1-CE3 3.9Å; F747-W750 HydrophobicContact CD1-CZ3 4.17Å; F747-W750 HydrophobicContact CE1-CE3 4.28Å; F747-W750 HydrophobicContact CE1-CZ3 4.34Å; Y748-W750 VanDerWaalsContact C-N 3.34Å; Y748-W750 PolarHBondContact O-N 3.25Å; W750-K752 PolarHBondContact O-N 3.21Å; W750-G753 WeakPolarHBondContact O-CA 3.33Å; W750-G753 PolarHBondContact O-N 3.42Å
751R97.8Very high96.8Very high113 Ų11318 Ų1843%0.4268%0.077SC..Hα-helixtrans-64.1-26.8177.5-70.3177.9-168.1149.6-7.6112.9E359 F747 Y748 G753E359-R751 IonicContact OE1-CZ 3.8Å; E359-R751 VanDerWaalsContact OE1-CZ 3.24Å; E359-R751 IonicContact OE1-NE 3.78Å; E359-R751 PolarHBondContact OE1-NE 3.35Å; E359-R751 VanDerWaalsContact OE1-NE 3.13Å; E359-R751 IonicContact OE1-NH2 3.3Å; E359-R751 PolarHBondContact OE1-NH2 3.45Å; F747-R751 WeakPolarHBondContact O-CB 3.43Å; F747-R751 VanDerWaalsContact O-CG 3.25Å; F747-R751 WeakPolarHBondContact O-CG 3.44Å; F747-R751 PolarHBondContact O-N 2.84Å; Y748-R751 PolarHBondContact O-N 2.7Å; R751-G753 PolarHBondContact O-N 3.4Å
752K97.5Very high96.9Very high89 Ų8921.9 Ų21.939%0.3879%0.091SC..THydrogen-bonded Turntrans-74.1-4.3169.7-71-64.8-173.1-1800113.3W588 I714 A718 Y748 A749 W750 L754W588-K752 WeakPolarHBondContact CZ3-O 3.48Å; I714-K752 HydrophobicContact CG2-CG 4.49Å; A718-K752 HydrophobicContact CB-CB 4.13Å; A718-K752 HydrophobicContact CB-CG 4.45Å; Y748-K752 HydrophobicContact CD1-CG 4.45Å; Y748-K752 HydrophobicContact CE1-CG 4.15Å; Y748-K752 WeakPolarHBondContact O-CB 3.32Å; Y748-K752 VanDerWaalsContact O-CG 3.3Å; Y748-K752 WeakPolarHBondContact O-CG 3.47Å; Y748-K752 PolarHBondContact O-N 3.3Å; Y748-K752 WeakPolarHBondContact OH-CE 3.21Å; Y748-K752 PolarHBondContact OH-NZ 3.32Å; A749-K752 PolarHBondContact O-N 3.12Å; W750-K752 PolarHBondContact O-N 3.21Å; K752-L754 VanDerWaalsContact C-N 3.33Å
753G97.7Very high96.6Very high12 Ų1224.8 Ų24.812%0.12411%0.109CC..THydrogen-bonded Turntrans72.822.9177.600000113.6K430 W588 A749 W750 R751K430-G753 PolarHBondContact NZ-O 3.28Å; W588-G753 WeakPolarHBondContact CH2-O 3.31Å; A749-G753 PolarHBondContact O-N 2.86Å; W750-G753 WeakPolarHBondContact O-CA 3.33Å; W750-G753 PolarHBondContact O-N 3.42Å; R751-G753 PolarHBondContact O-N 3.4Å
754L98.6Very high95.8Very high2 Ų227.6 Ų27.61%0.0112%0.119CC..  trans-60155.6176.3-69.9-178.1000111.3Y423 S426 W588 I714 A717 A718 A721 L730 A749 K752Y423-L754 WeakPolarHBondContact CD2-O 3.47Å; S426-L754 WeakPolarHBondContact CB-O 3.3Å; S426-L754 PolarHBondContact OG-O 3.27Å; W588-L754 HydrophobicContact CH2-CD2 4.33Å; I714-L754 HydrophobicContact CG2-CD1 3.89Å; A717-L754 HydrophobicContact CB-CD1 4.04Å; A717-L754 HydrophobicContact CB-CD2 4.21Å; A718-L754 HydrophobicContact CB-CD2 4.16Å; A721-L754 HydrophobicContact CB-CD2 4.1Å; L730-L754 HydrophobicContact CD2-CD1 3.91Å; A749-L754 HydrophobicContact CB-CD1 3.95Å; A749-L754 WeakPolarHBondContact O-CB 3.41Å; A749-L754 PolarHBondContact O-N 3.02Å; K752-L754 VanDerWaalsContact C-N 3.33Å
755K98.7Very high94.5Very high9 Ų932.4 Ų32.44%0.03915%0.151CC..SBendtrans-86.2-47.5173.1-69.5173.2176.8173.30110.7L422 Y423 K430 I724 D725 Q726 S727L422-K755 WeakPolarHBondContact CA-O 3.4Å; Y423-K755 PolarHBondContact N-O 2.93Å; K430-K755 VanDerWaalsContact CB-CE 3.5Å; K430-K755 WeakPolarHBondContact O-CE 3.34Å; K430-K755 PolarHBondContact O-NZ 2.89Å; I724-K755 PolarHBondContact O-NZ 3.13Å; D725-K755 PolarHBondContact O-NZ 3.24Å; Q726-K755 WeakPolarHBondContact O-CD 3.43Å; Q726-K755 WeakPolarHBondContact O-CE 3.47Å; Q726-K755 PolarHBondContact O-NZ 2.8Å; S727-K755 WeakPolarHBondContact OG-CB 3.44Å
756T98.5Very high92.6Very high1 Ų137.9 Ų37.91%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-100.3119.7171.4-59.20000109.3L422 T446 S727 Q728 L730L422-T756 HydrophobicContact CG-CG2 4.45Å; T446-T756 PolarHBondContact O-OG1 2.87Å; S727-T756 PolarHBondContact OG-N 3.1Å; S727-T756 PolarHBondContact OG-OG1 3.37Å; Q728-T756 WeakPolarHBondContact O-CB 3.48Å; Q728-T756 PolarHBondContact O-OG1 2.89Å; L730-T756 HydrophobicContact CB-CG2 4.26Å
757G97.3Very high90.4Very high0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans-80.3-43.7171.700000111.8M421 Y423M421-G757 WeakPolarHBondContact O-CA 3.41Å; M421-G757 PolarHBondContact O-N 2.91Å; Y423-G757 VanDerWaalsContact CE2-CA 3.44Å
758M97.7Very high88.4Confident0 Ų046.1 Ų46.10%025%0.251CS..EExtended strand (participates in β ladder)trans-157.6128.9178.6-173.1-17078.800111.2Q413 P419 F420 M421 L730 L732 L761Q413-M758 HydrophobicContact CG-CE 3.9Å; P419-M758 WeakPolarHBondContact O-CE 3.42Å; F420-M758 WeakPolarHBondContact CA-O 3.49Å; M421-M758 HydrophobicContact CB-CB 4.22Å; M421-M758 HydrophobicContact CG-CB 4.36Å; M421-M758 HydrophobicContact CG-CE 4.43Å; M421-M758 PolarHBondContact N-O 3.49Å; M421-M758 PolarHBondContact O-N 3.29Å; M421-M758 VanDerWaalsContact O-N 3.1Å; L730-M758 CarbonylContact O-C 3.59Å; L730-M758 WeakPolarHBondContact O-CA 3.33Å; L732-M758 HydrophobicContact CB-CG 4.37Å; L732-M758 HydrophobicContact CD1-CB 4.18Å; L732-M758 HydrophobicContact CD1-CG 4.1Å; L732-M758 HydrophobicContact CG-CG 4.15Å; M758-L761 HydrophobicContact CE-CB 4.25Å; M758-L761 HydrophobicContact SD-CB 3.65Å; M758-L761 PolarHBondContact SD-N 3.48Å; M758-L761 VanDerWaalsContact SD-N 3.44Å
759Y96.8Very high86.3Confident17 Ų1749.3 Ų49.37%0.06728%0.276CS..SBendtrans-79.3-74.8164.9179.8-151.2000109.4F420 L444 T446 P625 L730 N731F420-Y759 HydrophobicContact CD1-CD2 4.22Å; F420-Y759 WeakPolarHBondContact CD1-O 3.24Å; F420-Y759 HydrophobicContact CD2-CD2 4.11Å; F420-Y759 HydrophobicContact CD2-CE2 4.25Å; F420-Y759 HydrophobicContact CE1-CD2 4.04Å; F420-Y759 HydrophobicContact CE1-CE2 4.02Å; F420-Y759 WeakPolarHBondContact CE1-O 3.37Å; F420-Y759 AromaticContact CE2-CD2 3.97Å; F420-Y759 HydrophobicContact CE2-CD2 3.97Å; F420-Y759 AromaticContact CE2-CE2 3.64Å; F420-Y759 HydrophobicContact CE2-CE2 3.64Å; F420-Y759 HydrophobicContact CG-CD2 4.24Å; F420-Y759 WeakPolarHBondContact CG-O 3.49Å; F420-Y759 AromaticContact CZ-CD2 3.91Å; F420-Y759 HydrophobicContact CZ-CD2 3.91Å; F420-Y759 AromaticContact CZ-CE2 3.49Å; F420-Y759 HydrophobicContact CZ-CE2 3.49Å; F420-Y759 VanDerWaalsContact CZ-CE2 3.49Å; L444-Y759 WeakPolarHBondContact O-CE2 3.29Å; L444-Y759 PolarHBondContact O-OH 2.91Å; T446-Y759 HydrophobicContact CG2-CD2 3.61Å; T446-Y759 HydrophobicContact CG2-CE2 4.27Å; T446-Y759 HydrophobicContact CG2-CG 4.3Å; T446-Y759 WeakPolarHBondContact OG1-CB 3.06Å; P625-Y759 HydrophobicContact CG-CD1 4.44Å; P625-Y759 HydrophobicContact CG-CE1 3.82Å; L730-Y759 PolarHBondContact O-N 3.01Å; N731-Y759 VanDerWaalsContact OD1-CD1 3.24Å; N731-Y759 WeakPolarHBondContact OD1-CD1 3.46Å
760Y93.3Very high84.4Confident24 Ų2455.3 Ų55.39%0.09431%0.307CS..  trans-116.5147.9168.2-68.9-76.7000112.4F345 F420 N731 L732F345-Y760 HydrophobicContact CD1-CE1 4.29Å; F345-Y760 WeakPolarHBondContact CD1-OH 3.43Å; F345-Y760 HydrophobicContact CE1-CE1 4.36Å; F345-Y760 WeakPolarHBondContact CE1-OH 3.39Å; F420-Y760 AromaticContact CE1-CD1 3.8Å; F420-Y760 HydrophobicContact CE1-CD1 3.8Å; F420-Y760 AromaticContact CE1-CE1 3.38Å; F420-Y760 HydrophobicContact CE1-CE1 3.38Å; F420-Y760 HydrophobicContact CE1-CE2 4.41Å; F420-Y760 HydrophobicContact CE1-CG 4.44Å; F420-Y760 AromaticContact CE1-CZ 3.68Å; F420-Y760 AromaticContact CZ-CE1 3.86Å; F420-Y760 HydrophobicContact CZ-CE1 3.86Å; F420-Y760 HydrophobicContact CZ-CE2 4.43Å; F420-Y760 AromaticContact CZ-CZ 3.7Å; N731-Y760 WeakPolarHBondContact CA-O 3.36Å; N731-Y760 WeakPolarHBondContact OD1-CB 3.37Å; N731-Y760 PolarHBondContact OD1-N 3.33Å; L732-Y760 PolarHBondContact N-O 3.22Å
761L95.6Very high82.8Confident6 Ų656.5 Ų56.53%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-83.9124.2152.3-174.968.2000108.6Q413 G417 L732 L734 P737 I742 M745 M758 T763Q413-L761 HydrophobicContact CB-CD2 4.28Å; G417-L761 PolarHBondContact O-N 2.87Å; L732-L761 HydrophobicContact CB-CD1 4.41Å; L732-L761 CarbonylContact O-C 3.51Å; L732-L761 WeakPolarHBondContact O-CA 3.24Å; L734-L761 HydrophobicContact CB-CD1 4.41Å; L734-L761 HydrophobicContact CD1-CD1 4.24Å; L734-L761 HydrophobicContact CG-CD1 4.24Å; P737-L761 HydrophobicContact CB-CD2 4.18Å; I742-L761 HydrophobicContact CD1-CD2 3.69Å; I742-L761 HydrophobicContact CG1-CD2 4.31Å; M745-L761 HydrophobicContact CE-CD1 4.45Å; M758-L761 HydrophobicContact CE-CB 4.25Å; M758-L761 HydrophobicContact SD-CB 3.65Å; M758-L761 PolarHBondContact SD-N 3.48Å; M758-L761 VanDerWaalsContact SD-N 3.44Å; L761-T763 HydrophobicContact CD2-CG2 4.11Å; L761-T763 HydrophobicContact CG-CG2 4.05Å
762R93.2Very high80.9Confident114 Ų11459.7 Ų59.743%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-107.6129.4173.9-62.3-63.6-170.4178.7-0.6109.3W706 L732 H733 L734W706-R762 HydrophobicContact CH2-CB 4.34Å; L732-R762 PolarHBondContact O-N 3.28Å; H733-R762 WeakPolarHBondContact CA-O 3.44Å; H733-R762 WeakPolarHBondContact CD2-CB 3.42Å; L734-R762 PolarHBondContact N-O 2.95Å
763T88.1Confident79.1Confident61 Ų6161 Ų6137%0.37435%0.35SS..EExtended strand (participates in β ladder)trans-124.2162.3-177.362.10000111.1L734 P737 L761L734-T763 VanDerWaalsContact O-CA 3.3Å; L734-T763 WeakPolarHBondContact O-CA 3.25Å; P737-T763 HydrophobicContact CB-CG2 4.16Å; P737-T763 HydrophobicContact CG-CG2 3.68Å; L761-T763 HydrophobicContact CD2-CG2 4.11Å; L761-T763 HydrophobicContact CG-CG2 4.05Å
764R80.7Confident77.2Confident58 Ų5861.5 Ų61.522%0.21935%0.351CS..  trans-92.1150.1169-73.4-169.9177.8-178.44.2110W706 A735W706-R764 HydrophobicContact CD2-CG 4.13Å; W706-R764 HydrophobicContact CE3-CG 3.92Å; W706-R764 HydrophobicContact CH2-CG 3.92Å; W706-R764 HydrophobicContact CZ2-CG 4.12Å; W706-R764 HydrophobicContact CZ3-CG 3.82Å; A735-R764 HydrophobicContact CB-CG 4.27Å; A735-R764 PolarHBondContact O-N 3.36Å
765P67.1Low75.5Confident104 Ų10465.8 Ų65.868%0.67537%0.374SS*.  trans-55.5141.5171-22.132.7000111.3A767P765-A767 VanDerWaalsContact C-N 3.26Å; P765-A767 PolarHBondContact O-N 2.85Å
766A56.6Low73.9Confident118 Ų11872.6 Ų72.698%0.97540%0.403SS*.SBendtrans-68-25.5-179.500000113.5
767A50.3Low72.3Confident77 Ų7776.9 Ų76.964%0.63643%0.43SS*.SBendtrans-122.3135.117800000110.6P765P765-A767 VanDerWaalsContact C-N 3.26Å; P765-A767 PolarHBondContact O-N 2.85Å
768D57Low70.5Confident98 Ų9878.7 Ų78.752%0.52444%0.439SS..  trans-72.9133.8176.9-82.22.5000110.6Q685 I770Q685-D768 VanDerWaalsContact NE2-CG 3.26Å; Q685-D768 PolarHBondContact NE2-OD1 2.99Å; Q685-D768 PolarHBondContact NE2-OD2 2.73Å; D768-I770 PolarHBondContact O-N 2.76Å
769P53Low68.5Low99 Ų9981.4 Ų81.464%0.64345%0.453SS*.  trans-60.3136.5168.82.81.4000109.7K771P769-K771 WeakPolarHBondContact O-CG 3.5Å; P769-K771 PolarHBondContact O-N 2.86Å
770I58.6Low66.6Low127 Ų12790.3 Ų90.365%0.65149%0.487SS*.  trans-61.9113.5176.8-57.7173.2000108.8D768 F772D768-I770 PolarHBondContact O-N 2.76Å; I770-F772 VanDerWaalsContact C-N 3.3Å; I770-F772 HydrophobicContact CB-CD2 4.09Å; I770-F772 HydrophobicContact CB-CE1 4.5Å; I770-F772 HydrophobicContact CB-CE2 3.59Å; I770-F772 HydrophobicContact CB-CZ 3.82Å; I770-F772 HydrophobicContact CD1-CE2 4.48Å; I770-F772 HydrophobicContact CD1-CZ 4.05Å; I770-F772 HydrophobicContact CG2-CD1 3.93Å; I770-F772 HydrophobicContact CG2-CD2 3.87Å; I770-F772 HydrophobicContact CG2-CE1 3.65Å; I770-F772 HydrophobicContact CG2-CE2 3.58Å; I770-F772 HydrophobicContact CG2-CG 4.04Å; I770-F772 HydrophobicContact CG2-CZ 3.46Å; I770-F772 VanDerWaalsContact CG2-CZ 3.46Å; I770-F772 WeakPolarHBondContact O-CD2 3.36Å; I770-F772 PolarHBondContact O-N 3.13Å
771K63.8Low65Low57 Ų5795 Ų9525%0.24852%0.518CS..  trans-81.568.4-177.1-58.5179-173.9-177.50111.2V682 L683 P769 S773 V774V682-K771 PolarHBondContact O-NZ 2.88Å; L683-K771 HydrophobicContact CD2-CD 3.98Å; L683-K771 PolarHBondContact O-NZ 3.13Å; P769-K771 WeakPolarHBondContact O-CG 3.5Å; P769-K771 PolarHBondContact O-N 2.86Å; K771-S773 PolarHBondContact O-N 3.21Å; K771-V774 HydrophobicContact CB-CB 4.36Å; K771-V774 HydrophobicContact CB-CG2 4.11Å; K771-V774 PolarHBondContact O-N 3.14Å
772F59.2Low63.4Low181 Ų18196.5 Ų96.579%0.79453%0.525SS*.THydrogen-bonded Turntrans-58.5-28.4-175.9-67.6-79.7000114.8I770 V774I770-F772 VanDerWaalsContact C-N 3.3Å; I770-F772 HydrophobicContact CB-CD2 4.09Å; I770-F772 HydrophobicContact CB-CE1 4.5Å; I770-F772 HydrophobicContact CB-CE2 3.59Å; I770-F772 HydrophobicContact CB-CZ 3.82Å; I770-F772 HydrophobicContact CD1-CE2 4.48Å; I770-F772 HydrophobicContact CD1-CZ 4.05Å; I770-F772 HydrophobicContact CG2-CD1 3.93Å; I770-F772 HydrophobicContact CG2-CD2 3.87Å; I770-F772 HydrophobicContact CG2-CE1 3.65Å; I770-F772 HydrophobicContact CG2-CE2 3.58Å; I770-F772 HydrophobicContact CG2-CG 4.04Å; I770-F772 HydrophobicContact CG2-CZ 3.46Å; I770-F772 VanDerWaalsContact CG2-CZ 3.46Å; I770-F772 WeakPolarHBondContact O-CD2 3.36Å; I770-F772 PolarHBondContact O-N 3.13Å; F772-V774 VanDerWaalsContact C-N 3.34Å
773S59.3Low61.4Low117 Ų11792.3 Ų92.382%0.81851%0.513SS*.THydrogen-bonded Turntrans-86.2-1.4-175.754.80000114.4K771K771-S773 PolarHBondContact O-N 3.21Å
774V57.5Low59Low22 Ų2296.3 Ų96.313%0.13353%0.532CS..SBendtrans-107.8119.7-173.5-176.30000110.8T679 L683 K771 F772 K776T679-V774 HydrophobicContact CG2-CG1 3.33Å; L683-V774 HydrophobicContact CD1-CG1 3.45Å; L683-V774 VanDerWaalsContact CD1-CG1 3.45Å; L683-V774 HydrophobicContact CD2-CB 4.16Å; L683-V774 HydrophobicContact CD2-CG1 3.58Å; L683-V774 HydrophobicContact CG-CG1 3.59Å; K771-V774 HydrophobicContact CB-CB 4.36Å; K771-V774 HydrophobicContact CB-CG2 4.11Å; K771-V774 PolarHBondContact O-N 3.14Å; F772-V774 VanDerWaalsContact C-N 3.34Å; V774-K776 PolarHBondContact O-N 3Å; V774-K776 VanDerWaalsContact O-N 3.14Å
775D63.9Low56.8Low92 Ų9298.1 Ų98.149%0.49255%0.553SS.*  trans-67.7109172.5-171.1-13.6000110.3T777 I778D775-T777 PolarHBondContact O-N 2.63Å; D775-T777 WeakPolarHBondContact OD1-CB 3.29Å; D775-T777 WeakPolarHBondContact OD1-CG2 3.44Å; D775-T777 PolarHBondContact OD1-N 2.99Å; D775-T777 PolarHBondContact OD1-OG1 2.92Å; D775-T777 PolarHBondContact OD2-OG1 3.09Å; D775-I778 HydrophobicContact CB-CD1 4.24Å; D775-I778 HydrophobicContact CB-CG1 4.43Å
776K64.4Low55Low152 Ų15299.6 Ų99.666%0.66156%0.56SS**G310 helixtrans-70.9-14.7-179.3-65.4-174179.4-176.60113.3V774 I778 L779V774-K776 PolarHBondContact O-N 3Å; V774-K776 VanDerWaalsContact O-N 3.14Å; K776-I778 PolarHBondContact O-N 2.99Å; K776-L779 WeakPolarHBondContact O-CB 3.4Å; K776-L779 PolarHBondContact O-N 3.01Å
777T64.3Low53.6Low91 Ų91100.3 Ų100.356%0.55855%0.553SS**G310 helixtrans-65.7-29.117960.90000112D775 L779 R780D775-T777 PolarHBondContact O-N 2.63Å; D775-T777 WeakPolarHBondContact OD1-CB 3.29Å; D775-T777 WeakPolarHBondContact OD1-CG2 3.44Å; D775-T777 PolarHBondContact OD1-N 2.99Å; D775-T777 PolarHBondContact OD1-OG1 2.92Å; D775-T777 PolarHBondContact OD2-OG1 3.09Å; T777-L779 VanDerWaalsContact C-N 3.27Å; T777-L779 PolarHBondContact O-N 3.44Å; T777-R780 PolarHBondContact O-N 3.31Å
778I60.6Low52.4Low37 Ų37106.1 Ų106.119%0.1956%0.564CS.*G310 helixtrans-61.5-33.1176.4-58.6176.6000111.7E676 T679 D775 K776 R780 V781 L782E676-I778 HydrophobicContact CB-CG2 3.93Å; E676-I778 HydrophobicContact CG-CD1 4.46Å; E676-I778 HydrophobicContact CG-CG2 4.24Å; T679-I778 HydrophobicContact CG2-CD1 4.39Å; D775-I778 HydrophobicContact CB-CD1 4.24Å; D775-I778 HydrophobicContact CB-CG1 4.43Å; K776-I778 PolarHBondContact O-N 2.99Å; I778-R780 VanDerWaalsContact C-N 3.33Å; I778-R780 PolarHBondContact O-N 2.92Å; I778-V781 PolarHBondContact O-N 3.01Å; I778-L782 HydrophobicContact CG2-CD1 4.44Å
779L55.9Low50.9Low57 Ų57107.7 Ų107.730%0.29858%0.577SS.*Hα-helixtrans-59-41.7179.3-114.7120.4000112.4L683 K776 T777 V781 L782 T783L683-L779 HydrophobicContact CB-CD1 4.09Å; L683-L779 HydrophobicContact CD1-CD1 3.24Å; L683-L779 HydrophobicContact CD1-CG 4.17Å; L683-L779 HydrophobicContact CD2-CD1 3.79Å; L683-L779 HydrophobicContact CG-CD1 3.87Å; K776-L779 WeakPolarHBondContact O-CB 3.4Å; K776-L779 PolarHBondContact O-N 3.01Å; T777-L779 VanDerWaalsContact C-N 3.27Å; T777-L779 PolarHBondContact O-N 3.44Å; L779-V781 PolarHBondContact O-N 3.25Å; L779-L782 PolarHBondContact O-N 3.01Å; L779-T783 HydrophobicContact CD2-CG2 4.45Å; L779-T783 VanDerWaalsContact CD2-OG1 3.3Å; L779-T783 WeakPolarHBondContact CD2-OG1 3.37Å; L779-T783 PolarHBondContact O-N 2.85Å; L779-T783 PolarHBondContact O-OG1 3.35Å
780R56.5Low49.6Very low205 Ų205110.5 Ų110.577%0.77459%0.587SS**Hα-helixtrans-60.5-20.6-174-73.3-174.5177.1175.5-0.7112.7T777 I778T777-R780 PolarHBondContact O-N 3.31Å; I778-R780 VanDerWaalsContact C-N 3.33Å; I778-R780 PolarHBondContact O-N 2.92Å
781V59.9Low47.9Very low123 Ų123113.2 Ų113.275%0.74560%0.597SS**Hα-helixtrans-86.2-23.7179.2-176.30000112.2I778 L779I778-V781 PolarHBondContact O-N 3.01Å; L779-V781 PolarHBondContact O-N 3.25Å
782L61.2Low46.2Very low37 Ų37116.4 Ų116.419%0.19462%0.623CS.*Hα-helixtrans-120.6-2.1-165.2-67.1175.4000115.8A680 D692 I778 L779A680-L782 HydrophobicContact CB-CD1 3.97Å; D692-L782 WeakPolarHBondContact CB-O 3.34Å; D692-L782 PolarHBondContact N-O 3.43Å; I778-L782 HydrophobicContact CG2-CD1 4.44Å; L779-L782 PolarHBondContact O-N 3.01Å
783T50.9Low44.7Very low26 Ų26117.4 Ų117.416%0.1663%0.63CS.*  trans-147.331.4-167.552.10000114.8L779 S785L779-T783 HydrophobicContact CD2-CG2 4.45Å; L779-T783 VanDerWaalsContact CD2-OG1 3.3Å; L779-T783 WeakPolarHBondContact CD2-OG1 3.37Å; L779-T783 PolarHBondContact O-N 2.85Å; L779-T783 PolarHBondContact O-OG1 3.35Å; T783-S785 VanDerWaalsContact C-N 3.28Å; T783-S785 PolarHBondContact O-N 3.12Å
784D37.8Very low43.3Very low145 Ų145118.8 Ų118.878%0.77563%0.629SS**  trans-63.582-175-1120.1000112.7
785S34.4Very low41.9Very low95 Ų95124.6 Ų124.666%0.66466%0.659SS**  trans-148.7108.7163.741.80000110.3T783T783-S785 VanDerWaalsContact C-N 3.28Å; T783-S785 PolarHBondContact O-N 3.12Å
786T29.4Very low40.5Very low135 Ų135127.6 Ų127.683%0.82868%0.675SS**  trans-39.9122-178.343.30000116.6
787T27.5Very low39.2Very low134 Ų134126.2 Ų126.282%0.82268%0.684SS**  trans-125.2106.3156.124.80000109.2
788K25.3Very low38.3Very low199 Ų199127.1 Ų127.187%0.86568%0.684SS**  trans-83.2113173.5-72.1-175177.6-179.20108.6
789T26.3Very low37.6Very low131 Ų131130.1 Ų130.180%0.80470%0.701SS**PPolyproline II helixtrans-83.1117.817243.50000109.5
790N24.3Very low37.1Very low158 Ų158135.2 Ų135.285%0.84572%0.723SS**PPolyproline II helixtrans-86.3124.4169.6-77.6-17.4000109.2
791E24.1Very low36.8Very low184 Ų184130.1 Ų130.186%0.8672%0.715SS**PPolyproline II helixtrans-78.2140.8172.9-76.4180154.600111.1
792P28.3Very low36.6Very low124 Ų124128.3 Ų128.381%0.80570%0.704SS**PPolyproline II helixtrans-89.1133.4179.930-23.1000111.9
793Q26.6Very low36.3Very low201 Ų201131.6 Ų131.694%0.93972%0.718SS**PPolyproline II helixtrans-88.7117.1171.6-78.6-177-24.100110.5
794N29.9Very low36.8Very low147 Ų147132.6 Ų132.679%0.78673%0.729SS**PPolyproline II helixtrans-83.3142.2166.6-92.3-13.8000110.8
795N28.9Very low38.3Very low144 Ų144131.2 Ų131.277%0.7772%0.721SS**  154.4113.8122.6-84.9-17.2000108.6
796D34.6Very low40.1Very low155 Ų155130.2 Ų130.283%0.82971%0.705SS**  trans-154.1137.5143-90.7-34.5000109.3
797S35.9Very low41.8Very low122 Ų122129.5 Ų129.585%0.85369%0.693SS**  trans-76117.9-175.553.30000110.6
798I47Very low43.8Very low110 Ų110128.1 Ų128.156%0.56468%0.68SS**  trans-114139.2-172.6-62.7169.2000110.7E803I798-E803 HydrophobicContact CG2-CB 4.15Å
799D44.2Very low46.1Very low100 Ų100124 Ų12454%0.53566%0.659SS.*  trans-69.3126.8175.1179.5-20000110.5T801 V802 E803D799-T801 PolarHBondContact O-N 3.27Å; D799-T801 PolarHBondContact OD1-N 3.08Å; D799-T801 VanDerWaalsContact OD1-N 3.1Å; D799-T801 PolarHBondContact OD1-OG1 2.69Å; D799-T801 VanDerWaalsContact OD1-OG1 3.04Å; D799-V802 HydrophobicContact CB-CG2 4.29Å; D799-V802 PolarHBondContact O-N 3.41Å; D799-E803 PolarHBondContact O-N 3.3Å
800Q46.4Very low48.2Very low165 Ų165121.5 Ų121.577%0.77164%0.64SS**Hα-helixtrans-55-24.9-174.5-68.2-179.6-21.900113.9A804Q800-A804 PolarHBondContact O-N 2.54Å
801T49.4Very low50.5Low98 Ų98117.4 Ų117.460%0.60162%0.617SS**Hα-helixtrans-79.3-35.8179.4-260000112.1D799D799-T801 PolarHBondContact O-N 3.27Å; D799-T801 PolarHBondContact OD1-N 3.08Å; D799-T801 VanDerWaalsContact OD1-N 3.1Å; D799-T801 PolarHBondContact OD1-OG1 2.69Å; D799-T801 VanDerWaalsContact OD1-OG1 3.04Å
802V56.1Low52.7Low85 Ų85114.8 Ų114.852%0.51561%0.605SS.*Hα-helixtrans-73.8-37.3175.7179.10000109.9D799 I805 E806D799-V802 HydrophobicContact CB-CG2 4.29Å; D799-V802 PolarHBondContact O-N 3.41Å; V802-I805 PolarHBondContact O-N 3.13Å; V802-E806 WeakPolarHBondContact O-CB 3.24Å; V802-E806 PolarHBondContact O-N 3.3Å
803E55.6Low54.8Low106 Ų106112.2 Ų112.250%0.49558%0.582SS.*Hα-helixtrans-60.2-46.2177-160.4170.9-160.100111.5I798 D799 I805 E806 E807I798-E803 HydrophobicContact CG2-CB 4.15Å; D799-E803 PolarHBondContact O-N 3.3Å; E803-I805 PolarHBondContact O-N 3.3Å; E803-E806 PolarHBondContact O-N 2.65Å; E803-E807 WeakPolarHBondContact O-CB 3.24Å; E803-E807 PolarHBondContact O-N 2.66Å
804A61.7Low57Low47 Ų47106.4 Ų106.439%0.38856%0.556SS.*Hα-helixtrans-63.8-38.6178.400000113.5Q800 L808Q800-A804 PolarHBondContact O-N 2.54Å; A804-L808 WeakPolarHBondContact O-CB 3.35Å; A804-L808 VanDerWaalsContact O-CG 3.27Å; A804-L808 WeakPolarHBondContact O-CG 3.28Å; A804-L808 PolarHBondContact O-N 3.08Å
805I68.3Low59.1Low115 Ų115103.3 Ų103.359%0.5954%0.537SS*.Hα-helixtrans-70.5-43.9177.5-66.2171.9000110.6V802 E803 E807 L808 R809V802-I805 PolarHBondContact O-N 3.13Å; E803-I805 PolarHBondContact O-N 3.3Å; I805-E807 VanDerWaalsContact C-N 3.34Å; I805-L808 PolarHBondContact O-N 2.76Å; I805-R809 WeakPolarHBondContact O-CB 3.25Å; I805-R809 PolarHBondContact O-N 2.73Å
806E71.3Confident61.3Low74 Ų74102.9 Ų102.935%0.34653%0.529SS..Hα-helixtrans-68.9-35.9179-17161.3-168.600111.2V802 E803 R809 I810V802-E806 WeakPolarHBondContact O-CB 3.24Å; V802-E806 PolarHBondContact O-N 3.3Å; E803-E806 PolarHBondContact O-N 2.65Å; E806-R809 PolarHBondContact O-N 3.13Å; E806-R809 IonicContact OE1-CZ 3.86Å; E806-R809 IonicContact OE1-NE 2.76Å; E806-R809 PolarHBondContact OE1-NE 3.04Å; E806-R809 IonicContact OE1-NH2 3.36Å; E806-R809 PolarHBondContact OE1-NH2 3.43Å; E806-R809 IonicContact OE2-CZ 2.69Å; E806-R809 IonicContact OE2-NE 3.24Å; E806-R809 PolarHBondContact OE2-NE 3.11Å; E806-R809 IonicContact OE2-NH2 3.13Å; E806-I810 HydrophobicContact CG-CD1 3.92Å; E806-I810 HydrophobicContact CG-CG1 4.44Å; E806-I810 WeakPolarHBondContact O-CB 3.29Å; E806-I810 WeakPolarHBondContact O-CG1 3.32Å; E806-I810 PolarHBondContact O-N 2.83Å
807E65.4Low63.2Low120 Ų120102.9 Ų102.956%0.56152%0.517SS*.Hα-helixtrans-63.1-45.6172.8-169.1173.9-160.500110.8E803 I805 R809 I810 I811E803-E807 WeakPolarHBondContact O-CB 3.24Å; E803-E807 PolarHBondContact O-N 2.66Å; I805-E807 VanDerWaalsContact C-N 3.34Å; E807-R809 PolarHBondContact O-N 3.37Å; E807-I810 PolarHBondContact O-N 3.05Å; E807-I811 HydrophobicContact CG-CD1 4.01Å; E807-I811 WeakPolarHBondContact O-CB 3.36Å; E807-I811 WeakPolarHBondContact O-CD1 3.33Å; E807-I811 WeakPolarHBondContact O-CG1 3.14Å; E807-I811 PolarHBondContact O-N 2.9Å
808L69.7Low65.3Low106 Ų10698.8 Ų98.856%0.55549%0.485SS*.Hα-helixtrans-59.7-44.6172.3-75.5168.2000112A804 I805 I811 E812A804-L808 WeakPolarHBondContact O-CB 3.35Å; A804-L808 VanDerWaalsContact O-CG 3.27Å; A804-L808 WeakPolarHBondContact O-CG 3.28Å; A804-L808 PolarHBondContact O-N 3.08Å; I805-L808 PolarHBondContact O-N 2.76Å; L808-I811 PolarHBondContact O-N 3.44Å; L808-E812 WeakPolarHBondContact O-CG 3.33Å; L808-E812 PolarHBondContact O-N 3.16Å
809R74.2Confident66.6Low113 Ų11396.7 Ų96.743%0.42648%0.475SS..Hα-helixtrans-62.5-43.1177.5-169.9179.983.986.34.3111.9I805 E806 E807 E812 E813I805-R809 WeakPolarHBondContact O-CB 3.25Å; I805-R809 PolarHBondContact O-N 2.73Å; E806-R809 PolarHBondContact O-N 3.13Å; E806-R809 IonicContact OE1-CZ 3.86Å; E806-R809 IonicContact OE1-NE 2.76Å; E806-R809 PolarHBondContact OE1-NE 3.04Å; E806-R809 IonicContact OE1-NH2 3.36Å; E806-R809 PolarHBondContact OE1-NH2 3.43Å; E806-R809 IonicContact OE2-CZ 2.69Å; E806-R809 IonicContact OE2-NE 3.24Å; E806-R809 PolarHBondContact OE2-NE 3.11Å; E806-R809 IonicContact OE2-NH2 3.13Å; E807-R809 PolarHBondContact O-N 3.37Å; R809-E812 PolarHBondContact O-N 2.62Å; R809-E813 IonicContact CZ-OE1 2.75Å; R809-E813 IonicContact NH1-OE1 3.46Å; R809-E813 PolarHBondContact NH1-OE1 2.74Å; R809-E813 PolarHBondContact O-N 3.23Å
810I70.4Confident68Low77 Ų7796.4 Ų96.440%0.39547%0.473SS..Hα-helixtrans-65.3-42.7176.6-72.2167.5000110.1E806 E807 E813 I814E806-I810 HydrophobicContact CG-CD1 3.92Å; E806-I810 HydrophobicContact CG-CG1 4.44Å; E806-I810 WeakPolarHBondContact O-CB 3.29Å; E806-I810 WeakPolarHBondContact O-CG1 3.32Å; E806-I810 PolarHBondContact O-N 2.83Å; E807-I810 PolarHBondContact O-N 3.05Å; I810-E813 PolarHBondContact O-N 3.42Å; I810-I814 HydrophobicContact CG2-CD1 3.66Å; I810-I814 HydrophobicContact CG2-CG1 4.34Å; I810-I814 WeakPolarHBondContact O-CB 3.4Å; I810-I814 WeakPolarHBondContact O-CG1 3.5Å; I810-I814 PolarHBondContact O-N 2.73Å
811I71.5Confident69.3Low73 Ų7390.4 Ų90.437%0.37445%0.45SS..Hα-helixtrans-60.3-47.1175.3-71.8164.6000110.3E807 L808 E813 I814 Q815E807-I811 HydrophobicContact CG-CD1 4.01Å; E807-I811 WeakPolarHBondContact O-CB 3.36Å; E807-I811 WeakPolarHBondContact O-CD1 3.33Å; E807-I811 WeakPolarHBondContact O-CG1 3.14Å; E807-I811 PolarHBondContact O-N 2.9Å; L808-I811 PolarHBondContact O-N 3.44Å; I811-E813 PolarHBondContact O-N 3.41Å; I811-I814 PolarHBondContact O-N 2.99Å; I811-Q815 HydrophobicContact CG2-CG 4.37Å; I811-Q815 WeakPolarHBondContact O-CB 3.44Å; I811-Q815 VanDerWaalsContact O-CG 3.28Å; I811-Q815 WeakPolarHBondContact O-CG 3.26Å; I811-Q815 PolarHBondContact O-N 3.21Å
812E71Confident70.6Confident128 Ų12885.8 Ų85.860%0.59842%0.421SS*.Hα-helixtrans-61.9-42.3176.3-75.2-179.9176.200112.1L808 R809 Q815 K816L808-E812 WeakPolarHBondContact O-CG 3.33Å; L808-E812 PolarHBondContact O-N 3.16Å; R809-E812 PolarHBondContact O-N 2.62Å; E812-Q815 PolarHBondContact O-N 2.93Å; E812-K816 VanDerWaalsContact O-CB 3.31Å; E812-K816 WeakPolarHBondContact O-CB 3.05Å; E812-K816 PolarHBondContact O-N 2.96Å
813E72.3Confident71.4Confident70 Ų7083.3 Ų83.333%0.32741%0.41SS..Hα-helixtrans-63.1-42174.8-82.1-167.5-158.500112.1R809 I810 I811 K816 R817R809-E813 IonicContact CZ-OE1 2.75Å; R809-E813 IonicContact NH1-OE1 3.46Å; R809-E813 PolarHBondContact NH1-OE1 2.74Å; R809-E813 PolarHBondContact O-N 3.23Å; I810-E813 PolarHBondContact O-N 3.42Å; I811-E813 PolarHBondContact O-N 3.41Å; E813-K816 PolarHBondContact O-N 3.47Å; E813-R817 VanDerWaalsContact O-CG 3.29Å; E813-R817 WeakPolarHBondContact O-CG 3.28Å; E813-R817 PolarHBondContact O-N 3.12Å; E813-R817 IonicContact OE2-NH2 3.14Å; E813-R817 PolarHBondContact OE2-NH2 3.19Å
814I73.8Confident72.2Confident79 Ų7981.7 Ų81.741%0.40541%0.41SS..Hα-helixtrans-65.1-47176.8-71.3167.8000110.2I810 I811 K816 R817 N818I810-I814 HydrophobicContact CG2-CD1 3.66Å; I810-I814 HydrophobicContact CG2-CG1 4.34Å; I810-I814 WeakPolarHBondContact O-CB 3.4Å; I810-I814 WeakPolarHBondContact O-CG1 3.5Å; I810-I814 PolarHBondContact O-N 2.73Å; I811-I814 PolarHBondContact O-N 2.99Å; I814-K816 PolarHBondContact O-N 3.47Å; I814-K816 VanDerWaalsContact C-N 3.31Å; I814-R817 PolarHBondContact O-N 3.1Å; I814-N818 WeakPolarHBondContact O-CB 3.23Å; I814-N818 PolarHBondContact O-N 2.75Å; I814-N818 PolarHBondContact O-ND2 3.08Å
815Q73.1Confident72.9Confident82 Ų8279.5 Ų79.538%0.38339%0.392SS..Hα-helixtrans-58-44.7176.1-76.7177.5-8.500111.1I811 E812 N818 L819I811-Q815 HydrophobicContact CG2-CG 4.37Å; I811-Q815 WeakPolarHBondContact O-CB 3.44Å; I811-Q815 VanDerWaalsContact O-CG 3.28Å; I811-Q815 WeakPolarHBondContact O-CG 3.26Å; I811-Q815 PolarHBondContact O-N 3.21Å; E812-Q815 PolarHBondContact O-N 2.93Å; Q815-N818 PolarHBondContact O-N 3.13Å; Q815-L819 WeakPolarHBondContact O-CB 3.43Å; Q815-L819 WeakPolarHBondContact O-CG 3.33Å; Q815-L819 PolarHBondContact O-N 3.41Å
816K74.5Confident73.4Confident135 Ų13574.7 Ų74.759%0.58737%0.367SS*.Hα-helixtrans-61.4-46.7175.7-173.5178.2177.6-178.50111.8E812 E813 I814 N818 L819 D820E812-K816 VanDerWaalsContact O-CB 3.31Å; E812-K816 WeakPolarHBondContact O-CB 3.05Å; E812-K816 PolarHBondContact O-N 2.96Å; E813-K816 PolarHBondContact O-N 3.47Å; I814-K816 PolarHBondContact O-N 3.47Å; I814-K816 VanDerWaalsContact C-N 3.31Å; K816-N818 VanDerWaalsContact C-N 3.3Å; K816-N818 PolarHBondContact O-N 3.31Å; K816-L819 PolarHBondContact O-N 2.78Å; K816-D820 WeakPolarHBondContact O-CB 3.35Å; K816-D820 VanDerWaalsContact O-CG 3.23Å; K816-D820 PolarHBondContact O-N 3.47Å
817R75.1Confident73.2Confident156 Ų15677.9 Ų77.959%0.58939%0.387SS*.Hα-helixtrans-61.2-38.2176-73.2174.8-165.917711.2112.3E813 I814 D820 S821E813-R817 VanDerWaalsContact O-CG 3.29Å; E813-R817 WeakPolarHBondContact O-CG 3.28Å; E813-R817 PolarHBondContact O-N 3.12Å; E813-R817 IonicContact OE2-NH2 3.14Å; E813-R817 PolarHBondContact OE2-NH2 3.19Å; I814-R817 PolarHBondContact O-N 3.1Å; R817-D820 PolarHBondContact O-N 3.49Å; R817-S821 PolarHBondContact O-N 3.06Å; R817-S821 WeakPolarHBondContact O-CB 3.26Å
818N79.2Confident73.7Confident35 Ų3576.5 Ų76.519%0.18738%0.383CS..Hα-helixtrans-68.1-42.3176.9-71.5-19.5000111.4Y407 Y739 I814 Q815 K816 S821 I822Y407-N818 HydrophobicContact CE2-CB 3.62Å; Y407-N818 PolarHBondContact OH-ND2 3.27Å; Y739-N818 HydrophobicContact CD1-CB 4.31Å; Y739-N818 HydrophobicContact CD2-CB 3.8Å; Y739-N818 VanDerWaalsContact CD2-CG 3.41Å; Y739-N818 HydrophobicContact CE1-CB 4.5Å; Y739-N818 HydrophobicContact CE2-CB 4.04Å; Y739-N818 VanDerWaalsContact CE2-CG 3.46Å; Y739-N818 WeakPolarHBondContact CE2-ND2 3.39Å; Y739-N818 HydrophobicContact CG-CB 3.96Å; I814-N818 WeakPolarHBondContact O-CB 3.23Å; I814-N818 PolarHBondContact O-N 2.75Å; I814-N818 PolarHBondContact O-ND2 3.08Å; Q815-N818 PolarHBondContact O-N 3.13Å; K816-N818 VanDerWaalsContact C-N 3.3Å; K816-N818 PolarHBondContact O-N 3.31Å; N818-S821 WeakPolarHBondContact O-CB 2.95Å; N818-S821 PolarHBondContact O-N 3.48Å; N818-I822 WeakPolarHBondContact O-CG1 3.39Å; N818-I822 PolarHBondContact O-N 3.34Å
819L75.4Confident73.3Confident67 Ų6772.8 Ų72.835%0.35137%0.365SS..Hα-helixtrans-62.6-43172.5-75167.9000111.8Y407 Q815 K816 S821 I822 A823Y407-L819 HydrophobicContact CD2-CD2 4.04Å; Y407-L819 HydrophobicContact CD2-CG 4.18Å; Q815-L819 WeakPolarHBondContact O-CB 3.43Å; Q815-L819 WeakPolarHBondContact O-CG 3.33Å; Q815-L819 PolarHBondContact O-N 3.41Å; K816-L819 PolarHBondContact O-N 2.78Å; L819-S821 VanDerWaalsContact C-N 3.28Å; L819-S821 PolarHBondContact O-N 2.77Å; L819-I822 WeakPolarHBondContact O-CB 3.43Å; L819-I822 VanDerWaalsContact O-N 3.16Å; L819-I822 PolarHBondContact O-N 3.39Å; L819-I822 HydrophobicContact CD2-CD1 4.49Å; L819-A823 PolarHBondContact O-N 3.42Å
820D72.9Confident72.7Confident93 Ų9373.8 Ų73.850%0.49738%0.375SS..Hα-helixtrans-62-38174.1-69.8-22.9000111K816 R817 A823 C824K816-D820 WeakPolarHBondContact O-CB 3.35Å; K816-D820 VanDerWaalsContact O-CG 3.23Å; K816-D820 PolarHBondContact O-N 3.47Å; R817-D820 PolarHBondContact O-N 3.49Å; D820-A823 PolarHBondContact O-N 2.95Å; D820-C824 WeakPolarHBondContact O-CB 3.38Å; D820-C824 PolarHBondContact O-N 3.2Å
821S74.8Confident71.9Confident40 Ų4071.6 Ų71.628%0.2837%0.371SS..Hα-helixtrans-65-38.7173.8-178.70000112.4G740 R817 N818 L819 S825G740-S821 WeakPolarHBondContact CA-OG 3.45Å; G740-S821 PolarHBondContact N-OG 3.13Å; R817-S821 PolarHBondContact O-N 3.06Å; R817-S821 WeakPolarHBondContact O-CB 3.26Å; N818-S821 WeakPolarHBondContact O-CB 2.95Å; N818-S821 PolarHBondContact O-N 3.48Å; L819-S821 VanDerWaalsContact C-N 3.28Å; L819-S821 PolarHBondContact O-N 2.77Å; S821-S825 PolarHBondContact O-OG 2.85Å; S821-S825 WeakPolarHBondContact O-CB 2.84Å; S821-S825 VanDerWaalsContact O-CB 3.3Å; S821-S825 PolarHBondContact O-N 3.37Å
822I77Confident71.3Confident0 Ų069.6 Ų69.60%036%0.363CS..Hα-helixtrans-62.7-54.5173.5-70.3166.2000109.1Y407 Y739 T743 N818 L819 C824 S825 L826Y407-I822 HydrophobicContact CD2-CD1 4.08Å; Y739-I822 HydrophobicContact CD1-CD1 4.04Å; Y739-I822 HydrophobicContact CD1-CG1 4.49Å; T743-I822 HydrophobicContact CG2-CG2 4.26Å; N818-I822 WeakPolarHBondContact O-CG1 3.39Å; N818-I822 PolarHBondContact O-N 3.34Å; L819-I822 WeakPolarHBondContact O-CB 3.43Å; L819-I822 VanDerWaalsContact O-N 3.16Å; L819-I822 PolarHBondContact O-N 3.39Å; L819-I822 HydrophobicContact CD2-CD1 4.49Å; I822-C824 VanDerWaalsContact C-N 3.32Å; I822-C824 PolarHBondContact O-N 2.81Å; I822-S825 PolarHBondContact O-N 2.81Å; I822-S825 PolarHBondContact O-OG 3.35Å; I822-L826 HydrophobicContact CG2-CD1 3.95Å; I822-L826 HydrophobicContact CG2-CG 4.5Å; I822-L826 WeakPolarHBondContact O-CG 3.35Å; I822-L826 PolarHBondContact O-N 2.74Å
823A73.1Confident70.6Confident34 Ų3464 Ų6428%0.28134%0.338SS..Hα-helixtrans-58.1-43.2-179.400000112.1L819 D820 L826 N827L819-A823 PolarHBondContact O-N 3.42Å; D820-A823 PolarHBondContact O-N 2.95Å; A823-L826 PolarHBondContact O-N 2.71Å; A823-N827 PolarHBondContact O-N 3.06Å; A823-N827 VanDerWaalsContact O-N 3.15Å; A823-N827 PolarHBondContact O-ND2 2.62Å
824C71.5Confident69.5Low72 Ų7264.8 Ų64.849%0.48635%0.351SS..Hα-helixtrans-61.1-44.2174.7-175.30000111.8D820 I822 L826 N827 N828D820-C824 WeakPolarHBondContact O-CB 3.38Å; D820-C824 PolarHBondContact O-N 3.2Å; I822-C824 VanDerWaalsContact C-N 3.32Å; I822-C824 PolarHBondContact O-N 2.81Å; C824-L826 VanDerWaalsContact C-N 3.33Å; C824-L826 PolarHBondContact O-N 2.88Å; C824-N827 PolarHBondContact O-N 3.31Å; C824-N828 PolarHBondContact O-N 3.4Å
825S77.4Confident67.8Low1 Ų164.8 Ų64.81%0.00736%0.357CS..Hα-helixtrans-67.6-30.7-179.473.90000113.8G740 T743 S821 I822 N828 P829G740-S825 WeakPolarHBondContact O-CB 3Å; T743-S825 WeakPolarHBondContact CG2-OG 3.37Å; S821-S825 PolarHBondContact O-OG 2.85Å; S821-S825 WeakPolarHBondContact O-CB 2.84Å; S821-S825 VanDerWaalsContact O-CB 3.3Å; S821-S825 PolarHBondContact O-N 3.37Å; I822-S825 PolarHBondContact O-N 2.81Å; I822-S825 PolarHBondContact O-OG 3.35Å; S825-N828 CarbonylContact O-C 3.56Å; S825-P829 VanDerWaalsContact O-CA 3.25Å; S825-P829 WeakPolarHBondContact O-CA 3.43Å
826L76.9Confident66.2Low13 Ų1368.3 Ų68.37%0.06837%0.373CS..Hα-helixtrans-71.7-38.7174.7-68.9171.1000111.3T743 F747 I822 A823 C824T743-L826 HydrophobicContact CG2-CD2 3.84Å; T743-L826 HydrophobicContact CG2-CG 4.08Å; F747-L826 HydrophobicContact CD1-CD2 3.99Å; F747-L826 HydrophobicContact CD2-CD2 3.54Å; F747-L826 HydrophobicContact CE1-CD2 3.99Å; F747-L826 HydrophobicContact CE2-CD2 3.52Å; F747-L826 HydrophobicContact CG-CD2 3.77Å; F747-L826 HydrophobicContact CZ-CD2 3.75Å; I822-L826 HydrophobicContact CG2-CD1 3.95Å; I822-L826 HydrophobicContact CG2-CG 4.5Å; I822-L826 WeakPolarHBondContact O-CG 3.35Å; I822-L826 PolarHBondContact O-N 2.74Å; A823-L826 PolarHBondContact O-N 2.71Å; C824-L826 VanDerWaalsContact C-N 3.33Å; C824-L826 PolarHBondContact O-N 2.88Å
827N68.9Low64.5Low142 Ų14263.2 Ų63.276%0.75936%0.359SS*.Hα-helixtrans-77.8-31.6178.9-69.9-28.8000113.7A823 C824A823-N827 PolarHBondContact O-N 3.06Å; A823-N827 VanDerWaalsContact O-N 3.15Å; A823-N827 PolarHBondContact O-ND2 2.62Å; C824-N827 PolarHBondContact O-N 3.31Å
828N74.2Confident63.9Low90 Ų9058.6 Ų58.648%0.48135%0.348SS..  trans-13470.3179.2-173.610.5000111.9C824 S825 E830 G831C824-N828 PolarHBondContact O-N 3.4Å; S825-N828 CarbonylContact O-C 3.56Å; N828-E830 VanDerWaalsContact C-N 3.3Å; N828-E830 PolarHBondContact O-N 2.77Å; N828-G831 PolarHBondContact O-N 3.31Å
829P62.8Low63.1Low28 Ų2859.8 Ų59.818%0.18236%0.356CS..Hα-helixtrans-64.2-31.6-174.523.7-33.5000113.3S744 S825 G831 C832 L833S744-P829 PolarHBondContact OG-O 2.99Å; S744-P829 VanDerWaalsContact OG-O 3.06Å; S825-P829 VanDerWaalsContact O-CA 3.25Å; S825-P829 WeakPolarHBondContact O-CA 3.43Å; P829-G831 PolarHBondContact O-N 2.75Å; P829-C832 PolarHBondContact O-N 3.11Å; P829-L833 PolarHBondContact O-N 2.81Å
830E60.2Low62.5Low134 Ų13459.4 Ų59.463%0.62636%0.356SS*.Hα-helixtrans-69.6-34.1-176.7-59.9-154.6136.900113.4K711 N828 C832 S834K711-E830 IonicContact NZ-OE1 3.89Å; N828-E830 VanDerWaalsContact C-N 3.3Å; N828-E830 PolarHBondContact O-N 2.77Å; E830-C832 VanDerWaalsContact C-N 3.31Å; E830-C832 PolarHBondContact O-N 2.62Å; E830-S834 PolarHBondContact O-N 2.8Å; E830-S834 PolarHBondContact O-OG 3.27Å
831G54.8Low61.8Low32 Ų3257.5 Ų57.533%0.3335%0.348SS..Hα-helixtrans-63.9-34.3177.500000113.3N828 P829 S834N828-G831 PolarHBondContact O-N 3.31Å; P829-G831 PolarHBondContact O-N 2.75Å; G831-S834 PolarHBondContact O-OG 3.02Å
832C58.9Low61Low30 Ų3058.6 Ų58.620%0.20335%0.352CS..Hα-helixtrans-81.1-34.8-177.8-680000113.1P829 E830P829-C832 PolarHBondContact O-N 3.11Å; E830-C832 VanDerWaalsContact C-N 3.31Å; E830-C832 PolarHBondContact O-N 2.62Å
833L56.5Low60Low12 Ų1262.5 Ų62.56%0.06338%0.376CS..Hα-helixtrans-78.3-19.7-176.2-71.6166.3000114.3S709 K711 S744 M745 Y748 P829S709-L833 PolarHBondContact OG-O 2.96Å; K711-L833 HydrophobicContact CB-CB 4.23Å; K711-L833 HydrophobicContact CB-CD2 4.43Å; K711-L833 HydrophobicContact CD-CB 4.16Å; K711-L833 HydrophobicContact CD-CD1 4.25Å; K711-L833 HydrophobicContact CG-CD1 4.41Å; S744-L833 VanDerWaalsContact OG-CG 3.3Å; S744-L833 WeakPolarHBondContact OG-CG 3.48Å; M745-L833 HydrophobicContact CG-CD2 3.79Å; Y748-L833 HydrophobicContact CD2-CD1 4.06Å; Y748-L833 HydrophobicContact CG-CD1 3.91Å; P829-L833 PolarHBondContact O-N 2.81Å
834S48.1Very low59Low86 Ų8664.5 Ų64.560%0.60138%0.383SS*.SBendtrans-85-18.7-177.950.60000113.6E830 G831 Q836E830-S834 PolarHBondContact O-N 2.8Å; E830-S834 PolarHBondContact O-OG 3.27Å; G831-S834 PolarHBondContact O-OG 3.02Å; S834-Q836 PolarHBondContact O-N 2.89Å
835C38Very low58.1Low78 Ų7863.9 Ų63.953%0.52738%0.375SS..SBendtrans-70.3116.6172.4-69.10000108.9
836Q40.8Very low56.5Low157 Ų15769.2 Ų69.273%0.73441%0.405SS*.  trans-45.6148.2179.8-68.1177.1-9.500112.2K741 S834K741-Q836 PolarHBondContact NZ-O 3.16Å; S834-Q836 PolarHBondContact O-N 2.89Å
837G37.6Very low54.6Low28 Ų2874.3 Ų74.329%0.28944%0.436SS..  trans-59.90-175.500000114.8W706 A735W706-G837 CarbonylContact O-C 3.56Å; A735-G837 WeakPolarHBondContact CB-OXT 3.44Å; A735-G837 PolarHBondContact N-OXT 3.23Å

Retrieved 837 of 837 residues in 634.2 ms (Link to these results)

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