A0A087Y107_POEFO Loading...

Small ribosomal subunit protein mS25

AlphaFold DB , UniProt , Accession A0A087Y107, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M61.4Low86.5Confident234 Ų234127.1 Ų127.1100%1.15361%0.613SS**  0135.30-64.3-176.5-162.400108.9
2P80.5Confident87.1Confident125 Ų125120.3 Ų120.381%0.81259%0.585SS**PPolyproline II helixtrans-65.6142.517522.8-26.3000110.8K4P2-K4 PolarHBondContact O-N 3.37Å
3M87.6Confident87.6Confident105 Ų105119.5 Ų119.552%0.51758%0.584SS.*PPolyproline II helixtrans-64.3130178.9-69.4-177.874.600110.6P8 R11M3-P8 HydrophobicContact CB-CB 3.42Å; M3-P8 VanDerWaalsContact CB-CB 3.42Å; M3-P8 HydrophobicContact CB-CG 4.3Å; M3-P8 HydrophobicContact CE-CB 4.5Å; M3-P8 HydrophobicContact CG-CB 4.39Å; M3-P8 HydrophobicContact SD-CB 4.21Å; M3-R11 HydrophobicContact CE-CB 3.87Å
4K90.3Very high88Confident183 Ų183119.4 Ų119.480%0.79658%0.582SS**SBendtrans-67.8134.1-179.1-64.5-178.6178.7-178.90112.1P2 R11P2-K4 PolarHBondContact O-N 3.37Å; K4-R11 PolarHBondContact O-NH1 2.85Å
5G89.9Confident88.4Confident53 Ų53114.4 Ų114.455%0.54656%0.555SS.*SBendtrans119.9157.8169.900000114.4Y7 P8G5-Y7 PolarHBondContact O-N 3.29Å; G5-Y7 VanDerWaalsContact O-N 3.14Å; G5-P8 WeakPolarHBondContact O-CD 3.35Å
6R84.9Confident88.7Confident228 Ų228108.9 Ų108.986%0.8653%0.529SS*.SBendtrans-68.2-12.9-170.7-154.1169.1-179.4172.8-0.5115.1
7Y90.8Very high88.9Confident114 Ų114108.8 Ų108.845%0.44753%0.527SS..  trans-15281.1174.6-71.4-82.9000109.8G5 I9 R10 F49G5-Y7 PolarHBondContact O-N 3.29Å; G5-Y7 VanDerWaalsContact O-N 3.14Å; Y7-I9 VanDerWaalsContact C-N 3.29Å; Y7-I9 PolarHBondContact O-N 3.19Å; Y7-R10 PolarHBondContact O-NE 2.86Å; Y7-F49 AromaticContact CD2-CE1 3.61Å; Y7-F49 HydrophobicContact CD2-CE1 3.61Å; Y7-F49 AromaticContact CD2-CZ 3.99Å; Y7-F49 HydrophobicContact CD2-CZ 3.99Å; Y7-F49 HydrophobicContact CE2-CE1 4.26Å; Y7-F49 HydrophobicContact CG-CE1 4.32Å
8P92Very high89.1Confident47 Ų47110.4 Ų110.431%0.30553%0.531SS..G310 helixtrans-71.9-23.8-174.327.6-32.5000113M3 G5 R10 R11M3-P8 HydrophobicContact CB-CB 3.42Å; M3-P8 VanDerWaalsContact CB-CB 3.42Å; M3-P8 HydrophobicContact CB-CG 4.3Å; M3-P8 HydrophobicContact CE-CB 4.5Å; M3-P8 HydrophobicContact CG-CB 4.39Å; M3-P8 HydrophobicContact SD-CB 4.21Å; G5-P8 WeakPolarHBondContact O-CD 3.35Å; P8-R10 PolarHBondContact O-N 2.98Å; P8-R11 WeakPolarHBondContact O-CB 3.21Å; P8-R11 PolarHBondContact O-N 3.14Å
9I91.4Very high89.1Confident104 Ų104105.1 Ų105.153%0.53351%0.508SS..G310 helixtrans-53.1-29.6177.4-171.1165.1000113.1Y7 R11 T12 Y15Y7-I9 VanDerWaalsContact C-N 3.29Å; Y7-I9 PolarHBondContact O-N 3.19Å; I9-R11 PolarHBondContact O-N 3.03Å; I9-R11 VanDerWaalsContact O-N 3.11Å; I9-T12 PolarHBondContact O-N 2.74Å; I9-T12 VanDerWaalsContact O-N 3.12Å; I9-T12 PolarHBondContact O-OG1 2.91Å; I9-Y15 VanDerWaalsContact O-CB 3.28Å; I9-Y15 WeakPolarHBondContact O-CB 3.33Å
10R91.8Very high89.1Confident39 Ų39104.3 Ų104.315%0.14751%0.506CS..G310 helixtrans-67.1-13.5178.6-61.8177.4-63.2156.5-4.6114.1Y7 P8 Y15 F49 F50Y7-R10 PolarHBondContact O-NE 2.86Å; P8-R10 PolarHBondContact O-N 2.98Å; R10-Y15 HydrophobicContact CB-CD1 4.1Å; R10-Y15 HydrophobicContact CB-CE1 3.97Å; R10-Y15 HydrophobicContact CG-CD1 4.36Å; R10-Y15 HydrophobicContact CG-CE1 3.86Å; R10-F49 PolarHBondContact NH1-O 3.4Å; R10-F49 VanDerWaalsContact NH2-CE2 3.34Å; R10-F50 VanDerWaalsContact CD-CD1 3.48Å; R10-F50 HydrophobicContact CG-CD1 4.08Å; R10-F50 HydrophobicContact CG-CE1 4.37Å
11R91.1Very high89.2Confident166 Ų16699.9 Ų99.963%0.62649%0.485SS*.G310 helixtrans-97.99.7178.4-59.1179.5178.7172.9-0.2112.3M3 K4 P8 I9M3-R11 HydrophobicContact CE-CB 3.87Å; K4-R11 PolarHBondContact O-NH1 2.85Å; P8-R11 WeakPolarHBondContact O-CB 3.21Å; P8-R11 PolarHBondContact O-N 3.14Å; I9-R11 PolarHBondContact O-N 3.03Å; I9-R11 VanDerWaalsContact O-N 3.11Å
12T93.6Very high90.8Very high46 Ų4690.8 Ų90.828%0.28244%0.441SS..SBendtrans-90146.7175.267.60000110.9I9 E14 Y15 L16I9-T12 PolarHBondContact O-N 2.74Å; I9-T12 VanDerWaalsContact O-N 3.12Å; I9-T12 PolarHBondContact O-OG1 2.91Å; T12-E14 PolarHBondContact O-N 3.01Å; T12-Y15 PolarHBondContact O-N 3.22Å; T12-Y15 WeakPolarHBondContact OG1-CB 3.08Å; T12-Y15 PolarHBondContact OG1-N 2.8Å; T12-L16 WeakPolarHBondContact O-CG 3.19Å; T12-L16 PolarHBondContact O-N 2.87Å; T12-L16 VanDerWaalsContact O-N 3.16Å
13L93.3Very high91.4Very high109 Ų10985 Ų8557%0.57140%0.403SS*.Hα-helixtrans-59.7-38.6176-74.2173.6000111.7Y15 L16 Q17 Y57L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 2.95Å; L13-Q17 WeakPolarHBondContact O-CB 3.32Å; L13-Q17 VanDerWaalsContact O-CG 3.23Å; L13-Q17 WeakPolarHBondContact O-CG 3.25Å; L13-Q17 PolarHBondContact O-N 3.09Å; L13-Y57 HydrophobicContact CD2-CE2 4.08Å
14E93.7Very high91.6Very high119 Ų11984.7 Ų84.756%0.55640%0.399SS*.Hα-helixtrans-59.7-42.8177.8-165.3-166153.800111.8T12 Q17 K18T12-E14 PolarHBondContact O-N 3.01Å; E14-Q17 PolarHBondContact O-N 2.79Å; E14-K18 WeakPolarHBondContact O-CG 3.36Å; E14-K18 PolarHBondContact O-N 2.9Å; E14-K18 WeakPolarHBondContact OE1-CE 3.13Å; E14-K18 IonicContact OE1-NZ 2.65Å; E14-K18 PolarHBondContact OE1-NZ 3.05Å
15Y93.6Very high91.6Very high44 Ų4484.2 Ų84.217%0.17340%0.396CS..Hα-helixtrans-66.4-41.9177.5-177.2-93.3000112.2I9 R10 T12 L13 Q17 K18 F50 Q54I9-Y15 VanDerWaalsContact O-CB 3.28Å; I9-Y15 WeakPolarHBondContact O-CB 3.33Å; R10-Y15 HydrophobicContact CB-CD1 4.1Å; R10-Y15 HydrophobicContact CB-CE1 3.97Å; R10-Y15 HydrophobicContact CG-CD1 4.36Å; R10-Y15 HydrophobicContact CG-CE1 3.86Å; T12-Y15 PolarHBondContact O-N 3.22Å; T12-Y15 WeakPolarHBondContact OG1-CB 3.08Å; T12-Y15 PolarHBondContact OG1-N 2.8Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 2.87Å; Y15-Q17 VanDerWaalsContact C-N 3.34Å; Y15-K18 PolarHBondContact O-N 2.83Å; Y15-F50 WeakPolarHBondContact OH-CB 3.46Å; Y15-F50 PolarHBondContact OH-O 2.93Å; Y15-Q54 HydrophobicContact CD1-CG 4.04Å; Y15-Q54 HydrophobicContact CE1-CG 3.69Å; Y15-Q54 PolarHBondContact O-NE2 2.87Å
16L93.3Very high91.6Very high27 Ų2786.4 Ų86.414%0.14139%0.391CS..Hα-helixtrans-68.1-34.8178.8-64.3175000112T12 L13 G19 P53 Y57T12-L16 WeakPolarHBondContact O-CG 3.19Å; T12-L16 PolarHBondContact O-N 2.87Å; T12-L16 VanDerWaalsContact O-N 3.16Å; L13-L16 PolarHBondContact O-N 2.95Å; L16-G19 PolarHBondContact O-N 2.87Å; L16-P53 HydrophobicContact CD2-CB 3.82Å; L16-Y57 HydrophobicContact CB-CD1 3.8Å; L16-Y57 HydrophobicContact CB-CD2 4.04Å; L16-Y57 HydrophobicContact CB-CE1 4.27Å; L16-Y57 HydrophobicContact CB-CE2 4.46Å; L16-Y57 HydrophobicContact CB-CG 3.68Å; L16-Y57 HydrophobicContact CD1-CD2 3.84Å; L16-Y57 HydrophobicContact CD1-CE2 4.31Å; L16-Y57 HydrophobicContact CD1-CG 4.25Å; L16-Y57 HydrophobicContact CG-CG 4.44Å
17Q92.1Very high91.9Very high107 Ų10775.7 Ų75.750%0.535%0.351SS..Hα-helixtrans-71.9-27.9177.9-75.51770.800113.5L13 E14 Y15 G19 Y57 K58L13-Q17 WeakPolarHBondContact O-CB 3.32Å; L13-Q17 VanDerWaalsContact O-CG 3.23Å; L13-Q17 WeakPolarHBondContact O-CG 3.25Å; L13-Q17 PolarHBondContact O-N 3.09Å; E14-Q17 PolarHBondContact O-N 2.79Å; Y15-Q17 VanDerWaalsContact C-N 3.34Å; Q17-G19 PolarHBondContact O-N 2.81Å; Q17-Y57 HydrophobicContact CG-CE1 3.94Å; Q17-K58 WeakPolarHBondContact O-CE 3.42Å; Q17-K58 PolarHBondContact O-NZ 3.42Å
18K92.1Very high91.9Very high138 Ų13874.2 Ų74.260%0.635%0.347SS*.THydrogen-bonded Turntrans-69.6-5.9175.4-76.1175-175.4172.70114.2E14 Y15 D20E14-K18 WeakPolarHBondContact O-CG 3.36Å; E14-K18 PolarHBondContact O-N 2.9Å; E14-K18 WeakPolarHBondContact OE1-CE 3.13Å; E14-K18 IonicContact OE1-NZ 2.65Å; E14-K18 PolarHBondContact OE1-NZ 3.05Å; Y15-K18 PolarHBondContact O-N 2.83Å; K18-D20 PolarHBondContact O-N 2.93Å
19G89.3Confident92Very high8 Ų874.5 Ų74.58%0.08235%0.345CS..  trans-60.7125.7173.100000112.3L16 Q17 K58L16-G19 PolarHBondContact O-N 2.87Å; Q17-G19 PolarHBondContact O-N 2.81Å; G19-K58 VanDerWaalsContact O-CE 3.24Å; G19-K58 WeakPolarHBondContact O-CE 3.48Å
20D88.9Confident92.1Very high90 Ų9069.6 Ų69.648%0.48132%0.32SS..  trans-96.9-10.2-175.6-170.223.9000113.2K18 I22 K104K18-D20 PolarHBondContact O-N 2.93Å; D20-I22 PolarHBondContact O-N 3.36Å; D20-K104 IonicContact OD1-NZ 2.69Å; D20-K104 PolarHBondContact OD1-NZ 2.99Å; D20-K104 WeakPolarHBondContact OD2-CD 3.46Å; D20-K104 WeakPolarHBondContact OD2-CE 3.41Å; D20-K104 IonicContact OD2-NZ 2.67Å; D20-K104 PolarHBondContact OD2-NZ 3.23Å
21I92.6Very high92.3Very high12 Ų1268 Ų686%0.06231%0.314CS..  trans-89.7107.8-177.8-57.3172.7000108.6F23 I55 N59 V103 K104I21-F23 HydrophobicContact CG2-CD1 4.19Å; I21-F23 HydrophobicContact CG2-CE1 3.76Å; I21-F23 HydrophobicContact CG2-CZ 3.98Å; I21-I55 HydrophobicContact CB-CG1 4.12Å; I21-I55 HydrophobicContact CD1-CD1 3.94Å; I21-I55 HydrophobicContact CD1-CG1 4.1Å; I21-I55 HydrophobicContact CG2-CG1 4.34Å; I21-N59 PolarHBondContact O-OD1 3.33Å; I21-V103 HydrophobicContact CG2-CG1 4.25Å; I21-K104 HydrophobicContact CG1-CB 4.45Å
22I94.2Very high92.5Very high42 Ų4260.2 Ų60.222%0.21529%0.285CS..  trans-117.7111.5168.7-60.4169.9000107.4D20 K58 G108 K109 L114D20-I22 PolarHBondContact O-N 3.36Å; I22-K58 HydrophobicContact CG1-CB 4.23Å; I22-K58 HydrophobicContact CG1-CD 4.44Å; I22-G108 WeakPolarHBondContact O-CA 3.5Å; I22-K109 HydrophobicContact CG2-CD 4.03Å; I22-K109 PolarHBondContact O-N 3.11Å; I22-L114 HydrophobicContact CB-CD2 4.3Å; I22-L114 HydrophobicContact CD1-CD1 4.19Å; I22-L114 HydrophobicContact CD1-CD2 3.62Å; I22-L114 HydrophobicContact CG2-CD2 4.3Å
23F93.9Very high92.5Very high5 Ų558.6 Ų58.62%0.02228%0.275CS..BIsolated β-bridgetrans-65.6151-179.9-66.1-54.1000114.3I21 V27 M30 I55 N59 V62 F78 V103 L107 K109I21-F23 HydrophobicContact CG2-CD1 4.19Å; I21-F23 HydrophobicContact CG2-CE1 3.76Å; I21-F23 HydrophobicContact CG2-CZ 3.98Å; F23-V27 HydrophobicContact CB-CB 4.04Å; F23-V27 HydrophobicContact CB-CG2 4.1Å; F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CD2-CG1 4.4Å; F23-V27 HydrophobicContact CG-CB 4.3Å; F23-V27 HydrophobicContact CG-CG1 4.27Å; F23-V27 HydrophobicContact CG-CG2 4.35Å; F23-M30 HydrophobicContact CE2-SD 4.19Å; F23-M30 HydrophobicContact CZ-SD 3.95Å; F23-I55 HydrophobicContact CD2-CG2 4.27Å; F23-I55 HydrophobicContact CE2-CG2 3.36Å; F23-I55 HydrophobicContact CZ-CG2 3.87Å; F23-N59 HydrophobicContact CD2-CB 4.11Å; F23-N59 WeakPolarHBondContact CD2-OD1 3.48Å; F23-N59 PolarHBondContact N-ND2 2.81Å; F23-N59 VanDerWaalsContact N-ND2 3.15Å; F23-N59 PolarHBondContact N-OD1 2.83Å; F23-V62 HydrophobicContact CD2-CG1 4.36Å; F23-V62 HydrophobicContact CD2-CG2 4.23Å; F23-F78 AromaticContact CE1-CE1 3.89Å; F23-F78 HydrophobicContact CE1-CE1 3.89Å; F23-F78 AromaticContact CZ-CE1 3.74Å; F23-F78 HydrophobicContact CZ-CE1 3.74Å; F23-V103 HydrophobicContact CE1-CG1 3.6Å; F23-V103 HydrophobicContact CZ-CG1 4.09Å; F23-L107 WeakPolarHBondContact CA-O 3.42Å; F23-L107 HydrophobicContact CD1-CB 3.97Å; F23-L107 HydrophobicContact CE1-CB 4.26Å; F23-K109 WeakPolarHBondContact O-CE 3.24Å
24K91.8Very high92.5Very high97 Ų9754.7 Ų54.742%0.42225%0.253SS..  trans-60151.7163.7-66171.1-173.5168.90110.1K26 V27 I106 L107 G108K24-K26 PolarHBondContact O-N 3.25Å; K24-V27 PolarHBondContact O-N 3.01Å; K24-V27 VanDerWaalsContact O-N 3.16Å; K24-I106 PolarHBondContact NZ-O 3.09Å; K24-I106 VanDerWaalsContact NZ-O 3.13Å; K24-L107 WeakPolarHBondContact CG-O 3.32Å; K24-L107 PolarHBondContact N-O 3.13Å; K24-G108 WeakPolarHBondContact CE-O 3.09Å
25K89.2Confident92.5Very high173 Ų17350.1 Ų50.175%0.75223%0.232SC*.THydrogen-bonded Turntrans-58.8-23.4-177.3-66.1-177.3-178.31760114.2V27K25-V27 VanDerWaalsContact C-N 3.33Å; K25-V27 PolarHBondContact O-N 3.05Å
26K90.8Very high92.3Very high100 Ų10050.3 Ų50.344%0.43524%0.238SC..THydrogen-bonded Turntrans-66.9-29.3179.9-57.7-167.5174.4-134.80113.6K24 L80 L81 D82K24-K26 PolarHBondContact O-N 3.25Å; K26-L80 HydrophobicContact CB-CD2 4.05Å; K26-L80 WeakPolarHBondContact O-CA 3.38Å; K26-L81 PolarHBondContact O-N 3.42Å; K26-D82 WeakPolarHBondContact CD-OD2 3.32Å; K26-D82 WeakPolarHBondContact CE-OD2 3.36Å; K26-D82 WeakPolarHBondContact CG-OD2 3.39Å; K26-D82 IonicContact NZ-OD2 2.74Å; K26-D82 PolarHBondContact NZ-OD2 2.91Å
27V91.6Very high92Very high3 Ų356.4 Ų56.42%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-76.1125.1-178.1-173.30000109.5F23 K24 K25 V62 F78 L80 L107F23-V27 HydrophobicContact CB-CB 4.04Å; F23-V27 HydrophobicContact CB-CG2 4.1Å; F23-V27 HydrophobicContact CD1-CG2 4.35Å; F23-V27 HydrophobicContact CD2-CG1 4.4Å; F23-V27 HydrophobicContact CG-CB 4.3Å; F23-V27 HydrophobicContact CG-CG1 4.27Å; F23-V27 HydrophobicContact CG-CG2 4.35Å; K24-V27 PolarHBondContact O-N 3.01Å; K24-V27 VanDerWaalsContact O-N 3.16Å; K25-V27 VanDerWaalsContact C-N 3.33Å; K25-V27 PolarHBondContact O-N 3.05Å; V27-V62 HydrophobicContact CG1-CG1 4.36Å; V27-F78 HydrophobicContact CG1-CD1 4.05Å; V27-L80 HydrophobicContact CB-CD2 4.24Å; V27-L80 HydrophobicContact CG2-CD2 3.64Å; V27-L107 HydrophobicContact CG2-CB 4.16Å; V27-L107 HydrophobicContact CG2-CD1 4.25Å; V27-L107 HydrophobicContact CG2-CD2 4.1Å; V27-L107 HydrophobicContact CG2-CG 4.4Å
28K90.9Very high91.6Very high82 Ų8253.6 Ų53.636%0.35727%0.266SS..EExtended strand (participates in β ladder)trans-120.4-38.5176.1-69.2-54.9-177.6179.30114.7V62 Q63 Y79 L81K28-V62 WeakPolarHBondContact O-CA 3.49Å; K28-V62 WeakPolarHBondContact O-CG1 3.42Å; K28-Q63 PolarHBondContact O-N 3.16Å; K28-Y79 PolarHBondContact N-O 3.49Å; K28-L81 HydrophobicContact CB-CG 4.47Å; K28-L81 HydrophobicContact CD-CD1 3.8Å; K28-L81 HydrophobicContact CG-CB 4.26Å; K28-L81 HydrophobicContact CG-CD1 3.29Å; K28-L81 HydrophobicContact CG-CG 3.49Å; K28-L81 VanDerWaalsContact CG-CG 3.49Å
29I93.1Very high91.3Very high54 Ų5455.3 Ų55.328%0.27728%0.276SS..EExtended strand (participates in β ladder)trans-124.7131.3-178.6-51.3171.5000108.4T31 Q63 M65 F78 Y79I29-T31 HydrophobicContact CG2-CG2 4.21Å; I29-Q63 WeakPolarHBondContact CA-O 3.41Å; I29-M65 HydrophobicContact CG2-CE 4.4Å; I29-F78 WeakPolarHBondContact O-CA 3.38Å; I29-Y79 HydrophobicContact CB-CD2 3.9Å; I29-Y79 HydrophobicContact CB-CG 4.36Å; I29-Y79 HydrophobicContact CG2-CD2 3.97Å; I29-Y79 HydrophobicContact CG2-CE2 4.49Å; I29-Y79 PolarHBondContact O-N 3.42Å
30M94.6Very high91.1Very high0 Ų060.1 Ų60.10%030%0.299CS..EExtended strand (participates in β ladder)trans-119.1121.8170.4173.9-178.817800108F23 V32 F47 I52 V62 Q63 I64 M65 L76 F78F23-M30 HydrophobicContact CE2-SD 4.19Å; F23-M30 HydrophobicContact CZ-SD 3.95Å; M30-V32 HydrophobicContact CE-CG2 3.76Å; M30-V32 HydrophobicContact CG-CG2 4.32Å; M30-F47 HydrophobicContact CE-CE1 3.87Å; M30-F47 HydrophobicContact CE-CZ 4.24Å; M30-I52 HydrophobicContact CE-CD1 3.73Å; M30-I52 HydrophobicContact SD-CD1 4.43Å; M30-V62 HydrophobicContact CB-CG1 4.45Å; M30-Q63 PolarHBondContact N-O 2.75Å; M30-I64 HydrophobicContact CB-CG1 4.27Å; M30-I64 CarbonylContact O-C 3.56Å; M30-I64 VanDerWaalsContact O-CA 3.3Å; M30-I64 WeakPolarHBondContact O-CA 3.34Å; M30-I64 HydrophobicContact SD-CD1 4.31Å; M30-I64 HydrophobicContact SD-CG1 4.4Å; M30-M65 PolarHBondContact O-N 3.39Å; M30-L76 HydrophobicContact CE-CD1 4.32Å; M30-L76 HydrophobicContact CE-CD2 4.01Å; M30-F78 HydrophobicContact CB-CD1 3.95Å; M30-F78 HydrophobicContact CB-CE1 4Å; M30-F78 HydrophobicContact CE-CE1 4.16Å; M30-F78 HydrophobicContact CE-CZ 4.12Å; M30-F78 HydrophobicContact CG-CD1 3.93Å; M30-F78 HydrophobicContact CG-CE1 3.54Å; M30-F78 HydrophobicContact CG-CZ 4.2Å; M30-F78 HydrophobicContact SD-CE1 3.64Å; M30-F78 HydrophobicContact SD-CZ 4.22Å
31T95Very high91Very high5 Ų556 Ų563%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-108.9129.9173.554.30000109.8I29 M65 F67 K77 Y79I29-T31 HydrophobicContact CG2-CG2 4.21Å; T31-M65 CarbonylContact C-O 3.54Å; T31-M65 WeakPolarHBondContact CA-O 3.48Å; T31-M65 HydrophobicContact CG2-CB 4.31Å; T31-M65 HydrophobicContact CG2-CE 4.09Å; T31-F67 HydrophobicContact CG2-CE2 3.94Å; T31-K77 PolarHBondContact N-O 2.91Å; T31-K77 PolarHBondContact O-N 3.14Å; T31-K77 WeakPolarHBondContact OG1-CB 3.49Å; T31-K77 PolarHBondContact OG1-O 3.37Å; T31-K77 VanDerWaalsContact OG1-O 3.09Å; T31-Y79 HydrophobicContact CG2-CE2 3.76Å
32V95.1Very high90.9Very high3 Ų359.7 Ų59.72%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-112.6112-179.9-174.60000108.5M30 Y34 V48 I52 I64 M65 M66 F67 L76M30-V32 HydrophobicContact CE-CG2 3.76Å; M30-V32 HydrophobicContact CG-CG2 4.32Å; V32-Y34 HydrophobicContact CG1-CD1 4.17Å; V32-V48 HydrophobicContact CG1-CG2 3.6Å; V32-I52 HydrophobicContact CG2-CD1 3.95Å; V32-I64 HydrophobicContact CG2-CG2 4.31Å; V32-M65 PolarHBondContact N-O 3.45Å; V32-M66 HydrophobicContact CB-CG 4.17Å; V32-M66 HydrophobicContact CG2-CG 4.46Å; V32-M66 CarbonylContact O-C 3.28Å; V32-M66 WeakPolarHBondContact O-CA 3.24Å; V32-F67 PolarHBondContact O-N 3.34Å; V32-L76 HydrophobicContact CB-CD2 3.99Å; V32-L76 HydrophobicContact CG1-CD2 3.62Å; V32-L76 HydrophobicContact CG2-CD2 3.77Å
33N94.6Very high90.8Very high12 Ų1258.1 Ų58.16%0.06429%0.289CS..EExtended strand (participates in β ladder)trans-103120.2173.9-66.4-83.1000108F67 P74 F75N33-F67 WeakPolarHBondContact CA-O 3.46Å; N33-F67 VanDerWaalsContact OD1-CB 3.25Å; N33-F67 WeakPolarHBondContact OD1-CB 3.25Å; N33-P74 CarbonylContact O-C 3.56Å; N33-P74 VanDerWaalsContact O-CA 3.28Å; N33-P74 WeakPolarHBondContact O-CA 3.48Å; N33-F75 HydrophobicContact CB-CD1 3.97Å; N33-F75 HydrophobicContact CB-CD2 4.38Å; N33-F75 HydrophobicContact CB-CE1 3.71Å; N33-F75 HydrophobicContact CB-CE2 4.18Å; N33-F75 HydrophobicContact CB-CG 4.31Å; N33-F75 HydrophobicContact CB-CZ 3.84Å; N33-F75 PolarHBondContact N-O 2.81Å; N33-F75 WeakPolarHBondContact ND2-CE2 3.36Å; N33-F75 WeakPolarHBondContact ND2-CZ 3.41Å; N33-F75 PolarHBondContact O-N 3.15Å
34Y93.4Very high90.7Very high28 Ų2858 Ų5811%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-145.6155.5-179.575-80.4000112.6V32 R45 V48 M66 F67 K68 N69V32-Y34 HydrophobicContact CG1-CD1 4.17Å; Y34-R45 HydrophobicContact CD2-CG 3.97Å; Y34-R45 HydrophobicContact CE2-CG 4.32Å; Y34-V48 HydrophobicContact CD1-CG2 3.87Å; Y34-V48 HydrophobicContact CE1-CG1 4.18Å; Y34-V48 HydrophobicContact CE1-CG2 3.97Å; Y34-V48 HydrophobicContact CG-CG2 4.22Å; Y34-M66 HydrophobicContact CE1-CB 4.33Å; Y34-F67 PolarHBondContact N-O 2.85Å; Y34-F67 VanDerWaalsContact N-O 3.09Å; Y34-K68 HydrophobicContact CE1-CG 3.91Å; Y34-K68 HydrophobicContact CE2-CG 4.48Å; Y34-K68 WeakPolarHBondContact O-CA 3.3Å; Y34-K68 WeakPolarHBondContact OH-CE 3.47Å; Y34-N69 PolarHBondContact O-N 3.33Å; Y34-N69 VanDerWaalsContact O-N 3.13Å
35N92.4Very high90.8Very high22 Ų2256.7 Ų56.712%0.11828%0.282CS..  trans-102.6140.5-178.2-68.2-19.4000112R45 N69 T71 P72N35-R45 WeakPolarHBondContact O-CD 3.28Å; N35-R45 WeakPolarHBondContact O-CG 3.43Å; N35-R45 PolarHBondContact O-NH1 3.08Å; N35-N69 WeakPolarHBondContact CA-OD1 3.33Å; N35-N69 WeakPolarHBondContact OD1-CA 3.46Å; N35-T71 PolarHBondContact ND2-O 2.95Å; N35-T71 PolarHBondContact OD1-O 3.29Å; N35-P72 VanDerWaalsContact ND2-C 3.3Å; N35-P72 PolarHBondContact ND2-O 3.23Å
36T89.4Confident90.9Very high49 Ų4952.3 Ų52.330%0.30126%0.263SS..SBendtrans-74-30.5-179.453.80000112.1R45 K68 N69T36-R45 PolarHBondContact O-NH1 2.79Å; T36-K68 HydrophobicContact CG2-CD 4.39Å; T36-N69 PolarHBondContact N-OD1 3Å; T36-N69 PolarHBondContact OG1-ND2 3.45Å; T36-N69 PolarHBondContact OG1-OD1 3.17Å
37H87.3Confident91.1Very high155 Ų15547.6 Ų47.672%0.71824%0.242SC*.SBendtrans-115.3164.1-179.7-54.4104.5000111R45H37-R45 PolarHBondContact O-NH1 3.13Å
38G84.3Confident91.2Very high48 Ų4848.4 Ų48.450%0.49525%0.247SC..  trans97.6141.4179.600000113.8R45G38-R45 VanDerWaalsContact O-CZ 3.31Å; G38-R45 PolarHBondContact O-NH1 3.01Å; G38-R45 PolarHBondContact O-NH2 3.28Å
39E85.1Confident91.3Very high174 Ų17448.5 Ų48.581%0.81325%0.248SC*.SBendtrans-71.9-39.9-178.6-63.5-175.8168.400111.6G41 E42E39-G41 PolarHBondContact O-N 3Å; E39-G41 VanDerWaalsContact O-N 3.08Å; E39-E42 WeakPolarHBondContact O-CB 3.49Å; E39-E42 PolarHBondContact O-N 3.5Å
40L85.3Confident91.3Very high108 Ų10848.6 Ų48.657%0.56525%0.246SC*.THydrogen-bonded Turntrans-62.2-20.2179.4-60174.9000113.7E92 G93L40-E92 HydrophobicContact CB-CG 3.92Å; L40-E92 WeakPolarHBondContact CD1-OE1 3.39Å; L40-G93 PolarHBondContact O-N 2.95Å
41G86.1Confident91.2Very high5 Ų549.7 Ų49.75%0.05225%0.252CS..THydrogen-bonded Turntrans-96.33.8176.900000115.2E39 G43 A44 R45E39-G41 PolarHBondContact O-N 3Å; E39-G41 VanDerWaalsContact O-N 3.08Å; G41-G43 PolarHBondContact O-N 2.94Å; G41-A44 PolarHBondContact O-N 2.92Å; G41-R45 PolarHBondContact O-N 3.09Å; G41-R45 VanDerWaalsContact O-N 3.12Å
42E91.4Very high91.1Very high88 Ų8850.1 Ų50.141%0.41125%0.254SS..Hα-helixtrans-62.7-42.4-175.1-168.8-174.3164.400112.7E39 A44 R45 K46E39-E42 WeakPolarHBondContact O-CB 3.49Å; E39-E42 PolarHBondContact O-N 3.5Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.33Å; E42-R45 PolarHBondContact O-N 3.12Å; E42-K46 PolarHBondContact O-N 3.49Å; E42-K46 WeakPolarHBondContact OE1-CE 3.38Å; E42-K46 IonicContact OE1-NZ 2.81Å; E42-K46 PolarHBondContact OE1-NZ 3.4Å
43G90.9Very high91.1Very high9 Ų952.2 Ų52.29%0.09327%0.267CS..Hα-helixtrans-62.5-40.3178.300000112.7G41 K46 F47 K94G41-G43 PolarHBondContact O-N 2.94Å; G43-K46 PolarHBondContact O-N 3.21Å; G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 3.23Å; G43-K94 WeakPolarHBondContact CA-O 3.37Å
44A92.2Very high91.1Very high4 Ų452.9 Ų52.93%0.03327%0.27CS..Hα-helixtrans-63.4-41.5174.800000112.1G41 E42 F47 V48 P74 V91G41-A44 PolarHBondContact O-N 2.92Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.33Å; A44-F47 WeakPolarHBondContact O-CB 3.34Å; A44-F47 PolarHBondContact O-N 3.15Å; A44-V48 WeakPolarHBondContact O-CG2 3.35Å; A44-V48 PolarHBondContact O-N 3.26Å; A44-P74 HydrophobicContact CB-CB 3.93Å; A44-P74 HydrophobicContact CB-CG 4.37Å; A44-V91 HydrophobicContact CB-CG2 4.01Å
45R93.3Very high91.1Very high68 Ų6851.7 Ų51.726%0.25727%0.266SS..Hα-helixtrans-62.2-44.6174.9-70.3-171-66.2-98.23.4111.9Y34 N35 T36 H37 G38 G41 E42 F47 V48 F49Y34-R45 HydrophobicContact CD2-CG 3.97Å; Y34-R45 HydrophobicContact CE2-CG 4.32Å; N35-R45 WeakPolarHBondContact O-CD 3.28Å; N35-R45 WeakPolarHBondContact O-CG 3.43Å; N35-R45 PolarHBondContact O-NH1 3.08Å; T36-R45 PolarHBondContact O-NH1 2.79Å; H37-R45 PolarHBondContact O-NH1 3.13Å; G38-R45 VanDerWaalsContact O-CZ 3.31Å; G38-R45 PolarHBondContact O-NH1 3.01Å; G38-R45 PolarHBondContact O-NH2 3.28Å; G41-R45 PolarHBondContact O-N 3.09Å; G41-R45 VanDerWaalsContact O-N 3.12Å; E42-R45 PolarHBondContact O-N 3.12Å; R45-F47 VanDerWaalsContact C-N 3.34Å; R45-V48 PolarHBondContact O-N 2.95Å; R45-F49 WeakPolarHBondContact O-CB 3.33Å; R45-F49 PolarHBondContact O-N 2.97Å
46K93Very high91.3Very high82 Ų8253.9 Ų53.936%0.35728%0.275SS..Hα-helixtrans-63.2-41.1175.7-73.2177.8-176.2165.20111.2E42 G43 F49 F50 C96E42-K46 PolarHBondContact O-N 3.49Å; E42-K46 WeakPolarHBondContact OE1-CE 3.38Å; E42-K46 IonicContact OE1-NZ 2.81Å; E42-K46 PolarHBondContact OE1-NZ 3.4Å; G43-K46 PolarHBondContact O-N 3.21Å; K46-F49 PolarHBondContact O-N 3.45Å; K46-F49 VanDerWaalsContact O-N 3.17Å; K46-F50 HydrophobicContact CB-CD2 4.3Å; K46-F50 WeakPolarHBondContact O-CB 3.43Å; K46-F50 VanDerWaalsContact O-CD2 3.32Å; K46-F50 WeakPolarHBondContact O-CD2 3.46Å; K46-F50 PolarHBondContact O-N 3.15Å; K46-C96 HydrophobicContact CB-CB 4.04Å
47F93.3Very high91.5Very high1 Ų156.3 Ų56.30%0.00428%0.28CS..Hα-helixtrans-60.8-46176.7-179.2-97.9000112.2M30 G43 A44 R45 F49 N51 I52 I55 L76 C96 I99 S100M30-F47 HydrophobicContact CE-CE1 3.87Å; M30-F47 HydrophobicContact CE-CZ 4.24Å; G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 3.23Å; A44-F47 WeakPolarHBondContact O-CB 3.34Å; A44-F47 PolarHBondContact O-N 3.15Å; R45-F47 VanDerWaalsContact C-N 3.34Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.42Å; F47-N51 HydrophobicContact CD2-CB 3.67Å; F47-N51 HydrophobicContact CE2-CB 3.73Å; F47-N51 HydrophobicContact CG-CB 4.32Å; F47-N51 HydrophobicContact CZ-CB 4.42Å; F47-N51 WeakPolarHBondContact O-CA 3.19Å; F47-N51 WeakPolarHBondContact O-CB 2.94Å; F47-N51 PolarHBondContact O-N 2.92Å; F47-I52 HydrophobicContact CD1-CD1 4.35Å; F47-I52 HydrophobicContact CD1-CG1 4.41Å; F47-I52 HydrophobicContact CE1-CD1 3.78Å; F47-I52 HydrophobicContact CE1-CG1 4.29Å; F47-I52 PolarHBondContact O-N 3.36Å; F47-I55 HydrophobicContact CE1-CD1 4.32Å; F47-I55 HydrophobicContact CE2-CD1 4.17Å; F47-I55 HydrophobicContact CZ-CD1 3.56Å; F47-L76 HydrophobicContact CE1-CD1 4.15Å; F47-L76 HydrophobicContact CE1-CD2 4.32Å; F47-L76 HydrophobicContact CZ-CD1 4.46Å; F47-C96 VanDerWaalsContact CA-SG 3.56Å; F47-I99 HydrophobicContact CB-CD1 4.31Å; F47-I99 HydrophobicContact CD1-CG2 4.26Å; F47-I99 HydrophobicContact CD2-CB 4.14Å; F47-I99 HydrophobicContact CD2-CG2 3.7Å; F47-I99 HydrophobicContact CE1-CG2 4.32Å; F47-I99 HydrophobicContact CE2-CB 4.49Å; F47-I99 HydrophobicContact CE2-CG2 3.78Å; F47-I99 HydrophobicContact CG-CG2 3.96Å; F47-I99 HydrophobicContact CZ-CG2 4.08Å; F47-S100 WeakPolarHBondContact CE2-OG 3.45Å
48V93.7Very high91.8Very high19 Ų1952.2 Ų52.212%0.11526%0.26CS..Hα-helixtrans-60.2-41.3173.9173.70000111.5V32 Y34 A44 R45 I52 M66V32-V48 HydrophobicContact CG1-CG2 3.6Å; Y34-V48 HydrophobicContact CD1-CG2 3.87Å; Y34-V48 HydrophobicContact CE1-CG1 4.18Å; Y34-V48 HydrophobicContact CE1-CG2 3.97Å; Y34-V48 HydrophobicContact CG-CG2 4.22Å; A44-V48 WeakPolarHBondContact O-CG2 3.35Å; A44-V48 PolarHBondContact O-N 3.26Å; R45-V48 PolarHBondContact O-N 2.95Å; V48-I52 HydrophobicContact CB-CG1 4.47Å; V48-I52 HydrophobicContact CG2-CG1 4.45Å; V48-M66 HydrophobicContact CG1-SD 3.58Å; V48-M66 VanDerWaalsContact CG1-SD 3.58Å
49F93.2Very high92.3Very high84 Ų8450.6 Ų50.637%0.36824%0.24SC..Hα-helixtrans-74.1-39.2-175.1-166.4-106.6000113.4Y7 R10 R45 K46 F47Y7-F49 AromaticContact CD2-CE1 3.61Å; Y7-F49 HydrophobicContact CD2-CE1 3.61Å; Y7-F49 AromaticContact CD2-CZ 3.99Å; Y7-F49 HydrophobicContact CD2-CZ 3.99Å; Y7-F49 HydrophobicContact CE2-CE1 4.26Å; Y7-F49 HydrophobicContact CG-CE1 4.32Å; R10-F49 PolarHBondContact NH1-O 3.4Å; R10-F49 VanDerWaalsContact NH2-CE2 3.34Å; R45-F49 WeakPolarHBondContact O-CB 3.33Å; R45-F49 PolarHBondContact O-N 2.97Å; K46-F49 PolarHBondContact O-N 3.45Å; K46-F49 VanDerWaalsContact O-N 3.17Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.42Å
50F92.8Very high92.7Very high56 Ų5646.2 Ų46.225%0.24623%0.226CC..Hα-helixtrans-101.4-42.4-173.8-70.4-71.8000113.3R10 Y15 K46R10-F50 VanDerWaalsContact CD-CD1 3.48Å; R10-F50 HydrophobicContact CG-CD1 4.08Å; R10-F50 HydrophobicContact CG-CE1 4.37Å; Y15-F50 WeakPolarHBondContact OH-CB 3.46Å; Y15-F50 PolarHBondContact OH-O 2.93Å; K46-F50 HydrophobicContact CB-CD2 4.3Å; K46-F50 WeakPolarHBondContact O-CB 3.43Å; K46-F50 VanDerWaalsContact O-CD2 3.32Å; K46-F50 WeakPolarHBondContact O-CD2 3.46Å; K46-F50 PolarHBondContact O-N 3.15Å
51N93.2Very high93.1Very high24 Ų2451.7 Ų51.713%0.12824%0.24CC..Hα-helixtrans-98.7-33-163-65.149000112.8F47 Q54 I55 C96 S100F47-N51 HydrophobicContact CD2-CB 3.67Å; F47-N51 HydrophobicContact CE2-CB 3.73Å; F47-N51 HydrophobicContact CG-CB 4.32Å; F47-N51 HydrophobicContact CZ-CB 4.42Å; F47-N51 WeakPolarHBondContact O-CA 3.19Å; F47-N51 WeakPolarHBondContact O-CB 2.94Å; F47-N51 PolarHBondContact O-N 2.92Å; N51-Q54 WeakPolarHBondContact O-CB 3.44Å; N51-Q54 PolarHBondContact O-N 2.92Å; N51-I55 WeakPolarHBondContact O-CG1 3.18Å; N51-I55 PolarHBondContact O-N 3.34Å; N51-C96 PolarHBondContact OD1-SG 3.16Å; N51-S100 PolarHBondContact ND2-OG 3.32Å
52I93.9Very high93.5Very high14 Ų1451.9 Ų51.97%0.07224%0.24CC..Hα-helixtrans-55.9-43.4177.6-67.4-67.2000113.1M30 V32 F47 V48 Q54 I55 Q56 I64M30-I52 HydrophobicContact CE-CD1 3.73Å; M30-I52 HydrophobicContact SD-CD1 4.43Å; V32-I52 HydrophobicContact CG2-CD1 3.95Å; F47-I52 HydrophobicContact CD1-CD1 4.35Å; F47-I52 HydrophobicContact CD1-CG1 4.41Å; F47-I52 HydrophobicContact CE1-CD1 3.78Å; F47-I52 HydrophobicContact CE1-CG1 4.29Å; F47-I52 PolarHBondContact O-N 3.36Å; V48-I52 HydrophobicContact CB-CG1 4.47Å; V48-I52 HydrophobicContact CG2-CG1 4.45Å; I52-Q54 VanDerWaalsContact C-N 3.28Å; I52-Q54 PolarHBondContact O-N 2.93Å; I52-I55 HydrophobicContact CD1-CD1 4.35Å; I52-I55 PolarHBondContact O-N 3.47Å; I52-Q56 PolarHBondContact O-N 3.46Å; I52-I64 HydrophobicContact CD1-CG2 4.22Å; I52-I64 HydrophobicContact CG2-CD1 4.39Å; I52-I64 HydrophobicContact CG2-CG2 4.24Å
53P94.5Very high93.6Very high46 Ų4652.9 Ų52.930%0.29925%0.245SC..Hα-helixtrans-58-39.8175-25.635.1000113.2L16 Y57L16-P53 HydrophobicContact CD2-CB 3.82Å; P53-Y57 WeakPolarHBondContact O-CB 3.44Å; P53-Y57 PolarHBondContact O-N 3.42Å
54Q94.4Very high93.8Very high26 Ų2653.8 Ų53.812%0.12125%0.247CC..Hα-helixtrans-67.5-43.7178.3-61.9-178.8-34.400111.4Y15 N51 I52 Y57 K58Y15-Q54 HydrophobicContact CD1-CG 4.04Å; Y15-Q54 HydrophobicContact CE1-CG 3.69Å; Y15-Q54 PolarHBondContact O-NE2 2.87Å; N51-Q54 WeakPolarHBondContact O-CB 3.44Å; N51-Q54 PolarHBondContact O-N 2.92Å; I52-Q54 VanDerWaalsContact C-N 3.28Å; I52-Q54 PolarHBondContact O-N 2.93Å; Q54-Y57 PolarHBondContact O-N 2.86Å; Q54-K58 WeakPolarHBondContact O-CG 3.39Å; Q54-K58 PolarHBondContact O-N 2.96Å; Q54-K58 VanDerWaalsContact O-N 3.09Å
55I94.4Very high94Very high3 Ų357 Ų572%0.01526%0.262CS..Hα-helixtrans-61.9-49.2177.8-65.1167.9000110.1I21 F23 F47 N51 I52 Y57 K58 N59 I64I21-I55 HydrophobicContact CB-CG1 4.12Å; I21-I55 HydrophobicContact CD1-CD1 3.94Å; I21-I55 HydrophobicContact CD1-CG1 4.1Å; I21-I55 HydrophobicContact CG2-CG1 4.34Å; F23-I55 HydrophobicContact CD2-CG2 4.27Å; F23-I55 HydrophobicContact CE2-CG2 3.36Å; F23-I55 HydrophobicContact CZ-CG2 3.87Å; F47-I55 HydrophobicContact CE1-CD1 4.32Å; F47-I55 HydrophobicContact CE2-CD1 4.17Å; F47-I55 HydrophobicContact CZ-CD1 3.56Å; N51-I55 WeakPolarHBondContact O-CG1 3.18Å; N51-I55 PolarHBondContact O-N 3.34Å; I52-I55 HydrophobicContact CD1-CD1 4.35Å; I52-I55 PolarHBondContact O-N 3.47Å; I55-Y57 VanDerWaalsContact C-N 3.28Å; I55-Y57 PolarHBondContact O-N 3.14Å; I55-K58 PolarHBondContact O-N 3.23Å; I55-N59 WeakPolarHBondContact O-CB 3.43Å; I55-N59 PolarHBondContact O-N 2.9Å; I55-N59 PolarHBondContact O-OD1 3.25Å; I55-I64 HydrophobicContact CB-CD1 4.41Å; I55-I64 HydrophobicContact CG2-CD1 3.88Å
56Q94.7Very high94Very high68 Ų6858.2 Ų58.232%0.31827%0.272SS..Hα-helixtrans-61.6-38.3179.7-170.266.253.300111.9I52 N59 V62 I64I52-Q56 PolarHBondContact O-N 3.46Å; Q56-N59 CarbonylContact O-C 3.55Å; Q56-N59 VanDerWaalsContact O-C 3.28Å; Q56-N59 PolarHBondContact O-N 3.23Å; Q56-V62 PolarHBondContact NE2-O 2.9Å; Q56-V62 VanDerWaalsContact NE2-O 3.09Å; Q56-I64 HydrophobicContact CB-CD1 4.15Å
57Y95.2Very high94.1Very high101 Ų10157.8 Ų57.840%0.39627%0.27SS..Hα-helixtrans-65-40.3178.2-176.9-96000112.3L13 L16 Q17 P53 Q54 I55L13-Y57 HydrophobicContact CD2-CE2 4.08Å; L16-Y57 HydrophobicContact CB-CD1 3.8Å; L16-Y57 HydrophobicContact CB-CD2 4.04Å; L16-Y57 HydrophobicContact CB-CE1 4.27Å; L16-Y57 HydrophobicContact CB-CE2 4.46Å; L16-Y57 HydrophobicContact CB-CG 3.68Å; L16-Y57 HydrophobicContact CD1-CD2 3.84Å; L16-Y57 HydrophobicContact CD1-CE2 4.31Å; L16-Y57 HydrophobicContact CD1-CG 4.25Å; L16-Y57 HydrophobicContact CG-CG 4.44Å; Q17-Y57 HydrophobicContact CG-CE1 3.94Å; P53-Y57 WeakPolarHBondContact O-CB 3.44Å; P53-Y57 PolarHBondContact O-N 3.42Å; Q54-Y57 PolarHBondContact O-N 2.86Å; I55-Y57 VanDerWaalsContact C-N 3.28Å; I55-Y57 PolarHBondContact O-N 3.14Å
58K93.4Very high94.1Very high68 Ų6863.8 Ų63.830%0.29630%0.296SS..Hα-helixtrans-78-26.1177.8-68.4-69.8-177.2162.70113.1Q17 G19 I22 Q54 I55 P60Q17-K58 WeakPolarHBondContact O-CE 3.42Å; Q17-K58 PolarHBondContact O-NZ 3.42Å; G19-K58 VanDerWaalsContact O-CE 3.24Å; G19-K58 WeakPolarHBondContact O-CE 3.48Å; I22-K58 HydrophobicContact CG1-CB 4.23Å; I22-K58 HydrophobicContact CG1-CD 4.44Å; Q54-K58 WeakPolarHBondContact O-CG 3.39Å; Q54-K58 PolarHBondContact O-N 2.96Å; Q54-K58 VanDerWaalsContact O-N 3.09Å; I55-K58 PolarHBondContact O-N 3.23Å; K58-P60 VanDerWaalsContact C-CD 3.44Å; K58-P60 WeakPolarHBondContact O-CD 3.15Å
59N94.5Very high93.9Very high14 Ų1467.2 Ų67.28%0.07531%0.314CS..  trans-123.268.3-177.1-61.9111.9000111.2I21 F23 I55 Q56 W61 V62I21-N59 PolarHBondContact O-OD1 3.33Å; F23-N59 HydrophobicContact CD2-CB 4.11Å; F23-N59 WeakPolarHBondContact CD2-OD1 3.48Å; F23-N59 PolarHBondContact N-ND2 2.81Å; F23-N59 VanDerWaalsContact N-ND2 3.15Å; F23-N59 PolarHBondContact N-OD1 2.83Å; I55-N59 WeakPolarHBondContact O-CB 3.43Å; I55-N59 PolarHBondContact O-N 2.9Å; I55-N59 PolarHBondContact O-OD1 3.25Å; Q56-N59 CarbonylContact O-C 3.55Å; Q56-N59 VanDerWaalsContact O-C 3.28Å; Q56-N59 PolarHBondContact O-N 3.23Å; N59-W61 PolarHBondContact O-N 3.33Å; N59-W61 VanDerWaalsContact O-N 3.14Å; N59-V62 HydrophobicContact CB-CB 4.08Å; N59-V62 HydrophobicContact CB-CG2 3.89Å; N59-V62 PolarHBondContact O-N 3.24Å; N59-V62 VanDerWaalsContact O-N 3.15Å
60P93.9Very high93.8Very high82 Ų8269.5 Ų69.553%0.53233%0.328SS..THydrogen-bonded Turntrans-64-23.5-176.325.7-34.9000113.5K58K58-P60 VanDerWaalsContact C-CD 3.44Å; K58-P60 WeakPolarHBondContact O-CD 3.15Å
61W92.9Very high93.5Very high223 Ų22368.9 Ų68.985%0.84533%0.328SS*.THydrogen-bonded Turntrans-92.14.5-178.4-51.4110.4000114.1N59N59-W61 PolarHBondContact O-N 3.33Å; N59-W61 VanDerWaalsContact O-N 3.14Å
62V93.9Very high93.3Very high10 Ų1073.6 Ų73.66%0.06136%0.36CS..SBendtrans-103127.6175.7177.50000108F23 V27 K28 M30 Q56 N59F23-V62 HydrophobicContact CD2-CG1 4.36Å; F23-V62 HydrophobicContact CD2-CG2 4.23Å; V27-V62 HydrophobicContact CG1-CG1 4.36Å; K28-V62 WeakPolarHBondContact O-CA 3.49Å; K28-V62 WeakPolarHBondContact O-CG1 3.42Å; M30-V62 HydrophobicContact CB-CG1 4.45Å; Q56-V62 PolarHBondContact NE2-O 2.9Å; Q56-V62 VanDerWaalsContact NE2-O 3.09Å; N59-V62 HydrophobicContact CB-CB 4.08Å; N59-V62 HydrophobicContact CB-CG2 3.89Å; N59-V62 PolarHBondContact O-N 3.24Å; N59-V62 VanDerWaalsContact O-N 3.15Å
63Q94.2Very high93Very high108 Ų10874.8 Ų74.851%0.50537%0.37SS..EExtended strand (participates in β ladder)trans-82.6119.8175.4-177.8176.8-12.100109.3K28 I29 M30 M65K28-Q63 PolarHBondContact O-N 3.16Å; I29-Q63 WeakPolarHBondContact CA-O 3.41Å; M30-Q63 PolarHBondContact N-O 2.75Å; Q63-M65 HydrophobicContact CG-CG 4.27Å
64I95.5Very high93Very high28 Ų2872.7 Ų72.714%0.14436%0.356CS..EExtended strand (participates in β ladder)trans-105.4121.3174.8-55.9-178.8000109M30 V32 I52 I55 Q56M30-I64 HydrophobicContact CB-CG1 4.27Å; M30-I64 CarbonylContact O-C 3.56Å; M30-I64 VanDerWaalsContact O-CA 3.3Å; M30-I64 WeakPolarHBondContact O-CA 3.34Å; M30-I64 HydrophobicContact SD-CD1 4.31Å; M30-I64 HydrophobicContact SD-CG1 4.4Å; V32-I64 HydrophobicContact CG2-CG2 4.31Å; I52-I64 HydrophobicContact CD1-CG2 4.22Å; I52-I64 HydrophobicContact CG2-CD1 4.39Å; I52-I64 HydrophobicContact CG2-CG2 4.24Å; I55-I64 HydrophobicContact CB-CD1 4.41Å; I55-I64 HydrophobicContact CG2-CD1 3.88Å; Q56-I64 HydrophobicContact CB-CD1 4.15Å
65M95.2Very high93Very high71 Ų7173.6 Ų73.635%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-114.4142.3172.7-63.1-161.6-70.700110.5I29 M30 T31 V32 Q63 F67I29-M65 HydrophobicContact CG2-CE 4.4Å; M30-M65 PolarHBondContact O-N 3.39Å; T31-M65 CarbonylContact C-O 3.54Å; T31-M65 WeakPolarHBondContact CA-O 3.48Å; T31-M65 HydrophobicContact CG2-CB 4.31Å; T31-M65 HydrophobicContact CG2-CE 4.09Å; V32-M65 PolarHBondContact N-O 3.45Å; Q63-M65 HydrophobicContact CG-CG 4.27Å; M65-F67 HydrophobicContact CB-CE2 4.19Å; M65-F67 HydrophobicContact CB-CZ 4.32Å; M65-F67 HydrophobicContact CE-CZ 4.25Å; M65-F67 HydrophobicContact SD-CZ 4.48Å
66M94.6Very high93Very high94 Ų9473.5 Ų73.546%0.46336%0.359SS..EExtended strand (participates in β ladder)trans-123.5127-178.1-64.1176.2-73.700109.7V32 Y34 V48V32-M66 HydrophobicContact CB-CG 4.17Å; V32-M66 HydrophobicContact CG2-CG 4.46Å; V32-M66 CarbonylContact O-C 3.28Å; V32-M66 WeakPolarHBondContact O-CA 3.24Å; Y34-M66 HydrophobicContact CE1-CB 4.33Å; V48-M66 HydrophobicContact CG1-SD 3.58Å; V48-M66 VanDerWaalsContact CG1-SD 3.58Å
67F94.5Very high92.9Very high74 Ų7472.5 Ų72.533%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-117.9138.8176.8-58.8-74.2000109.4T31 V32 N33 Y34 M65 M70T31-F67 HydrophobicContact CG2-CE2 3.94Å; V32-F67 PolarHBondContact O-N 3.34Å; N33-F67 WeakPolarHBondContact CA-O 3.46Å; N33-F67 VanDerWaalsContact OD1-CB 3.25Å; N33-F67 WeakPolarHBondContact OD1-CB 3.25Å; Y34-F67 PolarHBondContact N-O 2.85Å; Y34-F67 VanDerWaalsContact N-O 3.09Å; M65-F67 HydrophobicContact CB-CE2 4.19Å; M65-F67 HydrophobicContact CB-CZ 4.32Å; M65-F67 HydrophobicContact CE-CZ 4.25Å; M65-F67 HydrophobicContact SD-CZ 4.48Å; F67-M70 HydrophobicContact CB-CG 4.24Å; F67-M70 HydrophobicContact CD1-CE 4.24Å; F67-M70 HydrophobicContact CG-CE 4.41Å
68K93.1Very high92.9Very high126 Ų12667.7 Ų67.755%0.54834%0.335SS..EExtended strand (participates in β ladder)trans-114.9134.7-176.5-56-176.6-165.6-178.90109.7Y34 T36 M70Y34-K68 HydrophobicContact CE1-CG 3.91Å; Y34-K68 HydrophobicContact CE2-CG 4.48Å; Y34-K68 WeakPolarHBondContact O-CA 3.3Å; Y34-K68 WeakPolarHBondContact OH-CE 3.47Å; T36-K68 HydrophobicContact CG2-CD 4.39Å; K68-M70 PolarHBondContact O-N 3.42Å; K68-M70 VanDerWaalsContact O-N 3.14Å
69N90.9Very high92.8Very high91 Ų9167.9 Ų67.949%0.48734%0.335SS..SBendtrans55.630.4170.5-54.5-28.7000114.7Y34 N35 T36Y34-N69 PolarHBondContact O-N 3.33Å; Y34-N69 VanDerWaalsContact O-N 3.13Å; N35-N69 WeakPolarHBondContact CA-OD1 3.33Å; N35-N69 WeakPolarHBondContact OD1-CA 3.46Å; T36-N69 PolarHBondContact N-OD1 3Å; T36-N69 PolarHBondContact OG1-ND2 3.45Å; T36-N69 PolarHBondContact OG1-OD1 3.17Å
70M90.1Very high92.5Very high133 Ų13368.1 Ų68.166%0.65534%0.336SS*.SBendtrans-87.2-28.5175.7-73.4-112.9-70.300112.5F67 K68F67-M70 HydrophobicContact CB-CG 4.24Å; F67-M70 HydrophobicContact CD1-CE 4.24Å; F67-M70 HydrophobicContact CG-CE 4.41Å; K68-M70 PolarHBondContact O-N 3.42Å; K68-M70 VanDerWaalsContact O-N 3.14Å
71T87.1Confident91.5Very high42 Ų4269.3 Ų69.326%0.25834%0.337SS..SBendtrans-131.8149.8-177.853.90000111N35 S73 F75N35-T71 PolarHBondContact ND2-O 2.95Å; N35-T71 PolarHBondContact OD1-O 3.29Å; T71-S73 VanDerWaalsContact C-N 3.28Å; T71-S73 PolarHBondContact O-N 3.02Å; T71-S73 PolarHBondContact OG1-O 2.98Å; T71-F75 HydrophobicContact CG2-CE1 3.74Å; T71-F75 HydrophobicContact CG2-CZ 4.38Å; T71-F75 VanDerWaalsContact OG1-CE1 3.32Å; T71-F75 WeakPolarHBondContact OG1-CE1 3.35Å
72P87.6Confident90.2Very high123 Ų12363 Ų6380%0.79932%0.32SS*.SBendtrans-65.5-30.2-17825.1-33.7000113.1N35N35-P72 VanDerWaalsContact ND2-C 3.3Å; N35-P72 PolarHBondContact ND2-O 3.23Å
73S89.1Confident89Confident39 Ų3969 Ų6927%0.27335%0.352SS..SBendtrans-112.2146.5175.555.80000112.3T71 E92T71-S73 VanDerWaalsContact C-N 3.28Å; T71-S73 PolarHBondContact O-N 3.02Å; T71-S73 PolarHBondContact OG1-O 2.98Å; S73-E92 VanDerWaalsContact CB-OE2 3.25Å; S73-E92 WeakPolarHBondContact CB-OE2 3.46Å
74P93.6Very high88.1Confident3 Ų366.3 Ų66.32%0.01935%0.353CS..  trans-81.4136.8177.733.8-35.5000112N33 A44 V91 E92N33-P74 CarbonylContact O-C 3.56Å; N33-P74 VanDerWaalsContact O-CA 3.28Å; N33-P74 WeakPolarHBondContact O-CA 3.48Å; A44-P74 HydrophobicContact CB-CB 3.93Å; A44-P74 HydrophobicContact CB-CG 4.37Å; P74-V91 HydrophobicContact CB-CG2 3.91Å; P74-V91 HydrophobicContact CG-CG2 4.19Å; P74-V91 WeakPolarHBondContact O-CG2 3.38Å; P74-V91 PolarHBondContact O-N 3.09Å; P74-E92 HydrophobicContact CG-CB 4.21Å
75F93.8Very high87.7Confident44 Ų4470.2 Ų70.219%0.19337%0.371CS..EExtended strand (participates in β ladder)trans-147.9156.5176.965.6-90.9000112.1N33 T71 K77 L88 V89N33-F75 HydrophobicContact CB-CD1 3.97Å; N33-F75 HydrophobicContact CB-CD2 4.38Å; N33-F75 HydrophobicContact CB-CE1 3.71Å; N33-F75 HydrophobicContact CB-CE2 4.18Å; N33-F75 HydrophobicContact CB-CG 4.31Å; N33-F75 HydrophobicContact CB-CZ 3.84Å; N33-F75 PolarHBondContact N-O 2.81Å; N33-F75 WeakPolarHBondContact ND2-CE2 3.36Å; N33-F75 WeakPolarHBondContact ND2-CZ 3.41Å; N33-F75 PolarHBondContact O-N 3.15Å; T71-F75 HydrophobicContact CG2-CE1 3.74Å; T71-F75 HydrophobicContact CG2-CZ 4.38Å; T71-F75 VanDerWaalsContact OG1-CE1 3.32Å; T71-F75 WeakPolarHBondContact OG1-CE1 3.35Å; F75-K77 HydrophobicContact CD2-CB 4.15Å; F75-K77 HydrophobicContact CE2-CB 4.08Å; F75-L88 HydrophobicContact CB-CD1 4.2Å; F75-L88 HydrophobicContact CD2-CD1 3.29Å; F75-L88 HydrophobicContact CE2-CD1 3.82Å; F75-L88 HydrophobicContact CG-CD1 3.93Å; F75-V89 WeakPolarHBondContact CA-O 3.28Å
76L94.2Very high87.5Confident2 Ų272 Ų721%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-104.8138.4169.5-55.4175.6000108.7M30 V32 F47 F78 V89 V91 I99 V103M30-L76 HydrophobicContact CE-CD1 4.32Å; M30-L76 HydrophobicContact CE-CD2 4.01Å; V32-L76 HydrophobicContact CB-CD2 3.99Å; V32-L76 HydrophobicContact CG1-CD2 3.62Å; V32-L76 HydrophobicContact CG2-CD2 3.77Å; F47-L76 HydrophobicContact CE1-CD1 4.15Å; F47-L76 HydrophobicContact CE1-CD2 4.32Å; F47-L76 HydrophobicContact CZ-CD1 4.46Å; L76-F78 HydrophobicContact CB-CE2 3.86Å; L76-F78 HydrophobicContact CB-CZ 4.28Å; L76-F78 HydrophobicContact CD1-CZ 4.42Å; L76-V89 HydrophobicContact CB-CB 4.22Å; L76-V89 PolarHBondContact N-O 2.67Å; L76-V89 PolarHBondContact O-N 3.19Å; L76-V91 HydrophobicContact CD1-CG1 3.87Å; L76-V91 HydrophobicContact CG-CG1 3.83Å; L76-I99 HydrophobicContact CD1-CG2 3.8Å; L76-V103 HydrophobicContact CD1-CG2 3.76Å
77K94.3Very high87.4Confident46 Ų4668.7 Ų68.720%0.236%0.363CS..EExtended strand (participates in β ladder)trans-131.5131.6175.2178.7177.8-175.7-172.20109.8T31 F75 Y79 V87 L88T31-K77 PolarHBondContact N-O 2.91Å; T31-K77 PolarHBondContact O-N 3.14Å; T31-K77 WeakPolarHBondContact OG1-CB 3.49Å; T31-K77 PolarHBondContact OG1-O 3.37Å; T31-K77 VanDerWaalsContact OG1-O 3.09Å; F75-K77 HydrophobicContact CD2-CB 4.15Å; F75-K77 HydrophobicContact CE2-CB 4.08Å; K77-Y79 HydrophobicContact CD-CE1 4.44Å; K77-Y79 HydrophobicContact CD-CE2 4.22Å; K77-Y79 WeakPolarHBondContact CD-OH 3.49Å; K77-Y79 VanDerWaalsContact CE-CZ 3.49Å; K77-Y79 WeakPolarHBondContact CE-OH 3.34Å; K77-Y79 HydrophobicContact CG-CE2 4Å; K77-Y79 PolarHBondContact NZ-OH 2.95Å; K77-V87 CarbonylContact C-O 3.59Å; K77-V87 WeakPolarHBondContact CA-O 3.33Å; K77-L88 HydrophobicContact CB-CD1 4.1Å; K77-L88 HydrophobicContact CG-CD1 4.49Å
78F93.8Very high87.3Confident1 Ų170.8 Ų70.80%0.00438%0.377CS..EExtended strand (participates in β ladder)trans-117.2139.6-178.3-58.1-93.4000109.5F23 V27 I29 M30 L76 Q86 V87 V89 V103 L107F23-F78 AromaticContact CE1-CE1 3.89Å; F23-F78 HydrophobicContact CE1-CE1 3.89Å; F23-F78 AromaticContact CZ-CE1 3.74Å; F23-F78 HydrophobicContact CZ-CE1 3.74Å; V27-F78 HydrophobicContact CG1-CD1 4.05Å; I29-F78 WeakPolarHBondContact O-CA 3.38Å; M30-F78 HydrophobicContact CB-CD1 3.95Å; M30-F78 HydrophobicContact CB-CE1 4Å; M30-F78 HydrophobicContact CE-CE1 4.16Å; M30-F78 HydrophobicContact CE-CZ 4.12Å; M30-F78 HydrophobicContact CG-CD1 3.93Å; M30-F78 HydrophobicContact CG-CE1 3.54Å; M30-F78 HydrophobicContact CG-CZ 4.2Å; M30-F78 HydrophobicContact SD-CE1 3.64Å; M30-F78 HydrophobicContact SD-CZ 4.22Å; L76-F78 HydrophobicContact CB-CE2 3.86Å; L76-F78 HydrophobicContact CB-CZ 4.28Å; L76-F78 HydrophobicContact CD1-CZ 4.42Å; F78-Q86 WeakPolarHBondContact O-CA 3.33Å; F78-V87 HydrophobicContact CB-CB 4.28Å; F78-V87 HydrophobicContact CD2-CB 4.5Å; F78-V87 PolarHBondContact N-O 3.04Å; F78-V87 PolarHBondContact O-N 3.08Å; F78-V89 HydrophobicContact CD2-CG2 4.49Å; F78-V89 HydrophobicContact CE2-CG2 4.15Å; F78-V103 HydrophobicContact CE1-CG1 4.46Å; F78-V103 HydrophobicContact CZ-CG1 3.93Å; F78-V103 HydrophobicContact CZ-CG2 4.12Å; F78-L107 HydrophobicContact CB-CD1 3.64Å; F78-L107 HydrophobicContact CD1-CD1 3.5Å; F78-L107 VanDerWaalsContact CD1-CD1 3.5Å; F78-L107 HydrophobicContact CD2-CD1 3.46Å; F78-L107 VanDerWaalsContact CD2-CD1 3.46Å; F78-L107 HydrophobicContact CE1-CD1 3.93Å; F78-L107 HydrophobicContact CE2-CD1 3.91Å; F78-L107 HydrophobicContact CG-CD1 3.23Å; F78-L107 HydrophobicContact CZ-CD1 4.12Å
79Y91.2Very high87.3Confident72 Ų7265 Ų6528%0.28235%0.353SS..EExtended strand (participates in β ladder)trans-112.7121.7176.5-57.4-97.1000108.7K28 I29 T31 K77 Q86K28-Y79 PolarHBondContact N-O 3.49Å; I29-Y79 HydrophobicContact CB-CD2 3.9Å; I29-Y79 HydrophobicContact CB-CG 4.36Å; I29-Y79 HydrophobicContact CG2-CD2 3.97Å; I29-Y79 HydrophobicContact CG2-CE2 4.49Å; I29-Y79 PolarHBondContact O-N 3.42Å; T31-Y79 HydrophobicContact CG2-CE2 3.76Å; K77-Y79 HydrophobicContact CD-CE1 4.44Å; K77-Y79 HydrophobicContact CD-CE2 4.22Å; K77-Y79 WeakPolarHBondContact CD-OH 3.49Å; K77-Y79 VanDerWaalsContact CE-CZ 3.49Å; K77-Y79 WeakPolarHBondContact CE-OH 3.34Å; K77-Y79 HydrophobicContact CG-CE2 4Å; K77-Y79 PolarHBondContact NZ-OH 2.95Å; Y79-Q86 HydrophobicContact CD1-CG 3.86Å; Y79-Q86 HydrophobicContact CE1-CG 4.04Å
80L88.4Confident87.4Confident18 Ų1864.6 Ų64.69%0.09435%0.35CS..EExtended strand (participates in β ladder)trans-97.8139.9179.8-58.8178.7000110.1K26 V27 E85 V87 L107K26-L80 HydrophobicContact CB-CD2 4.05Å; K26-L80 WeakPolarHBondContact O-CA 3.38Å; V27-L80 HydrophobicContact CB-CD2 4.24Å; V27-L80 HydrophobicContact CG2-CD2 3.64Å; L80-E85 HydrophobicContact CB-CB 4.3Å; L80-E85 HydrophobicContact CD1-CB 4.2Å; L80-E85 HydrophobicContact CD1-CG 4.32Å; L80-E85 PolarHBondContact N-O 3.27Å; L80-V87 HydrophobicContact CD1-CG2 3.99Å; L80-L107 HydrophobicContact CD2-CD2 4.21Å
81L73Confident87.5Confident108 Ų10858.4 Ų58.457%0.56532%0.32SS*.THydrogen-bonded Turntrans-73.4-37.3-174-111174.8000114.5K26 K28 D83K26-L81 PolarHBondContact O-N 3.42Å; K28-L81 HydrophobicContact CB-CG 4.47Å; K28-L81 HydrophobicContact CD-CD1 3.8Å; K28-L81 HydrophobicContact CG-CB 4.26Å; K28-L81 HydrophobicContact CG-CD1 3.29Å; K28-L81 HydrophobicContact CG-CG 3.49Å; K28-L81 VanDerWaalsContact CG-CG 3.49Å; L81-D83 PolarHBondContact O-N 2.82Å
82D67.1Low87.7Confident91 Ų9159.9 Ų59.949%0.48732%0.324SS..THydrogen-bonded Turntrans-67.7-37.7-161.6-63-11.1000112K26K26-D82 WeakPolarHBondContact CD-OD2 3.32Å; K26-D82 WeakPolarHBondContact CE-OD2 3.36Å; K26-D82 WeakPolarHBondContact CG-OD2 3.39Å; K26-D82 IonicContact NZ-OD2 2.74Å; K26-D82 PolarHBondContact NZ-OD2 2.91Å
83D67.4Low87.8Confident135 Ų13556.7 Ų56.772%0.72231%0.313SS*.THydrogen-bonded Turntrans-133.26.4-172.4-57.1-58.6000113.7L81 E85L81-D83 PolarHBondContact O-N 2.82Å; D83-E85 PolarHBondContact O-N 2.75Å
84G76.4Confident87.9Confident52 Ų5258 Ų5854%0.53631%0.314SS..  trans6912.2-17000000113.9
85E86.3Confident87.9Confident110 Ų11061 Ų6151%0.51433%0.33SS..  trans-58.9135.9179.6-170.3-175.2-17600111.1L80 D83L80-E85 HydrophobicContact CB-CB 4.3Å; L80-E85 HydrophobicContact CD1-CB 4.2Å; L80-E85 HydrophobicContact CD1-CG 4.32Å; L80-E85 PolarHBondContact N-O 3.27Å; D83-E85 PolarHBondContact O-N 2.75Å
86Q90.9Very high87.7Confident108 Ų10859.5 Ų59.551%0.50533%0.325SS..EExtended strand (participates in β ladder)trans-116.7119.5-178.4-59.7-179.913.700109.2F78 Y79F78-Q86 WeakPolarHBondContact O-CA 3.33Å; Y79-Q86 HydrophobicContact CD1-CG 3.86Å; Y79-Q86 HydrophobicContact CE1-CG 4.04Å
87V91.7Very high87.6Confident25 Ų2566.8 Ų66.815%0.15236%0.356CS..EExtended strand (participates in β ladder)trans-99.3115.2175.9-177.70000108.3K77 F78 L80 V89 I106 L107K77-V87 CarbonylContact C-O 3.59Å; K77-V87 WeakPolarHBondContact CA-O 3.33Å; F78-V87 HydrophobicContact CB-CB 4.28Å; F78-V87 HydrophobicContact CD2-CB 4.5Å; F78-V87 PolarHBondContact N-O 3.04Å; F78-V87 PolarHBondContact O-N 3.08Å; L80-V87 HydrophobicContact CD1-CG2 3.99Å; V87-V89 HydrophobicContact CG1-CG2 4.14Å; V87-I106 HydrophobicContact CG1-CG2 4.23Å; V87-L107 HydrophobicContact CG2-CD2 4.46Å
88L93.3Very high87.5Confident117 Ų11769.6 Ų69.661%0.61337%0.37SS*.EExtended strand (participates in β ladder)trans-97.7129.1173.9-172.971.1000109.5F75 K77F75-L88 HydrophobicContact CB-CD1 4.2Å; F75-L88 HydrophobicContact CD2-CD1 3.29Å; F75-L88 HydrophobicContact CE2-CD1 3.82Å; F75-L88 HydrophobicContact CG-CD1 3.93Å; K77-L88 HydrophobicContact CB-CD1 4.1Å; K77-L88 HydrophobicContact CG-CD1 4.49Å
89V93.5Very high87.4Confident6 Ų669.6 Ų69.64%0.03637%0.37CS..EExtended strand (participates in β ladder)trans-125.6110.2177.6175.70000108.3F75 L76 F78 V87 V91 H102 I106F75-V89 WeakPolarHBondContact CA-O 3.28Å; L76-V89 HydrophobicContact CB-CB 4.22Å; L76-V89 PolarHBondContact N-O 2.67Å; L76-V89 PolarHBondContact O-N 3.19Å; F78-V89 HydrophobicContact CD2-CG2 4.49Å; F78-V89 HydrophobicContact CE2-CG2 4.15Å; V87-V89 HydrophobicContact CG1-CG2 4.14Å; V89-V91 HydrophobicContact CG1-CG1 4.09Å; V89-H102 VanDerWaalsContact CG1-CD2 3.46Å; V89-H102 WeakPolarHBondContact CG1-CD2 3.31Å; V89-I106 HydrophobicContact CG2-CD1 4.09Å
90D93.1Very high87.5Confident82 Ų8267 Ų6744%0.43936%0.362SS..EExtended strand (participates in β ladder)trans-70.2132.6171.1-177.114.7000110.4E92 K94D90-E92 WeakPolarHBondContact OD1-CB 3.46Å; D90-E92 PolarHBondContact OD1-N 3.25Å; D90-K94 WeakPolarHBondContact O-CE 3.45Å; D90-K94 PolarHBondContact O-NZ 3.17Å
91V92.3Very high87.7Confident2 Ų272.7 Ų72.71%0.01239%0.389CS..  trans-123.511.3-178.3-60.30000113.2A44 P74 L76 V89 G93 K94 I99A44-V91 HydrophobicContact CB-CG2 4.01Å; P74-V91 HydrophobicContact CB-CG2 3.91Å; P74-V91 HydrophobicContact CG-CG2 4.19Å; P74-V91 WeakPolarHBondContact O-CG2 3.38Å; P74-V91 PolarHBondContact O-N 3.09Å; L76-V91 HydrophobicContact CD1-CG1 3.87Å; L76-V91 HydrophobicContact CG-CG1 3.83Å; V89-V91 HydrophobicContact CG1-CG1 4.09Å; V91-G93 PolarHBondContact O-N 3.07Å; V91-K94 PolarHBondContact O-N 3.05Å; V91-I99 HydrophobicContact CB-CD1 3.82Å; V91-I99 HydrophobicContact CB-CG1 3.95Å; V91-I99 HydrophobicContact CG1-CB 4.5Å; V91-I99 HydrophobicContact CG1-CD1 4.19Å; V91-I99 HydrophobicContact CG1-CG1 3.91Å; V91-I99 HydrophobicContact CG1-CG2 3.87Å
92E91.5Very high88.7Confident74 Ų7470.9 Ų70.935%0.34638%0.377SS..THydrogen-bonded Turntrans-62.5133.7175-167.8164.8-158.900111.7L40 S73 P74 D90 K94L40-E92 HydrophobicContact CB-CG 3.92Å; L40-E92 WeakPolarHBondContact CD1-OE1 3.39Å; S73-E92 VanDerWaalsContact CB-OE2 3.25Å; S73-E92 WeakPolarHBondContact CB-OE2 3.46Å; P74-E92 HydrophobicContact CG-CB 4.21Å; D90-E92 WeakPolarHBondContact OD1-CB 3.46Å; D90-E92 PolarHBondContact OD1-N 3.25Å; E92-K94 PolarHBondContact O-N 3.36Å
93G88.9Confident89.9Confident56 Ų5666.6 Ų66.658%0.57735%0.354SS*.THydrogen-bonded Turntrans67.20.9178.600000115.6L40 V91L40-G93 PolarHBondContact O-N 2.95Å; V91-G93 PolarHBondContact O-N 3.07Å
94K91.3Very high91.1Very high65 Ų6562.3 Ų62.328%0.28333%0.329SS..  trans-88.7143.1179-65.1-176.8-172.9164.30111.3G43 D90 V91 E92 I99G43-K94 WeakPolarHBondContact CA-O 3.37Å; D90-K94 WeakPolarHBondContact O-CE 3.45Å; D90-K94 PolarHBondContact O-NZ 3.17Å; V91-K94 PolarHBondContact O-N 3.05Å; E92-K94 PolarHBondContact O-N 3.36Å; K94-I99 HydrophobicContact CB-CD1 4.31Å; K94-I99 HydrophobicContact CB-CG1 3.78Å
95D92.9Very high91.9Very high68 Ų6868.6 Ų68.636%0.36434%0.342SS..  trans-74.3156.2171.3-177.348.6000111.8K97 Q98 I99D95-K97 PolarHBondContact O-N 2.85Å; D95-K97 PolarHBondContact OD2-N 2.68Å; D95-Q98 HydrophobicContact CB-CG 4.37Å; D95-Q98 WeakPolarHBondContact O-CB 3.37Å; D95-Q98 PolarHBondContact O-N 2.65Å; D95-I99 WeakPolarHBondContact O-CG1 3.44Å; D95-I99 PolarHBondContact O-N 3Å
96C90.3Very high92.1Very high12 Ų1266.2 Ų66.28%0.08133%0.332CS..Hα-helixtrans-52.5-39.8178.4179.70000113.2K46 F47 N51 S100K46-C96 HydrophobicContact CB-CB 4.04Å; F47-C96 VanDerWaalsContact CA-SG 3.56Å; N51-C96 PolarHBondContact OD1-SG 3.16Å; C96-S100 WeakPolarHBondContact O-CB 3.49Å; C96-S100 PolarHBondContact O-N 3.47Å; C96-S100 VanDerWaalsContact O-N 3.08Å; C96-S100 PolarHBondContact O-OG 3.46Å
97K91.4Very high92.2Very high155 Ų15561.7 Ų61.767%0.67431%0.311SS*.Hα-helixtrans-68.1-41.7178.1-67.8-179.2-179.8177.70111.8D95 S100 Q101D95-K97 PolarHBondContact O-N 2.85Å; D95-K97 PolarHBondContact OD2-N 2.68Å; K97-S100 PolarHBondContact O-N 3.13Å; K97-Q101 WeakPolarHBondContact O-CG 3.35Å; K97-Q101 PolarHBondContact O-N 2.92Å
98Q93.3Very high92.2Very high104 Ų10460.8 Ų60.849%0.48631%0.307SS..Hα-helixtrans-64.5-43.2178.3-66.4174.5-29.600111D95 S100 Q101 H102D95-Q98 HydrophobicContact CB-CG 4.37Å; D95-Q98 WeakPolarHBondContact O-CB 3.37Å; D95-Q98 PolarHBondContact O-N 2.65Å; Q98-S100 VanDerWaalsContact C-N 3.3Å; Q98-S100 PolarHBondContact O-N 3.21Å; Q98-Q101 PolarHBondContact O-N 3.29Å; Q98-H102 VanDerWaalsContact O-CB 3.24Å; Q98-H102 WeakPolarHBondContact O-CB 3.4Å; Q98-H102 PolarHBondContact O-N 3.34Å
99I92.4Very high92.2Very high2 Ų256.7 Ų56.71%0.0128%0.284CS..Hα-helixtrans-57.6-47.3174.8-63.4166.4000109.9F47 L76 V91 K94 D95 H102 V103F47-I99 HydrophobicContact CB-CD1 4.31Å; F47-I99 HydrophobicContact CD1-CG2 4.26Å; F47-I99 HydrophobicContact CD2-CB 4.14Å; F47-I99 HydrophobicContact CD2-CG2 3.7Å; F47-I99 HydrophobicContact CE1-CG2 4.32Å; F47-I99 HydrophobicContact CE2-CB 4.49Å; F47-I99 HydrophobicContact CE2-CG2 3.78Å; F47-I99 HydrophobicContact CG-CG2 3.96Å; F47-I99 HydrophobicContact CZ-CG2 4.08Å; L76-I99 HydrophobicContact CD1-CG2 3.8Å; V91-I99 HydrophobicContact CB-CD1 3.82Å; V91-I99 HydrophobicContact CB-CG1 3.95Å; V91-I99 HydrophobicContact CG1-CB 4.5Å; V91-I99 HydrophobicContact CG1-CD1 4.19Å; V91-I99 HydrophobicContact CG1-CG1 3.91Å; V91-I99 HydrophobicContact CG1-CG2 3.87Å; K94-I99 HydrophobicContact CB-CD1 4.31Å; K94-I99 HydrophobicContact CB-CG1 3.78Å; D95-I99 WeakPolarHBondContact O-CG1 3.44Å; D95-I99 PolarHBondContact O-N 3Å; I99-H102 PolarHBondContact O-N 3.28Å; I99-V103 HydrophobicContact CG2-CG2 4.41Å; I99-V103 WeakPolarHBondContact O-CB 3.32Å; I99-V103 VanDerWaalsContact O-CG2 3.28Å; I99-V103 WeakPolarHBondContact O-CG2 3.49Å; I99-V103 PolarHBondContact O-N 3.21Å
100S92.5Very high92.1Very high16 Ų1659.2 Ų59.211%0.11230%0.302CS..Hα-helixtrans-63.1-45.8-178.6-58.70000112.9F47 N51 C96 K97 Q98 V103 K104F47-S100 WeakPolarHBondContact CE2-OG 3.45Å; N51-S100 PolarHBondContact ND2-OG 3.32Å; C96-S100 WeakPolarHBondContact O-CB 3.49Å; C96-S100 PolarHBondContact O-N 3.47Å; C96-S100 VanDerWaalsContact O-N 3.08Å; C96-S100 PolarHBondContact O-OG 3.46Å; K97-S100 PolarHBondContact O-N 3.13Å; Q98-S100 VanDerWaalsContact C-N 3.3Å; Q98-S100 PolarHBondContact O-N 3.21Å; S100-V103 PolarHBondContact O-N 3.42Å; S100-K104 WeakPolarHBondContact O-CB 3.45Å; S100-K104 PolarHBondContact O-N 3.44Å
101Q92.8Very high92Very high139 Ų13959.5 Ų59.565%0.6530%0.303SS*.Hα-helixtrans-64.1-41.3177.1-73174.3-12.800111.7K97 Q98 K104 K105K97-Q101 WeakPolarHBondContact O-CG 3.35Å; K97-Q101 PolarHBondContact O-N 2.92Å; Q98-Q101 PolarHBondContact O-N 3.29Å; Q101-K104 PolarHBondContact O-N 2.91Å; Q101-K105 WeakPolarHBondContact O-CB 3.39Å; Q101-K105 PolarHBondContact O-N 2.96Å
102H93.2Very high92Very high70 Ų7067 Ų6732%0.32434%0.338SS..Hα-helixtrans-65.2-44178.8-170.173.1000111.6V89 Q98 I99 K105 I106V89-H102 VanDerWaalsContact CG1-CD2 3.46Å; V89-H102 WeakPolarHBondContact CG1-CD2 3.31Å; Q98-H102 VanDerWaalsContact O-CB 3.24Å; Q98-H102 WeakPolarHBondContact O-CB 3.4Å; Q98-H102 PolarHBondContact O-N 3.34Å; I99-H102 PolarHBondContact O-N 3.28Å; H102-K105 PolarHBondContact O-N 3.44Å; H102-I106 VanDerWaalsContact NE2-CD1 3.35Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.43Å; H102-I106 WeakPolarHBondContact O-CG1 3.38Å; H102-I106 PolarHBondContact O-N 3.34Å; H102-I106 VanDerWaalsContact O-N 3.15Å
103V92.4Very high92Very high1 Ų166.4 Ų66.41%0.00634%0.34CS..Hα-helixtrans-63.3-42.8174.6172.70000111.4I21 F23 L76 F78 I99 S100 K105 I106 L107 G108I21-V103 HydrophobicContact CG2-CG1 4.25Å; F23-V103 HydrophobicContact CE1-CG1 3.6Å; F23-V103 HydrophobicContact CZ-CG1 4.09Å; L76-V103 HydrophobicContact CD1-CG2 3.76Å; F78-V103 HydrophobicContact CE1-CG1 4.46Å; F78-V103 HydrophobicContact CZ-CG1 3.93Å; F78-V103 HydrophobicContact CZ-CG2 4.12Å; I99-V103 HydrophobicContact CG2-CG2 4.41Å; I99-V103 WeakPolarHBondContact O-CB 3.32Å; I99-V103 VanDerWaalsContact O-CG2 3.28Å; I99-V103 WeakPolarHBondContact O-CG2 3.49Å; I99-V103 PolarHBondContact O-N 3.21Å; S100-V103 PolarHBondContact O-N 3.42Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 2.93Å; V103-I106 PolarHBondContact O-N 3.44Å; V103-L107 PolarHBondContact O-N 3.22Å; V103-G108 PolarHBondContact O-N 3.06Å
104K93.2Very high92.1Very high45 Ų4565.6 Ų65.620%0.19632%0.322CS..Hα-helixtrans-58.5-43.5174.7-170.7-178.7-178.8-176.90110.9D20 I21 S100 Q101 I106 G108 D111D20-K104 IonicContact OD1-NZ 2.69Å; D20-K104 PolarHBondContact OD1-NZ 2.99Å; D20-K104 WeakPolarHBondContact OD2-CD 3.46Å; D20-K104 WeakPolarHBondContact OD2-CE 3.41Å; D20-K104 IonicContact OD2-NZ 2.67Å; D20-K104 PolarHBondContact OD2-NZ 3.23Å; I21-K104 HydrophobicContact CG1-CB 4.45Å; S100-K104 WeakPolarHBondContact O-CB 3.45Å; S100-K104 PolarHBondContact O-N 3.44Å; Q101-K104 PolarHBondContact O-N 2.91Å; K104-I106 PolarHBondContact O-N 2.85Å; K104-G108 WeakPolarHBondContact O-CA 3.02Å; K104-G108 PolarHBondContact O-N 3.42Å; K104-D111 IonicContact NZ-OD1 2.77Å; K104-D111 PolarHBondContact NZ-OD1 2.81Å; K104-D111 VanDerWaalsContact NZ-OD1 3.11Å
105K92.9Very high92.1Very high184 Ų18468.4 Ų68.480%0.834%0.336SS*.Hα-helixtrans-63.7-41.1-178.9-172.4176.2-179.2179.10113.1Q101 H102 V103Q101-K105 WeakPolarHBondContact O-CB 3.39Å; Q101-K105 PolarHBondContact O-N 2.96Å; H102-K105 PolarHBondContact O-N 3.44Å; V103-K105 VanDerWaalsContact C-N 3.31Å; V103-K105 PolarHBondContact O-N 2.93Å
106I91.3Very high92Very high60 Ų6067.8 Ų67.831%0.30834%0.34SS..Hα-helixtrans-82.2-52.7-175.1-57.9168.2000111K24 V87 V89 H102 V103 K104K24-I106 PolarHBondContact NZ-O 3.09Å; K24-I106 VanDerWaalsContact NZ-O 3.13Å; V87-I106 HydrophobicContact CG1-CG2 4.23Å; V89-I106 HydrophobicContact CG2-CD1 4.09Å; H102-I106 VanDerWaalsContact NE2-CD1 3.35Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.43Å; H102-I106 WeakPolarHBondContact O-CG1 3.38Å; H102-I106 PolarHBondContact O-N 3.34Å; H102-I106 VanDerWaalsContact O-N 3.15Å; V103-I106 PolarHBondContact O-N 3.44Å; K104-I106 PolarHBondContact O-N 2.85Å
107L91.3Very high92Very high12 Ų1270.3 Ų70.36%0.06335%0.351CS..Hα-helixtrans-117.2-5.3-166.5-64.8176.9000114.1F23 K24 V27 F78 L80 V87 V103F23-L107 WeakPolarHBondContact CA-O 3.42Å; F23-L107 HydrophobicContact CD1-CB 3.97Å; F23-L107 HydrophobicContact CE1-CB 4.26Å; K24-L107 WeakPolarHBondContact CG-O 3.32Å; K24-L107 PolarHBondContact N-O 3.13Å; V27-L107 HydrophobicContact CG2-CB 4.16Å; V27-L107 HydrophobicContact CG2-CD1 4.25Å; V27-L107 HydrophobicContact CG2-CD2 4.1Å; V27-L107 HydrophobicContact CG2-CG 4.4Å; F78-L107 HydrophobicContact CB-CD1 3.64Å; F78-L107 HydrophobicContact CD1-CD1 3.5Å; F78-L107 VanDerWaalsContact CD1-CD1 3.5Å; F78-L107 HydrophobicContact CD2-CD1 3.46Å; F78-L107 VanDerWaalsContact CD2-CD1 3.46Å; F78-L107 HydrophobicContact CE1-CD1 3.93Å; F78-L107 HydrophobicContact CE2-CD1 3.91Å; F78-L107 HydrophobicContact CG-CD1 3.23Å; F78-L107 HydrophobicContact CZ-CD1 4.12Å; L80-L107 HydrophobicContact CD2-CD2 4.21Å; V87-L107 HydrophobicContact CG2-CD2 4.46Å; V103-L107 PolarHBondContact O-N 3.22Å
108G92.2Very high91.9Very high6 Ų665.1 Ų65.16%0.06234%0.337CS..BIsolated β-bridgetrans-73.9152.5174.600000112.4I22 K24 V103 K104I22-G108 WeakPolarHBondContact O-CA 3.5Å; K24-G108 WeakPolarHBondContact CE-O 3.09Å; V103-G108 PolarHBondContact O-N 3.06Å; K104-G108 WeakPolarHBondContact O-CA 3.02Å; K104-G108 PolarHBondContact O-N 3.42Å
109K93.3Very high91.7Very high32 Ų3266 Ų6614%0.13934%0.341CS..PPolyproline II helixtrans-67.8148.1164.7-65.7-175.3-176.5-174.60109.8I22 F23 V113 L114 E117I22-K109 HydrophobicContact CG2-CD 4.03Å; I22-K109 PolarHBondContact O-N 3.11Å; F23-K109 WeakPolarHBondContact O-CE 3.24Å; K109-V113 HydrophobicContact CD-CG1 4.22Å; K109-L114 HydrophobicContact CB-CD2 4.09Å; K109-L114 HydrophobicContact CB-CG 4.15Å; K109-L114 HydrophobicContact CD-CD2 3.88Å; K109-E117 IonicContact NZ-OE1 2.86Å; K109-E117 PolarHBondContact NZ-OE1 3.36Å; K109-E117 IonicContact NZ-OE2 3.11Å; K109-E117 PolarHBondContact NZ-OE2 3.12Å
110S92.1Very high91.6Very high59 Ų5968.5 Ų68.541%0.41336%0.362SS..PPolyproline II helixtrans-71.5153.9170.158.40000110.5E112 V113 L114S110-E112 PolarHBondContact O-N 3.37Å; S110-V113 PolarHBondContact O-N 3.42Å; S110-V113 VanDerWaalsContact O-N 3.13Å; S110-V113 WeakPolarHBondContact OG-CG2 3.23Å; S110-L114 PolarHBondContact O-N 2.86Å; S110-L114 VanDerWaalsContact O-N 3.14Å
111D90.3Very high91.2Very high87 Ų8775.4 Ų75.447%0.46539%0.39SS..Hα-helixtrans-61.9-32.9179.6-59.7-31000110.9K104 V113 L114 H115K104-D111 IonicContact NZ-OD1 2.77Å; K104-D111 PolarHBondContact NZ-OD1 2.81Å; K104-D111 VanDerWaalsContact NZ-OD1 3.11Å; D111-V113 PolarHBondContact O-N 3.45Å; D111-L114 WeakPolarHBondContact O-CB 3.33Å; D111-L114 PolarHBondContact O-N 3.18Å; D111-H115 PolarHBondContact O-CD2 2.77Å; D111-H115 PolarHBondContact O-N 2.91Å
112E92Very high90.7Very high159 Ų15975.3 Ų75.374%0.74339%0.391SS*.Hα-helixtrans-57.5-47.2172.9-64.4173.4-176.800112.7S110 L114 H115 A116S110-E112 PolarHBondContact O-N 3.37Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 2.85Å; E112-H115 PolarHBondContact O-N 3.46Å; E112-A116 WeakPolarHBondContact O-CB 3.36Å; E112-A116 PolarHBondContact O-N 3.24Å
113V91.8Very high89.7Confident63 Ų6379.3 Ų79.338%0.38241%0.41SS..Hα-helixtrans-65.9-38.1178.41730000110.4K109 S110 D111 A116 E117K109-V113 HydrophobicContact CD-CG1 4.22Å; S110-V113 PolarHBondContact O-N 3.42Å; S110-V113 VanDerWaalsContact O-N 3.13Å; S110-V113 WeakPolarHBondContact OG-CG2 3.23Å; D111-V113 PolarHBondContact O-N 3.45Å; V113-A116 PolarHBondContact O-N 3.41Å; V113-E117 HydrophobicContact CG1-CG 4.45Å; V113-E117 WeakPolarHBondContact O-CB 3.28Å; V113-E117 VanDerWaalsContact O-CG 3.31Å; V113-E117 WeakPolarHBondContact O-CG 3.5Å; V113-E117 PolarHBondContact O-N 3.16Å
114L90.8Very high88.8Confident38 Ų3883.2 Ų83.220%0.19944%0.443CS..Hα-helixtrans-65.5-41.6176.4-66176000111.9I22 K109 S110 D111 E112 E117 A118I22-L114 HydrophobicContact CB-CD2 4.3Å; I22-L114 HydrophobicContact CD1-CD1 4.19Å; I22-L114 HydrophobicContact CD1-CD2 3.62Å; I22-L114 HydrophobicContact CG2-CD2 4.3Å; K109-L114 HydrophobicContact CB-CD2 4.09Å; K109-L114 HydrophobicContact CB-CG 4.15Å; K109-L114 HydrophobicContact CD-CD2 3.88Å; S110-L114 PolarHBondContact O-N 2.86Å; S110-L114 VanDerWaalsContact O-N 3.14Å; D111-L114 WeakPolarHBondContact O-CB 3.33Å; D111-L114 PolarHBondContact O-N 3.18Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 2.85Å; L114-E117 PolarHBondContact O-N 3.22Å; L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.11Å
115H91.1Very high88.1Confident125 Ų12584.6 Ų84.658%0.57946%0.458SS*.Hα-helixtrans-64.3-43.8175-77.5-59.3000111.9D111 E112 A118 Q119D111-H115 PolarHBondContact O-CD2 2.77Å; D111-H115 PolarHBondContact O-N 2.91Å; E112-H115 PolarHBondContact O-N 3.46Å; H115-A118 PolarHBondContact O-N 2.93Å; H115-Q119 WeakPolarHBondContact O-CG 3.47Å; H115-Q119 PolarHBondContact O-N 3.44Å
116A91.9Very high87.7Confident55 Ų5581 Ų8146%0.45544%0.444SS..Hα-helixtrans-61.9-43.7175.900000111.9E112 V113 A118 Q119 A120E112-A116 WeakPolarHBondContact O-CB 3.36Å; E112-A116 PolarHBondContact O-N 3.24Å; V113-A116 PolarHBondContact O-N 3.41Å; A116-A118 VanDerWaalsContact C-N 3.31Å; A116-A118 PolarHBondContact O-N 3.06Å; A116-Q119 PolarHBondContact O-N 3.26Å; A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.14Å
117E89.8Confident87.5Confident64 Ų6481.7 Ų81.730%0.29945%0.452SS..Hα-helixtrans-62.8-36.9175.3-75.6-18017600112.2K109 V113 L114 K121K109-E117 IonicContact NZ-OE1 2.86Å; K109-E117 PolarHBondContact NZ-OE1 3.36Å; K109-E117 IonicContact NZ-OE2 3.11Å; K109-E117 PolarHBondContact NZ-OE2 3.12Å; V113-E117 HydrophobicContact CG1-CG 4.45Å; V113-E117 WeakPolarHBondContact O-CB 3.28Å; V113-E117 VanDerWaalsContact O-CG 3.31Å; V113-E117 WeakPolarHBondContact O-CG 3.5Å; V113-E117 PolarHBondContact O-N 3.16Å; L114-E117 PolarHBondContact O-N 3.22Å; E117-K121 WeakPolarHBondContact O-CG 3.42Å; E117-K121 PolarHBondContact O-N 3.3Å
118A88.8Confident87.4Confident46 Ų4683.6 Ų83.638%0.3847%0.47SS..Hα-helixtrans-68.4-44.3175.800000111.9L114 H115 A116 K121 M122L114-A118 WeakPolarHBondContact O-CB 3.43Å; L114-A118 PolarHBondContact O-N 3.11Å; H115-A118 PolarHBondContact O-N 2.93Å; A116-A118 VanDerWaalsContact C-N 3.31Å; A116-A118 PolarHBondContact O-N 3.06Å; A118-K121 PolarHBondContact O-N 3.1Å; A118-M122 WeakPolarHBondContact O-CG 3.47Å; A118-M122 PolarHBondContact O-N 3.39Å; A118-M122 VanDerWaalsContact O-N 3.09Å
119Q89.6Confident87.3Confident122 Ų12287.2 Ų87.257%0.5749%0.488SS*.Hα-helixtrans-62.9-43.4176.6-73.2176.7-2.300111.8H115 A116 K121 M122 Q123H115-Q119 WeakPolarHBondContact O-CG 3.47Å; H115-Q119 PolarHBondContact O-N 3.44Å; A116-Q119 PolarHBondContact O-N 3.26Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.27Å; Q119-M122 WeakPolarHBondContact O-CB 3.48Å; Q119-M122 PolarHBondContact O-N 2.84Å; Q119-M122 VanDerWaalsContact O-N 3.08Å; Q119-Q123 WeakPolarHBondContact O-CG 3.33Å; Q119-Q123 PolarHBondContact O-N 3.08Å
120A89.3Confident87.3Confident56 Ų5689.9 Ų89.946%0.46350%0.5SS..Hα-helixtrans-60.4-37.5176.400000112.2A116 Q123 A124A116-A120 WeakPolarHBondContact O-CB 3.35Å; A116-A120 PolarHBondContact O-N 3.14Å; A120-Q123 PolarHBondContact O-N 3.43Å; A120-A124 PolarHBondContact O-N 3.47Å
121K85.3Confident87.3Confident161 Ų16187.8 Ų87.870%0.749%0.487SS*.Hα-helixtrans-67.3-36.2173.8-74.4176.1-178178.50112.8E117 A118 Q119 A124E117-K121 WeakPolarHBondContact O-CG 3.42Å; E117-K121 PolarHBondContact O-N 3.3Å; A118-K121 PolarHBondContact O-N 3.1Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.27Å; K121-A124 WeakPolarHBondContact O-CB 3.34Å; K121-A124 PolarHBondContact O-N 3.09Å
122M81.5Confident87.5Confident137 Ų13787.6 Ų87.668%0.67549%0.49SS*.Hα-helixtrans-67.7-36.9175.3-69.5-179.9179.500112.1A118 Q119 A124 S125A118-M122 WeakPolarHBondContact O-CG 3.47Å; A118-M122 PolarHBondContact O-N 3.39Å; A118-M122 VanDerWaalsContact O-N 3.09Å; Q119-M122 WeakPolarHBondContact O-CB 3.48Å; Q119-M122 PolarHBondContact O-N 2.84Å; Q119-M122 VanDerWaalsContact O-N 3.08Å; M122-A124 PolarHBondContact O-N 2.89Å; M122-S125 PolarHBondContact O-N 2.69Å; M122-S125 VanDerWaalsContact O-N 3.1Å; M122-S125 PolarHBondContact O-OG 2.97Å
123Q73Confident87.3Confident153 Ų15387 Ų8772%0.71549%0.485SS*.Hα-helixtrans-61.3-28.9176.2-72.5176.2-4.100112.8Q119 A120 S125Q119-Q123 WeakPolarHBondContact O-CG 3.33Å; Q119-Q123 PolarHBondContact O-N 3.08Å; A120-Q123 PolarHBondContact O-N 3.43Å; Q123-S125 PolarHBondContact O-N 3.28Å
124A73Confident87.3Confident84 Ų8491.8 Ų91.869%0.69450%0.501SS*.THydrogen-bonded Turntrans-63-27.4176.200000113A120 K121 M122 H126A120-A124 PolarHBondContact O-N 3.47Å; K121-A124 WeakPolarHBondContact O-CB 3.34Å; K121-A124 PolarHBondContact O-N 3.09Å; M122-A124 PolarHBondContact O-N 2.89Å; A124-H126 PolarHBondContact O-N 2.89Å
125S79.2Confident87.1Confident74 Ų7497.5 Ų97.552%0.51752%0.521SS..SBendtrans-94.885.1172.251.10000110.2M122 Q123 P127M122-S125 PolarHBondContact O-N 2.69Å; M122-S125 VanDerWaalsContact O-N 3.1Å; M122-S125 PolarHBondContact O-OG 2.97Å; Q123-S125 PolarHBondContact O-N 3.28Å; S125-P127 WeakPolarHBondContact O-CD 3.34Å
126H85.3Confident87Confident107 Ų10792.7 Ų92.750%0.49550%0.501SS..  trans-76.6121.9-178.4-167.963000111.7A124 A128 N129A124-H126 PolarHBondContact O-N 2.89Å; H126-A128 VanDerWaalsContact CD2-CB 3.5Å; H126-A128 WeakPolarHBondContact CD2-CB 3.5Å; H126-A128 VanDerWaalsContact NE2-CB 3.34Å; H126-A128 WeakPolarHBondContact NE2-CB 3.38Å; H126-A128 PolarHBondContact O-N 3.07Å; H126-A128 VanDerWaalsContact O-N 3.16Å; H126-N129 WeakPolarHBondContact O-CB 3.39Å; H126-N129 PolarHBondContact O-N 3.16Å; H126-N129 VanDerWaalsContact O-N 3.07Å
127P87Confident86.9Confident76 Ų7696.3 Ų96.349%0.49451%0.512SS..THydrogen-bonded Turntrans-64.4-19.9-175.6-24.534.8000115.5S125 N129 L137 R138S125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-N129 VanDerWaalsContact C-N 3.3Å; P127-L137 HydrophobicContact CB-CD1 4.11Å; P127-R138 PolarHBondContact O-NH2 2.91Å
128A88.4Confident86.9Confident52 Ų5296.9 Ų96.943%0.4351%0.512SS..THydrogen-bonded Turntrans-81.4-9.9177.200000113.2H126 F130H126-A128 VanDerWaalsContact CD2-CB 3.5Å; H126-A128 WeakPolarHBondContact CD2-CB 3.5Å; H126-A128 VanDerWaalsContact NE2-CB 3.34Å; H126-A128 WeakPolarHBondContact NE2-CB 3.38Å; H126-A128 PolarHBondContact O-N 3.07Å; H126-A128 VanDerWaalsContact O-N 3.16Å; A128-F130 WeakPolarHBondContact O-CD2 3.42Å; A128-F130 WeakPolarHBondContact O-CE2 3.38Å
129N90.7Very high87.1Confident81 Ų8199 Ų9943%0.43351%0.514SS..  trans-71140.4177.7-67-6.3000110.6H126 P127H126-N129 WeakPolarHBondContact O-CB 3.39Å; H126-N129 PolarHBondContact O-N 3.16Å; H126-N129 VanDerWaalsContact O-N 3.07Å; P127-N129 VanDerWaalsContact C-N 3.3Å
130F93.1Very high87.2Confident89 Ų8996.2 Ų96.239%0.3951%0.507SS..BIsolated β-bridgetrans-106.9136.5171.4-64.4-91.3000109.4A128 R138 I141 V144A128-F130 WeakPolarHBondContact O-CD2 3.42Å; A128-F130 WeakPolarHBondContact O-CE2 3.38Å; F130-R138 CarbonylContact C-O 3.59Å; F130-R138 VanDerWaalsContact CA-O 3.26Å; F130-R138 WeakPolarHBondContact CA-O 3.26Å; F130-R138 HydrophobicContact CD1-CB 3.64Å; F130-R138 HydrophobicContact CE1-CB 3.78Å; F130-R138 HydrophobicContact CE1-CG 4.48Å; F130-I141 HydrophobicContact CE1-CB 4.09Å; F130-I141 HydrophobicContact CE1-CG1 4.13Å; F130-I141 HydrophobicContact CZ-CB 4.28Å; F130-I141 HydrophobicContact CZ-CD1 4.35Å; F130-I141 HydrophobicContact CZ-CG1 3.91Å; F130-V144 HydrophobicContact CE1-CG2 4.25Å; F130-V144 HydrophobicContact CZ-CG2 4.38Å
131G92.5Very high87.5Confident15 Ų1597.5 Ų97.516%0.15551%0.506CS..SBendtrans167.4-173.7-177.800000112.4R138 E139G131-R138 PolarHBondContact N-O 2.89Å; G131-R138 CarbonylContact O-C 3.59Å; G131-R138 VanDerWaalsContact O-O 3.07Å; G131-E139 VanDerWaalsContact O-CA 3.27Å; G131-E139 WeakPolarHBondContact O-CA 3.17Å; G131-E139 WeakPolarHBondContact O-CG 3.27Å
132P93Very high87.8Confident82 Ų8291.6 Ų91.653%0.53248%0.484SS..  trans-53.4141-175.4-25.533.8000112.8K134 Y135 C136P132-K134 PolarHBondContact O-N 3.01Å; P132-Y135 PolarHBondContact O-N 2.86Å; P132-C136 PolarHBondContact O-N 3.07Å; P132-C136 VanDerWaalsContact O-N 3.07Å
133K88.8Confident88.2Confident146 Ų14689.9 Ų89.964%0.63547%0.474SS*.THydrogen-bonded Turntrans-50.9-20.1-179.3-84167.6-168.8-176.80115.9Y135 E139K133-Y135 VanDerWaalsContact C-N 3.32Å; K133-E139 WeakPolarHBondContact CE-OE2 3.41Å; K133-E139 HydrophobicContact CG-CG 3.99Å; K133-E139 WeakPolarHBondContact CG-OE1 3.37Å; K133-E139 PolarHBondContact N-OE1 2.92Å
134K90.5Very high89.1Confident165 Ų16584.6 Ų84.672%0.71745%0.453SS*.THydrogen-bonded Turntrans-66.5-32.7175.9-176.4175.5173.8-165.30113P132P132-K134 PolarHBondContact O-N 3.01Å
135Y86.9Confident90Very high157 Ų15785.4 Ų85.462%0.61646%0.459SS*.THydrogen-bonded Turntrans-122.3-29.3-170.1-51.6-69.3000113.1P132 K133P132-Y135 PolarHBondContact O-N 2.86Å; K133-Y135 VanDerWaalsContact C-N 3.32Å
136C89.3Confident90.7Very high24 Ų2485.9 Ų85.916%0.16248%0.476CS..  trans-118.9153.5-178.3-61.90000109.9P132 R138P132-C136 PolarHBondContact O-N 3.07Å; P132-C136 VanDerWaalsContact O-N 3.07Å; C136-R138 VanDerWaalsContact C-N 3.33Å
137L89.1Confident91.1Very high131 Ų13185.7 Ų85.769%0.68648%0.475SS*.SBendtrans-72.7-30.2178.8-63.9174.5000112.4P127P127-L137 HydrophobicContact CB-CD1 4.11Å
138R90.4Very high91.4Very high77 Ų7786.3 Ų86.329%0.29148%0.477SS..BIsolated β-bridgetrans-128.9136.5-173.8-67.9170.6-73.5-173.1-5109.4P127 F130 G131 C136 E143P127-R138 PolarHBondContact O-NH2 2.91Å; F130-R138 CarbonylContact C-O 3.59Å; F130-R138 VanDerWaalsContact CA-O 3.26Å; F130-R138 WeakPolarHBondContact CA-O 3.26Å; F130-R138 HydrophobicContact CD1-CB 3.64Å; F130-R138 HydrophobicContact CE1-CB 3.78Å; F130-R138 HydrophobicContact CE1-CG 4.48Å; G131-R138 PolarHBondContact N-O 2.89Å; G131-R138 CarbonylContact O-C 3.59Å; G131-R138 VanDerWaalsContact O-O 3.07Å; C136-R138 VanDerWaalsContact C-N 3.33Å; R138-E143 WeakPolarHBondContact CA-OE2 3.22Å
139E92.8Very high91.6Very high90 Ų9086.4 Ų86.442%0.42147%0.473SS..SBendtrans-89.2-43.4178.8-78.4175.6165.900112G131 K133G131-E139 VanDerWaalsContact O-CA 3.27Å; G131-E139 WeakPolarHBondContact O-CA 3.17Å; G131-E139 WeakPolarHBondContact O-CG 3.27Å; K133-E139 WeakPolarHBondContact CE-OE2 3.41Å; K133-E139 HydrophobicContact CG-CG 3.99Å; K133-E139 WeakPolarHBondContact CG-OE1 3.37Å; K133-E139 PolarHBondContact N-OE1 2.92Å
140C92.6Very high91.8Very high64 Ų6485 Ų8543%0.43247%0.47SS..SBendtrans-134.8149.6-179.5-174.50000109.6C142 E143C140-C142 PolarHBondContact O-N 3.18Å; C140-C142 VanDerWaalsContact O-N 3.15Å; C140-C142 VanDerWaalsContact SG-SG 3.62Å; C140-E143 PolarHBondContact O-N 3.43Å
141I95.1Very high91.8Very high83 Ų8384.7 Ų84.743%0.42648%0.477SS..G310 helixtrans-66.2-15.8179.7-158.6170000112.9F130 E143 V144 Q147F130-I141 HydrophobicContact CE1-CB 4.09Å; F130-I141 HydrophobicContact CE1-CG1 4.13Å; F130-I141 HydrophobicContact CZ-CB 4.28Å; F130-I141 HydrophobicContact CZ-CD1 4.35Å; F130-I141 HydrophobicContact CZ-CG1 3.91Å; I141-E143 PolarHBondContact O-N 3.04Å; I141-E143 VanDerWaalsContact O-N 3.09Å; I141-V144 HydrophobicContact CG1-CB 4.46Å; I141-V144 HydrophobicContact CG1-CG2 4.2Å; I141-V144 WeakPolarHBondContact O-CB 3.33Å; I141-V144 PolarHBondContact O-N 3.05Å; I141-Q147 HydrophobicContact CG1-CG 4.13Å
142C91.8Very high91.8Very high37 Ų3787.7 Ų87.725%0.2551%0.507CS..G310 helixtrans-61.9-15.4175.868.60000113.9C140 V144 V148 C150C140-C142 PolarHBondContact O-N 3.18Å; C140-C142 VanDerWaalsContact O-N 3.15Å; C140-C142 VanDerWaalsContact SG-SG 3.62Å; C142-V144 VanDerWaalsContact C-N 3.27Å; C142-V148 WeakPolarHBondContact CB-O 3.3Å; C142-C150 HydrophobicContact CB-CB 4.17Å
143E89.4Confident91.7Very high101 Ų10189.2 Ų89.247%0.47252%0.515SS..G310 helixtrans-76.5-14.9173.1-63.2177.8165.500112.5R138 C140 I141R138-E143 WeakPolarHBondContact CA-OE2 3.22Å; C140-E143 PolarHBondContact O-N 3.43Å; I141-E143 PolarHBondContact O-N 3.04Å; I141-E143 VanDerWaalsContact O-N 3.09Å
144V92.2Very high91.7Very high42 Ų4288.7 Ų88.726%0.25551%0.513SS..SBendtrans-85.5123.6-179.2-177.50000109.7F130 I141 C142 Q147F130-V144 HydrophobicContact CE1-CG2 4.25Å; F130-V144 HydrophobicContact CZ-CG2 4.38Å; I141-V144 HydrophobicContact CG1-CB 4.46Å; I141-V144 HydrophobicContact CG1-CG2 4.2Å; I141-V144 WeakPolarHBondContact O-CB 3.33Å; I141-V144 PolarHBondContact O-N 3.05Å; C142-V144 VanDerWaalsContact C-N 3.27Å; V144-Q147 HydrophobicContact CB-CG 3.96Å; V144-Q147 HydrophobicContact CG1-CG 4.18Å; V144-Q147 VanDerWaalsContact O-CB 3.3Å; V144-Q147 WeakPolarHBondContact O-CB 3.35Å; V144-Q147 PolarHBondContact O-N 3.46Å; V144-Q147 VanDerWaalsContact O-N 3.15Å
145A92.4Very high91.8Very high100 Ų10086.5 Ų86.583%0.82652%0.515SS*.THydrogen-bonded Turntrans-57.9140.2177.200000111.6Q147A145-Q147 VanDerWaalsContact C-N 3.3Å
146G92.8Very high92.1Very high85 Ų8581.7 Ų81.788%0.87650%0.5SS*.THydrogen-bonded Turntrans87.7-11.4-174.600000114.5
147Q94.1Very high92.3Very high102 Ų10283.9 Ų83.948%0.47751%0.514SS..SBendtrans-89.8166.7174.6-59.7-66-19.100112I141 V144 A145I141-Q147 HydrophobicContact CG1-CG 4.13Å; V144-Q147 HydrophobicContact CB-CG 3.96Å; V144-Q147 HydrophobicContact CG1-CG 4.18Å; V144-Q147 VanDerWaalsContact O-CB 3.3Å; V144-Q147 WeakPolarHBondContact O-CB 3.35Å; V144-Q147 PolarHBondContact O-N 3.46Å; V144-Q147 VanDerWaalsContact O-N 3.15Å; A145-Q147 VanDerWaalsContact C-N 3.3Å
148V93.4Very high92.4Very high89 Ų8984.9 Ų84.954%0.53951%0.513SS..PPolyproline II helixtrans-66.6126.4177.3-178.20000109.6C142 L156C142-V148 WeakPolarHBondContact CB-O 3.3Å; V148-L156 HydrophobicContact CG1-CD1 4.49Å; V148-L156 HydrophobicContact CG1-CD2 3.58Å
149P93.9Very high92.5Very high54 Ų5486.6 Ų86.635%0.35152%0.524SS..PPolyproline II helixtrans-69156.2179.429.5-35.3000111.3K154P149-K154 HydrophobicContact CB-CB 4.24Å; P149-K154 HydrophobicContact CB-CD 4.49Å; P149-K154 HydrophobicContact CG-CB 4.09Å; P149-K154 HydrophobicContact CG-CD 4.44Å
150C94.2Very high92.3Very high52 Ų5287.7 Ų87.735%0.35153%0.531SS..PPolyproline II helixtrans-64.4133.9175.1-1740000110.2C142 G152 T153 K154C142-C150 HydrophobicContact CB-CB 4.17Å; C150-G152 PolarHBondContact O-N 3.39Å; C150-G152 VanDerWaalsContact O-N 3.09Å; C150-T153 PolarHBondContact O-N 3.39Å; C150-K154 PolarHBondContact O-N 3.37Å
151P92.9Very high92.2Very high83 Ų8387.8 Ų87.854%0.53953%0.529SS..THydrogen-bonded Turntrans-54.6-29.3176.6-26.433.1000114T153 K154 L156P151-T153 VanDerWaalsContact C-N 3.27Å; P151-T153 PolarHBondContact O-N 2.97Å; P151-K154 WeakPolarHBondContact CA-O 3.42Å; P151-K154 CarbonylContact O-C 3.58Å; P151-L156 HydrophobicContact CB-CG 4.49Å; P151-L156 HydrophobicContact CG-CD1 3.83Å; P151-L156 HydrophobicContact CG-CG 4.05Å
152G91.4Very high92.1Very high77 Ų7786.4 Ų86.479%0.79454%0.535SS*.THydrogen-bonded Turntrans-68.7-23176.600000113.9C150C150-G152 PolarHBondContact O-N 3.39Å; C150-G152 VanDerWaalsContact O-N 3.09Å
153T90.9Very high92.2Very high114 Ų11492.1 Ų92.170%0.69956%0.556SS**THydrogen-bonded Turntrans-98.4-43.5178.1-36.40000111.6C150 P151C150-T153 PolarHBondContact O-N 3.39Å; P151-T153 VanDerWaalsContact C-N 3.27Å; P151-T153 PolarHBondContact O-N 2.97Å
154K90.3Very high92.3Very high135 Ų13591.9 Ų91.959%0.58755%0.552SS**SBendtrans-136.7122.8176.7-69.3-173.5179-1790109.3P149 C150 P151 L156P149-K154 HydrophobicContact CB-CB 4.24Å; P149-K154 HydrophobicContact CB-CD 4.49Å; P149-K154 HydrophobicContact CG-CB 4.09Å; P149-K154 HydrophobicContact CG-CD 4.44Å; C150-K154 PolarHBondContact O-N 3.37Å; P151-K154 WeakPolarHBondContact CA-O 3.42Å; P151-K154 CarbonylContact O-C 3.58Å; K154-L156 PolarHBondContact O-N 3.09Å
155P92.4Very high92.3Very high119 Ų11997 Ų9777%0.77357%0.566SS**PPolyproline II helixtrans-62.7136.8178.625.8-33000110.5
156L92.6Very high92.3Very high56 Ų5694.6 Ų94.629%0.29355%0.547SS..PPolyproline II helixtrans-76.2159177.1-61.6-178.1000111.2V148 P151 K154V148-L156 HydrophobicContact CG1-CD1 4.49Å; V148-L156 HydrophobicContact CG1-CD2 3.58Å; P151-L156 HydrophobicContact CB-CG 4.49Å; P151-L156 HydrophobicContact CG-CD1 3.83Å; P151-L156 HydrophobicContact CG-CG 4.05Å; K154-L156 PolarHBondContact O-N 3.09Å
157P94.3Very high92.2Very high71 Ų7196.6 Ų96.646%0.46153%0.531SS..PPolyproline II helixtrans-54.9149.8174.6-24.534.2000112.8E159 M160 T161P157-E159 WeakPolarHBondContact CB-OE2 3.43Å; P157-E159 PolarHBondContact O-N 3.28Å; P157-M160 PolarHBondContact O-N 2.98Å; P157-T161 PolarHBondContact O-OG1 3.15Å
158K90.7Very high91.9Very high152 Ų15295.8 Ų95.866%0.66153%0.528SS*.G310 helixtrans-61-34.3-175.7-69.3-179.6-178.4174.40111.4M160 T161 Y164K158-M160 PolarHBondContact O-N 2.93Å; K158-T161 WeakPolarHBondContact O-CB 3.47Å; K158-T161 PolarHBondContact O-N 3.44Å; K158-Y164 HydrophobicContact CB-CG 4.45Å; K158-Y164 VanDerWaalsContact O-CB 3.24Å; K158-Y164 WeakPolarHBondContact O-CB 3.38Å; K158-Y164 WeakPolarHBondContact O-CD1 3.36Å
159E91.6Very high91.7Very high112 Ų11294 Ų9452%0.52352%0.523SS..G310 helixtrans-63.2-23.6178.9-5573.6-157.600112.3P157 R165P157-E159 WeakPolarHBondContact CB-OE2 3.43Å; P157-E159 PolarHBondContact O-N 3.28Å; E159-R165 PolarHBondContact O-NE 2.69Å; E159-R165 PolarHBondContact O-NH2 3.43Å
160M89Confident91.4Very high114 Ų11498.3 Ų98.356%0.56254%0.539SS*.G310 helixtrans-92.9-5.1175.5-68.8-166.6158.800113.5P157 K158P157-M160 PolarHBondContact O-N 2.98Å; K158-M160 PolarHBondContact O-N 2.93Å
161T91.2Very high90.7Very high65 Ų65100 Ų10040%0.39955%0.551SS.*  trans-86.8126.8-178.7-55.90000110.8P157 K158 K163 Y164 R165P157-T161 PolarHBondContact O-OG1 3.15Å; K158-T161 WeakPolarHBondContact O-CB 3.47Å; K158-T161 PolarHBondContact O-N 3.44Å; T161-K163 VanDerWaalsContact C-N 3.27Å; T161-K163 HydrophobicContact CG2-CB 4.3Å; T161-K163 PolarHBondContact O-N 3.14Å; T161-Y164 PolarHBondContact O-N 3.41Å; T161-R165 PolarHBondContact O-N 3.15Å
162G93.2Very high89.6Confident54 Ų54103.6 Ų103.656%0.55756%0.561SS**Hα-helixtrans-54.8-38-17800000114.4Y164 R165 A166G162-Y164 VanDerWaalsContact C-N 3.32Å; G162-Y164 PolarHBondContact O-N 2.77Å; G162-R165 PolarHBondContact O-N 3.32Å; G162-A166 WeakPolarHBondContact O-CB 3.24Å; G162-A166 PolarHBondContact O-N 3.19Å
163K92.4Very high87.8Confident157 Ų157109.4 Ų109.468%0.68357%0.574SS**Hα-helixtrans-61.1-37.1177.1-174.8176.3-178.1175.80113.3T161 K167T161-K163 VanDerWaalsContact C-N 3.27Å; T161-K163 HydrophobicContact CG2-CB 4.3Å; T161-K163 PolarHBondContact O-N 3.14Å; K163-K167 WeakPolarHBondContact O-CG 3.46Å; K163-K167 PolarHBondContact O-N 3.06Å
164Y91.8Very high87.6Confident97 Ų97109.2 Ų109.238%0.3857%0.567SS.*Hα-helixtrans-75.8-44.5179.8-177.9-102.3000110.6K158 T161 G162 A166 K167 M168K158-Y164 HydrophobicContact CB-CG 4.45Å; K158-Y164 VanDerWaalsContact O-CB 3.24Å; K158-Y164 WeakPolarHBondContact O-CB 3.38Å; K158-Y164 WeakPolarHBondContact O-CD1 3.36Å; T161-Y164 PolarHBondContact O-N 3.41Å; G162-Y164 VanDerWaalsContact C-N 3.32Å; G162-Y164 PolarHBondContact O-N 2.77Å; Y164-A166 VanDerWaalsContact C-N 3.33Å; Y164-A166 PolarHBondContact O-N 3.27Å; Y164-K167 PolarHBondContact O-N 3.45Å; Y164-M168 HydrophobicContact CD1-CG 4.23Å; Y164-M168 HydrophobicContact CE1-CG 3.89Å; Y164-M168 HydrophobicContact CE1-SD 4.4Å; Y164-M168 HydrophobicContact CE2-SD 4.49Å; Y164-M168 WeakPolarHBondContact O-CG 3.36Å; Y164-M168 PolarHBondContact O-N 3.42Å
165R92Very high87.5Confident148 Ų148107.8 Ų107.856%0.55857%0.566SS**Hα-helixtrans-57.8-43.5175.3-68.3-174.8177.8-171.5-2.8112.7E159 T161 G162 K167 M168 A169E159-R165 PolarHBondContact O-NE 2.69Å; E159-R165 PolarHBondContact O-NH2 3.43Å; T161-R165 PolarHBondContact O-N 3.15Å; G162-R165 PolarHBondContact O-N 3.32Å; R165-K167 PolarHBondContact O-N 3.23Å; R165-M168 PolarHBondContact O-N 3.19Å; R165-A169 PolarHBondContact O-N 2.99Å
166A92.9Very high87.2Confident51 Ų51107.2 Ų107.242%0.42156%0.555SS.*Hα-helixtrans-62.3-40.5178.500000112.7G162 Y164 A169 Q170G162-A166 WeakPolarHBondContact O-CB 3.24Å; G162-A166 PolarHBondContact O-N 3.19Å; Y164-A166 VanDerWaalsContact C-N 3.33Å; Y164-A166 PolarHBondContact O-N 3.27Å; A166-A169 PolarHBondContact O-N 3.22Å; A166-Q170 WeakPolarHBondContact O-CG 3.46Å; A166-Q170 PolarHBondContact O-N 3.45Å
167K92.1Very high86.9Confident127 Ų127110.2 Ų110.255%0.55257%0.57SS**Hα-helixtrans-65.8-39.8175.4-75.1-175.8172.6-161.60112.7K163 Y164 R165 A169 Q170 S171K163-K167 WeakPolarHBondContact O-CG 3.46Å; K163-K167 PolarHBondContact O-N 3.06Å; Y164-K167 PolarHBondContact O-N 3.45Å; R165-K167 PolarHBondContact O-N 3.23Å; K167-A169 VanDerWaalsContact C-N 3.34Å; K167-Q170 PolarHBondContact O-N 3.44Å; K167-S171 PolarHBondContact O-N 3.01Å; K167-S171 PolarHBondContact O-OG 3.09Å
168M87.8Confident86.4Confident84 Ų84112.7 Ų112.741%0.41458%0.577SS.*Hα-helixtrans-66.1-38.3177.4-66.8-68.1-80.900111.4Y164 R165 S171 Q172Y164-M168 HydrophobicContact CD1-CG 4.23Å; Y164-M168 HydrophobicContact CE1-CG 3.89Å; Y164-M168 HydrophobicContact CE1-SD 4.4Å; Y164-M168 HydrophobicContact CE2-SD 4.49Å; Y164-M168 WeakPolarHBondContact O-CG 3.36Å; Y164-M168 PolarHBondContact O-N 3.42Å; R165-M168 PolarHBondContact O-N 3.19Å; M168-S171 WeakPolarHBondContact CA-OG 3.35Å; M168-S171 PolarHBondContact O-N 3.02Å; M168-S171 PolarHBondContact O-OG 3.18Å; M168-S171 VanDerWaalsContact O-OG 3.14Å; M168-Q172 WeakPolarHBondContact O-CG 3.14Å; M168-Q172 PolarHBondContact O-N 2.9Å
169A87.8Confident86.2Confident52 Ų52110.1 Ų110.143%0.4357%0.571SS.*Hα-helixtrans-65.6-45.3174.700000112R165 A166 K167 S171 Q172 D173R165-A169 PolarHBondContact O-N 2.99Å; A166-A169 PolarHBondContact O-N 3.22Å; K167-A169 VanDerWaalsContact C-N 3.34Å; A169-S171 PolarHBondContact O-N 3.02Å; A169-Q172 PolarHBondContact O-N 3.23Å; A169-D173 PolarHBondContact O-N 3.45Å
170Q88.5Confident85.8Confident145 Ų145109.9 Ų109.968%0.67858%0.575SS**Hα-helixtrans-64.9-17.1177-74.3175.8-10.200115A166 K167A166-Q170 WeakPolarHBondContact O-CG 3.46Å; A166-Q170 PolarHBondContact O-N 3.45Å; K167-Q170 PolarHBondContact O-N 3.44Å
171S78.4Confident85.5Confident86 Ų86109.6 Ų109.660%0.60158%0.576SS**THydrogen-bonded Turntrans-97.20.1176.336.10000112.8K167 M168 A169K167-S171 PolarHBondContact O-N 3.01Å; K167-S171 PolarHBondContact O-OG 3.09Å; M168-S171 WeakPolarHBondContact CA-OG 3.35Å; M168-S171 PolarHBondContact O-N 3.02Å; M168-S171 PolarHBondContact O-OG 3.18Å; M168-S171 VanDerWaalsContact O-OG 3.14Å; A169-S171 PolarHBondContact O-N 3.02Å
172Q70.4Confident85.1Confident160 Ų160113.3 Ų113.375%0.74859%0.591SS**THydrogen-bonded Turntrans-104-14.3174-72.4177.7-1000113M168 A169M168-Q172 WeakPolarHBondContact O-CG 3.14Å; M168-Q172 PolarHBondContact O-N 2.9Å; A169-Q172 PolarHBondContact O-N 3.23Å
173D53.3Low84.3Confident199 Ų199118.7 Ų118.7100%1.06459%0.594SS**  trans-870164.7-70.5-31.2000110.8A169A169-D173 PolarHBondContact O-N 3.45Å

Retrieved 173 of 173 residues in 130.3 ms (Link to these results)

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