A0A5K4F7C8_SCHMA Loading...

Gelsolin-like protein 1

AlphaFold DB , UniProt , Accession A0A5K4F7C8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 359 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
1M34.3Very low56.7Low217 Ų21785.5 Ų85.5100%1.06943%0.426SS*.  016.50-134.2-175-61.400113.2
2E47.5Very low55.9Low168 Ų16884.2 Ų84.279%0.78544%0.439SS*.  trans-124.190.8165.9-78-178.6161.300108.1
3E66.1Low55.5Low58 Ų5879.7 Ų79.727%0.27142%0.416SS..SBendtrans-102.3-19.9176.8-149-174.5153.700112.4K93 P260E3-K93 WeakPolarHBondContact O-CB 3.18Å; E3-K93 IonicContact OE1-NZ 2.69Å; E3-K93 PolarHBondContact OE1-NZ 2.7Å; E3-P260 WeakPolarHBondContact OE2-CD 3.48Å
4Y67.6Low54.9Low11 Ų1176.6 Ų76.64%0.04340%0.398CS..  trans-138.6109176.5-60.2-93.3000108.8W6 K93 V124 D125 P260 L339Y4-W6 HydrophobicContact CD1-CZ2 4.34Å; Y4-W6 AromaticContact CD1-NE1 3.74Å; Y4-W6 PolarHBondContact O-N 3.4Å; Y4-K93 HydrophobicContact CD1-CB 4.42Å; Y4-K93 HydrophobicContact CD1-CG 3.8Å; Y4-K93 HydrophobicContact CE1-CB 4.49Å; Y4-K93 HydrophobicContact CE1-CD 4.26Å; Y4-K93 HydrophobicContact CE1-CG 3.43Å; Y4-K93 VanDerWaalsContact CE1-CG 3.43Å; Y4-K93 VanDerWaalsContact OH-CE 3.28Å; Y4-K93 WeakPolarHBondContact OH-CE 3.45Å; Y4-V124 HydrophobicContact CD1-CG1 3.93Å; Y4-V124 HydrophobicContact CE1-CG1 3.43Å; Y4-V124 VanDerWaalsContact CE1-CG1 3.43Å; Y4-D125 WeakPolarHBondContact CE1-O 3.49Å; Y4-D125 PolarHBondContact OH-O 2.89Å; Y4-P260 HydrophobicContact CE2-CG 4.2Å; Y4-L339 HydrophobicContact CD1-CD1 4.17Å; Y4-L339 HydrophobicContact CD2-CD1 3.37Å; Y4-L339 HydrophobicContact CE1-CD1 4.33Å; Y4-L339 HydrophobicContact CE2-CD1 3.59Å; Y4-L339 HydrophobicContact CG-CD1 3.69Å
5N64.2Low54.2Low99 Ų9972.7 Ų72.753%0.52938%0.383SS..THydrogen-bonded Turntrans-72-16.6-175-71.1-12000113.3K93N5-K93 PolarHBondContact N-O 2.82Å
6W69.8Low53.7Low7 Ų771.1 Ų71.13%0.02738%0.38CS..THydrogen-bonded Turntrans-97.5-12.7-17060.3-99.5000114.4Y4 D8 T9 I91 Y100 V124 L339Y4-W6 HydrophobicContact CD1-CZ2 4.34Å; Y4-W6 AromaticContact CD1-NE1 3.74Å; Y4-W6 PolarHBondContact O-N 3.4Å; W6-D8 PolarHBondContact O-N 3.22Å; W6-T9 WeakPolarHBondContact O-CB 3.42Å; W6-T9 PolarHBondContact O-N 3.12Å; W6-T9 PolarHBondContact O-OG1 3.43Å; W6-I91 HydrophobicContact CD2-CD1 4.48Å; W6-I91 HydrophobicContact CD2-CG2 4.06Å; W6-I91 HydrophobicContact CE3-CD1 4.44Å; W6-I91 HydrophobicContact CG-CG2 3.96Å; W6-I91 HydrophobicContact CH2-CD1 4.28Å; W6-I91 HydrophobicContact CZ2-CD1 4.3Å; W6-I91 HydrophobicContact CZ2-CG2 4.4Å; W6-I91 HydrophobicContact CZ3-CD1 4.35Å; W6-Y100 HydrophobicContact CB-CD1 3.74Å; W6-Y100 HydrophobicContact CB-CE1 3.13Å; W6-Y100 HydrophobicContact CB-CE2 4.29Å; W6-Y100 HydrophobicContact CG-CD1 4.38Å; W6-Y100 HydrophobicContact CG-CE1 4.19Å; W6-V124 HydrophobicContact CH2-CG1 4.48Å; W6-V124 HydrophobicContact CH2-CG2 3.6Å; W6-V124 HydrophobicContact CZ2-CB 4.19Å; W6-V124 HydrophobicContact CZ2-CG1 3.66Å; W6-V124 HydrophobicContact CZ2-CG2 3.49Å; W6-V124 VanDerWaalsContact CZ2-CG2 3.49Å; W6-L339 HydrophobicContact CH2-CD2 3.51Å; W6-L339 HydrophobicContact CZ2-CD2 3.84Å; W6-L339 HydrophobicContact CZ3-CD2 4.11Å
7K62.7Low53.5Low89 Ų8972.5 Ų72.539%0.38739%0.387SS..THydrogen-bonded Turntrans-51.9-28.3-169.765.5-178.8-179.9172.90115K333 L339K7-K333 WeakPolarHBondContact O-CE 3.31Å; K7-L339 HydrophobicContact CB-CD2 4.23Å
8D53.9Low53.2Low119 Ų11977.3 Ų77.364%0.63641%0.407SS*.THydrogen-bonded Turntrans-91.2-5.2-175.9-61.9-46.1000113.4W6 K333W6-D8 PolarHBondContact O-N 3.22Å; D8-K333 PolarHBondContact O-NZ 2.91Å
9T50.9Low53.7Low31 Ų3178.2 Ų78.219%0.1941%0.409CS..SBendtrans-86.5135.6-174.2-55.10000112.3W6 M11 Q97 Y100W6-T9 WeakPolarHBondContact O-CB 3.42Å; W6-T9 PolarHBondContact O-N 3.12Å; W6-T9 PolarHBondContact O-OG1 3.43Å; T9-M11 PolarHBondContact O-N 3.13Å; T9-Q97 HydrophobicContact CG2-CG 4.22Å; T9-Y100 WeakPolarHBondContact CB-OH 3.29Å; T9-Y100 HydrophobicContact CG2-CE2 4.26Å; T9-Y100 VanDerWaalsContact CG2-OH 3.23Å; T9-Y100 WeakPolarHBondContact CG2-OH 3.32Å; T9-Y100 PolarHBondContact OG1-OH 2.83Å
10N51.1Low54.3Low134 Ų13480.5 Ų80.572%0.71741%0.412SS*.  trans-75.5110.9174.6-82.3-9.2000110.6A12N10-A12 PolarHBondContact O-N 2.76Å
11M56.2Low54.5Low7 Ų782.9 Ų82.93%0.03442%0.419CS..  trans-89.382.2165.7-67.5-159.3-61.300109.4T9 F89 I91 Y100 A104 R122 H329T9-M11 PolarHBondContact O-N 3.13Å; M11-F89 HydrophobicContact CE-CE2 3.89Å; M11-F89 HydrophobicContact CE-CZ 4.14Å; M11-F89 HydrophobicContact SD-CE2 4.13Å; M11-I91 HydrophobicContact CE-CD1 4.17Å; M11-I91 HydrophobicContact SD-CD1 4.41Å; M11-Y100 HydrophobicContact CG-CD2 4.35Å; M11-Y100 HydrophobicContact CG-CE2 4.25Å; M11-Y100 HydrophobicContact SD-CD2 3.84Å; M11-Y100 HydrophobicContact SD-CE2 4.31Å; M11-A104 HydrophobicContact SD-CB 4.05Å; M11-R122 HydrophobicContact CE-CG 4.46Å; M11-H329 WeakPolarHBondContact CE-NE2 3.49Å
12A46.4Very low56.2Low70 Ų7076.9 Ų76.958%0.57940%0.395SS*.  trans-98.5112.517000000108.6N10N10-A12 PolarHBondContact O-N 2.76Å
13L50.6Low57.4Low26 Ų2669.9 Ų69.914%0.13636%0.362CS..  trans-129.810.2-172.5-79.6171.6000116.1K23 A104 Y105 V108L13-K23 PolarHBondContact O-NZ 3.45Å; L13-A104 HydrophobicContact CD1-CB 3.21Å; L13-Y105 HydrophobicContact CD2-CD2 4.18Å; L13-V108 HydrophobicContact CB-CG2 4.32Å
14F47.7Very low58.1Low37 Ų3770.9 Ų70.916%0.16237%0.365CS..  trans-116.2133.4176.6-59.1-89.1000110.1V108 Q322 L325 Y346F14-V108 HydrophobicContact CE1-CG1 4.33Å; F14-V108 HydrophobicContact CE1-CG2 4.17Å; F14-V108 HydrophobicContact CZ-CG2 4.03Å; F14-Q322 HydrophobicContact CB-CB 4.32Å; F14-Q322 HydrophobicContact CB-CG 4.48Å; F14-Q322 WeakPolarHBondContact CB-O 3.47Å; F14-L325 HydrophobicContact CD2-CB 3.78Å; F14-L325 HydrophobicContact CE2-CB 3.33Å; F14-L325 HydrophobicContact CE2-CD2 3.63Å; F14-L325 HydrophobicContact CE2-CG 4.07Å; F14-L325 HydrophobicContact CZ-CB 4.42Å; F14-L325 HydrophobicContact CZ-CD2 4.42Å; F14-Y346 VanDerWaalsContact CE1-OH 3.29Å; F14-Y346 WeakPolarHBondContact CE1-OH 3.24Å
15G44.3Very low58.8Low18 Ų1875.8 Ų75.819%0.18639%0.389CS..  trans-150.8-174.9176.300000110.9E19 Q322G15-E19 WeakPolarHBondContact CA-OE2 3.24Å; G15-E19 PolarHBondContact N-OE2 2.67Å; G15-Q322 VanDerWaalsContact C-CD 3.48Å
16S45.9Very low59.7Low46 Ų4672.8 Ų72.832%0.32238%0.375SS..  trans-57.9169-157.870.20000117.2Q18 E19 R20S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.13Å; S16-E19 WeakPolarHBondContact O-CA 3.46Å; S16-E19 VanDerWaalsContact O-CB 3.31Å; S16-E19 WeakPolarHBondContact O-CB 3.45Å; S16-E19 PolarHBondContact O-N 3.11Å; S16-R20 PolarHBondContact O-N 2.84Å
17D49.7Very low60.5Low96 Ų9672.5 Ų72.551%0.51337%0.374SS..Hα-helixtrans-54.2-32175.5-70.4-39.5000113.5R20 F21 N318D17-R20 WeakPolarHBondContact O-CB 3.17Å; D17-R20 PolarHBondContact O-N 3.46Å; D17-F21 PolarHBondContact O-N 3.1Å; D17-N318 PolarHBondContact OD2-ND2 3.27Å
18Q48.5Very low61.7Low159 Ų15971.2 Ų71.274%0.74337%0.37SS*.Hα-helixtrans-67.3-39.4173.7-71.6-178.1-1300111.8S16 R20 F21 V22S16-Q18 PolarHBondContact O-N 2.74Å; S16-Q18 VanDerWaalsContact O-N 3.13Å; Q18-R20 VanDerWaalsContact C-N 3.27Å; Q18-R20 PolarHBondContact O-N 3.05Å; Q18-F21 PolarHBondContact O-N 3.32Å; Q18-V22 WeakPolarHBondContact O-CG2 3.4Å; Q18-V22 PolarHBondContact O-N 3.2Å
19E63.5Low63.5Low93 Ų9370.7 Ų70.744%0.43537%0.371SS..Hα-helixtrans-65.8-32.2172.9-65.6-178.3-16300111.6G15 S16 V22 K23G15-E19 WeakPolarHBondContact CA-OE2 3.24Å; G15-E19 PolarHBondContact N-OE2 2.67Å; S16-E19 WeakPolarHBondContact O-CA 3.46Å; S16-E19 VanDerWaalsContact O-CB 3.31Å; S16-E19 WeakPolarHBondContact O-CB 3.45Å; S16-E19 PolarHBondContact O-N 3.11Å; E19-V22 PolarHBondContact O-N 3.46Å; E19-K23 VanDerWaalsContact O-CB 3.24Å; E19-K23 WeakPolarHBondContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.39Å
20R64.6Low65.4Low124 Ų12471.4 Ų71.447%0.46837%0.372SS..Hα-helixtrans-62.8-41.9175.2-170.2178.8179.3-157.2-3.4111.9S16 D17 Q18 K23 K24 D116S16-R20 PolarHBondContact O-N 2.84Å; D17-R20 WeakPolarHBondContact O-CB 3.17Å; D17-R20 PolarHBondContact O-N 3.46Å; Q18-R20 VanDerWaalsContact C-N 3.27Å; Q18-R20 PolarHBondContact O-N 3.05Å; R20-K23 PolarHBondContact O-N 2.91Å; R20-K24 WeakPolarHBondContact O-CB 3.4Å; R20-K24 PolarHBondContact O-N 2.82Å; R20-D116 IonicContact CZ-OD2 2.84Å; R20-D116 IonicContact NE-OD2 2.67Å; R20-D116 PolarHBondContact NE-OD2 2.98Å; R20-D116 VanDerWaalsContact NE-OD2 3.16Å; R20-D116 IonicContact NH2-OD2 2.7Å; R20-D116 PolarHBondContact NH2-OD2 2.93Å
21F60Low67.4Low131 Ų13173.7 Ų73.758%0.57538%0.375SS*.Hα-helixtrans-63.5-46.9176.1-175.3-93.1000111.5D17 Q18 K23 K24 E25D17-F21 PolarHBondContact O-N 3.1Å; Q18-F21 PolarHBondContact O-N 3.32Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 3.33Å; F21-K24 PolarHBondContact O-N 3.17Å; F21-K24 VanDerWaalsContact O-N 3.12Å; F21-E25 HydrophobicContact CD1-CG 4.44Å; F21-E25 VanDerWaalsContact CE1-CD 3.44Å; F21-E25 HydrophobicContact CE1-CG 3.93Å; F21-E25 HydrophobicContact CZ-CG 4.18Å; F21-E25 PolarHBondContact O-N 3.4Å
22V68.4Low69.2Low91 Ų9173.9 Ų73.955%0.55238%0.379SS*.Hα-helixtrans-61.3-41.9176.6175.60000111.2Q18 E19 K24 E25 S26Q18-V22 WeakPolarHBondContact O-CG2 3.4Å; Q18-V22 PolarHBondContact O-N 3.2Å; E19-V22 PolarHBondContact O-N 3.46Å; V22-K24 VanDerWaalsContact C-N 3.33Å; V22-K24 PolarHBondContact O-N 3.27Å; V22-E25 PolarHBondContact O-N 3Å; V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.16Å
23K73.6Confident71.5Confident21 Ų2170.6 Ų70.69%0.09135%0.351CS..Hα-helixtrans-61.3-41.6174-77.2171.1178.6179.80111.1L13 E19 R20 F21 S26 A27 V108 T112L13-K23 PolarHBondContact O-NZ 3.45Å; E19-K23 VanDerWaalsContact O-CB 3.24Å; E19-K23 WeakPolarHBondContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.39Å; R20-K23 PolarHBondContact O-N 2.91Å; F21-K23 VanDerWaalsContact C-N 3.32Å; F21-K23 PolarHBondContact O-N 3.33Å; K23-S26 PolarHBondContact O-N 2.64Å; K23-A27 WeakPolarHBondContact O-CB 3.33Å; K23-A27 PolarHBondContact O-N 2.96Å; K23-V108 HydrophobicContact CD-CG1 4.32Å; K23-T112 HydrophobicContact CB-CG2 4.48Å
24K80Confident73.4Confident80 Ų8073.5 Ų73.535%0.34836%0.364SS..Hα-helixtrans-64.1-44.7177.8-169160-172.11490111.8R20 F21 V22 A27 E28 T112 D115R20-K24 WeakPolarHBondContact O-CB 3.4Å; R20-K24 PolarHBondContact O-N 2.82Å; F21-K24 PolarHBondContact O-N 3.17Å; F21-K24 VanDerWaalsContact O-N 3.12Å; V22-K24 VanDerWaalsContact C-N 3.33Å; V22-K24 PolarHBondContact O-N 3.27Å; K24-A27 PolarHBondContact O-N 3.49Å; K24-E28 HydrophobicContact CG-CG 4.45Å; K24-E28 VanDerWaalsContact O-CG 3.24Å; K24-E28 WeakPolarHBondContact O-CG 3.28Å; K24-E28 PolarHBondContact O-N 2.78Å; K24-T112 HydrophobicContact CB-CG2 3.88Å; K24-T112 HydrophobicContact CG-CG2 4.35Å; K24-D115 IonicContact NZ-OD1 3.78Å; K24-D115 PolarHBondContact NZ-OD1 2.72Å
25E82.9Confident75.6Confident114 Ų11475.6 Ų75.653%0.53337%0.374SS..Hα-helixtrans-63.1-42.5175-70.8-167.9141.200112.4F21 V22 A27 E28 T29F21-E25 HydrophobicContact CD1-CG 4.44Å; F21-E25 VanDerWaalsContact CE1-CD 3.44Å; F21-E25 HydrophobicContact CE1-CG 3.93Å; F21-E25 HydrophobicContact CZ-CG 4.18Å; F21-E25 PolarHBondContact O-N 3.4Å; V22-E25 PolarHBondContact O-N 3Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.86Å; E25-E28 PolarHBondContact O-N 3.41Å; E25-T29 WeakPolarHBondContact O-CG2 3.48Å; E25-T29 PolarHBondContact O-N 3.26Å; E25-T29 PolarHBondContact O-OG1 2.88Å; E25-T29 VanDerWaalsContact O-OG1 3.1Å
26S84Confident78Confident36 Ų3675.1 Ų75.125%0.25237%0.367SS..Hα-helixtrans-58.1-46.3173.4-170.40000111.1V22 K23 E28 T29 E30 E109V22-S26 WeakPolarHBondContact O-CB 3.49Å; V22-S26 PolarHBondContact O-N 3.16Å; K23-S26 PolarHBondContact O-N 2.64Å; S26-E28 PolarHBondContact O-N 3.23Å; S26-T29 PolarHBondContact O-N 3.03Å; S26-T29 PolarHBondContact O-OG1 2.66Å; S26-E30 PolarHBondContact O-N 2.79Å; S26-E109 WeakPolarHBondContact CB-OE2 3.47Å; S26-E109 PolarHBondContact OG-OE2 3.37Å
27A85.5Confident80.1Confident0 Ų078.8 Ų78.80%037%0.374CS..Hα-helixtrans-64.1-40.7-179.700000112.8K23 K24 E25 T29 E30 E109 F113K23-A27 WeakPolarHBondContact O-CB 3.33Å; K23-A27 PolarHBondContact O-N 2.96Å; K24-A27 PolarHBondContact O-N 3.49Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.86Å; A27-T29 PolarHBondContact O-N 3.45Å; A27-E30 PolarHBondContact O-N 3.34Å; A27-E109 HydrophobicContact CB-CG 3.54Å; A27-E109 WeakPolarHBondContact CB-O 3.37Å; A27-F113 HydrophobicContact CB-CB 3.93Å; A27-F113 HydrophobicContact CB-CD2 4.4Å
28E88.8Confident82.2Confident63 Ų6378 Ų7829%0.29438%0.377SS..Hα-helixtrans-69-19.7177.2-67.9-72.9175.400113.3K24 E25 S26 Q34 R37K24-E28 HydrophobicContact CG-CG 4.45Å; K24-E28 VanDerWaalsContact O-CG 3.24Å; K24-E28 WeakPolarHBondContact O-CG 3.28Å; K24-E28 PolarHBondContact O-N 2.78Å; E25-E28 PolarHBondContact O-N 3.41Å; S26-E28 PolarHBondContact O-N 3.23Å; E28-Q34 PolarHBondContact O-NE2 3.41Å; E28-R37 VanDerWaalsContact CD-NH2 3.26Å; E28-R37 IonicContact OE1-CZ 3.59Å; E28-R37 IonicContact OE1-NH1 3.66Å; E28-R37 IonicContact OE1-NH2 3.11Å; E28-R37 PolarHBondContact OE1-NH2 3.45Å; E28-R37 IonicContact OE2-CZ 3.26Å; E28-R37 VanDerWaalsContact OE2-CZ 3.26Å; E28-R37 IonicContact OE2-NH1 2.76Å; E28-R37 PolarHBondContact OE2-NH1 2.98Å; E28-R37 IonicContact OE2-NH2 3.83Å; E28-R37 PolarHBondContact OE2-NH2 3.33Å; E28-R37 VanDerWaalsContact OE2-NH2 3.11Å
29T90.3Very high84.4Confident107 Ų10771.7 Ų71.766%0.65635%0.348SS*.Hα-helixtrans-99.2-15.7179.357.20000113.5E25 S26 A27 K31E25-T29 WeakPolarHBondContact O-CG2 3.48Å; E25-T29 PolarHBondContact O-N 3.26Å; E25-T29 PolarHBondContact O-OG1 2.88Å; E25-T29 VanDerWaalsContact O-OG1 3.1Å; S26-T29 PolarHBondContact O-N 3.03Å; S26-T29 PolarHBondContact O-OG1 2.66Å; A27-T29 PolarHBondContact O-N 3.45Å; T29-K31 PolarHBondContact O-N 3.21Å
30E92Very high85.9Confident46 Ų4674.7 Ų74.722%0.21536%0.355CS..  trans-66123.1175.9177.954.7-101.800110.8S26 A27 A32 W33 Q34 L54 K106S26-E30 PolarHBondContact O-N 2.79Å; A27-E30 PolarHBondContact O-N 3.34Å; E30-A32 VanDerWaalsContact C-N 3.31Å; E30-A32 HydrophobicContact CG-CB 4.01Å; E30-A32 PolarHBondContact O-N 3.03Å; E30-A32 PolarHBondContact OE1-N 3.09Å; E30-A32 VanDerWaalsContact OE1-N 3.17Å; E30-W33 VanDerWaalsContact CB-CD1 3.43Å; E30-W33 HydrophobicContact CB-CG 4.16Å; E30-W33 VanDerWaalsContact CG-CD1 3.5Å; E30-W33 HydrophobicContact CG-CD2 4.08Å; E30-W33 HydrophobicContact CG-CG 3.93Å; E30-W33 HydrophobicContact CG-CZ2 4.45Å; E30-W33 VanDerWaalsContact CG-NE1 3.3Å; E30-W33 PolarHBondContact O-N 3.25Å; E30-Q34 PolarHBondContact O-NE2 3.44Å; E30-L54 HydrophobicContact CG-CD1 4.22Å; E30-K106 WeakPolarHBondContact OE2-CE 3.3Å; E30-K106 IonicContact OE2-NZ 2.72Å; E30-K106 PolarHBondContact OE2-NZ 3.08Å
31K92.9Very high87.3Confident182 Ų18275.4 Ų75.479%0.79136%0.364SS*.Hα-helixtrans-70.3-31.8-174.4-67.8-179.4-176.9173.90111.5T29 W33 Q34T29-K31 PolarHBondContact O-N 3.21Å; K31-W33 PolarHBondContact O-N 3.32Å; K31-Q34 PolarHBondContact O-N 3.42Å
32A93.8Very high89.1Confident12 Ų1272.5 Ų72.510%0.09936%0.36CS..Hα-helixtrans-58.4-31.9179.400000112.8E30 L54E30-A32 VanDerWaalsContact C-N 3.31Å; E30-A32 HydrophobicContact CG-CB 4.01Å; E30-A32 PolarHBondContact O-N 3.03Å; E30-A32 PolarHBondContact OE1-N 3.09Å; E30-A32 VanDerWaalsContact OE1-N 3.17Å; A32-L54 HydrophobicContact CB-CB 4.19Å; A32-L54 HydrophobicContact CB-CD1 3.68Å
33W94.7Very high90.4Very high0 Ų069.8 Ų69.80%034%0.343CS..Hα-helixtrans-87.2-23.8-174.1-50150.4000114.1E30 K31 Q35 I36 W47 L54 I72 K106 E109 L110 F113E30-W33 VanDerWaalsContact CB-CD1 3.43Å; E30-W33 HydrophobicContact CB-CG 4.16Å; E30-W33 VanDerWaalsContact CG-CD1 3.5Å; E30-W33 HydrophobicContact CG-CD2 4.08Å; E30-W33 HydrophobicContact CG-CG 3.93Å; E30-W33 HydrophobicContact CG-CZ2 4.45Å; E30-W33 VanDerWaalsContact CG-NE1 3.3Å; E30-W33 PolarHBondContact O-N 3.25Å; K31-W33 PolarHBondContact O-N 3.32Å; W33-Q35 PolarHBondContact O-N 3.17Å; W33-Q35 VanDerWaalsContact O-N 3.09Å; W33-I36 HydrophobicContact CB-CD1 4.19Å; W33-I36 HydrophobicContact CE3-CD1 3.92Å; W33-I36 VanDerWaalsContact O-CB 3.24Å; W33-I36 WeakPolarHBondContact O-CB 3.21Å; W33-I36 WeakPolarHBondContact O-CG1 3.48Å; W33-I36 PolarHBondContact O-N 3.03Å; W33-W47 AromaticContact CE3-CH2 3.95Å; W33-W47 HydrophobicContact CE3-CH2 3.95Å; W33-W47 AromaticContact CE3-CZ2 3.85Å; W33-W47 HydrophobicContact CE3-CZ2 3.85Å; W33-W47 HydrophobicContact CH2-CE3 4.48Å; W33-W47 AromaticContact CZ3-CD2 3.92Å; W33-W47 HydrophobicContact CZ3-CD2 3.92Å; W33-W47 AromaticContact CZ3-CE2 3.78Å; W33-W47 AromaticContact CZ3-CE3 3.88Å; W33-W47 HydrophobicContact CZ3-CE3 3.88Å; W33-W47 AromaticContact CZ3-CH2 3.55Å; W33-W47 HydrophobicContact CZ3-CH2 3.55Å; W33-W47 AromaticContact CZ3-CZ2 3.6Å; W33-W47 HydrophobicContact CZ3-CZ2 3.6Å; W33-W47 AromaticContact CZ3-CZ3 3.71Å; W33-W47 HydrophobicContact CZ3-CZ3 3.71Å; W33-L54 HydrophobicContact CH2-CD1 3.5Å; W33-L54 HydrophobicContact CH2-CD2 4.47Å; W33-L54 HydrophobicContact CZ2-CD1 3.48Å; W33-L54 VanDerWaalsContact CZ2-CD1 3.48Å; W33-L54 HydrophobicContact CZ3-CD1 4.19Å; W33-I72 HydrophobicContact CH2-CD1 4.33Å; W33-I72 HydrophobicContact CH2-CG2 4.44Å; W33-K106 HydrophobicContact CZ2-CB 4.35Å; W33-K106 HydrophobicContact CZ2-CD 4.47Å; W33-E109 PolarHBondContact NE1-OE1 2.9Å; W33-L110 HydrophobicContact CD2-CB 4.38Å; W33-L110 HydrophobicContact CD2-CD1 3.75Å; W33-L110 HydrophobicContact CD2-CG 4.5Å; W33-L110 HydrophobicContact CE3-CD1 3.72Å; W33-L110 HydrophobicContact CE3-CD2 4.2Å; W33-L110 HydrophobicContact CE3-CG 4.4Å; W33-L110 HydrophobicContact CG-CD1 4.16Å; W33-L110 HydrophobicContact CH2-CB 4.04Å; W33-L110 HydrophobicContact CH2-CD2 3.86Å; W33-L110 HydrophobicContact CH2-CG 4.36Å; W33-L110 HydrophobicContact CZ2-CB 3.77Å; W33-L110 HydrophobicContact CZ2-CD2 4.43Å; W33-L110 HydrophobicContact CZ2-CG 4.47Å; W33-L110 HydrophobicContact CZ3-CB 4.47Å; W33-L110 HydrophobicContact CZ3-CD1 4.12Å; W33-L110 HydrophobicContact CZ3-CD2 3.74Å; W33-L110 HydrophobicContact CZ3-CG 4.33Å; W33-F113 HydrophobicContact CB-CD1 3.91Å; W33-F113 HydrophobicContact CB-CD2 4.22Å; W33-F113 HydrophobicContact CB-CE1 3.91Å; W33-F113 HydrophobicContact CB-CE2 4.22Å; W33-F113 HydrophobicContact CB-CG 4.05Å; W33-F113 HydrophobicContact CB-CZ 4.05Å; W33-F113 WeakPolarHBondContact O-CE1 3.34Å
34Q90.9Very high91.6Very high87 Ų8770.5 Ų70.541%0.40735%0.348SS..Hα-helixtrans-54.9-38.4-171.8-62-57.9-41.400113.6E28 E30 K31 I36E28-Q34 PolarHBondContact O-NE2 3.41Å; E30-Q34 PolarHBondContact O-NE2 3.44Å; K31-Q34 PolarHBondContact O-N 3.42Å; Q34-I36 PolarHBondContact O-N 3.25Å
35Q92.4Very high92.5Very high82 Ų8267.6 Ų67.638%0.38334%0.336SS..G310 helixtrans-64.2-25.6179.964.8179.9-20.200113.1W33 R37 S38 L45W33-Q35 PolarHBondContact O-N 3.17Å; W33-Q35 VanDerWaalsContact O-N 3.09Å; Q35-R37 VanDerWaalsContact C-N 3.31Å; Q35-R37 PolarHBondContact O-N 3.41Å; Q35-S38 WeakPolarHBondContact O-CB 3.32Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 PolarHBondContact O-OG 3.23Å; Q35-L45 HydrophobicContact CG-CD1 4.49Å
36I95.5Very high93.2Very high8 Ų862.4 Ų62.44%0.04131%0.312CS..G310 helixtrans-62.4-40-172.7-60.9167.9000110.8W33 Q34 S38 I39 L45 W47 L74 I76 L110 F113 L114W33-I36 HydrophobicContact CB-CD1 4.19Å; W33-I36 HydrophobicContact CE3-CD1 3.92Å; W33-I36 VanDerWaalsContact O-CB 3.24Å; W33-I36 WeakPolarHBondContact O-CB 3.21Å; W33-I36 WeakPolarHBondContact O-CG1 3.48Å; W33-I36 PolarHBondContact O-N 3.03Å; Q34-I36 PolarHBondContact O-N 3.25Å; I36-S38 PolarHBondContact O-N 2.88Å; I36-S38 VanDerWaalsContact O-N 3.08Å; I36-I39 WeakPolarHBondContact O-CB 3.49Å; I36-I39 PolarHBondContact O-N 3.2Å; I36-L45 HydrophobicContact CD1-CD1 4.47Å; I36-L45 HydrophobicContact CG1-CD1 3.76Å; I36-W47 HydrophobicContact CD1-CH2 4.3Å; I36-L74 HydrophobicContact CD1-CD2 3.56Å; I36-L74 HydrophobicContact CG1-CD2 4.03Å; I36-L74 HydrophobicContact CG2-CD2 4.17Å; I36-I76 HydrophobicContact CG2-CD1 3.87Å; I36-L110 HydrophobicContact CD1-CD1 3.52Å; I36-F113 HydrophobicContact CB-CE1 4.22Å; I36-L114 HydrophobicContact CG2-CD2 3.94Å
37R90.4Very high93.9Very high122 Ų12260.7 Ų60.746%0.4630%0.3SS..G310 helixtrans-62.9-18.7178-70.3-175.7171.1164.71114.1E28 Q35 R40 F113E28-R37 VanDerWaalsContact CD-NH2 3.26Å; E28-R37 IonicContact OE1-CZ 3.59Å; E28-R37 IonicContact OE1-NH1 3.66Å; E28-R37 IonicContact OE1-NH2 3.11Å; E28-R37 PolarHBondContact OE1-NH2 3.45Å; E28-R37 IonicContact OE2-CZ 3.26Å; E28-R37 VanDerWaalsContact OE2-CZ 3.26Å; E28-R37 IonicContact OE2-NH1 2.76Å; E28-R37 PolarHBondContact OE2-NH1 2.98Å; E28-R37 IonicContact OE2-NH2 3.83Å; E28-R37 PolarHBondContact OE2-NH2 3.33Å; E28-R37 VanDerWaalsContact OE2-NH2 3.11Å; Q35-R37 VanDerWaalsContact C-N 3.31Å; Q35-R37 PolarHBondContact O-N 3.41Å; R37-R40 PolarHBondContact O-NH1 3.29Å; R37-F113 HydrophobicContact CG-CE1 4.01Å; R37-F113 HydrophobicContact CG-CZ 3.79Å
38S93.3Very high94.4Very high81 Ų8162.4 Ų62.457%0.56631%0.306SS*.G310 helixtrans-90.4-9.5178.574.80000113.7Q35 I36 R40Q35-S38 WeakPolarHBondContact O-CB 3.32Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 PolarHBondContact O-OG 3.23Å; I36-S38 PolarHBondContact O-N 2.88Å; I36-S38 VanDerWaalsContact O-N 3.08Å; S38-R40 VanDerWaalsContact C-NH1 3.27Å; S38-R40 PolarHBondContact O-NH1 2.72Å
39I94.6Very high94.7Very high26 Ų2659.4 Ų59.413%0.13329%0.292CS..  trans-70.4137.4-177.1-66.7175.3000110.6I36 Q41 T43 L45 I76I36-I39 WeakPolarHBondContact O-CB 3.49Å; I36-I39 PolarHBondContact O-N 3.2Å; I39-Q41 WeakPolarHBondContact CG2-O 3.46Å; I39-T43 HydrophobicContact CD1-CG2 3.93Å; I39-T43 VanDerWaalsContact CG2-OG1 3.32Å; I39-T43 WeakPolarHBondContact CG2-OG1 3.19Å; I39-L45 HydrophobicContact CD1-CD1 3.9Å; I39-L45 HydrophobicContact CD1-CG 4.48Å; I39-I76 HydrophobicContact CB-CD1 4.38Å; I39-I76 HydrophobicContact CD1-CD1 3.51Å; I39-I76 HydrophobicContact CG2-CD1 4.17Å
40R94.2Very high94.8Very high156 Ų15656 Ų5659%0.58927%0.27SS*.  trans-128.5-2.2-177-60.6-64.2177.5-94.6-0.2114.5R37 S38 K78 Y83R37-R40 PolarHBondContact O-NH1 3.29Å; S38-R40 VanDerWaalsContact C-NH1 3.27Å; S38-R40 PolarHBondContact O-NH1 2.72Å; R40-K78 PolarHBondContact O-NZ 3.27Å; R40-Y83 WeakPolarHBondContact CA-OH 3.08Å
41Q94.9Very high94.6Very high139 Ų13960.9 Ų60.965%0.6529%0.291SS*.SBendtrans-138.5160.8-177.166.8-177.8900109.3I39 T43I39-Q41 WeakPolarHBondContact CG2-O 3.46Å; Q41-T43 PolarHBondContact O-N 2.95Å; Q41-T43 PolarHBondContact O-OG1 2.97Å
42S96.9Very high94.3Very high70 Ų7058.3 Ų58.349%0.4928%0.28SS..  trans-55.7129.4175.1-51.80000110.4I76 K78S42-I76 CarbonylContact C-O 3.07Å; S42-I76 WeakPolarHBondContact CA-O 3.19Å; S42-I76 WeakPolarHBondContact CB-O 3.38Å; S42-K78 PolarHBondContact OG-N 3.31Å
43T97.6Very high94.1Very high34 Ų3463.1 Ų63.121%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-146.2137.8-169.9-57.50000109.9I39 Q41 L45 I76I39-T43 HydrophobicContact CD1-CG2 3.93Å; I39-T43 VanDerWaalsContact CG2-OG1 3.32Å; I39-T43 WeakPolarHBondContact CG2-OG1 3.19Å; Q41-T43 PolarHBondContact O-N 2.95Å; Q41-T43 PolarHBondContact O-OG1 2.97Å; T43-L45 HydrophobicContact CG2-CD2 4.05Å; T43-L45 HydrophobicContact CG2-CG 4.21Å; T43-I76 PolarHBondContact N-O 3.36Å; T43-I76 WeakPolarHBondContact O-CB 3.49Å; T43-I76 PolarHBondContact O-N 2.96Å
44L98.1Very high94.1Very high35 Ų3564.4 Ų64.418%0.18331%0.31CS..EExtended strand (participates in β ladder)trans-105.1129.8170.4-169.770.6000109V46 F62 I73 L74 N75 Y135 F136L44-V46 HydrophobicContact CG-CG2 4.4Å; L44-F62 HydrophobicContact CB-CE2 4.36Å; L44-F62 HydrophobicContact CD2-CD2 4.11Å; L44-F62 HydrophobicContact CD2-CE2 4.48Å; L44-F62 WeakPolarHBondContact O-CE2 3.45Å; L44-I73 HydrophobicContact CD1-CG2 3.64Å; L44-I73 HydrophobicContact CG-CG2 4.35Å; L44-L74 WeakPolarHBondContact CA-O 3.49Å; L44-N75 HydrophobicContact CD1-CB 4.04Å; L44-Y135 HydrophobicContact CD1-CD2 4.18Å; L44-Y135 HydrophobicContact CD1-CG 4.16Å; L44-F136 HydrophobicContact CD2-CD1 4.12Å; L44-F136 HydrophobicContact CD2-CE1 3.61Å; L44-F136 HydrophobicContact CD2-CZ 4.24Å
45L98.2Very high94.3Very high19 Ų1964.7 Ų64.710%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-120.6139.5173.9-60.9174.6000109.3Q35 I36 I39 T43 W47 I73 L74Q35-L45 HydrophobicContact CG-CD1 4.49Å; I36-L45 HydrophobicContact CD1-CD1 4.47Å; I36-L45 HydrophobicContact CG1-CD1 3.76Å; I39-L45 HydrophobicContact CD1-CD1 3.9Å; I39-L45 HydrophobicContact CD1-CG 4.48Å; T43-L45 HydrophobicContact CG2-CD2 4.05Å; T43-L45 HydrophobicContact CG2-CG 4.21Å; L45-W47 HydrophobicContact CB-CE3 4.35Å; L45-W47 HydrophobicContact CB-CH2 3.28Å; L45-W47 HydrophobicContact CB-CZ2 3.87Å; L45-W47 HydrophobicContact CB-CZ3 3.55Å; L45-W47 HydrophobicContact CD1-CH2 3.53Å; L45-W47 HydrophobicContact CD1-CZ2 3.91Å; L45-W47 HydrophobicContact CG-CH2 4.04Å; L45-W47 HydrophobicContact CG-CZ2 4.46Å; L45-I73 CarbonylContact O-C 3.57Å; L45-I73 WeakPolarHBondContact O-CA 3.24Å; L45-L74 HydrophobicContact CB-CB 4.42Å; L45-L74 HydrophobicContact CD1-CD2 4.36Å; L45-L74 PolarHBondContact N-O 3.13Å; L45-L74 PolarHBondContact O-N 3.35Å
46V98.4Very high94.6Very high5 Ų565 Ų653%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-133.9130-178.1-176.20000109.1L44 V57 F62 Y71 I72 I73 F136L44-V46 HydrophobicContact CG-CG2 4.4Å; V46-V57 HydrophobicContact CB-CB 4.01Å; V46-V57 HydrophobicContact CB-CG2 4.35Å; V46-V57 HydrophobicContact CG1-CB 3.91Å; V46-V57 HydrophobicContact CG1-CG1 4.41Å; V46-V57 HydrophobicContact CG1-CG2 3.76Å; V46-V57 PolarHBondContact O-N 3.02Å; V46-F62 HydrophobicContact CB-CD1 4Å; V46-F62 HydrophobicContact CB-CE1 3.71Å; V46-F62 HydrophobicContact CB-CZ 4.3Å; V46-F62 HydrophobicContact CG2-CD1 3.8Å; V46-F62 HydrophobicContact CG2-CD2 4.4Å; V46-F62 HydrophobicContact CG2-CE1 3.75Å; V46-F62 HydrophobicContact CG2-CE2 4.37Å; V46-F62 HydrophobicContact CG2-CG 4.14Å; V46-F62 HydrophobicContact CG2-CZ 4.05Å; V46-Y71 HydrophobicContact CG1-CD1 4.35Å; V46-I72 CarbonylContact C-O 3.5Å; V46-I72 WeakPolarHBondContact CA-O 3.41Å; V46-I73 HydrophobicContact CG1-CG1 4.24Å; V46-I73 HydrophobicContact CG2-CG1 4.32Å; V46-I73 HydrophobicContact CG2-CG2 4.25Å; V46-F136 HydrophobicContact CG2-CE1 4.28Å
47W98.1Very high94.6Very high1 Ų165.5 Ų65.50%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-122.4143.4172.8-59.1-93.8000110W33 I36 L45 L54 E55 Y71 I72 L74W33-W47 AromaticContact CE3-CH2 3.95Å; W33-W47 HydrophobicContact CE3-CH2 3.95Å; W33-W47 AromaticContact CE3-CZ2 3.85Å; W33-W47 HydrophobicContact CE3-CZ2 3.85Å; W33-W47 HydrophobicContact CH2-CE3 4.48Å; W33-W47 AromaticContact CZ3-CD2 3.92Å; W33-W47 HydrophobicContact CZ3-CD2 3.92Å; W33-W47 AromaticContact CZ3-CE2 3.78Å; W33-W47 AromaticContact CZ3-CE3 3.88Å; W33-W47 HydrophobicContact CZ3-CE3 3.88Å; W33-W47 AromaticContact CZ3-CH2 3.55Å; W33-W47 HydrophobicContact CZ3-CH2 3.55Å; W33-W47 AromaticContact CZ3-CZ2 3.6Å; W33-W47 HydrophobicContact CZ3-CZ2 3.6Å; W33-W47 AromaticContact CZ3-CZ3 3.71Å; W33-W47 HydrophobicContact CZ3-CZ3 3.71Å; I36-W47 HydrophobicContact CD1-CH2 4.3Å; L45-W47 HydrophobicContact CB-CE3 4.35Å; L45-W47 HydrophobicContact CB-CH2 3.28Å; L45-W47 HydrophobicContact CB-CZ2 3.87Å; L45-W47 HydrophobicContact CB-CZ3 3.55Å; L45-W47 HydrophobicContact CD1-CH2 3.53Å; L45-W47 HydrophobicContact CD1-CZ2 3.91Å; L45-W47 HydrophobicContact CG-CH2 4.04Å; L45-W47 HydrophobicContact CG-CZ2 4.46Å; W47-L54 HydrophobicContact CB-CB 4.27Å; W47-L54 HydrophobicContact CB-CD2 3.91Å; W47-L54 HydrophobicContact CG-CB 4.31Å; W47-L54 HydrophobicContact CG-CD2 4.41Å; W47-E55 CarbonylContact C-O 3.56Å; W47-E55 VanDerWaalsContact CA-O 3.24Å; W47-E55 WeakPolarHBondContact CA-O 3.35Å; W47-Y71 CarbonylContact O-C 3.58Å; W47-Y71 VanDerWaalsContact O-CA 3.24Å; W47-Y71 WeakPolarHBondContact O-CA 3.32Å; W47-Y71 WeakPolarHBondContact O-CB 3.08Å; W47-I72 HydrophobicContact CE3-CB 4.33Å; W47-I72 HydrophobicContact CE3-CG2 4.22Å; W47-I72 PolarHBondContact N-O 3.31Å; W47-I72 PolarHBondContact O-N 3.22Å; W47-L74 HydrophobicContact CH2-CB 4.23Å; W47-L74 HydrophobicContact CZ3-CB 3.83Å
48R97Very high94.9Very high36 Ų3666.7 Ų66.714%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-107.3135.5172.9-172.1179.6175.7-164.44.5108.8E55 V57 D69 Y71 Y146R48-E55 PolarHBondContact N-O 2.97Å; R48-E55 PolarHBondContact O-N 2.75Å; R48-V57 HydrophobicContact CB-CG2 3.92Å; R48-D69 IonicContact CZ-OD2 3.31Å; R48-D69 IonicContact NE-OD2 3.37Å; R48-D69 PolarHBondContact NE-OD2 3.38Å; R48-D69 IonicContact NH2-OD1 2.7Å; R48-D69 IonicContact NH2-OD2 2.96Å; R48-D69 PolarHBondContact NH2-OD2 3.45Å; R48-Y71 HydrophobicContact CB-CD1 3.79Å; R48-Y71 HydrophobicContact CB-CE1 3.62Å; R48-Y71 WeakPolarHBondContact CD-OH 3.18Å; R48-Y71 HydrophobicContact CG-CD1 3.92Å; R48-Y71 HydrophobicContact CG-CE1 3.41Å; R48-Y71 VanDerWaalsContact CG-CE1 3.41Å; R48-Y71 HydrophobicContact CG-CE2 4.27Å; R48-Y71 PolarHBondContact NE-OH 2.88Å; R48-Y71 VanDerWaalsContact NE-OH 3.12Å; R48-Y146 VanDerWaalsContact CD-CE2 3.41Å; R48-Y146 HydrophobicContact CG-CD2 4.47Å; R48-Y146 HydrophobicContact CG-CE2 3.69Å; R48-Y146 VanDerWaalsContact CZ-CE2 3.45Å; R48-Y146 PolarHBondContact NH1-OH 3.26Å
49I94.8Very high94.9Very high0 Ų067.6 Ų67.60%034%0.335CS..EExtended strand (participates in β ladder)trans-76.5129.5176.1-54.8-50.6000109.2N53 L54 S70 I72 E99 T102 A103 Y146I49-N53 WeakPolarHBondContact CA-O 3.24Å; I49-L54 HydrophobicContact CD1-CD2 3.52Å; I49-S70 WeakPolarHBondContact CB-O 3.26Å; I49-S70 WeakPolarHBondContact CG1-O 3.4Å; I49-S70 PolarHBondContact N-O 3.01Å; I49-I72 HydrophobicContact CD1-CD1 4.2Å; I49-I72 HydrophobicContact CD1-CG1 4.29Å; I49-E99 HydrophobicContact CG2-CB 4.28Å; I49-E99 HydrophobicContact CG2-CG 4.24Å; I49-T102 HydrophobicContact CD1-CG2 4.16Å; I49-T102 HydrophobicContact CG2-CG2 4.01Å; I49-A103 HydrophobicContact CD1-CB 4.31Å; I49-A103 HydrophobicContact CG1-CB 3.87Å; I49-Y146 VanDerWaalsContact O-CD2 3.32Å; I49-Y146 WeakPolarHBondContact O-CD2 3.43Å; I49-Y146 WeakPolarHBondContact O-CE2 3.47Å
50N92.2Very high94.8Very high36 Ų3672.5 Ų72.519%0.19336%0.362CS..EExtended strand (participates in β ladder)trans-139.7108.1174-172.3-5.1000109.3F52 N53 E55 Y146N50-F52 PolarHBondContact O-N 2.62Å; N50-N53 PolarHBondContact N-O 2.95Å; N50-N53 WeakPolarHBondContact O-CB 3.39Å; N50-N53 PolarHBondContact O-N 3.4Å; N50-E55 PolarHBondContact ND2-OE2 3.37Å; N50-Y146 HydrophobicContact CB-CD2 3.7Å; N50-Y146 HydrophobicContact CB-CE1 4.46Å; N50-Y146 HydrophobicContact CB-CE2 3.4Å; N50-Y146 HydrophobicContact CB-CG 4.36Å; N50-Y146 VanDerWaalsContact ND2-CE1 3.3Å; N50-Y146 WeakPolarHBondContact ND2-CE1 3.04Å
51K87.7Confident94.7Very high148 Ų14868.8 Ų68.864%0.64335%0.353SS*.THydrogen-bonded Turntrans47.657.5178.9-61.3174-178.8176.60112N53K51-N53 PolarHBondContact O-N 3.24Å; K51-N53 VanDerWaalsContact O-N 3.17Å; K51-N53 PolarHBondContact O-ND2 3.09Å
52F85.7Confident94.8Very high128 Ų12864.8 Ų64.856%0.56133%0.334SS*.THydrogen-bonded Turntrans66.62-177.7-51.5-84.5000116.8N50 D98 T102N50-F52 PolarHBondContact O-N 2.62Å; F52-D98 HydrophobicContact CE1-CB 3.63Å; F52-D98 HydrophobicContact CE2-CB 4.36Å; F52-D98 HydrophobicContact CZ-CB 3.47Å; F52-D98 VanDerWaalsContact CZ-CB 3.47Å; F52-T102 WeakPolarHBondContact CD1-OG1 3.49Å
53N90.9Very high94.8Very high112 Ų11261.5 Ų61.560%0.59931%0.311SS*.EExtended strand (participates in β ladder)trans-105.5154.2179.4-63-79.2000112.1I49 N50 K51I49-N53 WeakPolarHBondContact CA-O 3.24Å; N50-N53 PolarHBondContact N-O 2.95Å; N50-N53 WeakPolarHBondContact O-CB 3.39Å; N50-N53 PolarHBondContact O-N 3.4Å; K51-N53 PolarHBondContact O-N 3.24Å; K51-N53 VanDerWaalsContact O-N 3.17Å; K51-N53 PolarHBondContact O-ND2 3.09Å
54L94.7Very high94.8Very high27 Ų2760.6 Ų60.614%0.14131%0.305CS..EExtended strand (participates in β ladder)trans-92.5107.5174.4-65.2168.5000110.3E30 A32 W33 W47 I49 I72 K106E30-L54 HydrophobicContact CG-CD1 4.22Å; A32-L54 HydrophobicContact CB-CB 4.19Å; A32-L54 HydrophobicContact CB-CD1 3.68Å; W33-L54 HydrophobicContact CH2-CD1 3.5Å; W33-L54 HydrophobicContact CH2-CD2 4.47Å; W33-L54 HydrophobicContact CZ2-CD1 3.48Å; W33-L54 VanDerWaalsContact CZ2-CD1 3.48Å; W33-L54 HydrophobicContact CZ3-CD1 4.19Å; W47-L54 HydrophobicContact CB-CB 4.27Å; W47-L54 HydrophobicContact CB-CD2 3.91Å; W47-L54 HydrophobicContact CG-CB 4.31Å; W47-L54 HydrophobicContact CG-CD2 4.41Å; I49-L54 HydrophobicContact CD1-CD2 3.52Å; L54-I72 HydrophobicContact CD2-CD1 3.58Å; L54-I72 HydrophobicContact CD2-CG1 4.36Å; L54-K106 HydrophobicContact CD1-CD 4.18Å; L54-K106 HydrophobicContact CD1-CG 4.32Å; L54-K106 HydrophobicContact CD2-CB 4.49Å; L54-K106 HydrophobicContact CD2-CG 4.4Å; L54-K106 HydrophobicContact CG-CG 4.48Å
55E95.7Very high94.7Very high93 Ų9358.9 Ų58.944%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-93.2121.9172.6-168175.1155.200109.9W47 R48 N50 V57 Y146W47-E55 CarbonylContact C-O 3.56Å; W47-E55 VanDerWaalsContact CA-O 3.24Å; W47-E55 WeakPolarHBondContact CA-O 3.35Å; R48-E55 PolarHBondContact N-O 2.97Å; R48-E55 PolarHBondContact O-N 2.75Å; N50-E55 PolarHBondContact ND2-OE2 3.37Å; E55-V57 PolarHBondContact O-N 3.23Å; E55-Y146 PolarHBondContact OE1-OH 3.46Å; E55-Y146 PolarHBondContact OE2-OH 2.72Å
56V96.8Very high94.6Very high89 Ų8961.9 Ų61.954%0.53931%0.307SS..EExtended strand (participates in β ladder)trans-66122.8177.8179.80000109.4
57V96.9Very high94.4Very high19 Ų1962 Ų6212%0.11531%0.308CS..PPolyproline II helixtrans-77.9139.8174-179.40000109V46 R48 E55 D61 F62 Y71V46-V57 HydrophobicContact CB-CB 4.01Å; V46-V57 HydrophobicContact CB-CG2 4.35Å; V46-V57 HydrophobicContact CG1-CB 3.91Å; V46-V57 HydrophobicContact CG1-CG1 4.41Å; V46-V57 HydrophobicContact CG1-CG2 3.76Å; V46-V57 PolarHBondContact O-N 3.02Å; R48-V57 HydrophobicContact CB-CG2 3.92Å; E55-V57 PolarHBondContact O-N 3.23Å; V57-D61 HydrophobicContact CG1-CB 3.82Å; V57-F62 HydrophobicContact CB-CD1 4.4Å; V57-F62 HydrophobicContact CB-CE1 4.26Å; V57-F62 HydrophobicContact CG1-CD1 4.02Å; V57-F62 HydrophobicContact CG1-CE1 4.34Å; V57-F62 VanDerWaalsContact O-CE1 3.32Å; V57-F62 WeakPolarHBondContact O-CE1 3.49Å; V57-Y71 HydrophobicContact CG2-CD1 4.46Å; V57-Y71 HydrophobicContact CG2-CE1 4.45Å
58K95.7Very high94.2Very high147 Ų14762.5 Ų62.564%0.63931%0.314SS*.PPolyproline II helixtrans-73.6146.5178-65.9177.3-175.9172.40110.4D60 D61 F62K58-D60 PolarHBondContact O-N 3.23Å; K58-D60 VanDerWaalsContact O-N 3.12Å; K58-D61 PolarHBondContact O-N 3.06Å; K58-F62 VanDerWaalsContact O-CD1 3.28Å; K58-F62 WeakPolarHBondContact O-CD1 3.29Å; K58-F62 PolarHBondContact O-N 3.01Å
59P94.5Very high94.1Very high100 Ų10060.8 Ų60.865%0.64931%0.308SS*.G310 helixtrans-53.9-34.3178.5-29.236.1000114.6D61 F62P59-D61 PolarHBondContact O-N 2.52Å; P59-F62 WeakPolarHBondContact O-CB 3.26Å; P59-F62 PolarHBondContact O-N 3.01Å
60D91.4Very high94.1Very high129 Ų12960.8 Ų60.869%0.6931%0.308SS*.G310 helixtrans-65.9-21.3178.5-71.6-24.8000114K58 R221K58-D60 PolarHBondContact O-N 3.23Å; K58-D60 VanDerWaalsContact O-N 3.12Å; D60-R221 PolarHBondContact O-NH2 3.05Å
61D93.5Very high94.4Very high78 Ų7859.3 Ų59.342%0.41730%0.299SS..G310 helixtrans-100.9-5-179.3-63.6-45.1000112.5V57 K58 P59 G63 T64V57-D61 HydrophobicContact CG1-CB 3.82Å; K58-D61 PolarHBondContact O-N 3.06Å; P59-D61 PolarHBondContact O-N 2.52Å; D61-G63 PolarHBondContact O-N 3.01Å; D61-T64 VanDerWaalsContact O-CB 3.24Å; D61-T64 WeakPolarHBondContact O-CB 3.27Å; D61-T64 PolarHBondContact O-N 2.7Å; D61-T64 PolarHBondContact O-OG1 2.96Å; D61-T64 VanDerWaalsContact O-OG1 3.04Å
62F96.9Very high94.9Very high54 Ų5452.2 Ų52.224%0.23727%0.269CS..THydrogen-bonded Turntrans-53.6133.5175.7-76.16.3000110.9L44 V46 V57 K58 P59 T64 F136L44-F62 HydrophobicContact CB-CE2 4.36Å; L44-F62 HydrophobicContact CD2-CD2 4.11Å; L44-F62 HydrophobicContact CD2-CE2 4.48Å; L44-F62 WeakPolarHBondContact O-CE2 3.45Å; V46-F62 HydrophobicContact CB-CD1 4Å; V46-F62 HydrophobicContact CB-CE1 3.71Å; V46-F62 HydrophobicContact CB-CZ 4.3Å; V46-F62 HydrophobicContact CG2-CD1 3.8Å; V46-F62 HydrophobicContact CG2-CD2 4.4Å; V46-F62 HydrophobicContact CG2-CE1 3.75Å; V46-F62 HydrophobicContact CG2-CE2 4.37Å; V46-F62 HydrophobicContact CG2-CG 4.14Å; V46-F62 HydrophobicContact CG2-CZ 4.05Å; V57-F62 HydrophobicContact CB-CD1 4.4Å; V57-F62 HydrophobicContact CB-CE1 4.26Å; V57-F62 HydrophobicContact CG1-CD1 4.02Å; V57-F62 HydrophobicContact CG1-CE1 4.34Å; V57-F62 VanDerWaalsContact O-CE1 3.32Å; V57-F62 WeakPolarHBondContact O-CE1 3.49Å; K58-F62 VanDerWaalsContact O-CD1 3.28Å; K58-F62 WeakPolarHBondContact O-CD1 3.29Å; K58-F62 PolarHBondContact O-N 3.01Å; P59-F62 WeakPolarHBondContact O-CB 3.26Å; P59-F62 PolarHBondContact O-N 3.01Å; F62-T64 VanDerWaalsContact C-N 3.34Å; F62-F136 HydrophobicContact CB-CD1 4.31Å; F62-F136 HydrophobicContact CB-CE1 4.36Å
63G96.4Very high95.5Very high1 Ų146.1 Ų46.11%0.0124%0.242CC..THydrogen-bonded Turntrans85.40.2-173.700000114.1D61 F139 K140D61-G63 PolarHBondContact O-N 3.01Å; G63-F139 CarbonylContact O-C 3.56Å; G63-K140 PolarHBondContact O-N 3.22Å
64T96.4Very high95.8Very high15 Ų1540.8 Ų40.89%0.09221%0.213CC..EExtended strand (participates in β ladder)trans-100.9116.9172.2-43.30000110.2D61 F62 K140 L142D61-T64 VanDerWaalsContact O-CB 3.24Å; D61-T64 WeakPolarHBondContact O-CB 3.27Å; D61-T64 PolarHBondContact O-N 2.7Å; D61-T64 PolarHBondContact O-OG1 2.96Å; D61-T64 VanDerWaalsContact O-OG1 3.04Å; F62-T64 VanDerWaalsContact C-N 3.34Å; T64-K140 WeakPolarHBondContact OG1-CE 3Å; T64-K140 PolarHBondContact OG1-NZ 2.86Å; T64-L142 HydrophobicContact CG2-CD1 3.92Å
65F97.4Very high96Very high0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-119.8147.3179-60.9-87.8000110Y71 I73 W90 F132 F136 F139 K140 T141 L142F65-Y71 HydrophobicContact CB-CE2 4.35Å; F65-Y71 AromaticContact CD1-CD1 3.85Å; F65-Y71 HydrophobicContact CD1-CD1 3.85Å; F65-Y71 AromaticContact CD1-CD2 3.64Å; F65-Y71 HydrophobicContact CD1-CD2 3.64Å; F65-Y71 HydrophobicContact CD1-CE1 4.11Å; F65-Y71 AromaticContact CD1-CE2 3.96Å; F65-Y71 HydrophobicContact CD1-CE2 3.96Å; F65-Y71 AromaticContact CD1-CG 3.62Å; F65-Y71 HydrophobicContact CD1-CG 3.62Å; F65-Y71 AromaticContact CE1-CD1 3.99Å; F65-Y71 HydrophobicContact CE1-CD1 3.99Å; F65-Y71 HydrophobicContact CE1-CD2 4.31Å; F65-Y71 AromaticContact CE1-CG 3.85Å; F65-Y71 HydrophobicContact CE1-CG 3.85Å; F65-I73 HydrophobicContact CE1-CD1 4.03Å; F65-I73 HydrophobicContact CE1-CG1 4.37Å; F65-I73 HydrophobicContact CZ-CD1 4.43Å; F65-I73 HydrophobicContact CZ-CG1 4.38Å; F65-W90 HydrophobicContact CB-CE3 4.4Å; F65-W90 HydrophobicContact CB-CH2 3.8Å; F65-W90 HydrophobicContact CB-CZ2 3.93Å; F65-W90 HydrophobicContact CB-CZ3 4.05Å; F65-W90 HydrophobicContact CD1-CD2 4.13Å; F65-W90 HydrophobicContact CD1-CE3 4.19Å; F65-W90 HydrophobicContact CD1-CG 4.4Å; F65-W90 HydrophobicContact CG-CD2 4.45Å; F65-F132 HydrophobicContact CE1-CZ 4.05Å; F65-F132 HydrophobicContact CE2-CE1 4.45Å; F65-F132 HydrophobicContact CE2-CZ 4.23Å; F65-F132 HydrophobicContact CZ-CE1 4.32Å; F65-F132 AromaticContact CZ-CZ 3.67Å; F65-F132 HydrophobicContact CZ-CZ 3.67Å; F65-F136 HydrophobicContact CE2-CD2 4.3Å; F65-F136 AromaticContact CE2-CE2 3.89Å; F65-F136 HydrophobicContact CE2-CE2 3.89Å; F65-F136 HydrophobicContact CE2-CZ 4.02Å; F65-F136 HydrophobicContact CZ-CE1 4.33Å; F65-F136 AromaticContact CZ-CE2 3.82Å; F65-F136 HydrophobicContact CZ-CE2 3.82Å; F65-F136 AromaticContact CZ-CZ 3.63Å; F65-F136 HydrophobicContact CZ-CZ 3.63Å; F65-F139 AromaticContact CD2-CD2 3.98Å; F65-F139 HydrophobicContact CD2-CD2 3.98Å; F65-F139 AromaticContact CD2-CE2 3.37Å; F65-F139 HydrophobicContact CD2-CE2 3.37Å; F65-F139 AromaticContact CD2-CZ 3.95Å; F65-F139 HydrophobicContact CD2-CZ 3.95Å; F65-F139 AromaticContact CE2-CD2 3.74Å; F65-F139 HydrophobicContact CE2-CD2 3.74Å; F65-F139 AromaticContact CE2-CE2 3.31Å; F65-F139 HydrophobicContact CE2-CE2 3.31Å; F65-F139 HydrophobicContact CE2-CZ 4.3Å; F65-F139 HydrophobicContact CG-CE2 4.37Å; F65-F139 HydrophobicContact CZ-CE2 4.27Å; F65-K140 PolarHBondContact N-O 2.63Å; F65-T141 CarbonylContact O-C 3.5Å; F65-T141 WeakPolarHBondContact O-CA 3.36Å; F65-L142 PolarHBondContact O-N 2.81Å
66Y95.9Very high96.1Very high81 Ų8136.3 Ų36.332%0.31819%0.193SC..EExtended strand (participates in β ladder)trans-111129.4175.7-70.5-79000109.3G68 D69 Y71 W90 L142Y66-G68 PolarHBondContact O-N 2.92Å; Y66-G68 VanDerWaalsContact O-N 3.08Å; Y66-D69 WeakPolarHBondContact CB-OD2 3.5Å; Y66-D69 PolarHBondContact O-N 2.94Å; Y66-D69 VanDerWaalsContact O-N 3.07Å; Y66-Y71 WeakPolarHBondContact CD2-OH 3.23Å; Y66-Y71 PolarHBondContact N-OH 2.7Å; Y66-W90 WeakPolarHBondContact O-CZ3 3.35Å; Y66-L142 CarbonylContact C-O 3.54Å; Y66-L142 WeakPolarHBondContact CA-O 3.48Å; Y66-L142 HydrophobicContact CD1-CB 3.91Å; Y66-L142 HydrophobicContact CE1-CB 3.97Å; Y66-L142 HydrophobicContact CE1-CD1 4.06Å
67S94Very high96Very high7 Ų737 Ų375%0.04919%0.19CC..THydrogen-bonded Turntrans-64.7-14.8-173.861.20000114.2G92 K93 K94 S95 D125 L142S67-G92 CarbonylContact O-C 3.44Å; S67-G92 WeakPolarHBondContact O-CA 3.41Å; S67-K93 PolarHBondContact O-N 3.37Å; S67-K93 VanDerWaalsContact O-N 3.11Å; S67-K94 CarbonylContact O-C 3.55Å; S67-K94 WeakPolarHBondContact O-CA 3.3Å; S67-K94 PolarHBondContact O-N 2.85Å; S67-S95 PolarHBondContact O-N 2.7Å; S67-D125 VanDerWaalsContact CB-OD2 3.25Å; S67-D125 WeakPolarHBondContact CB-OD2 3.43Å; S67-L142 PolarHBondContact N-O 2.84Å; S67-L142 PolarHBondContact OG-O 3.3Å
68G93.1Very high95.9Very high13 Ų1340.5 Ų40.513%0.13420%0.203CC..THydrogen-bonded Turntrans-90.32.4175.200000115.4Y66 S95 G144Y66-G68 PolarHBondContact O-N 2.92Å; Y66-G68 VanDerWaalsContact O-N 3.08Å; G68-S95 WeakPolarHBondContact O-CA 3.44Å; G68-G144 WeakPolarHBondContact CA-O 3.35Å; G68-G144 PolarHBondContact N-O 2.6Å
69D94.7Very high95.7Very high0 Ų037 Ų370%019%0.194CC..SBendtrans-128.4176.2179.6-40-54.7000113.4R48 Y66 Y71 W90 G92 S95 E99 G145 Y146R48-D69 IonicContact CZ-OD2 3.31Å; R48-D69 IonicContact NE-OD2 3.37Å; R48-D69 PolarHBondContact NE-OD2 3.38Å; R48-D69 IonicContact NH2-OD1 2.7Å; R48-D69 IonicContact NH2-OD2 2.96Å; R48-D69 PolarHBondContact NH2-OD2 3.45Å; Y66-D69 WeakPolarHBondContact CB-OD2 3.5Å; Y66-D69 PolarHBondContact O-N 2.94Å; Y66-D69 VanDerWaalsContact O-N 3.07Å; D69-Y71 HydrophobicContact CB-CE2 3.83Å; D69-Y71 PolarHBondContact OD2-OH 2.83Å; D69-W90 WeakPolarHBondContact O-CZ3 3.47Å; D69-G92 WeakPolarHBondContact O-CA 3.29Å; D69-G92 PolarHBondContact O-N 3.34Å; D69-S95 WeakPolarHBondContact O-CB 3.43Å; D69-E99 WeakPolarHBondContact CA-OE2 3.36Å; D69-G145 VanDerWaalsContact OD1-C 3.31Å; D69-G145 WeakPolarHBondContact OD1-CA 3.11Å; D69-G145 WeakPolarHBondContact OD2-CA 3.26Å; D69-Y146 PolarHBondContact OD1-N 3.24Å
70S95.5Very high95.5Very high0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-118.2153.7169-65.30000112.1I49 W90 S95 Y100I49-S70 WeakPolarHBondContact CB-O 3.26Å; I49-S70 WeakPolarHBondContact CG1-O 3.4Å; I49-S70 PolarHBondContact N-O 3.01Å; S70-W90 VanDerWaalsContact CA-O 3.26Å; S70-W90 WeakPolarHBondContact CA-O 3.44Å; S70-S95 PolarHBondContact N-OG 3.31Å; S70-S95 PolarHBondContact OG-OG 3.39Å; S70-Y100 VanDerWaalsContact OG-CA 3.27Å; S70-Y100 WeakPolarHBondContact OG-CA 3.35Å; S70-Y100 VanDerWaalsContact OG-CB 3.31Å; S70-Y100 WeakPolarHBondContact OG-CB 3.22Å; S70-Y100 PolarHBondContact OG-N 2.9Å
71Y98.2Very high95.5Very high4 Ų436.9 Ų36.92%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-136156.8-175.1-63.4-108.8000110.9V46 W47 R48 V57 F65 Y66 D69 F89 W90V46-Y71 HydrophobicContact CG1-CD1 4.35Å; W47-Y71 CarbonylContact O-C 3.58Å; W47-Y71 VanDerWaalsContact O-CA 3.24Å; W47-Y71 WeakPolarHBondContact O-CA 3.32Å; W47-Y71 WeakPolarHBondContact O-CB 3.08Å; R48-Y71 HydrophobicContact CB-CD1 3.79Å; R48-Y71 HydrophobicContact CB-CE1 3.62Å; R48-Y71 WeakPolarHBondContact CD-OH 3.18Å; R48-Y71 HydrophobicContact CG-CD1 3.92Å; R48-Y71 HydrophobicContact CG-CE1 3.41Å; R48-Y71 VanDerWaalsContact CG-CE1 3.41Å; R48-Y71 HydrophobicContact CG-CE2 4.27Å; R48-Y71 PolarHBondContact NE-OH 2.88Å; R48-Y71 VanDerWaalsContact NE-OH 3.12Å; V57-Y71 HydrophobicContact CG2-CD1 4.46Å; V57-Y71 HydrophobicContact CG2-CE1 4.45Å; F65-Y71 HydrophobicContact CB-CE2 4.35Å; F65-Y71 AromaticContact CD1-CD1 3.85Å; F65-Y71 HydrophobicContact CD1-CD1 3.85Å; F65-Y71 AromaticContact CD1-CD2 3.64Å; F65-Y71 HydrophobicContact CD1-CD2 3.64Å; F65-Y71 HydrophobicContact CD1-CE1 4.11Å; F65-Y71 AromaticContact CD1-CE2 3.96Å; F65-Y71 HydrophobicContact CD1-CE2 3.96Å; F65-Y71 AromaticContact CD1-CG 3.62Å; F65-Y71 HydrophobicContact CD1-CG 3.62Å; F65-Y71 AromaticContact CE1-CD1 3.99Å; F65-Y71 HydrophobicContact CE1-CD1 3.99Å; F65-Y71 HydrophobicContact CE1-CD2 4.31Å; F65-Y71 AromaticContact CE1-CG 3.85Å; F65-Y71 HydrophobicContact CE1-CG 3.85Å; Y66-Y71 WeakPolarHBondContact CD2-OH 3.23Å; Y66-Y71 PolarHBondContact N-OH 2.7Å; D69-Y71 HydrophobicContact CB-CE2 3.83Å; D69-Y71 PolarHBondContact OD2-OH 2.83Å; Y71-F89 CarbonylContact O-C 3.54Å; Y71-F89 VanDerWaalsContact O-CA 3.23Å; Y71-F89 WeakPolarHBondContact O-CA 3.35Å; Y71-W90 AromaticContact CD2-CE3 3.65Å; Y71-W90 HydrophobicContact CD2-CE3 3.65Å; Y71-W90 HydrophobicContact CD2-CZ3 4.01Å; Y71-W90 HydrophobicContact CE2-CE3 4.13Å; Y71-W90 HydrophobicContact CE2-CZ3 4.02Å; Y71-W90 PolarHBondContact N-O 3.07Å; Y71-W90 PolarHBondContact O-N 3.46Å
72I98.3Very high95.4Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-119.8133.8167.6-56.2178.3000108.1W33 V46 W47 I49 L54 V87 H88 A103 K106 L110W33-I72 HydrophobicContact CH2-CD1 4.33Å; W33-I72 HydrophobicContact CH2-CG2 4.44Å; V46-I72 CarbonylContact C-O 3.5Å; V46-I72 WeakPolarHBondContact CA-O 3.41Å; W47-I72 HydrophobicContact CE3-CB 4.33Å; W47-I72 HydrophobicContact CE3-CG2 4.22Å; W47-I72 PolarHBondContact N-O 3.31Å; W47-I72 PolarHBondContact O-N 3.22Å; I49-I72 HydrophobicContact CD1-CD1 4.2Å; I49-I72 HydrophobicContact CD1-CG1 4.29Å; L54-I72 HydrophobicContact CD2-CD1 3.58Å; L54-I72 HydrophobicContact CD2-CG1 4.36Å; I72-V87 HydrophobicContact CG2-CG1 4.11Å; I72-H88 CarbonylContact C-O 3.51Å; I72-H88 WeakPolarHBondContact CA-O 3.42Å; I72-A103 HydrophobicContact CG1-CB 4.23Å; I72-K106 HydrophobicContact CD1-CB 3.26Å; I72-K106 HydrophobicContact CD1-CG 4.34Å; I72-L110 HydrophobicContact CG2-CD2 4.35Å
73I98.4Very high95.3Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-127.1126.2179.8-55.779.1000107.3L44 L45 V46 F65 V87 H88 W90 F132 Y135 F136L44-I73 HydrophobicContact CD1-CG2 3.64Å; L44-I73 HydrophobicContact CG-CG2 4.35Å; L45-I73 CarbonylContact O-C 3.57Å; L45-I73 WeakPolarHBondContact O-CA 3.24Å; V46-I73 HydrophobicContact CG1-CG1 4.24Å; V46-I73 HydrophobicContact CG2-CG1 4.32Å; V46-I73 HydrophobicContact CG2-CG2 4.25Å; F65-I73 HydrophobicContact CE1-CD1 4.03Å; F65-I73 HydrophobicContact CE1-CG1 4.37Å; F65-I73 HydrophobicContact CZ-CD1 4.43Å; F65-I73 HydrophobicContact CZ-CG1 4.38Å; I73-V87 CarbonylContact O-C 3.58Å; I73-V87 WeakPolarHBondContact O-CA 3.34Å; I73-H88 HydrophobicContact CB-CB 4.24Å; I73-H88 PolarHBondContact N-O 3.33Å; I73-H88 PolarHBondContact O-N 2.96Å; I73-W90 HydrophobicContact CD1-CB 4.14Å; I73-F132 HydrophobicContact CB-CE2 4.13Å; I73-F132 HydrophobicContact CD1-CE2 3.54Å; I73-F132 HydrophobicContact CD1-CZ 3.84Å; I73-F132 HydrophobicContact CG1-CE2 3.68Å; I73-F132 HydrophobicContact CG1-CZ 4.22Å; I73-Y135 HydrophobicContact CG2-CD2 4.48Å; I73-F136 HydrophobicContact CG1-CZ 4.39Å; I73-F136 HydrophobicContact CG2-CZ 4.28Å
74L98.5Very high95.1Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-111.8116.3170.417364.2000108.7I36 L44 L45 W47 I76 Y85 D86 V87 L110 L114I36-L74 HydrophobicContact CD1-CD2 3.56Å; I36-L74 HydrophobicContact CG1-CD2 4.03Å; I36-L74 HydrophobicContact CG2-CD2 4.17Å; L44-L74 WeakPolarHBondContact CA-O 3.49Å; L45-L74 HydrophobicContact CB-CB 4.42Å; L45-L74 HydrophobicContact CD1-CD2 4.36Å; L45-L74 PolarHBondContact N-O 3.13Å; L45-L74 PolarHBondContact O-N 3.35Å; W47-L74 HydrophobicContact CH2-CB 4.23Å; W47-L74 HydrophobicContact CZ3-CB 3.83Å; L74-I76 HydrophobicContact CD1-CG1 4.24Å; L74-I76 HydrophobicContact CD2-CD1 3.86Å; L74-I76 HydrophobicContact CD2-CG1 3.86Å; L74-I76 HydrophobicContact CG-CD1 4.3Å; L74-I76 HydrophobicContact CG-CG1 3.75Å; L74-Y85 HydrophobicContact CD1-CD1 4.18Å; L74-D86 WeakPolarHBondContact CA-O 3.34Å; L74-V87 HydrophobicContact CD1-CG2 3.66Å; L74-L110 HydrophobicContact CB-CD2 4.21Å; L74-L110 HydrophobicContact CD2-CD1 4.47Å; L74-L110 HydrophobicContact CD2-CD2 4.31Å; L74-L114 HydrophobicContact CD1-CD1 3.97Å; L74-L114 HydrophobicContact CD2-CD1 4.42Å
75N98Very high95.1Very high24 Ų2440.7 Ų40.713%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-92.5124.4164.6178.656.5000108.9L44 Y85 D86 Y135L44-N75 HydrophobicContact CD1-CB 4.04Å; N75-Y85 WeakPolarHBondContact O-CA 3.47Å; N75-D86 HydrophobicContact CB-CB 4.28Å; N75-D86 PolarHBondContact N-O 2.62Å; N75-D86 PolarHBondContact ND2-OD2 3.17Å; N75-D86 PolarHBondContact O-N 3.34Å; N75-Y135 HydrophobicContact CB-CD1 4.5Å; N75-Y135 HydrophobicContact CB-CE1 3.94Å; N75-Y135 HydrophobicContact CB-CE2 3.98Å
76I97.5Very high95Very high2 Ų241.4 Ų41.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-112.2114172.8-51179.3000106.8I36 I39 S42 T43 L74 Y83 D84 Y85I36-I76 HydrophobicContact CG2-CD1 3.87Å; I39-I76 HydrophobicContact CB-CD1 4.38Å; I39-I76 HydrophobicContact CD1-CD1 3.51Å; I39-I76 HydrophobicContact CG2-CD1 4.17Å; S42-I76 CarbonylContact C-O 3.07Å; S42-I76 WeakPolarHBondContact CA-O 3.19Å; S42-I76 WeakPolarHBondContact CB-O 3.38Å; T43-I76 PolarHBondContact N-O 3.36Å; T43-I76 WeakPolarHBondContact O-CB 3.49Å; T43-I76 PolarHBondContact O-N 2.96Å; L74-I76 HydrophobicContact CD1-CG1 4.24Å; L74-I76 HydrophobicContact CD2-CD1 3.86Å; L74-I76 HydrophobicContact CD2-CG1 3.86Å; L74-I76 HydrophobicContact CG-CD1 4.3Å; L74-I76 HydrophobicContact CG-CG1 3.75Å; I76-Y83 HydrophobicContact CG2-CD1 3.71Å; I76-Y83 HydrophobicContact CG2-CG 4.18Å; I76-D84 WeakPolarHBondContact CA-O 3.21Å; I76-Y85 HydrophobicContact CB-CD1 4.32Å; I76-Y85 HydrophobicContact CB-CE1 4.33Å; I76-Y85 HydrophobicContact CD1-CE1 4.24Å; I76-Y85 HydrophobicContact CG1-CD1 3.92Å; I76-Y85 HydrophobicContact CG1-CE1 4Å; I76-Y85 HydrophobicContact CG2-CD1 4.05Å; I76-Y85 HydrophobicContact CG2-CE1 3.67Å
77E95.5Very high95.1Very high102 Ų10237.5 Ų37.548%0.47721%0.208SC..EExtended strand (participates in β ladder)trans-106.7125.2175.1-175.2168.8-168.400110V79 Y83 D84E77-V79 HydrophobicContact CG-CG2 4.24Å; E77-V79 PolarHBondContact O-N 3.37Å; E77-Y83 CarbonylContact O-C 3.22Å; E77-Y83 VanDerWaalsContact O-CA 3.24Å; E77-Y83 WeakPolarHBondContact O-CA 3.39Å; E77-D84 PolarHBondContact N-O 3.42Å; E77-D84 PolarHBondContact O-N 2.96Å
78K94.6Very high95.2Very high93 Ų9337.2 Ų37.240%0.40421%0.206SC..EExtended strand (participates in β ladder)trans-79.2116.6175.5-174176-173.1169.60110.5R40 S42 G80 Y83R40-K78 PolarHBondContact O-NZ 3.27Å; S42-K78 PolarHBondContact OG-N 3.31Å; K78-G80 WeakPolarHBondContact CE-O 3.21Å; K78-Y83 HydrophobicContact CB-CD1 4.08Å; K78-Y83 HydrophobicContact CB-CE1 3.97Å; K78-Y83 HydrophobicContact CD-CE1 4.24Å; K78-Y83 HydrophobicContact CG-CD1 4.28Å; K78-Y83 HydrophobicContact CG-CE1 3.88Å
79V91.2Very high95.4Very high73 Ų7336.9 Ų36.944%0.44220%0.201SC..EExtended strand (participates in β ladder)trans-115.197.6178.3-175.60000109.2E77 N81 D82 D84E77-V79 HydrophobicContact CG-CG2 4.24Å; E77-V79 PolarHBondContact O-N 3.37Å; V79-N81 PolarHBondContact O-N 2.85Å; V79-N81 VanDerWaalsContact O-N 3.09Å; V79-D82 PolarHBondContact N-O 3.15Å; V79-D82 PolarHBondContact O-N 2.93Å; V79-D84 HydrophobicContact CG2-CB 4.35Å; V79-D84 WeakPolarHBondContact CG2-OD2 3.15Å
80G91.3Very high95.6Very high61 Ų6136.9 Ų36.963%0.62920%0.201SC*.THydrogen-bonded Turntrans62.1-111.6-173.400000111.7K78K78-G80 WeakPolarHBondContact CE-O 3.21Å
81N90.7Very high95.5Very high167 Ų16736.9 Ų36.989%0.89320%0.201SC*.THydrogen-bonded Turntrans-102.60.8177.8-73.1-21.2000113.5V79V79-N81 PolarHBondContact O-N 2.85Å; V79-N81 VanDerWaalsContact O-N 3.09Å
82D91.9Very high95.4Very high82 Ų8236.7 Ų36.744%0.43920%0.2SC..EExtended strand (participates in β ladder)trans-118.8-176.4178.8-150.7-13.4000110.7V79 R117V79-D82 PolarHBondContact N-O 3.15Å; V79-D82 PolarHBondContact O-N 2.93Å; D82-R117 IonicContact OD1-CZ 2.86Å; D82-R117 VanDerWaalsContact OD1-CZ 3.31Å; D82-R117 IonicContact OD1-NH1 3.81Å; D82-R117 PolarHBondContact OD1-NH1 3.23Å; D82-R117 IonicContact OD1-NH2 3.05Å; D82-R117 PolarHBondContact OD1-NH2 3.07Å; D82-R117 IonicContact OD2-CZ 3.69Å; D82-R117 IonicContact OD2-NH1 3.25Å; D82-R117 PolarHBondContact OD2-NH1 3.28Å; D82-R117 IonicContact OD2-NH2 3.64Å
83Y93.2Very high95Very high39 Ų3938.7 Ų38.715%0.15321%0.209CC..EExtended strand (participates in β ladder)trans-133.7132.8-177-57-85.2000112R40 I76 E77 K78 R117R40-Y83 WeakPolarHBondContact CA-OH 3.08Å; I76-Y83 HydrophobicContact CG2-CD1 3.71Å; I76-Y83 HydrophobicContact CG2-CG 4.18Å; E77-Y83 CarbonylContact O-C 3.22Å; E77-Y83 VanDerWaalsContact O-CA 3.24Å; E77-Y83 WeakPolarHBondContact O-CA 3.39Å; K78-Y83 HydrophobicContact CB-CD1 4.08Å; K78-Y83 HydrophobicContact CB-CE1 3.97Å; K78-Y83 HydrophobicContact CD-CE1 4.24Å; K78-Y83 HydrophobicContact CG-CD1 4.28Å; K78-Y83 HydrophobicContact CG-CE1 3.88Å; Y83-R117 PolarHBondContact O-NH2 3.09Å
84D93.6Very high94.6Very high75 Ų7543.5 Ų43.540%0.40123%0.23SC..EExtended strand (participates in β ladder)trans-91.1142.4163.9-75.2-30.9000109.8I76 E77 V79I76-D84 WeakPolarHBondContact CA-O 3.21Å; E77-D84 PolarHBondContact N-O 3.42Å; E77-D84 PolarHBondContact O-N 2.96Å; V79-D84 HydrophobicContact CG2-CB 4.35Å; V79-D84 WeakPolarHBondContact CG2-OD2 3.15Å
85Y95.3Very high94.2Very high32 Ų3243.7 Ų43.713%0.12523%0.231CC..EExtended strand (participates in β ladder)trans-124.6127-177.7-57.1-69.8000110L74 N75 I76 L114 R117 A118 V119 K350L74-Y85 HydrophobicContact CD1-CD1 4.18Å; N75-Y85 WeakPolarHBondContact O-CA 3.47Å; I76-Y85 HydrophobicContact CB-CD1 4.32Å; I76-Y85 HydrophobicContact CB-CE1 4.33Å; I76-Y85 HydrophobicContact CD1-CE1 4.24Å; I76-Y85 HydrophobicContact CG1-CD1 3.92Å; I76-Y85 HydrophobicContact CG1-CE1 4Å; I76-Y85 HydrophobicContact CG2-CD1 4.05Å; I76-Y85 HydrophobicContact CG2-CE1 3.67Å; Y85-L114 HydrophobicContact CD1-CD1 4.09Å; Y85-L114 HydrophobicContact CD1-CD2 4.24Å; Y85-L114 HydrophobicContact CD2-CB 4.49Å; Y85-L114 HydrophobicContact CD2-CD1 4.4Å; Y85-L114 HydrophobicContact CD2-CD2 4.46Å; Y85-L114 HydrophobicContact CE1-CD2 3.98Å; Y85-L114 HydrophobicContact CE2-CD2 4.22Å; Y85-L114 HydrophobicContact CG-CD1 3.95Å; Y85-L114 HydrophobicContact CG-CD2 4.47Å; Y85-R117 HydrophobicContact CD2-CB 4.2Å; Y85-A118 CarbonylContact O-C 3.57Å; Y85-A118 WeakPolarHBondContact O-CA 3.23Å; Y85-V119 PolarHBondContact O-N 3.46Å; Y85-K350 PolarHBondContact O-NZ 3.16Å
86D96.4Very high93.7Very high14 Ų1444.3 Ų44.38%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-119.1118.8166.9-54.4-85.5000108.5L74 N75 H88 H121 Q131 Y135L74-D86 WeakPolarHBondContact CA-O 3.34Å; N75-D86 HydrophobicContact CB-CB 4.28Å; N75-D86 PolarHBondContact N-O 2.62Å; N75-D86 PolarHBondContact ND2-OD2 3.17Å; N75-D86 PolarHBondContact O-N 3.34Å; D86-H88 WeakPolarHBondContact CB-NE2 3.41Å; D86-H121 IonicContact OD1-CE1 2.69Å; D86-H121 IonicContact OD1-NE2 2.73Å; D86-H121 PolarHBondContact OD1-NE2 2.96Å; D86-Q131 PolarHBondContact OD1-NE2 3.25Å; D86-Q131 PolarHBondContact OD2-NE2 3.28Å; D86-Y135 WeakPolarHBondContact CB-OH 3.34Å
87V97Very high93Very high0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-107113.4176.2-1760000108.5I72 I73 L74 T107 L110 L114 A118 V119 Q120 H121I72-V87 HydrophobicContact CG2-CG1 4.11Å; I73-V87 CarbonylContact O-C 3.58Å; I73-V87 WeakPolarHBondContact O-CA 3.34Å; L74-V87 HydrophobicContact CD1-CG2 3.66Å; V87-T107 HydrophobicContact CB-CG2 4.17Å; V87-T107 HydrophobicContact CG1-CG2 3.51Å; V87-L110 HydrophobicContact CG1-CD2 3.81Å; V87-L110 HydrophobicContact CG1-CG 4.48Å; V87-L110 HydrophobicContact CG2-CD2 3.83Å; V87-L110 HydrophobicContact CG2-CG 4.06Å; V87-L114 HydrophobicContact CG2-CD1 4.25Å; V87-A118 HydrophobicContact CB-CB 4.38Å; V87-A118 HydrophobicContact CG2-CB 3.62Å; V87-V119 PolarHBondContact N-O 2.91Å; V87-Q120 CarbonylContact O-C 3.52Å; V87-Q120 WeakPolarHBondContact O-CA 3.24Å; V87-H121 PolarHBondContact O-N 3.4Å
88H97.6Very high92.5Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-104.1137176.1-54-112.1000109.3I72 I73 D86 H121 E123 F132 Y135I72-H88 CarbonylContact C-O 3.51Å; I72-H88 WeakPolarHBondContact CA-O 3.42Å; I73-H88 HydrophobicContact CB-CB 4.24Å; I73-H88 PolarHBondContact N-O 3.33Å; I73-H88 PolarHBondContact O-N 2.96Å; D86-H88 WeakPolarHBondContact CB-NE2 3.41Å; H88-H121 CarbonylContact C-O 3.57Å; H88-H121 WeakPolarHBondContact CA-O 3.33Å; H88-H121 HydrophobicContact CB-CB 4.13Å; H88-H121 AromaticContact CD2-CD2 3.75Å; H88-H121 AromaticContact CE1-CD2 3.3Å; H88-H121 PolarHBondContact CE1-CD2 3.28Å; H88-H121 AromaticContact CE1-CG 3.35Å; H88-H121 AromaticContact CE1-ND1 3.88Å; H88-H121 AromaticContact CE1-NE2 3.81Å; H88-H121 AromaticContact CG-CD2 3.94Å; H88-H121 WeakPolarHBondContact ND1-CB 3.46Å; H88-H121 AromaticContact ND1-CD2 3.7Å; H88-H121 AromaticContact ND1-CG 3.47Å; H88-H121 AromaticContact NE2-CD2 3.35Å; H88-H121 PolarHBondContact NE2-CD2 3.03Å; H88-H121 VanDerWaalsContact NE2-CD2 3.35Å; H88-H121 AromaticContact NE2-CG 3.89Å; H88-H121 AromaticContact NE2-NE2 3.81Å; H88-E123 HydrophobicContact CB-CG 3.95Å; H88-E123 IonicContact CE1-OE1 3.09Å; H88-E123 PolarHBondContact CE1-OE1 2.98Å; H88-E123 IonicContact ND1-OE1 2.75Å; H88-E123 PolarHBondContact ND1-OE1 3.48Å; H88-F132 HydrophobicContact CB-CD2 3.87Å; H88-F132 HydrophobicContact CB-CE2 3.97Å; H88-F132 AromaticContact CG-CD2 3.69Å; H88-F132 AromaticContact ND1-CD2 3.6Å; H88-Y135 AromaticContact CD2-CE2 3.68Å; H88-Y135 AromaticContact CE1-CE2 3.83Å; H88-Y135 AromaticContact NE2-CE2 3.24Å; H88-Y135 WeakPolarHBondContact NE2-CE2 3.45Å; H88-Y135 AromaticContact NE2-CZ 3.55Å; H88-Y135 PolarHBondContact NE2-OH 3.09Å
89F96.7Very high92.2Very high7 Ų744 Ų443%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-109.4126157.262.6-74.8000109.3M11 Y71 I91 A103 A104 T107 H121 R122 E123M11-F89 HydrophobicContact CE-CE2 3.89Å; M11-F89 HydrophobicContact CE-CZ 4.14Å; M11-F89 HydrophobicContact SD-CE2 4.13Å; Y71-F89 CarbonylContact O-C 3.54Å; Y71-F89 VanDerWaalsContact O-CA 3.23Å; Y71-F89 WeakPolarHBondContact O-CA 3.35Å; F89-I91 HydrophobicContact CD2-CD1 4.2Å; F89-I91 HydrophobicContact CD2-CG1 4.01Å; F89-I91 HydrophobicContact CE2-CD1 3.91Å; F89-I91 HydrophobicContact CE2-CG1 4.24Å; F89-A103 HydrophobicContact CB-CB 4.01Å; F89-A104 HydrophobicContact CD2-CB 3.96Å; F89-A104 HydrophobicContact CE2-CB 3.72Å; F89-A104 HydrophobicContact CG-CB 4.44Å; F89-A104 HydrophobicContact CZ-CB 4.05Å; F89-T107 WeakPolarHBondContact CB-OG1 3.28Å; F89-T107 HydrophobicContact CD1-CG2 4Å; F89-H121 WeakPolarHBondContact CD1-O 3.49Å; F89-H121 WeakPolarHBondContact CE1-O 3.48Å; F89-H121 PolarHBondContact N-O 3.42Å; F89-R122 HydrophobicContact CE1-CB 3.83Å; F89-R122 HydrophobicContact CE1-CG 4.37Å; F89-R122 HydrophobicContact CE2-CB 4.07Å; F89-R122 HydrophobicContact CE2-CG 3.67Å; F89-R122 HydrophobicContact CZ-CB 3.47Å; F89-R122 VanDerWaalsContact CZ-CB 3.47Å; F89-R122 HydrophobicContact CZ-CG 3.58Å; F89-E123 PolarHBondContact O-N 3.06Å
90W97.6Very high92Very high0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-102.6130.9179.8-17795.2000109.6F65 Y66 D69 S70 Y71 I73 G92 E123 D125 E128 F132 T141F65-W90 HydrophobicContact CB-CE3 4.4Å; F65-W90 HydrophobicContact CB-CH2 3.8Å; F65-W90 HydrophobicContact CB-CZ2 3.93Å; F65-W90 HydrophobicContact CB-CZ3 4.05Å; F65-W90 HydrophobicContact CD1-CD2 4.13Å; F65-W90 HydrophobicContact CD1-CE3 4.19Å; F65-W90 HydrophobicContact CD1-CG 4.4Å; F65-W90 HydrophobicContact CG-CD2 4.45Å; Y66-W90 WeakPolarHBondContact O-CZ3 3.35Å; D69-W90 WeakPolarHBondContact O-CZ3 3.47Å; S70-W90 VanDerWaalsContact CA-O 3.26Å; S70-W90 WeakPolarHBondContact CA-O 3.44Å; Y71-W90 AromaticContact CD2-CE3 3.65Å; Y71-W90 HydrophobicContact CD2-CE3 3.65Å; Y71-W90 HydrophobicContact CD2-CZ3 4.01Å; Y71-W90 HydrophobicContact CE2-CE3 4.13Å; Y71-W90 HydrophobicContact CE2-CZ3 4.02Å; Y71-W90 PolarHBondContact N-O 3.07Å; Y71-W90 PolarHBondContact O-N 3.46Å; I73-W90 HydrophobicContact CD1-CB 4.14Å; W90-G92 VanDerWaalsContact CZ3-N 3.29Å; W90-E123 CarbonylContact C-O 3.46Å; W90-E123 WeakPolarHBondContact CA-O 3.32Å; W90-E123 HydrophobicContact CB-CB 4.21Å; W90-E123 HydrophobicContact CG-CB 4.36Å; W90-D125 HydrophobicContact CH2-CB 3.71Å; W90-D125 HydrophobicContact CZ2-CB 3.26Å; W90-D125 VanDerWaalsContact CZ2-CG 3.44Å; W90-E128 PolarHBondContact NE1-OE1 3.32Å; W90-F132 HydrophobicContact CB-CZ 3.96Å; W90-F132 AromaticContact CD1-CE1 3.44Å; W90-F132 VanDerWaalsContact CD1-CE1 3.44Å; W90-F132 AromaticContact CD1-CZ 3.72Å; W90-F132 HydrophobicContact CG-CE1 4.22Å; W90-F132 HydrophobicContact CG-CZ 4.06Å; W90-T141 HydrophobicContact CH2-CG2 3.99Å; W90-T141 HydrophobicContact CZ2-CG2 3.95Å
91I94.8Very high91.7Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-110.5115.4-177.5-49.5175.9000109.7W6 M11 F89 Y100 R122 E123 D125W6-I91 HydrophobicContact CD2-CD1 4.48Å; W6-I91 HydrophobicContact CD2-CG2 4.06Å; W6-I91 HydrophobicContact CE3-CD1 4.44Å; W6-I91 HydrophobicContact CG-CG2 3.96Å; W6-I91 HydrophobicContact CH2-CD1 4.28Å; W6-I91 HydrophobicContact CZ2-CD1 4.3Å; W6-I91 HydrophobicContact CZ2-CG2 4.4Å; W6-I91 HydrophobicContact CZ3-CD1 4.35Å; M11-I91 HydrophobicContact CE-CD1 4.17Å; M11-I91 HydrophobicContact SD-CD1 4.41Å; F89-I91 HydrophobicContact CD2-CD1 4.2Å; F89-I91 HydrophobicContact CD2-CG1 4.01Å; F89-I91 HydrophobicContact CE2-CD1 3.91Å; F89-I91 HydrophobicContact CE2-CG1 4.24Å; I91-Y100 HydrophobicContact CG2-CD1 4.31Å; I91-Y100 HydrophobicContact CG2-CG 4.22Å; I91-R122 HydrophobicContact CD1-CG 4.18Å; I91-E123 PolarHBondContact N-O 3.37Å; I91-D125 WeakPolarHBondContact O-CB 3.28Å; I91-D125 PolarHBondContact O-N 3.36Å
92G94.4Very high91.7Very high0 Ų032.9 Ų32.90%016%0.164CC..  trans-65.5144.3172.200000112.5S67 D69 W90 K94 S95S67-G92 CarbonylContact O-C 3.44Å; S67-G92 WeakPolarHBondContact O-CA 3.41Å; D69-G92 WeakPolarHBondContact O-CA 3.29Å; D69-G92 PolarHBondContact O-N 3.34Å; W90-G92 VanDerWaalsContact CZ3-N 3.29Å; G92-K94 PolarHBondContact O-N 2.78Å; G92-K94 VanDerWaalsContact O-N 3.08Å; G92-S95 WeakPolarHBondContact O-CB 3.09Å; G92-S95 PolarHBondContact O-N 2.81Å
93K91.2Very high91.7Very high41 Ų4129 Ų2918%0.17814%0.143CC..THydrogen-bonded Turntrans-48.7-37.2176.9-81.7177.9-174.9-155.40113.9E3 Y4 N5 S67 D125E3-K93 WeakPolarHBondContact O-CB 3.18Å; E3-K93 IonicContact OE1-NZ 2.69Å; E3-K93 PolarHBondContact OE1-NZ 2.7Å; Y4-K93 HydrophobicContact CD1-CB 4.42Å; Y4-K93 HydrophobicContact CD1-CG 3.8Å; Y4-K93 HydrophobicContact CE1-CB 4.49Å; Y4-K93 HydrophobicContact CE1-CD 4.26Å; Y4-K93 HydrophobicContact CE1-CG 3.43Å; Y4-K93 VanDerWaalsContact CE1-CG 3.43Å; Y4-K93 VanDerWaalsContact OH-CE 3.28Å; Y4-K93 WeakPolarHBondContact OH-CE 3.45Å; N5-K93 PolarHBondContact N-O 2.82Å; S67-K93 PolarHBondContact O-N 3.37Å; S67-K93 VanDerWaalsContact O-N 3.11Å; K93-D125 WeakPolarHBondContact CE-O 3.33Å; K93-D125 HydrophobicContact CG-CB 3.91Å; K93-D125 WeakPolarHBondContact CG-OD2 3.42Å; K93-D125 PolarHBondContact N-OD2 3.39Å
94K90.6Very high91.5Very high102 Ų10227.2 Ų27.244%0.44314%0.136SC..THydrogen-bonded Turntrans-110.710.2-175.3-54.5178.8-170.5173.90112.7S67 G92 E143S67-K94 CarbonylContact O-C 3.55Å; S67-K94 WeakPolarHBondContact O-CA 3.3Å; S67-K94 PolarHBondContact O-N 2.85Å; G92-K94 PolarHBondContact O-N 2.78Å; G92-K94 VanDerWaalsContact O-N 3.08Å; K94-E143 IonicContact NZ-OE1 2.61Å; K94-E143 PolarHBondContact NZ-OE1 2.77Å; K94-E143 IonicContact NZ-OE2 3.84Å
95S90.1Very high91.2Very high3 Ų327.4 Ų27.42%0.02113%0.132CC..  trans-64.5145.7177.7-173.40000111.6S67 G68 D69 S70 G92 E99S67-S95 PolarHBondContact O-N 2.7Å; G68-S95 WeakPolarHBondContact O-CA 3.44Å; D69-S95 WeakPolarHBondContact O-CB 3.43Å; S70-S95 PolarHBondContact N-OG 3.31Å; S70-S95 PolarHBondContact OG-OG 3.39Å; G92-S95 WeakPolarHBondContact O-CB 3.09Å; G92-S95 PolarHBondContact O-N 2.81Å; S95-E99 VanDerWaalsContact OG-CB 3.31Å; S95-E99 WeakPolarHBondContact OG-CB 3.24Å; S95-E99 PolarHBondContact OG-OE2 3.09Å
96T86.7Confident91Very high38 Ų3827 Ų2723%0.23313%0.13CC..  trans-81.2160.5-177.764.40000111.9D98 E99 Y100T96-D98 VanDerWaalsContact C-N 3.32Å; T96-D98 WeakPolarHBondContact CB-OD1 3.4Å; T96-D98 PolarHBondContact O-N 2.79Å; T96-D98 PolarHBondContact OG1-OD1 2.95Å; T96-E99 PolarHBondContact N-OE2 2.86Å; T96-E99 VanDerWaalsContact N-OE2 3.07Å; T96-E99 PolarHBondContact O-N 2.86Å; T96-E99 VanDerWaalsContact O-N 3.12Å; T96-E99 VanDerWaalsContact OG1-CG 3.28Å; T96-E99 WeakPolarHBondContact OG1-CG 3.41Å; T96-E99 PolarHBondContact OG1-OE2 3.26Å; T96-Y100 WeakPolarHBondContact O-CD1 3.42Å; T96-Y100 WeakPolarHBondContact O-CE1 3.24Å; T96-Y100 PolarHBondContact O-N 3.04Å
97Q83.5Confident90.8Very high115 Ų11526.3 Ų26.354%0.53713%0.127SC..Hα-helixtrans-55.2-45.9179.8-178.21719.300113.8T9 E99 Y100 V101T9-Q97 HydrophobicContact CG2-CG 4.22Å; Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 3.37Å; Q97-Y100 HydrophobicContact CB-CE1 4.11Å; Q97-Y100 WeakPolarHBondContact CG-OH 3.44Å; Q97-V101 HydrophobicContact CG-CG2 4.09Å; Q97-V101 WeakPolarHBondContact O-CB 3.3Å; Q97-V101 WeakPolarHBondContact O-CG2 3.35Å; Q97-V101 PolarHBondContact O-N 3.41Å; Q97-V101 VanDerWaalsContact O-N 3.09Å
98D83.8Confident90.3Very high63 Ų6326.7 Ų26.734%0.33713%0.129SC..Hα-helixtrans-61.3-3817856-59.4000112.5F52 T96 T102F52-D98 HydrophobicContact CE1-CB 3.63Å; F52-D98 HydrophobicContact CE2-CB 4.36Å; F52-D98 HydrophobicContact CZ-CB 3.47Å; F52-D98 VanDerWaalsContact CZ-CB 3.47Å; T96-D98 VanDerWaalsContact C-N 3.32Å; T96-D98 WeakPolarHBondContact CB-OD1 3.4Å; T96-D98 PolarHBondContact O-N 2.79Å; T96-D98 PolarHBondContact OG1-OD1 2.95Å; D98-T102 VanDerWaalsContact O-CB 3.23Å; D98-T102 WeakPolarHBondContact O-CB 3.32Å; D98-T102 PolarHBondContact O-N 2.86Å; D98-T102 PolarHBondContact O-OG1 2.92Å
99E87.9Confident90Very high11 Ų1126.8 Ų26.85%0.05113%0.13CC..Hα-helixtrans-68-53.7-178.2-73173.3157.500112.9I49 D69 S95 T96 Q97 T102 A103I49-E99 HydrophobicContact CG2-CB 4.28Å; I49-E99 HydrophobicContact CG2-CG 4.24Å; D69-E99 WeakPolarHBondContact CA-OE2 3.36Å; S95-E99 VanDerWaalsContact OG-CB 3.31Å; S95-E99 WeakPolarHBondContact OG-CB 3.24Å; S95-E99 PolarHBondContact OG-OE2 3.09Å; T96-E99 PolarHBondContact N-OE2 2.86Å; T96-E99 VanDerWaalsContact N-OE2 3.07Å; T96-E99 PolarHBondContact O-N 2.86Å; T96-E99 VanDerWaalsContact O-N 3.12Å; T96-E99 VanDerWaalsContact OG1-CG 3.28Å; T96-E99 WeakPolarHBondContact OG1-CG 3.41Å; T96-E99 PolarHBondContact OG1-OE2 3.26Å; Q97-E99 VanDerWaalsContact C-N 3.29Å; Q97-E99 PolarHBondContact O-N 3.37Å; E99-T102 WeakPolarHBondContact O-CB 3.43Å; E99-T102 PolarHBondContact O-N 2.88Å; E99-A103 PolarHBondContact O-N 3.06Å
100Y88.1Confident89.9Confident4 Ų426.4 Ų26.42%0.01613%0.128CC..Hα-helixtrans-73-31.4-177.667.6-104.4000112.3W6 T9 M11 S70 I91 T96 Q97 T102 A103 A104W6-Y100 HydrophobicContact CB-CD1 3.74Å; W6-Y100 HydrophobicContact CB-CE1 3.13Å; W6-Y100 HydrophobicContact CB-CE2 4.29Å; W6-Y100 HydrophobicContact CG-CD1 4.38Å; W6-Y100 HydrophobicContact CG-CE1 4.19Å; T9-Y100 WeakPolarHBondContact CB-OH 3.29Å; T9-Y100 HydrophobicContact CG2-CE2 4.26Å; T9-Y100 VanDerWaalsContact CG2-OH 3.23Å; T9-Y100 WeakPolarHBondContact CG2-OH 3.32Å; T9-Y100 PolarHBondContact OG1-OH 2.83Å; M11-Y100 HydrophobicContact CG-CD2 4.35Å; M11-Y100 HydrophobicContact CG-CE2 4.25Å; M11-Y100 HydrophobicContact SD-CD2 3.84Å; M11-Y100 HydrophobicContact SD-CE2 4.31Å; S70-Y100 VanDerWaalsContact OG-CA 3.27Å; S70-Y100 WeakPolarHBondContact OG-CA 3.35Å; S70-Y100 VanDerWaalsContact OG-CB 3.31Å; S70-Y100 WeakPolarHBondContact OG-CB 3.22Å; S70-Y100 PolarHBondContact OG-N 2.9Å; I91-Y100 HydrophobicContact CG2-CD1 4.31Å; I91-Y100 HydrophobicContact CG2-CG 4.22Å; T96-Y100 WeakPolarHBondContact O-CD1 3.42Å; T96-Y100 WeakPolarHBondContact O-CE1 3.24Å; T96-Y100 PolarHBondContact O-N 3.04Å; Q97-Y100 HydrophobicContact CB-CE1 4.11Å; Q97-Y100 WeakPolarHBondContact CG-OH 3.44Å; Y100-T102 VanDerWaalsContact C-N 3.31Å; Y100-A103 PolarHBondContact O-N 3.29Å; Y100-A104 WeakPolarHBondContact O-CB 3.4Å; Y100-A104 PolarHBondContact O-N 2.88Å
101V85.4Confident89.6Confident52 Ų5226.5 Ų26.532%0.31513%0.129SC..Hα-helixtrans-64-40.8171.4171.60000110Q97 Y105Q97-V101 HydrophobicContact CG-CG2 4.09Å; Q97-V101 WeakPolarHBondContact O-CB 3.3Å; Q97-V101 WeakPolarHBondContact O-CG2 3.35Å; Q97-V101 PolarHBondContact O-N 3.41Å; Q97-V101 VanDerWaalsContact O-N 3.09Å; V101-Y105 WeakPolarHBondContact O-CB 3.16Å; V101-Y105 PolarHBondContact O-N 2.9Å
102T89.5Confident89.3Confident13 Ų1326.9 Ų26.98%0.0813%0.131CC..Hα-helixtrans-62.2-47.3173.4-59.80000111.2I49 F52 D98 E99 Y100 A104 Y105 K106I49-T102 HydrophobicContact CD1-CG2 4.16Å; I49-T102 HydrophobicContact CG2-CG2 4.01Å; F52-T102 WeakPolarHBondContact CD1-OG1 3.49Å; D98-T102 VanDerWaalsContact O-CB 3.23Å; D98-T102 WeakPolarHBondContact O-CB 3.32Å; D98-T102 PolarHBondContact O-N 2.86Å; D98-T102 PolarHBondContact O-OG1 2.92Å; E99-T102 WeakPolarHBondContact O-CB 3.43Å; E99-T102 PolarHBondContact O-N 2.88Å; Y100-T102 VanDerWaalsContact C-N 3.31Å; T102-A104 VanDerWaalsContact C-N 3.32Å; T102-A104 PolarHBondContact O-N 2.9Å; T102-Y105 PolarHBondContact O-N 2.9Å; T102-K106 HydrophobicContact CG2-CG 4.11Å; T102-K106 VanDerWaalsContact O-CB 3.3Å; T102-K106 WeakPolarHBondContact O-CB 3.39Å; T102-K106 WeakPolarHBondContact O-CG 3.35Å; T102-K106 PolarHBondContact O-N 3.41Å
103A92.6Very high89.2Confident0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-59.3-44.3-179.600000111.8I49 I72 F89 E99 Y100 T107I49-A103 HydrophobicContact CD1-CB 4.31Å; I49-A103 HydrophobicContact CG1-CB 3.87Å; I72-A103 HydrophobicContact CG1-CB 4.23Å; F89-A103 HydrophobicContact CB-CB 4.01Å; E99-A103 PolarHBondContact O-N 3.06Å; Y100-A103 PolarHBondContact O-N 3.29Å; A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 3.29Å; A103-T107 PolarHBondContact O-OG1 3.46Å
104A87.9Confident89.3Confident2 Ų225.7 Ų25.72%0.01713%0.126CC..Hα-helixtrans-68.3-42.5178.100000111.6M11 L13 F89 Y100 T102 T107 V108M11-A104 HydrophobicContact SD-CB 4.05Å; L13-A104 HydrophobicContact CD1-CB 3.21Å; F89-A104 HydrophobicContact CD2-CB 3.96Å; F89-A104 HydrophobicContact CE2-CB 3.72Å; F89-A104 HydrophobicContact CG-CB 4.44Å; F89-A104 HydrophobicContact CZ-CB 4.05Å; Y100-A104 WeakPolarHBondContact O-CB 3.4Å; Y100-A104 PolarHBondContact O-N 2.88Å; T102-A104 VanDerWaalsContact C-N 3.32Å; T102-A104 PolarHBondContact O-N 2.9Å; A104-T107 WeakPolarHBondContact O-CB 3.5Å; A104-T107 PolarHBondContact O-N 3.28Å; A104-V108 PolarHBondContact O-N 2.84Å
105Y87.5Confident89.2Confident79 Ų7925.3 Ų25.331%0.3113%0.129SC..Hα-helixtrans-60.3-48.6175173-93.3000111.9L13 V101 T102 T107 V108 E109L13-Y105 HydrophobicContact CD2-CD2 4.18Å; V101-Y105 WeakPolarHBondContact O-CB 3.16Å; V101-Y105 PolarHBondContact O-N 2.9Å; T102-Y105 PolarHBondContact O-N 2.9Å; Y105-T107 VanDerWaalsContact C-N 3.26Å; Y105-T107 PolarHBondContact O-N 3.17Å; Y105-V108 PolarHBondContact O-N 3.06Å; Y105-V108 VanDerWaalsContact O-N 3.15Å; Y105-E109 PolarHBondContact O-N 2.62Å
106K91.8Very high89.1Confident22 Ų2226.7 Ų26.710%0.09614%0.136CC..Hα-helixtrans-67.1-26.8-179.9-75.9-59.4-164.5178.90112.7E30 W33 L54 I72 T102 E109 L110E30-K106 WeakPolarHBondContact OE2-CE 3.3Å; E30-K106 IonicContact OE2-NZ 2.72Å; E30-K106 PolarHBondContact OE2-NZ 3.08Å; W33-K106 HydrophobicContact CZ2-CB 4.35Å; W33-K106 HydrophobicContact CZ2-CD 4.47Å; L54-K106 HydrophobicContact CD1-CD 4.18Å; L54-K106 HydrophobicContact CD1-CG 4.32Å; L54-K106 HydrophobicContact CD2-CB 4.49Å; L54-K106 HydrophobicContact CD2-CG 4.4Å; L54-K106 HydrophobicContact CG-CG 4.48Å; I72-K106 HydrophobicContact CD1-CB 3.26Å; I72-K106 HydrophobicContact CD1-CG 4.34Å; T102-K106 HydrophobicContact CG2-CG 4.11Å; T102-K106 VanDerWaalsContact O-CB 3.3Å; T102-K106 WeakPolarHBondContact O-CB 3.39Å; T102-K106 WeakPolarHBondContact O-CG 3.35Å; T102-K106 PolarHBondContact O-N 3.41Å; K106-E109 WeakPolarHBondContact CD-OE1 3.4Å; K106-E109 VanDerWaalsContact NZ-CD 3.3Å; K106-E109 IonicContact NZ-OE1 3.19Å; K106-E109 PolarHBondContact NZ-OE1 2.89Å; K106-E109 IonicContact NZ-OE2 3.16Å; K106-E109 PolarHBondContact NZ-OE2 3.25Å; K106-E109 VanDerWaalsContact NZ-OE2 3.09Å; K106-L110 VanDerWaalsContact O-CB 3.27Å; K106-L110 WeakPolarHBondContact O-CB 3.27Å; K106-L110 PolarHBondContact O-N 2.81Å
107T92.1Very high89.2Confident0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-64.5-45170.3-67.50000111.6V87 F89 A103 A104 Y105 L110 D111 Q120V87-T107 HydrophobicContact CB-CG2 4.17Å; V87-T107 HydrophobicContact CG1-CG2 3.51Å; F89-T107 WeakPolarHBondContact CB-OG1 3.28Å; F89-T107 HydrophobicContact CD1-CG2 4Å; A103-T107 WeakPolarHBondContact O-CB 3.47Å; A103-T107 PolarHBondContact O-N 3.29Å; A103-T107 PolarHBondContact O-OG1 3.46Å; A104-T107 WeakPolarHBondContact O-CB 3.5Å; A104-T107 PolarHBondContact O-N 3.28Å; Y105-T107 VanDerWaalsContact C-N 3.26Å; Y105-T107 PolarHBondContact O-N 3.17Å; T107-L110 PolarHBondContact O-N 2.86Å; T107-D111 PolarHBondContact O-N 2.8Å; T107-Q120 HydrophobicContact CG2-CB 4.24Å; T107-Q120 HydrophobicContact CG2-CG 4.25Å
108V87.5Confident89.7Confident9 Ų923.7 Ų23.76%0.05512%0.116CC..Hα-helixtrans-66.3-42175.5177.80000111.1L13 F14 K23 A104 Y105 L110 D111 T112L13-V108 HydrophobicContact CB-CG2 4.32Å; F14-V108 HydrophobicContact CE1-CG1 4.33Å; F14-V108 HydrophobicContact CE1-CG2 4.17Å; F14-V108 HydrophobicContact CZ-CG2 4.03Å; K23-V108 HydrophobicContact CD-CG1 4.32Å; A104-V108 PolarHBondContact O-N 2.84Å; Y105-V108 PolarHBondContact O-N 3.06Å; Y105-V108 VanDerWaalsContact O-N 3.15Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 2.79Å; V108-D111 PolarHBondContact O-N 2.78Å; V108-T112 PolarHBondContact O-N 3.2Å; V108-T112 PolarHBondContact O-OG1 2.86Å
109E90.9Very high90.1Very high1 Ų120.9 Ų20.91%0.00510%0.101CC..Hα-helixtrans-58.6-44.8174.7-174-169.979.500111.7S26 A27 W33 Y105 K106 T112 F113S26-E109 WeakPolarHBondContact CB-OE2 3.47Å; S26-E109 PolarHBondContact OG-OE2 3.37Å; A27-E109 HydrophobicContact CB-CG 3.54Å; A27-E109 WeakPolarHBondContact CB-O 3.37Å; W33-E109 PolarHBondContact NE1-OE1 2.9Å; Y105-E109 PolarHBondContact O-N 2.62Å; K106-E109 WeakPolarHBondContact CD-OE1 3.4Å; K106-E109 VanDerWaalsContact NZ-CD 3.3Å; K106-E109 IonicContact NZ-OE1 3.19Å; K106-E109 PolarHBondContact NZ-OE1 2.89Å; K106-E109 IonicContact NZ-OE2 3.16Å; K106-E109 PolarHBondContact NZ-OE2 3.25Å; K106-E109 VanDerWaalsContact NZ-OE2 3.09Å; E109-T112 PolarHBondContact O-N 3.42Å; E109-F113 PolarHBondContact O-N 2.92Å
110L94.2Very high90.4Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-65.5-41.3177.3174.456.5000112.3W33 I36 I72 L74 V87 K106 T107 V108 T112 F113 L114W33-L110 HydrophobicContact CD2-CB 4.38Å; W33-L110 HydrophobicContact CD2-CD1 3.75Å; W33-L110 HydrophobicContact CD2-CG 4.5Å; W33-L110 HydrophobicContact CE3-CD1 3.72Å; W33-L110 HydrophobicContact CE3-CD2 4.2Å; W33-L110 HydrophobicContact CE3-CG 4.4Å; W33-L110 HydrophobicContact CG-CD1 4.16Å; W33-L110 HydrophobicContact CH2-CB 4.04Å; W33-L110 HydrophobicContact CH2-CD2 3.86Å; W33-L110 HydrophobicContact CH2-CG 4.36Å; W33-L110 HydrophobicContact CZ2-CB 3.77Å; W33-L110 HydrophobicContact CZ2-CD2 4.43Å; W33-L110 HydrophobicContact CZ2-CG 4.47Å; W33-L110 HydrophobicContact CZ3-CB 4.47Å; W33-L110 HydrophobicContact CZ3-CD1 4.12Å; W33-L110 HydrophobicContact CZ3-CD2 3.74Å; W33-L110 HydrophobicContact CZ3-CG 4.33Å; I36-L110 HydrophobicContact CD1-CD1 3.52Å; I72-L110 HydrophobicContact CG2-CD2 4.35Å; L74-L110 HydrophobicContact CB-CD2 4.21Å; L74-L110 HydrophobicContact CD2-CD1 4.47Å; L74-L110 HydrophobicContact CD2-CD2 4.31Å; V87-L110 HydrophobicContact CG1-CD2 3.81Å; V87-L110 HydrophobicContact CG1-CG 4.48Å; V87-L110 HydrophobicContact CG2-CD2 3.83Å; V87-L110 HydrophobicContact CG2-CG 4.06Å; K106-L110 VanDerWaalsContact O-CB 3.27Å; K106-L110 WeakPolarHBondContact O-CB 3.27Å; K106-L110 PolarHBondContact O-N 2.81Å; T107-L110 PolarHBondContact O-N 2.86Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 2.79Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 2.88Å; L110-F113 HydrophobicContact CD1-CD1 4.43Å; L110-F113 VanDerWaalsContact O-CB 3.28Å; L110-F113 WeakPolarHBondContact O-CB 3.31Å; L110-F113 PolarHBondContact O-N 2.56Å; L110-F113 VanDerWaalsContact O-N 3.13Å; L110-L114 HydrophobicContact CD1-CD1 4.05Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 2.9Å
111D91.3Very high90.7Very high1 Ų120.5 Ų20.51%0.00510%0.099CC..Hα-helixtrans-61.7-42175.3-173.428000111.3T107 V108 F113 L114 D115 D116 R117 A118 Q120T107-D111 PolarHBondContact O-N 2.8Å; V108-D111 PolarHBondContact O-N 2.78Å; D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.35Å; D111-L114 CarbonylContact O-C 3.58Å; D111-L114 VanDerWaalsContact O-C 3.31Å; D111-L114 WeakPolarHBondContact O-CA 3.32Å; D111-L114 WeakPolarHBondContact O-CB 3.43Å; D111-L114 PolarHBondContact O-N 2.83Å; D111-D115 PolarHBondContact O-N 3.19Å; D111-D116 WeakPolarHBondContact O-CA 3.31Å; D111-D116 PolarHBondContact O-N 3.35Å; D111-D116 VanDerWaalsContact OD1-CA 3.29Å; D111-D116 WeakPolarHBondContact OD1-CA 2.99Å; D111-R117 PolarHBondContact OD1-N 3.32Å; D111-A118 HydrophobicContact CB-CB 4.29Å; D111-A118 WeakPolarHBondContact OD1-CA 3.03Å; D111-A118 WeakPolarHBondContact OD1-CB 3.38Å; D111-A118 PolarHBondContact OD1-N 2.87Å; D111-Q120 HydrophobicContact CB-CG 4.31Å; D111-Q120 PolarHBondContact OD2-NE2 2.83Å
112T89Confident91.2Very high8 Ų818.3 Ų18.35%0.0499%0.085CC..Hα-helixtrans-62.2-35.4173-62.80000112.5K23 K24 V108 E109 L110 L114 D115 D116K23-T112 HydrophobicContact CB-CG2 4.48Å; K24-T112 HydrophobicContact CB-CG2 3.88Å; K24-T112 HydrophobicContact CG-CG2 4.35Å; V108-T112 PolarHBondContact O-N 3.2Å; V108-T112 PolarHBondContact O-OG1 2.86Å; E109-T112 PolarHBondContact O-N 3.42Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 2.88Å; T112-L114 PolarHBondContact O-N 3.17Å; T112-D115 PolarHBondContact O-N 2.99Å; T112-D116 WeakPolarHBondContact CA-OD1 3.34Å; T112-D116 PolarHBondContact OG1-OD1 2.88Å
113F92.8Very high91.5Very high6 Ų617.7 Ų17.73%0.0268%0.082CC..Hα-helixtrans-62.4-32.6171.5-175.5-103.2000112.7A27 W33 I36 R37 E109 L110 D111 D115A27-F113 HydrophobicContact CB-CB 3.93Å; A27-F113 HydrophobicContact CB-CD2 4.4Å; W33-F113 HydrophobicContact CB-CD1 3.91Å; W33-F113 HydrophobicContact CB-CD2 4.22Å; W33-F113 HydrophobicContact CB-CE1 3.91Å; W33-F113 HydrophobicContact CB-CE2 4.22Å; W33-F113 HydrophobicContact CB-CG 4.05Å; W33-F113 HydrophobicContact CB-CZ 4.05Å; W33-F113 WeakPolarHBondContact O-CE1 3.34Å; I36-F113 HydrophobicContact CB-CE1 4.22Å; R37-F113 HydrophobicContact CG-CE1 4.01Å; R37-F113 HydrophobicContact CG-CZ 3.79Å; E109-F113 PolarHBondContact O-N 2.92Å; L110-F113 HydrophobicContact CD1-CD1 4.43Å; L110-F113 VanDerWaalsContact O-CB 3.28Å; L110-F113 WeakPolarHBondContact O-CB 3.31Å; L110-F113 PolarHBondContact O-N 2.56Å; L110-F113 VanDerWaalsContact O-N 3.13Å; D111-F113 VanDerWaalsContact C-N 3.3Å; D111-F113 PolarHBondContact O-N 3.35Å; F113-D115 PolarHBondContact O-N 3.38Å
114L92.6Very high91.5Very high10 Ų1017.7 Ų17.75%0.0528%0.082CC..THydrogen-bonded Turntrans-88.818.5177.9-63.5173.3000112.6I36 L74 Y85 V87 L110 D111 T112 D116 R117 A118I36-L114 HydrophobicContact CG2-CD2 3.94Å; L74-L114 HydrophobicContact CD1-CD1 3.97Å; L74-L114 HydrophobicContact CD2-CD1 4.42Å; Y85-L114 HydrophobicContact CD1-CD1 4.09Å; Y85-L114 HydrophobicContact CD1-CD2 4.24Å; Y85-L114 HydrophobicContact CD2-CB 4.49Å; Y85-L114 HydrophobicContact CD2-CD1 4.4Å; Y85-L114 HydrophobicContact CD2-CD2 4.46Å; Y85-L114 HydrophobicContact CE1-CD2 3.98Å; Y85-L114 HydrophobicContact CE2-CD2 4.22Å; Y85-L114 HydrophobicContact CG-CD1 3.95Å; Y85-L114 HydrophobicContact CG-CD2 4.47Å; V87-L114 HydrophobicContact CG2-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CD1 4.05Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 2.9Å; D111-L114 CarbonylContact O-C 3.58Å; D111-L114 VanDerWaalsContact O-C 3.31Å; D111-L114 WeakPolarHBondContact O-CA 3.32Å; D111-L114 WeakPolarHBondContact O-CB 3.43Å; D111-L114 PolarHBondContact O-N 2.83Å; T112-L114 PolarHBondContact O-N 3.17Å; L114-D116 VanDerWaalsContact C-N 3.29Å; L114-D116 PolarHBondContact O-N 3.25Å; L114-R117 VanDerWaalsContact O-CB 3.3Å; L114-R117 WeakPolarHBondContact O-CB 3.23Å; L114-R117 WeakPolarHBondContact O-CG 3.15Å; L114-R117 PolarHBondContact O-N 2.82Å; L114-A118 HydrophobicContact CD1-CB 4.28Å
115D88.9Confident91.8Very high95 Ų9517.8 Ų17.851%0.5088%0.082SC..THydrogen-bonded Turntrans56.139.6-179.1-61.8-54.8000113.4K24 D111 T112 F113 R117K24-D115 IonicContact NZ-OD1 3.78Å; K24-D115 PolarHBondContact NZ-OD1 2.72Å; D111-D115 PolarHBondContact O-N 3.19Å; T112-D115 PolarHBondContact O-N 2.99Å; F113-D115 PolarHBondContact O-N 3.38Å; D115-R117 PolarHBondContact O-N 3.34Å
116D87.2Confident92Very high32 Ų3215.5 Ų15.517%0.1718%0.082CC..THydrogen-bonded Turntrans58.429178.6-52.8-50.2000113.4R20 D111 T112 L114R20-D116 IonicContact CZ-OD2 2.84Å; R20-D116 IonicContact NE-OD2 2.67Å; R20-D116 PolarHBondContact NE-OD2 2.98Å; R20-D116 VanDerWaalsContact NE-OD2 3.16Å; R20-D116 IonicContact NH2-OD2 2.7Å; R20-D116 PolarHBondContact NH2-OD2 2.93Å; D111-D116 WeakPolarHBondContact O-CA 3.31Å; D111-D116 PolarHBondContact O-N 3.35Å; D111-D116 VanDerWaalsContact OD1-CA 3.29Å; D111-D116 WeakPolarHBondContact OD1-CA 2.99Å; T112-D116 WeakPolarHBondContact CA-OD1 3.34Å; T112-D116 PolarHBondContact OG1-OD1 2.88Å; L114-D116 VanDerWaalsContact C-N 3.29Å; L114-D116 PolarHBondContact O-N 3.25Å
117R89.6Confident92.1Very high89 Ų8916 Ų1634%0.3369%0.086SC..  trans-92.6-5.2179.7-70.8175.236.9155.5-10113.6D82 Y83 Y85 D111 L114 D115 K350D82-R117 IonicContact OD1-CZ 2.86Å; D82-R117 VanDerWaalsContact OD1-CZ 3.31Å; D82-R117 IonicContact OD1-NH1 3.81Å; D82-R117 PolarHBondContact OD1-NH1 3.23Å; D82-R117 IonicContact OD1-NH2 3.05Å; D82-R117 PolarHBondContact OD1-NH2 3.07Å; D82-R117 IonicContact OD2-CZ 3.69Å; D82-R117 IonicContact OD2-NH1 3.25Å; D82-R117 PolarHBondContact OD2-NH1 3.28Å; D82-R117 IonicContact OD2-NH2 3.64Å; Y83-R117 PolarHBondContact O-NH2 3.09Å; Y85-R117 HydrophobicContact CD2-CB 4.2Å; D111-R117 PolarHBondContact OD1-N 3.32Å; L114-R117 VanDerWaalsContact O-CB 3.3Å; L114-R117 WeakPolarHBondContact O-CB 3.23Å; L114-R117 WeakPolarHBondContact O-CG 3.15Å; L114-R117 PolarHBondContact O-N 2.82Å; D115-R117 PolarHBondContact O-N 3.34Å; R117-K350 WeakPolarHBondContact O-CE 3.42Å; R117-K350 PolarHBondContact O-NZ 3.18Å
118A92.4Very high92.2Very high1 Ų116.3 Ų16.31%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-82.5150.3-178.100000112.2Y85 V87 D111 L114Y85-A118 CarbonylContact O-C 3.57Å; Y85-A118 WeakPolarHBondContact O-CA 3.23Å; V87-A118 HydrophobicContact CB-CB 4.38Å; V87-A118 HydrophobicContact CG2-CB 3.62Å; D111-A118 HydrophobicContact CB-CB 4.29Å; D111-A118 WeakPolarHBondContact OD1-CA 3.03Å; D111-A118 WeakPolarHBondContact OD1-CB 3.38Å; D111-A118 PolarHBondContact OD1-N 2.87Å; L114-A118 HydrophobicContact CD1-CB 4.28Å
119V93.7Very high92.5Very high3 Ų316.3 Ų16.32%0.0189%0.088CC..EExtended strand (participates in β ladder)trans-81.7129.3155.7-1720000106.7Y85 V87 H121 V344 I345 K350 L353Y85-V119 PolarHBondContact O-N 3.46Å; V87-V119 PolarHBondContact N-O 2.91Å; V119-H121 WeakPolarHBondContact CB-NE2 3.08Å; V119-H121 WeakPolarHBondContact CG1-CE1 3.41Å; V119-H121 VanDerWaalsContact CG1-NE2 3.29Å; V119-H121 WeakPolarHBondContact CG1-NE2 3.43Å; V119-H121 PolarHBondContact O-CD2 2.79Å; V119-V344 WeakPolarHBondContact CG1-O 3.4Å; V119-I345 HydrophobicContact CG1-CG1 4.01Å; V119-K350 HydrophobicContact CG2-CD 3.59Å; V119-K350 VanDerWaalsContact CG2-NZ 3.28Å; V119-K350 VanDerWaalsContact N-NZ 3.18Å; V119-L353 HydrophobicContact CG2-CD1 3.55Å
120Q93.9Very high92.5Very high5 Ų521.3 Ų21.32%0.02312%0.115CC..EExtended strand (participates in β ladder)trans-97.3134177.3-54.6179.220.400109.5V87 T107 D111 S343 V344V87-Q120 CarbonylContact O-C 3.52Å; V87-Q120 WeakPolarHBondContact O-CA 3.24Å; T107-Q120 HydrophobicContact CG2-CB 4.24Å; T107-Q120 HydrophobicContact CG2-CG 4.25Å; D111-Q120 HydrophobicContact CB-CG 4.31Å; D111-Q120 PolarHBondContact OD2-NE2 2.83Å; Q120-S343 CarbonylContact O-C 3.51Å; Q120-S343 WeakPolarHBondContact O-CA 3.42Å; Q120-V344 HydrophobicContact CB-CB 4.22Å; Q120-V344 PolarHBondContact N-O 2.63Å; Q120-V344 PolarHBondContact O-N 2.7Å
121H94.8Very high92.5Very high2 Ų225.1 Ų25.11%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-125.9127.7-177.8-54.7-90.6000111.5D86 V87 H88 F89 V119 E123 I342 S343D86-H121 IonicContact OD1-CE1 2.69Å; D86-H121 IonicContact OD1-NE2 2.73Å; D86-H121 PolarHBondContact OD1-NE2 2.96Å; V87-H121 PolarHBondContact O-N 3.4Å; H88-H121 CarbonylContact C-O 3.57Å; H88-H121 WeakPolarHBondContact CA-O 3.33Å; H88-H121 HydrophobicContact CB-CB 4.13Å; H88-H121 AromaticContact CD2-CD2 3.75Å; H88-H121 AromaticContact CE1-CD2 3.3Å; H88-H121 PolarHBondContact CE1-CD2 3.28Å; H88-H121 AromaticContact CE1-CG 3.35Å; H88-H121 AromaticContact CE1-ND1 3.88Å; H88-H121 AromaticContact CE1-NE2 3.81Å; H88-H121 AromaticContact CG-CD2 3.94Å; H88-H121 WeakPolarHBondContact ND1-CB 3.46Å; H88-H121 AromaticContact ND1-CD2 3.7Å; H88-H121 AromaticContact ND1-CG 3.47Å; H88-H121 AromaticContact NE2-CD2 3.35Å; H88-H121 PolarHBondContact NE2-CD2 3.03Å; H88-H121 VanDerWaalsContact NE2-CD2 3.35Å; H88-H121 AromaticContact NE2-CG 3.89Å; H88-H121 AromaticContact NE2-NE2 3.81Å; F89-H121 WeakPolarHBondContact CD1-O 3.49Å; F89-H121 WeakPolarHBondContact CE1-O 3.48Å; F89-H121 PolarHBondContact N-O 3.42Å; V119-H121 WeakPolarHBondContact CB-NE2 3.08Å; V119-H121 WeakPolarHBondContact CG1-CE1 3.41Å; V119-H121 VanDerWaalsContact CG1-NE2 3.29Å; V119-H121 WeakPolarHBondContact CG1-NE2 3.43Å; V119-H121 PolarHBondContact O-CD2 2.79Å; H121-E123 HydrophobicContact CB-CG 4.49Å; H121-I342 CarbonylContact C-O 3.6Å; H121-I342 VanDerWaalsContact CA-O 3.25Å; H121-I342 WeakPolarHBondContact CA-O 3.28Å; H121-S343 PolarHBondContact CE1-OG 3.39Å; H121-S343 PolarHBondContact ND1-OG 3.37Å
122R95.1Very high92.8Very high7 Ų725.1 Ų25.13%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-90.6116164.8-176.9-170.679.2165.56.3108.5M11 F89 I91 H329 P338 V340 P341 I342M11-R122 HydrophobicContact CE-CG 4.46Å; F89-R122 HydrophobicContact CE1-CB 3.83Å; F89-R122 HydrophobicContact CE1-CG 4.37Å; F89-R122 HydrophobicContact CE2-CB 4.07Å; F89-R122 HydrophobicContact CE2-CG 3.67Å; F89-R122 HydrophobicContact CZ-CB 3.47Å; F89-R122 VanDerWaalsContact CZ-CB 3.47Å; F89-R122 HydrophobicContact CZ-CG 3.58Å; I91-R122 HydrophobicContact CD1-CG 4.18Å; R122-H329 WeakPolarHBondContact CD-NE2 3.45Å; R122-H329 PolarHBondContact NH1-CD2 2.58Å; R122-H329 PolarHBondContact NH1-NE2 3.37Å; R122-P338 PolarHBondContact NH2-O 3.4Å; R122-V340 PolarHBondContact NH2-O 3.12Å; R122-P341 VanDerWaalsContact O-CA 3.29Å; R122-P341 WeakPolarHBondContact O-CA 3.42Å; R122-I342 HydrophobicContact CB-CB 4.02Å; R122-I342 HydrophobicContact CB-CG1 4.42Å; R122-I342 PolarHBondContact N-O 2.92Å; R122-I342 PolarHBondContact O-N 3.17Å
123E95.9Very high93.1Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-110.3137.2175.7-54.5-65.8177.200110.2H88 F89 W90 I91 H121 E128 S129 F132H88-E123 HydrophobicContact CB-CG 3.95Å; H88-E123 IonicContact CE1-OE1 3.09Å; H88-E123 PolarHBondContact CE1-OE1 2.98Å; H88-E123 IonicContact ND1-OE1 2.75Å; H88-E123 PolarHBondContact ND1-OE1 3.48Å; F89-E123 PolarHBondContact O-N 3.06Å; W90-E123 CarbonylContact C-O 3.46Å; W90-E123 WeakPolarHBondContact CA-O 3.32Å; W90-E123 HydrophobicContact CB-CB 4.21Å; W90-E123 HydrophobicContact CG-CB 4.36Å; I91-E123 PolarHBondContact N-O 3.37Å; H121-E123 HydrophobicContact CB-CG 4.49Å; E123-E128 HydrophobicContact CB-CG 4.39Å; E123-E128 WeakPolarHBondContact OE2-CA 3.49Å; E123-S129 PolarHBondContact OE1-OG 2.84Å; E123-S129 PolarHBondContact OE2-N 3.36Å; E123-S129 PolarHBondContact OE2-OG 3.02Å; E123-F132 HydrophobicContact CB-CD1 4.48Å; E123-F132 HydrophobicContact CG-CB 4.11Å; E123-F132 HydrophobicContact CG-CD1 4.26Å; E123-F132 HydrophobicContact CG-CD2 3.89Å; E123-F132 HydrophobicContact CG-CE2 4.32Å; E123-F132 HydrophobicContact CG-CG 3.84Å; E123-F132 WeakPolarHBondContact OE1-CB 3.26Å
124V93.5Very high93.2Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-120131.7-176.6173.30000109.3Y4 W6 G126 L127 E128Y4-V124 HydrophobicContact CD1-CG1 3.93Å; Y4-V124 HydrophobicContact CE1-CG1 3.43Å; Y4-V124 VanDerWaalsContact CE1-CG1 3.43Å; W6-V124 HydrophobicContact CH2-CG1 4.48Å; W6-V124 HydrophobicContact CH2-CG2 3.6Å; W6-V124 HydrophobicContact CZ2-CB 4.19Å; W6-V124 HydrophobicContact CZ2-CG1 3.66Å; W6-V124 HydrophobicContact CZ2-CG2 3.49Å; W6-V124 VanDerWaalsContact CZ2-CG2 3.49Å; V124-G126 PolarHBondContact O-N 3.32Å; V124-L127 HydrophobicContact CB-CB 4.25Å; V124-L127 HydrophobicContact CG1-CB 4.4Å; V124-L127 HydrophobicContact CG1-CD1 4.11Å; V124-L127 CarbonylContact O-C 3.59Å; V124-L127 PolarHBondContact O-N 3.01Å; V124-E128 VanDerWaalsContact O-CD 3.25Å; V124-E128 WeakPolarHBondContact O-CG 3.44Å; V124-E128 PolarHBondContact O-N 3.37Å
125D94.3Very high93.4Very high4 Ų430.5 Ų30.52%0.02116%0.155CC..THydrogen-bonded Turntrans-52113.3177.2179.86.8000112.7Y4 S67 W90 I91 K93 E128 T141 R176Y4-D125 WeakPolarHBondContact CE1-O 3.49Å; Y4-D125 PolarHBondContact OH-O 2.89Å; S67-D125 VanDerWaalsContact CB-OD2 3.25Å; S67-D125 WeakPolarHBondContact CB-OD2 3.43Å; W90-D125 HydrophobicContact CH2-CB 3.71Å; W90-D125 HydrophobicContact CZ2-CB 3.26Å; W90-D125 VanDerWaalsContact CZ2-CG 3.44Å; I91-D125 WeakPolarHBondContact O-CB 3.28Å; I91-D125 PolarHBondContact O-N 3.36Å; K93-D125 WeakPolarHBondContact CE-O 3.33Å; K93-D125 HydrophobicContact CG-CB 3.91Å; K93-D125 WeakPolarHBondContact CG-OD2 3.42Å; K93-D125 PolarHBondContact N-OD2 3.39Å; D125-E128 WeakPolarHBondContact CA-OE1 3.36Å; D125-T141 VanDerWaalsContact OD1-CG2 3.29Å; D125-T141 WeakPolarHBondContact OD1-CG2 3.33Å; D125-T141 WeakPolarHBondContact OD2-CG2 3.26Å; D125-R176 IonicContact OD1-NH1 3.03Å; D125-R176 PolarHBondContact OD1-NH1 3.48Å
126G91.5Very high93.7Very high31 Ų3126.3 Ų26.332%0.3213%0.132SC..THydrogen-bonded Turntrans100.5-12.6-179.800000113.9V124 E128V124-G126 PolarHBondContact O-N 3.32Å; G126-E128 VanDerWaalsContact N-CD 3.34Å; G126-E128 PolarHBondContact N-OE1 2.83Å; G126-E128 VanDerWaalsContact N-OE1 3.08Å; G126-E128 PolarHBondContact N-OE2 3.04Å
127L92.1Very high94Very high32 Ų3232.7 Ų32.717%0.16816%0.158CC..SBendtrans-131.618.7-172.8-58.8171.3000111.9V124 F262 L339 P341V124-L127 HydrophobicContact CB-CB 4.25Å; V124-L127 HydrophobicContact CG1-CB 4.4Å; V124-L127 HydrophobicContact CG1-CD1 4.11Å; V124-L127 CarbonylContact O-C 3.59Å; V124-L127 PolarHBondContact O-N 3.01Å; L127-F262 HydrophobicContact CD1-CD2 4.08Å; L127-F262 HydrophobicContact CD1-CE2 3.66Å; L127-F262 HydrophobicContact CD2-CD2 3.6Å; L127-F262 HydrophobicContact CD2-CE2 4Å; L127-F262 HydrophobicContact CG-CE2 4.5Å; L127-L339 HydrophobicContact CD1-CB 3.36Å; L127-L339 HydrophobicContact CD1-CD1 4.25Å; L127-L339 HydrophobicContact CD1-CG 4.46Å; L127-P341 WeakPolarHBondContact O-CD 3.34Å; L127-P341 WeakPolarHBondContact O-CG 3.41Å
128E94.5Very high94.2Very high7 Ų732.9 Ų32.93%0.03316%0.159CC..  trans-65.3146.5-174.5-51.784161.200112.1W90 E123 V124 D125 G126 F132 K133 F139 R176W90-E128 PolarHBondContact NE1-OE1 3.32Å; E123-E128 HydrophobicContact CB-CG 4.39Å; E123-E128 WeakPolarHBondContact OE2-CA 3.49Å; V124-E128 VanDerWaalsContact O-CD 3.25Å; V124-E128 WeakPolarHBondContact O-CG 3.44Å; V124-E128 PolarHBondContact O-N 3.37Å; D125-E128 WeakPolarHBondContact CA-OE1 3.36Å; G126-E128 VanDerWaalsContact N-CD 3.34Å; G126-E128 PolarHBondContact N-OE1 2.83Å; G126-E128 VanDerWaalsContact N-OE1 3.08Å; G126-E128 PolarHBondContact N-OE2 3.04Å; E128-F132 HydrophobicContact CB-CD1 3.72Å; E128-F132 HydrophobicContact CB-CE1 4.37Å; E128-F132 HydrophobicContact CG-CD1 3.86Å; E128-F132 HydrophobicContact CG-CE1 3.98Å; E128-K133 HydrophobicContact CB-CD 4.48Å; E128-K133 HydrophobicContact CB-CG 4.27Å; E128-K133 PolarHBondContact O-NZ 2.99Å; E128-F139 HydrophobicContact CG-CZ 4.08Å; E128-F139 WeakPolarHBondContact OE1-CE1 3.26Å; E128-F139 VanDerWaalsContact OE1-CZ 3.28Å; E128-F139 WeakPolarHBondContact OE1-CZ 3.23Å; E128-R176 IonicContact OE1-CZ 3.7Å; E128-R176 IonicContact OE1-NH1 3.46Å; E128-R176 PolarHBondContact OE1-NH1 2.79Å; E128-R176 IonicContact OE1-NH2 3.17Å; E128-R176 PolarHBondContact OE1-NH2 2.85Å; E128-R176 IonicContact OE2-CZ 3.22Å; E128-R176 IonicContact OE2-NH1 3.75Å; E128-R176 PolarHBondContact OE2-NH1 3.01Å; E128-R176 IonicContact OE2-NH2 2.92Å; E128-R176 PolarHBondContact OE2-NH2 3.49Å
129S93.9Very high94.4Very high9 Ų932.9 Ų32.96%0.06316%0.159CC..  trans-57.7150.9174.475.30000111.3E123 Q131 F132 K133E123-S129 PolarHBondContact OE1-OG 2.84Å; E123-S129 PolarHBondContact OE2-N 3.36Å; E123-S129 PolarHBondContact OE2-OG 3.02Å; S129-Q131 VanDerWaalsContact C-N 3.3Å; S129-Q131 PolarHBondContact O-N 3.26Å; S129-F132 PolarHBondContact O-N 3.35Å; S129-F132 VanDerWaalsContact OG-CB 3.29Å; S129-F132 WeakPolarHBondContact OG-CB 3.46Å; S129-F132 PolarHBondContact OG-N 3.34Å; S129-F132 VanDerWaalsContact OG-N 3.14Å; S129-K133 WeakPolarHBondContact O-CE 3.33Å; S129-K133 PolarHBondContact O-N 2.96Å
130N91.1Very high94.5Very high106 Ų10634.2 Ų34.257%0.56717%0.165SC*.Hα-helixtrans-63-41175.3-74.6-19.2000111F132 K133 M134N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.04Å; N130-K133 PolarHBondContact O-N 3.02Å; N130-K133 VanDerWaalsContact O-N 3.17Å; N130-K133 VanDerWaalsContact OD1-CE 3.29Å; N130-K133 WeakPolarHBondContact OD1-CE 3.21Å; N130-K133 PolarHBondContact OD1-NZ 3.44Å; N130-M134 VanDerWaalsContact O-CG 3.24Å; N130-M134 WeakPolarHBondContact O-CG 3.5Å; N130-M134 PolarHBondContact O-N 3.18Å
131Q93.9Very high94.6Very high80 Ų8034.2 Ų34.237%0.37417%0.165SC..Hα-helixtrans-51.1-50.7175.5179.6-179.2-6.500111.4D86 S129 K133 M134 Y135D86-Q131 PolarHBondContact OD1-NE2 3.25Å; D86-Q131 PolarHBondContact OD2-NE2 3.28Å; S129-Q131 VanDerWaalsContact C-N 3.3Å; S129-Q131 PolarHBondContact O-N 3.26Å; Q131-K133 PolarHBondContact O-N 2.69Å; Q131-M134 PolarHBondContact O-N 3.12Å; Q131-Y135 HydrophobicContact CG-CE1 4.19Å; Q131-Y135 WeakPolarHBondContact CG-OH 3.34Å; Q131-Y135 PolarHBondContact NE2-OH 3.45Å
132F97.2Very high94.5Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-58.7-46179.3178.6-107.3000113.1F65 I73 H88 W90 E123 E128 S129 N130 M134 Y135 F136 F139F65-F132 HydrophobicContact CE1-CZ 4.05Å; F65-F132 HydrophobicContact CE2-CE1 4.45Å; F65-F132 HydrophobicContact CE2-CZ 4.23Å; F65-F132 HydrophobicContact CZ-CE1 4.32Å; F65-F132 AromaticContact CZ-CZ 3.67Å; F65-F132 HydrophobicContact CZ-CZ 3.67Å; I73-F132 HydrophobicContact CB-CE2 4.13Å; I73-F132 HydrophobicContact CD1-CE2 3.54Å; I73-F132 HydrophobicContact CD1-CZ 3.84Å; I73-F132 HydrophobicContact CG1-CE2 3.68Å; I73-F132 HydrophobicContact CG1-CZ 4.22Å; H88-F132 HydrophobicContact CB-CD2 3.87Å; H88-F132 HydrophobicContact CB-CE2 3.97Å; H88-F132 AromaticContact CG-CD2 3.69Å; H88-F132 AromaticContact ND1-CD2 3.6Å; W90-F132 HydrophobicContact CB-CZ 3.96Å; W90-F132 AromaticContact CD1-CE1 3.44Å; W90-F132 VanDerWaalsContact CD1-CE1 3.44Å; W90-F132 AromaticContact CD1-CZ 3.72Å; W90-F132 HydrophobicContact CG-CE1 4.22Å; W90-F132 HydrophobicContact CG-CZ 4.06Å; E123-F132 HydrophobicContact CB-CD1 4.48Å; E123-F132 HydrophobicContact CG-CB 4.11Å; E123-F132 HydrophobicContact CG-CD1 4.26Å; E123-F132 HydrophobicContact CG-CD2 3.89Å; E123-F132 HydrophobicContact CG-CE2 4.32Å; E123-F132 HydrophobicContact CG-CG 3.84Å; E123-F132 WeakPolarHBondContact OE1-CB 3.26Å; E128-F132 HydrophobicContact CB-CD1 3.72Å; E128-F132 HydrophobicContact CB-CE1 4.37Å; E128-F132 HydrophobicContact CG-CD1 3.86Å; E128-F132 HydrophobicContact CG-CE1 3.98Å; S129-F132 PolarHBondContact O-N 3.35Å; S129-F132 VanDerWaalsContact OG-CB 3.29Å; S129-F132 WeakPolarHBondContact OG-CB 3.46Å; S129-F132 PolarHBondContact OG-N 3.34Å; S129-F132 VanDerWaalsContact OG-N 3.14Å; N130-F132 VanDerWaalsContact C-N 3.31Å; N130-F132 PolarHBondContact O-N 3.04Å; F132-M134 VanDerWaalsContact C-N 3.29Å; F132-M134 PolarHBondContact O-N 2.93Å; F132-Y135 HydrophobicContact CD2-CD2 4.3Å; F132-Y135 HydrophobicContact CD2-CE2 4.44Å; F132-Y135 WeakPolarHBondContact O-CD2 3.29Å; F132-Y135 PolarHBondContact O-N 2.96Å; F132-F136 HydrophobicContact CD2-CE2 4.41Å; F132-F136 HydrophobicContact CE1-CE2 4.29Å; F132-F136 HydrophobicContact CE2-CE2 4.05Å; F132-F136 HydrophobicContact CE2-CZ 4.48Å; F132-F136 AromaticContact CZ-CE2 4Å; F132-F136 HydrophobicContact CZ-CE2 4Å; F132-F136 WeakPolarHBondContact O-CD2 3.35Å; F132-F136 WeakPolarHBondContact O-CE2 3.32Å; F132-F139 HydrophobicContact CD1-CE2 4.04Å; F132-F139 HydrophobicContact CE1-CD2 4.33Å; F132-F139 AromaticContact CE1-CE2 3.41Å; F132-F139 HydrophobicContact CE1-CE2 3.41Å; F132-F139 VanDerWaalsContact CE1-CE2 3.41Å; F132-F139 AromaticContact CE1-CZ 3.97Å; F132-F139 HydrophobicContact CE1-CZ 3.97Å; F132-F139 HydrophobicContact CZ-CE2 4.28Å
133K95.5Very high94.3Very high31 Ų3137.9 Ų37.914%0.13518%0.183CC..Hα-helixtrans-64.4-33.9179-68.5174.1-59.3-157.10112.2E128 S129 N130 Q131 Y135 F136 F139 I168 V174E128-K133 HydrophobicContact CB-CD 4.48Å; E128-K133 HydrophobicContact CB-CG 4.27Å; E128-K133 PolarHBondContact O-NZ 2.99Å; S129-K133 WeakPolarHBondContact O-CE 3.33Å; S129-K133 PolarHBondContact O-N 2.96Å; N130-K133 PolarHBondContact O-N 3.02Å; N130-K133 VanDerWaalsContact O-N 3.17Å; N130-K133 VanDerWaalsContact OD1-CE 3.29Å; N130-K133 WeakPolarHBondContact OD1-CE 3.21Å; N130-K133 PolarHBondContact OD1-NZ 3.44Å; Q131-K133 PolarHBondContact O-N 2.69Å; K133-Y135 PolarHBondContact O-N 3.44Å; K133-F136 PolarHBondContact O-N 3.22Å; K133-F136 VanDerWaalsContact O-N 3.09Å; K133-F136 VanDerWaalsContact O-O 3.14Å; K133-F139 HydrophobicContact CG-CD1 4.33Å; K133-F139 HydrophobicContact CG-CD2 4.48Å; K133-F139 HydrophobicContact CG-CG 4.24Å; K133-I168 HydrophobicContact CB-CD1 3.75Å; K133-I168 HydrophobicContact CD-CD1 4.05Å; K133-I168 HydrophobicContact CG-CD1 4.42Å; K133-V174 HydrophobicContact CD-CG2 4.36Å
134M95Very high94Very high59 Ų5940 Ų4029%0.29120%0.204SC..Hα-helixtrans-68.6-14.9-179.5-66.2-59.68900114N130 Q131 F132 F136 I168 D169 H172N130-M134 VanDerWaalsContact O-CG 3.24Å; N130-M134 WeakPolarHBondContact O-CG 3.5Å; N130-M134 PolarHBondContact O-N 3.18Å; Q131-M134 PolarHBondContact O-N 3.12Å; F132-M134 VanDerWaalsContact C-N 3.29Å; F132-M134 PolarHBondContact O-N 2.93Å; M134-F136 PolarHBondContact O-N 3Å; M134-I168 HydrophobicContact CE-CB 3.97Å; M134-I168 HydrophobicContact CE-CD1 3.43Å; M134-I168 VanDerWaalsContact CE-CD1 3.43Å; M134-I168 HydrophobicContact CE-CG1 4.32Å; M134-I168 HydrophobicContact CE-CG2 3.66Å; M134-D169 VanDerWaalsContact SD-OD2 3.36Å; M134-H172 HydrophobicContact CE-CB 3.51Å; M134-H172 VanDerWaalsContact CE-CG 3.46Å; M134-H172 PolarHBondContact O-NE2 2.82Å; M134-H172 HydrophobicContact SD-CB 4.34Å; M134-H172 PolarHBondContact SD-ND1 2.93Å
135Y96.8Very high93.7Very high47 Ų4741.4 Ų41.418%0.18422%0.22CC..THydrogen-bonded Turntrans-67.3-20.3170.7-56.6-32.5000112.8L44 I73 N75 D86 H88 Q131 F132 K133L44-Y135 HydrophobicContact CD1-CD2 4.18Å; L44-Y135 HydrophobicContact CD1-CG 4.16Å; I73-Y135 HydrophobicContact CG2-CD2 4.48Å; N75-Y135 HydrophobicContact CB-CD1 4.5Å; N75-Y135 HydrophobicContact CB-CE1 3.94Å; N75-Y135 HydrophobicContact CB-CE2 3.98Å; D86-Y135 WeakPolarHBondContact CB-OH 3.34Å; H88-Y135 AromaticContact CD2-CE2 3.68Å; H88-Y135 AromaticContact CE1-CE2 3.83Å; H88-Y135 AromaticContact NE2-CE2 3.24Å; H88-Y135 WeakPolarHBondContact NE2-CE2 3.45Å; H88-Y135 AromaticContact NE2-CZ 3.55Å; H88-Y135 PolarHBondContact NE2-OH 3.09Å; Q131-Y135 HydrophobicContact CG-CE1 4.19Å; Q131-Y135 WeakPolarHBondContact CG-OH 3.34Å; Q131-Y135 PolarHBondContact NE2-OH 3.45Å; F132-Y135 HydrophobicContact CD2-CD2 4.3Å; F132-Y135 HydrophobicContact CD2-CE2 4.44Å; F132-Y135 WeakPolarHBondContact O-CD2 3.29Å; F132-Y135 PolarHBondContact O-N 2.96Å; K133-Y135 PolarHBondContact O-N 3.44Å
136F96.1Very high93.2Very high7 Ų743.9 Ų43.93%0.03123%0.229CC..  trans-120.1113.8-173.4-47.3-74.7000110.6L44 V46 F62 F65 I73 F132 K133 M134 R138 F139 H172L44-F136 HydrophobicContact CD2-CD1 4.12Å; L44-F136 HydrophobicContact CD2-CE1 3.61Å; L44-F136 HydrophobicContact CD2-CZ 4.24Å; V46-F136 HydrophobicContact CG2-CE1 4.28Å; F62-F136 HydrophobicContact CB-CD1 4.31Å; F62-F136 HydrophobicContact CB-CE1 4.36Å; F65-F136 HydrophobicContact CE2-CD2 4.3Å; F65-F136 AromaticContact CE2-CE2 3.89Å; F65-F136 HydrophobicContact CE2-CE2 3.89Å; F65-F136 HydrophobicContact CE2-CZ 4.02Å; F65-F136 HydrophobicContact CZ-CE1 4.33Å; F65-F136 AromaticContact CZ-CE2 3.82Å; F65-F136 HydrophobicContact CZ-CE2 3.82Å; F65-F136 AromaticContact CZ-CZ 3.63Å; F65-F136 HydrophobicContact CZ-CZ 3.63Å; I73-F136 HydrophobicContact CG1-CZ 4.39Å; I73-F136 HydrophobicContact CG2-CZ 4.28Å; F132-F136 HydrophobicContact CD2-CE2 4.41Å; F132-F136 HydrophobicContact CE1-CE2 4.29Å; F132-F136 HydrophobicContact CE2-CE2 4.05Å; F132-F136 HydrophobicContact CE2-CZ 4.48Å; F132-F136 AromaticContact CZ-CE2 4Å; F132-F136 HydrophobicContact CZ-CE2 4Å; F132-F136 WeakPolarHBondContact O-CD2 3.35Å; F132-F136 WeakPolarHBondContact O-CE2 3.32Å; K133-F136 PolarHBondContact O-N 3.22Å; K133-F136 VanDerWaalsContact O-N 3.09Å; K133-F136 VanDerWaalsContact O-O 3.14Å; M134-F136 PolarHBondContact O-N 3Å; F136-R138 PolarHBondContact O-N 3.35Å; F136-F139 HydrophobicContact CB-CB 4.44Å; F136-F139 AromaticContact CD2-CD2 3.8Å; F136-F139 HydrophobicContact CD2-CD2 3.8Å; F136-F139 HydrophobicContact CD2-CE2 4.48Å; F136-F139 HydrophobicContact CE2-CD2 4.34Å; F136-H172 PolarHBondContact O-CD2 2.98Å
137K92.7Very high92.1Very high166 Ų16647.5 Ų47.572%0.72224%0.237SC*.SBendtrans-50.6-30.1169.8-70.7-174.91781800112.9V173K137-V173 PolarHBondContact O-N 3.35Å
138R93.7Very high90.2Very high94 Ų9448.1 Ų48.136%0.35525%0.245SC..EExtended strand (participates in β ladder)trans-134105.1175.2-61.4176.9-179.7138.3-2108.5F136 V173F136-R138 PolarHBondContact O-N 3.35Å; R138-V173 HydrophobicContact CB-CG2 4.25Å; R138-V173 HydrophobicContact CG-CG2 3.81Å
139F96.9Very high87.6Confident0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-93.3119.9172.9-177.3-96.3000109.3G63 F65 E128 F132 K133 F136 V173 V174 L175G63-F139 CarbonylContact O-C 3.56Å; F65-F139 AromaticContact CD2-CD2 3.98Å; F65-F139 HydrophobicContact CD2-CD2 3.98Å; F65-F139 AromaticContact CD2-CE2 3.37Å; F65-F139 HydrophobicContact CD2-CE2 3.37Å; F65-F139 AromaticContact CD2-CZ 3.95Å; F65-F139 HydrophobicContact CD2-CZ 3.95Å; F65-F139 AromaticContact CE2-CD2 3.74Å; F65-F139 HydrophobicContact CE2-CD2 3.74Å; F65-F139 AromaticContact CE2-CE2 3.31Å; F65-F139 HydrophobicContact CE2-CE2 3.31Å; F65-F139 HydrophobicContact CE2-CZ 4.3Å; F65-F139 HydrophobicContact CG-CE2 4.37Å; F65-F139 HydrophobicContact CZ-CE2 4.27Å; E128-F139 HydrophobicContact CG-CZ 4.08Å; E128-F139 WeakPolarHBondContact OE1-CE1 3.26Å; E128-F139 VanDerWaalsContact OE1-CZ 3.28Å; E128-F139 WeakPolarHBondContact OE1-CZ 3.23Å; F132-F139 HydrophobicContact CD1-CE2 4.04Å; F132-F139 HydrophobicContact CE1-CD2 4.33Å; F132-F139 AromaticContact CE1-CE2 3.41Å; F132-F139 HydrophobicContact CE1-CE2 3.41Å; F132-F139 VanDerWaalsContact CE1-CE2 3.41Å; F132-F139 AromaticContact CE1-CZ 3.97Å; F132-F139 HydrophobicContact CE1-CZ 3.97Å; F132-F139 HydrophobicContact CZ-CE2 4.28Å; K133-F139 HydrophobicContact CG-CD1 4.33Å; K133-F139 HydrophobicContact CG-CD2 4.48Å; K133-F139 HydrophobicContact CG-CG 4.24Å; F136-F139 HydrophobicContact CB-CB 4.44Å; F136-F139 AromaticContact CD2-CD2 3.8Å; F136-F139 HydrophobicContact CD2-CD2 3.8Å; F136-F139 HydrophobicContact CD2-CE2 4.48Å; F136-F139 HydrophobicContact CE2-CD2 4.34Å; F139-V173 PolarHBondContact N-O 3.3Å; F139-V174 HydrophobicContact CB-CG2 4.27Å; F139-V174 HydrophobicContact CD1-CG1 4.24Å; F139-V174 HydrophobicContact CD1-CG2 4.27Å; F139-V174 CarbonylContact O-C 3.56Å; F139-V174 VanDerWaalsContact O-CA 3.26Å; F139-V174 WeakPolarHBondContact O-CA 3.4Å; F139-L175 PolarHBondContact O-N 3.5Å
140K95.9Very high84.9Confident32 Ų3260.6 Ų60.614%0.13932%0.322CS..EExtended strand (participates in β ladder)trans-126.5129.8-175.1-54.7-179.6-75.1164.40110G63 T64 F65 L175 Y218G63-K140 PolarHBondContact O-N 3.22Å; T64-K140 WeakPolarHBondContact OG1-CE 3Å; T64-K140 PolarHBondContact OG1-NZ 2.86Å; F65-K140 PolarHBondContact N-O 2.63Å; K140-L175 CarbonylContact C-O 3.54Å; K140-L175 WeakPolarHBondContact CA-O 3.37Å; K140-L175 HydrophobicContact CB-CB 4.43Å; K140-L175 HydrophobicContact CD-CD2 4.25Å; K140-L175 HydrophobicContact CG-CB 4.01Å; K140-L175 HydrophobicContact CG-CD2 4.29Å; K140-Y218 HydrophobicContact CD-CE2 4.12Å
141T95.6Very high82.4Confident5 Ų561.2 Ų61.23%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-117121.9168.2-46.80000109.5F65 W90 D125 L175 R176 E177F65-T141 CarbonylContact O-C 3.5Å; F65-T141 WeakPolarHBondContact O-CA 3.36Å; W90-T141 HydrophobicContact CH2-CG2 3.99Å; W90-T141 HydrophobicContact CZ2-CG2 3.95Å; D125-T141 VanDerWaalsContact OD1-CG2 3.29Å; D125-T141 WeakPolarHBondContact OD1-CG2 3.33Å; D125-T141 WeakPolarHBondContact OD2-CG2 3.26Å; T141-L175 PolarHBondContact N-O 3.05Å; T141-R176 WeakPolarHBondContact O-CA 3.25Å; T141-R176 PolarHBondContact OG1-NH1 3.46Å; T141-R176 VanDerWaalsContact OG1-NH1 3.11Å; T141-E177 PolarHBondContact O-N 3.36Å
142L93.6Very high79.8Confident15 Ų1568.1 Ų68.18%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-113.7153.7-179-58.4178.9000110.7T64 F65 Y66 S67 L163T64-L142 HydrophobicContact CG2-CD1 3.92Å; F65-L142 PolarHBondContact O-N 2.81Å; Y66-L142 CarbonylContact C-O 3.54Å; Y66-L142 WeakPolarHBondContact CA-O 3.48Å; Y66-L142 HydrophobicContact CD1-CB 3.91Å; Y66-L142 HydrophobicContact CE1-CB 3.97Å; Y66-L142 HydrophobicContact CE1-CD1 4.06Å; S67-L142 PolarHBondContact N-O 2.84Å; S67-L142 PolarHBondContact OG-O 3.3Å; L142-L163 HydrophobicContact CD2-CD2 4.14Å
143E91.3Very high77.2Confident70 Ų7071.6 Ų71.633%0.32738%0.377SS..SBendtrans-73.1152.9168.7-67-157.514300111.9K94 K159 E177K94-E143 IonicContact NZ-OE1 2.61Å; K94-E143 PolarHBondContact NZ-OE1 2.77Å; K94-E143 IonicContact NZ-OE2 3.84Å; E143-K159 IonicContact OE2-NZ 3.9Å; E143-K159 PolarHBondContact OE2-NZ 2.9Å; E143-E177 HydrophobicContact CB-CG 4.43Å; E143-E177 WeakPolarHBondContact CB-OE1 3.4Å; E143-E177 HydrophobicContact CG-CB 4.24Å; E143-E177 HydrophobicContact CG-CG 3.89Å; E143-E177 WeakPolarHBondContact CG-OE1 3.46Å; E143-E177 PolarHBondContact N-OE2 2.94Å
144G88.5Confident74.7Confident44 Ų4478.7 Ų78.745%0.45441%0.408SS..  trans108.8-162.5-178.900000111.1G68G68-G144 WeakPolarHBondContact CA-O 3.35Å; G68-G144 PolarHBondContact N-O 2.6Å
145G87.5Confident72.5Confident31 Ų3181.2 Ų81.232%0.3243%0.431SS..  trans159.9-173.8-172.400000110.1D69D69-G145 VanDerWaalsContact OD1-C 3.31Å; D69-G145 WeakPolarHBondContact OD1-CA 3.11Å; D69-G145 WeakPolarHBondContact OD2-CA 3.26Å
146Y85Confident70.4Confident55 Ų5586.5 Ų86.522%0.21646%0.462CS..SBendtrans-60.1147.9163.2-72.5-60.4000109.7R48 I49 N50 E55 D69 S148R48-Y146 VanDerWaalsContact CD-CE2 3.41Å; R48-Y146 HydrophobicContact CG-CD2 4.47Å; R48-Y146 HydrophobicContact CG-CE2 3.69Å; R48-Y146 VanDerWaalsContact CZ-CE2 3.45Å; R48-Y146 PolarHBondContact NH1-OH 3.26Å; I49-Y146 VanDerWaalsContact O-CD2 3.32Å; I49-Y146 WeakPolarHBondContact O-CD2 3.43Å; I49-Y146 WeakPolarHBondContact O-CE2 3.47Å; N50-Y146 HydrophobicContact CB-CD2 3.7Å; N50-Y146 HydrophobicContact CB-CE1 4.46Å; N50-Y146 HydrophobicContact CB-CE2 3.4Å; N50-Y146 HydrophobicContact CB-CG 4.36Å; N50-Y146 VanDerWaalsContact ND2-CE1 3.3Å; N50-Y146 WeakPolarHBondContact ND2-CE1 3.04Å; E55-Y146 PolarHBondContact OE1-OH 3.46Å; E55-Y146 PolarHBondContact OE2-OH 2.72Å; D69-Y146 PolarHBondContact OD1-N 3.24Å; Y146-S148 PolarHBondContact O-N 3.12Å
147E68.5Low68.9Low107 Ų10794.3 Ų94.350%0.550%0.499SS..  trans-62.6108.9175.4-65.2-16915500108.9N151 R152 A153E147-N151 WeakPolarHBondContact CG-O 3.4Å; E147-R152 VanDerWaalsContact OE1-CA 3.3Å; E147-R152 WeakPolarHBondContact OE1-CA 3.44Å; E147-A153 PolarHBondContact OE1-N 2.89Å
148S51.1Low68.3Low46 Ų4690.8 Ų90.832%0.32248%0.484SS..  trans-63.1150.815575.40000107.5Y146 F150 N151Y146-S148 PolarHBondContact O-N 3.12Å; S148-F150 PolarHBondContact O-N 2.99Å; S148-N151 PolarHBondContact O-N 2.93Å
149G39.1Very low67.8Low85 Ų8592 Ų9288%0.87649%0.492SS*.THydrogen-bonded Turntrans-56.63-177.200000116.2
150F37.8Very low67.6Low192 Ų19295 Ų9584%0.84251%0.51SS*.THydrogen-bonded Turntrans-115.9-8.1-179.1-68-80.2000115.4S148S148-F150 PolarHBondContact O-N 2.99Å
151N39.5Very low67.5Low120 Ų12095.6 Ų95.664%0.64251%0.511SS*.  trans-132.892.5180-77-37.4000112E147 S148 A153E147-N151 WeakPolarHBondContact CG-O 3.4Å; S148-N151 PolarHBondContact O-N 2.93Å; N151-A153 PolarHBondContact O-N 2.88Å
152R38.9Very low67.6Low225 Ų22595.3 Ų95.385%0.84951%0.51SS*.  trans-71.9112.3165.8-86.4-179.2174.5172.5-1109.6E147 K154E147-R152 VanDerWaalsContact OE1-CA 3.3Å; E147-R152 WeakPolarHBondContact OE1-CA 3.44Å; R152-K154 PolarHBondContact O-N 2.82Å
153A41.7Very low67.8Low73 Ų7394.6 Ų94.660%0.60351%0.506SS*.  trans-73.9110.4168.200000108E147 N151 S155E147-A153 PolarHBondContact OE1-N 2.89Å; N151-A153 PolarHBondContact O-N 2.88Å; A153-S155 PolarHBondContact O-N 2.89Å
154K43.1Very low68.1Low180 Ų18092.9 Ų92.978%0.78350%0.498SS*.  trans-61.9103.1168.5-72.3-176.6179.9177.60107.9R152 N156R152-K154 PolarHBondContact O-N 2.82Å; K154-N156 PolarHBondContact O-N 2.78Å
155S48.4Very low68.5Low112 Ų11291 Ų9178%0.78348%0.477SS*.THydrogen-bonded Turntrans-72.718.1-159.188.10000117A153A153-S155 PolarHBondContact O-N 2.89Å
156N53.4Low68.8Low157 Ų15795 Ų9584%0.8448%0.483SS*.THydrogen-bonded Turntrans-132.1-4-174.9-87.4-3.5000115.9K154K154-N156 PolarHBondContact O-N 2.78Å
157E65.1Low69.1Low172 Ų17294.9 Ų94.980%0.80449%0.486SS*.SBendtrans-96.3124175.1-80.8-179.2168.200110.6K159E157-K159 PolarHBondContact O-N 3.42Å
158F78.9Confident70.1Confident92 Ų9292.2 Ų92.240%0.40448%0.475SS..PPolyproline II helixtrans-64.9122.6172.6177.1-89.4000109.2D194 G196F158-D194 VanDerWaalsContact CE1-O 3.24Å; F158-D194 WeakPolarHBondContact CE1-O 3.42Å; F158-D194 HydrophobicContact CZ-CB 4.29Å; F158-D194 VanDerWaalsContact CZ-CG 3.48Å; F158-D194 WeakPolarHBondContact CZ-O 3.34Å; F158-D194 WeakPolarHBondContact CZ-OD1 3.37Å; F158-G196 VanDerWaalsContact CZ-CA 3.5Å
159K84.3Confident72Confident118 Ų11892.5 Ų92.551%0.51347%0.473SS..PPolyproline II helixtrans-90.2119.4176-173.2-172.7171.2-154.10109.7E143 E157 R161 E177E143-K159 IonicContact OE2-NZ 3.9Å; E143-K159 PolarHBondContact OE2-NZ 2.9Å; E157-K159 PolarHBondContact O-N 3.42Å; K159-R161 PolarHBondContact O-N 2.78Å; K159-E177 IonicContact NZ-OE1 3.7Å
160T92.2Very high74.4Confident63 Ų6393.3 Ų93.339%0.38747%0.465SS..PPolyproline II helixtrans-55.7132.7168.8-65.20000110.5L193 D194 L195T160-L193 HydrophobicContact CG2-CD1 3.99Å; T160-D194 WeakPolarHBondContact CA-O 3.47Å; T160-L195 HydrophobicContact CG2-CD2 3.55Å
161R94.9Very high76.9Confident45 Ų4586.9 Ų86.917%0.1744%0.443CS..EExtended strand (participates in β ladder)trans-141.5147.1178.761.5-172.4178.8174.50.3111.3K159 L163 E177 C180 D194K159-R161 PolarHBondContact O-N 2.78Å; R161-L163 HydrophobicContact CG-CD2 4.21Å; R161-L163 HydrophobicContact CG-CG 4.49Å; R161-E177 HydrophobicContact CB-CG 4.1Å; R161-C180 VanDerWaalsContact C-SG 3.52Å; R161-C180 VanDerWaalsContact CA-SG 3.51Å; R161-D194 HydrophobicContact CG-CB 3.81Å; R161-D194 IonicContact CZ-OD2 2.84Å; R161-D194 PolarHBondContact N-O 2.9Å; R161-D194 IonicContact NE-OD2 3.28Å; R161-D194 PolarHBondContact NE-OD2 2.99Å; R161-D194 IonicContact NH2-OD2 3.46Å; R161-D194 PolarHBondContact NH2-OD2 2.79Å; R161-D194 PolarHBondContact O-N 3.38Å
162L97.3Very high79.4Confident0 Ų082.5 Ų82.50%042%0.419CS..EExtended strand (participates in β ladder)trans-109.1127.2171.6-176.363.9000107.5E177 V178 P179 C180 L185 F191 I192 L193 L251L162-E177 WeakPolarHBondContact O-CA 3.47Å; L162-V178 HydrophobicContact CB-CG2 4.08Å; L162-V178 HydrophobicContact CD2-CG2 3.89Å; L162-V178 HydrophobicContact CG-CG2 3.75Å; L162-V178 WeakPolarHBondContact O-CG2 3Å; L162-V178 PolarHBondContact O-N 2.83Å; L162-P179 WeakPolarHBondContact CD2-O 3.17Å; L162-C180 PolarHBondContact N-SG 3.19Å; L162-L185 HydrophobicContact CD1-CD2 4.38Å; L162-L185 HydrophobicContact CD2-CD2 4.2Å; L162-F191 HydrophobicContact CD1-CB 4.14Å; L162-F191 HydrophobicContact CD1-CD1 4.44Å; L162-F191 HydrophobicContact CD2-CD1 4.4Å; L162-F191 HydrophobicContact CG-CD1 4.34Å; L162-I192 CarbonylContact C-O 3.55Å; L162-I192 WeakPolarHBondContact CA-O 3.29Å; L162-L193 HydrophobicContact CD1-CB 4.1Å; L162-L251 HydrophobicContact CD1-CD2 4.46Å; L162-L251 HydrophobicContact CD2-CD2 4.22Å
163L97.1Very high82.1Confident0 Ų072.1 Ų72.10%038%0.381CS..EExtended strand (participates in β ladder)trans-113.3124.8179.4-45.6173.2000109.1L142 R161 L175 R176 E177 F191 I192 Y218L142-L163 HydrophobicContact CD2-CD2 4.14Å; R161-L163 HydrophobicContact CG-CD2 4.21Å; R161-L163 HydrophobicContact CG-CG 4.49Å; L163-L175 HydrophobicContact CB-CD1 3.49Å; L163-L175 VanDerWaalsContact CB-CD1 3.49Å; L163-L175 HydrophobicContact CB-CG 4Å; L163-L175 HydrophobicContact CD1-CD1 4.35Å; L163-L175 HydrophobicContact CD1-CD2 3.95Å; L163-L175 HydrophobicContact CD1-CG 4.28Å; L163-R176 CarbonylContact C-O 3.51Å; L163-R176 VanDerWaalsContact CA-O 3.26Å; L163-R176 WeakPolarHBondContact CA-O 3.16Å; L163-E177 HydrophobicContact CD2-CB 3.89Å; L163-E177 HydrophobicContact CD2-CG 4.12Å; L163-F191 CarbonylContact O-C 3.55Å; L163-F191 WeakPolarHBondContact O-CA 3.3Å; L163-I192 HydrophobicContact CB-CB 4.16Å; L163-I192 HydrophobicContact CD1-CB 4.48Å; L163-I192 HydrophobicContact CD1-CG2 4.31Å; L163-I192 PolarHBondContact N-O 2.72Å; L163-I192 PolarHBondContact O-N 3.38Å; L163-Y218 HydrophobicContact CD1-CE1 4.13Å
164H97.1Very high84.6Confident34 Ų3469 Ų6916%0.15735%0.354CS..EExtended strand (participates in β ladder)trans-85.2113.3169.8177.2-152.6000108.7L175 R176 V178 D189 F191H164-L175 CarbonylContact O-C 3.58Å; H164-L175 VanDerWaalsContact O-CA 3.29Å; H164-L175 WeakPolarHBondContact O-CA 3.45Å; H164-R176 PolarHBondContact N-O 3.06Å; H164-R176 PolarHBondContact O-N 3.33Å; H164-V178 HydrophobicContact CB-CG1 3.65Å; H164-V178 HydrophobicContact CB-CG2 4.14Å; H164-D189 IonicContact CD2-OD2 3.58Å; H164-D189 IonicContact CE1-OD2 3.44Å; H164-D189 PolarHBondContact CE1-OD2 2.92Å; H164-D189 VanDerWaalsContact NE2-CB 3.32Å; H164-D189 WeakPolarHBondContact NE2-CB 3.42Å; H164-D189 IonicContact NE2-OD2 2.63Å; H164-D189 PolarHBondContact NE2-OD2 2.96Å; H164-F191 HydrophobicContact CB-CD1 4.16Å; H164-F191 HydrophobicContact CB-CE1 3.78Å; H164-F191 HydrophobicContact CB-CZ 4.49Å; H164-F191 AromaticContact CD2-CE1 3.67Å; H164-F191 AromaticContact CD2-CZ 3.52Å; H164-F191 AromaticContact CG-CE1 3.86Å
165F97.3Very high87.2Confident4 Ų460.6 Ų60.62%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-101.7133.3178.5-165.7-70.4000107.8V173 V174 L175 V190 I192 E211 K214 Y218F165-V173 HydrophobicContact CE1-CB 3.86Å; F165-V173 HydrophobicContact CE1-CG1 3.77Å; F165-V173 HydrophobicContact CE1-CG2 4.39Å; F165-V173 HydrophobicContact CE2-CG2 4.45Å; F165-V173 HydrophobicContact CZ-CB 3.77Å; F165-V173 HydrophobicContact CZ-CG1 3.89Å; F165-V173 HydrophobicContact CZ-CG2 3.78Å; F165-V174 WeakPolarHBondContact CA-O 3.4Å; F165-L175 HydrophobicContact CB-CD1 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.49Å; F165-L175 HydrophobicContact CG-CD1 4.05Å; F165-V190 WeakPolarHBondContact CA-O 3.37Å; F165-V190 HydrophobicContact CB-CB 4.22Å; F165-V190 HydrophobicContact CB-CG1 4.45Å; F165-V190 WeakPolarHBondContact CB-O 3.43Å; F165-V190 PolarHBondContact N-O 3.14Å; F165-V190 PolarHBondContact O-N 2.7Å; F165-I192 HydrophobicContact CD2-CD1 4.12Å; F165-E211 HydrophobicContact CD1-CG 3.83Å; F165-E211 HydrophobicContact CE1-CG 4.25Å; F165-K214 HydrophobicContact CE1-CB 3.87Å; F165-K214 VanDerWaalsContact CZ-C 3.47Å; F165-K214 HydrophobicContact CZ-CB 3.64Å; F165-Y218 HydrophobicContact CE2-CG 4.49Å
166R94.5Very high89.4Confident115 Ų11557.3 Ų57.343%0.43429%0.288SS..EExtended strand (participates in β ladder)trans-150.1153173.858.7172-79.2170.5-1.7111V173 V174R166-V173 CarbonylContact O-C 3.51Å; R166-V173 WeakPolarHBondContact O-CA 3.46Å; R166-V174 HydrophobicContact CG-CB 3.95Å; R166-V174 HydrophobicContact CG-CG1 4.43Å; R166-V174 PolarHBondContact N-O 2.67Å; R166-V174 PolarHBondContact O-N 2.88Å
167D91.3Very high91.4Very high52 Ų5251.4 Ų51.428%0.27826%0.256SS..EExtended strand (participates in β ladder)trans-83.1154.8167.759.1-26.6000112V173 Y210D167-V173 HydrophobicContact CB-CG1 4.42Å; D167-Y210 HydrophobicContact CB-CD1 3.96Å; D167-Y210 HydrophobicContact CB-CE1 4.25Å
168I90Very high92.8Very high51 Ų5144.7 Ų44.726%0.26223%0.226SC..SBendtrans-101.3-46.9165.5-57.1173.7000108.6K133 M134 H172 V174K133-I168 HydrophobicContact CB-CD1 3.75Å; K133-I168 HydrophobicContact CD-CD1 4.05Å; K133-I168 HydrophobicContact CG-CD1 4.42Å; M134-I168 HydrophobicContact CE-CB 3.97Å; M134-I168 HydrophobicContact CE-CD1 3.43Å; M134-I168 VanDerWaalsContact CE-CD1 3.43Å; M134-I168 HydrophobicContact CE-CG1 4.32Å; M134-I168 HydrophobicContact CE-CG2 3.66Å; I168-H172 HydrophobicContact CB-CB 4.24Å; I168-H172 HydrophobicContact CD1-CB 4.32Å; I168-H172 PolarHBondContact N-O 3.37Å; I168-V174 HydrophobicContact CD1-CG2 3.48Å; I168-V174 VanDerWaalsContact CD1-CG2 3.48Å; I168-V174 HydrophobicContact CG1-CG2 3.64Å
169D90.9Very high93.5Very high53 Ų5343.6 Ų43.628%0.28323%0.229SC..SBendtrans-147.9-170.8177.566.137.2000109.9M134 S171 H172 Y210M134-D169 VanDerWaalsContact SD-OD2 3.36Å; D169-S171 PolarHBondContact O-N 3.42Å; D169-S171 VanDerWaalsContact OD1-CA 3.3Å; D169-S171 WeakPolarHBondContact OD1-CA 3.39Å; D169-S171 PolarHBondContact OD1-N 3.07Å; D169-S171 PolarHBondContact OD1-OG 3.07Å; D169-H172 VanDerWaalsContact CG-ND1 3.34Å; D169-H172 IonicContact OD1-CG 3.87Å; D169-H172 PolarHBondContact OD1-N 2.79Å; D169-H172 IonicContact OD1-ND1 2.6Å; D169-H172 PolarHBondContact OD1-ND1 3.12Å; D169-H172 IonicContact OD2-CE1 3.76Å; D169-H172 IonicContact OD2-CG 2.72Å; D169-H172 IonicContact OD2-ND1 3.67Å; D169-H172 PolarHBondContact OD2-ND1 2.83Å; D169-Y210 WeakPolarHBondContact O-CE1 3.49Å
170S88.1Confident94Very high102 Ų10239.8 Ų39.871%0.71322%0.216SC*.SBendtrans-67.72.2-178.959.30000115.7Y210S170-Y210 VanDerWaalsContact C-CZ 3.45Å; S170-Y210 WeakPolarHBondContact O-CE2 3.45Å; S170-Y210 PolarHBondContact O-OH 3.05Å
171S90Very high94.2Very high56 Ų5636.8 Ų36.839%0.39220%0.198SC..SBendtrans-138.7-20.9-174.863.30000114.7D169 Y210D169-S171 PolarHBondContact O-N 3.42Å; D169-S171 VanDerWaalsContact OD1-CA 3.3Å; D169-S171 WeakPolarHBondContact OD1-CA 3.39Å; D169-S171 PolarHBondContact OD1-N 3.07Å; D169-S171 PolarHBondContact OD1-OG 3.07Å; S171-Y210 VanDerWaalsContact CA-OH 3.28Å; S171-Y210 WeakPolarHBondContact CA-OH 3.22Å; S171-Y210 PolarHBondContact N-OH 2.68Å
172H93.5Very high94.2Very high28 Ų2838.5 Ų38.513%0.1321%0.206CC..  trans-116.8138.1-176.9-59.194.9000112.5M134 F136 I168 D169M134-H172 HydrophobicContact CE-CB 3.51Å; M134-H172 VanDerWaalsContact CE-CG 3.46Å; M134-H172 PolarHBondContact O-NE2 2.82Å; M134-H172 HydrophobicContact SD-CB 4.34Å; M134-H172 PolarHBondContact SD-ND1 2.93Å; F136-H172 PolarHBondContact O-CD2 2.98Å; I168-H172 HydrophobicContact CB-CB 4.24Å; I168-H172 HydrophobicContact CD1-CB 4.32Å; I168-H172 PolarHBondContact N-O 3.37Å; D169-H172 VanDerWaalsContact CG-ND1 3.34Å; D169-H172 IonicContact OD1-CG 3.87Å; D169-H172 PolarHBondContact OD1-N 2.79Å; D169-H172 IonicContact OD1-ND1 2.6Å; D169-H172 PolarHBondContact OD1-ND1 3.12Å; D169-H172 IonicContact OD2-CE1 3.76Å; D169-H172 IonicContact OD2-CG 2.72Å; D169-H172 IonicContact OD2-ND1 3.67Å; D169-H172 PolarHBondContact OD2-ND1 2.83Å
173V94.5Very high94.1Very high8 Ų842.6 Ų42.65%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-128.3149.4176.7-60.80000111.6K137 R138 F139 F165 R166 D167 Y210 K214K137-V173 PolarHBondContact O-N 3.35Å; R138-V173 HydrophobicContact CB-CG2 4.25Å; R138-V173 HydrophobicContact CG-CG2 3.81Å; F139-V173 PolarHBondContact N-O 3.3Å; F165-V173 HydrophobicContact CE1-CB 3.86Å; F165-V173 HydrophobicContact CE1-CG1 3.77Å; F165-V173 HydrophobicContact CE1-CG2 4.39Å; F165-V173 HydrophobicContact CE2-CG2 4.45Å; F165-V173 HydrophobicContact CZ-CB 3.77Å; F165-V173 HydrophobicContact CZ-CG1 3.89Å; F165-V173 HydrophobicContact CZ-CG2 3.78Å; R166-V173 CarbonylContact O-C 3.51Å; R166-V173 WeakPolarHBondContact O-CA 3.46Å; D167-V173 HydrophobicContact CB-CG1 4.42Å; V173-Y210 HydrophobicContact CG1-CE1 4.2Å; V173-K214 HydrophobicContact CG1-CB 3.95Å; V173-K214 HydrophobicContact CG1-CG 4.05Å
174V95.7Very high94Very high7 Ų743.3 Ų43.34%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-113.6137.3173.41730000109.2K133 F139 F165 R166 I168 R176K133-V174 HydrophobicContact CD-CG2 4.36Å; F139-V174 HydrophobicContact CB-CG2 4.27Å; F139-V174 HydrophobicContact CD1-CG1 4.24Å; F139-V174 HydrophobicContact CD1-CG2 4.27Å; F139-V174 CarbonylContact O-C 3.56Å; F139-V174 VanDerWaalsContact O-CA 3.26Å; F139-V174 WeakPolarHBondContact O-CA 3.4Å; F165-V174 WeakPolarHBondContact CA-O 3.4Å; R166-V174 HydrophobicContact CG-CB 3.95Å; R166-V174 HydrophobicContact CG-CG1 4.43Å; R166-V174 PolarHBondContact N-O 2.67Å; R166-V174 PolarHBondContact O-N 2.88Å; I168-V174 HydrophobicContact CD1-CG2 3.48Å; I168-V174 VanDerWaalsContact CD1-CG2 3.48Å; I168-V174 HydrophobicContact CG1-CG2 3.64Å; V174-R176 HydrophobicContact CG1-CG 3.92Å
175L96.2Very high94Very high3 Ų343.2 Ų43.22%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-129.8120.5173-171.862.3000109.1F139 K140 T141 L163 H164 F165 Y218F139-L175 PolarHBondContact O-N 3.5Å; K140-L175 CarbonylContact C-O 3.54Å; K140-L175 WeakPolarHBondContact CA-O 3.37Å; K140-L175 HydrophobicContact CB-CB 4.43Å; K140-L175 HydrophobicContact CD-CD2 4.25Å; K140-L175 HydrophobicContact CG-CB 4.01Å; K140-L175 HydrophobicContact CG-CD2 4.29Å; T141-L175 PolarHBondContact N-O 3.05Å; L163-L175 HydrophobicContact CB-CD1 3.49Å; L163-L175 VanDerWaalsContact CB-CD1 3.49Å; L163-L175 HydrophobicContact CB-CG 4Å; L163-L175 HydrophobicContact CD1-CD1 4.35Å; L163-L175 HydrophobicContact CD1-CD2 3.95Å; L163-L175 HydrophobicContact CD1-CG 4.28Å; H164-L175 CarbonylContact O-C 3.58Å; H164-L175 VanDerWaalsContact O-CA 3.29Å; H164-L175 WeakPolarHBondContact O-CA 3.45Å; F165-L175 HydrophobicContact CB-CD1 3.72Å; F165-L175 HydrophobicContact CD2-CD1 3.59Å; F165-L175 HydrophobicContact CD2-CG 4.49Å; F165-L175 HydrophobicContact CG-CD1 4.05Å; L175-Y218 HydrophobicContact CD2-CD1 4.35Å; L175-Y218 HydrophobicContact CD2-CD2 3.94Å; L175-Y218 HydrophobicContact CD2-CE1 3.88Å; L175-Y218 HydrophobicContact CD2-CE2 3.41Å; L175-Y218 VanDerWaalsContact CD2-CE2 3.41Å; L175-Y218 HydrophobicContact CD2-CG 4.38Å
176R95.5Very high93.9Very high44 Ų4445.4 Ų45.417%0.16624%0.242CC..EExtended strand (participates in β ladder)trans-122.7136.2176.4-64.8-166-168.6-94.5-3.8111.4D125 E128 T141 L163 H164 V174 V178D125-R176 IonicContact OD1-NH1 3.03Å; D125-R176 PolarHBondContact OD1-NH1 3.48Å; E128-R176 IonicContact OE1-CZ 3.7Å; E128-R176 IonicContact OE1-NH1 3.46Å; E128-R176 PolarHBondContact OE1-NH1 2.79Å; E128-R176 IonicContact OE1-NH2 3.17Å; E128-R176 PolarHBondContact OE1-NH2 2.85Å; E128-R176 IonicContact OE2-CZ 3.22Å; E128-R176 IonicContact OE2-NH1 3.75Å; E128-R176 PolarHBondContact OE2-NH1 3.01Å; E128-R176 IonicContact OE2-NH2 2.92Å; E128-R176 PolarHBondContact OE2-NH2 3.49Å; T141-R176 WeakPolarHBondContact O-CA 3.25Å; T141-R176 PolarHBondContact OG1-NH1 3.46Å; T141-R176 VanDerWaalsContact OG1-NH1 3.11Å; L163-R176 CarbonylContact C-O 3.51Å; L163-R176 VanDerWaalsContact CA-O 3.26Å; L163-R176 WeakPolarHBondContact CA-O 3.16Å; H164-R176 PolarHBondContact N-O 3.06Å; H164-R176 PolarHBondContact O-N 3.33Å; V174-R176 HydrophobicContact CG1-CG 3.92Å; R176-V178 PolarHBondContact O-N 3.37Å
177E95.2Very high94Very high33 Ų3341.7 Ų41.715%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-66.6123.2163.6-166.7168.2155.900109.1T141 E143 K159 R161 L162 L163T141-E177 PolarHBondContact O-N 3.36Å; E143-E177 HydrophobicContact CB-CG 4.43Å; E143-E177 WeakPolarHBondContact CB-OE1 3.4Å; E143-E177 HydrophobicContact CG-CB 4.24Å; E143-E177 HydrophobicContact CG-CG 3.89Å; E143-E177 WeakPolarHBondContact CG-OE1 3.46Å; E143-E177 PolarHBondContact N-OE2 2.94Å; K159-E177 IonicContact NZ-OE1 3.7Å; R161-E177 HydrophobicContact CB-CG 4.1Å; L162-E177 WeakPolarHBondContact O-CA 3.47Å; L163-E177 HydrophobicContact CD2-CB 3.89Å; L163-E177 HydrophobicContact CD2-CG 4.12Å
178V94Very high94.2Very high30 Ų3043.2 Ų43.218%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-118.4162.6179.4-66.70000109.1L162 H164 R176 C180 F191L162-V178 HydrophobicContact CB-CG2 4.08Å; L162-V178 HydrophobicContact CD2-CG2 3.89Å; L162-V178 HydrophobicContact CG-CG2 3.75Å; L162-V178 WeakPolarHBondContact O-CG2 3Å; L162-V178 PolarHBondContact O-N 2.83Å; H164-V178 HydrophobicContact CB-CG1 3.65Å; H164-V178 HydrophobicContact CB-CG2 4.14Å; R176-V178 PolarHBondContact O-N 3.37Å; V178-C180 PolarHBondContact O-N 2.94Å; V178-F191 HydrophobicContact CG2-CE1 4.47Å
179P93.7Very high94.5Very high70 Ų7042 Ų4246%0.45524%0.236SC..  trans-51.7134.2176-27.335.7000111.5L162 S181 S184 I256L162-P179 WeakPolarHBondContact CD2-O 3.17Å; P179-S181 VanDerWaalsContact C-N 3.27Å; P179-S181 PolarHBondContact O-N 3.29Å; P179-S184 WeakPolarHBondContact O-CB 3.39Å; P179-S184 PolarHBondContact O-OG 2.89Å; P179-I256 HydrophobicContact CB-CG2 3.76Å; P179-I256 HydrophobicContact CG-CB 4.45Å; P179-I256 HydrophobicContact CG-CG2 4.2Å
180C94.7Very high94.9Very high38 Ų3839.5 Ų39.526%0.25722%0.222SC..SBendtrans-70.685.6173-74.30000109.3R161 L162 V178 P252R161-C180 VanDerWaalsContact C-SG 3.52Å; R161-C180 VanDerWaalsContact CA-SG 3.51Å; L162-C180 PolarHBondContact N-SG 3.19Å; V178-C180 PolarHBondContact O-N 2.94Å; C180-P252 WeakPolarHBondContact O-CD 3.24Å; C180-P252 WeakPolarHBondContact O-CG 3.39Å
181S96.1Very high95.4Very high0 Ų034.7 Ų34.70%019%0.188CC..SBendtrans-147149.7177.8178.30000110.8P179 K183 S184 P252 T254P179-S181 VanDerWaalsContact C-N 3.27Å; P179-S181 PolarHBondContact O-N 3.29Å; S181-K183 PolarHBondContact O-N 3.23Å; S181-K183 PolarHBondContact OG-N 3.39Å; S181-K183 VanDerWaalsContact OG-N 3.11Å; S181-S184 WeakPolarHBondContact O-CB 3.24Å; S181-S184 PolarHBondContact O-N 3.34Å; S181-S184 VanDerWaalsContact O-N 3.1Å; S181-P252 CarbonylContact C-O 3.47Å; S181-P252 VanDerWaalsContact CA-O 3.31Å; S181-P252 WeakPolarHBondContact CA-O 3.24Å; S181-P252 PolarHBondContact OG-O 3Å; S181-T254 PolarHBondContact OG-N 3.26Å; S181-T254 PolarHBondContact OG-O 3.43Å
182K95.7Very high95.8Very high80 Ų8032 Ų3235%0.34817%0.17SC..G310 helixtrans-55.3-34.3167.5-67.9-180-177.41740111.7S184 L185 L248 L251 P252 D253K182-S184 PolarHBondContact O-N 3.04Å; K182-L185 WeakPolarHBondContact O-CB 3.42Å; K182-L185 PolarHBondContact O-N 3.09Å; K182-L248 WeakPolarHBondContact CE-O 3.4Å; K182-L251 VanDerWaalsContact CE-O 3.23Å; K182-L251 WeakPolarHBondContact CE-O 3.39Å; K182-L251 HydrophobicContact CG-CB 3.76Å; K182-P252 PolarHBondContact N-O 3.45Å; K182-D253 HydrophobicContact CD-CB 4.18Å
183K95.3Very high96Very high86 Ų8630.7 Ų30.737%0.37416%0.164SC..G310 helixtrans-70.9-12.5-179.5-63.7-172.3170.6-173.10113.8S181 D253 E255 I256S181-K183 PolarHBondContact O-N 3.23Å; S181-K183 PolarHBondContact OG-N 3.39Å; S181-K183 VanDerWaalsContact OG-N 3.11Å; K183-D253 VanDerWaalsContact CE-OD1 3.3Å; K183-D253 WeakPolarHBondContact CE-OD1 3.17Å; K183-E255 WeakPolarHBondContact CD-OE2 3.41Å; K183-E255 IonicContact NZ-OE1 3.53Å; K183-E255 PolarHBondContact NZ-OE1 3.15Å; K183-E255 IonicContact NZ-OE2 3.77Å; K183-E255 PolarHBondContact NZ-OE2 3.25Å; K183-I256 HydrophobicContact CB-CD1 4.28Å; K183-I256 HydrophobicContact CB-CG1 4.07Å; K183-I256 HydrophobicContact CB-CG2 4.39Å; K183-I256 WeakPolarHBondContact O-CD1 3.38Å
184S95.7Very high96Very high16 Ų1630.3 Ų30.311%0.11216%0.161CC..G310 helixtrans-81.3-18.6173.4-65.70000113P179 S181 K182 F191P179-S184 WeakPolarHBondContact O-CB 3.39Å; P179-S184 PolarHBondContact O-OG 2.89Å; S181-S184 WeakPolarHBondContact O-CB 3.24Å; S181-S184 PolarHBondContact O-N 3.34Å; S181-S184 VanDerWaalsContact O-N 3.1Å; K182-S184 PolarHBondContact O-N 3.04Å; S184-F191 WeakPolarHBondContact O-CE1 3.39Å; S184-F191 WeakPolarHBondContact O-CZ 3.38Å
185L96.1Very high96Very high32 Ų3231.8 Ų31.817%0.16817%0.169CC..  trans-72.4143.8177.9-55.8179.7000110.4L162 K182 F191 W202 F247 L248 L251L162-L185 HydrophobicContact CD1-CD2 4.38Å; L162-L185 HydrophobicContact CD2-CD2 4.2Å; K182-L185 WeakPolarHBondContact O-CB 3.42Å; K182-L185 PolarHBondContact O-N 3.09Å; L185-F191 HydrophobicContact CD2-CB 3.63Å; L185-F191 HydrophobicContact CD2-CD1 3.73Å; L185-F191 HydrophobicContact CD2-CD2 3.92Å; L185-F191 HydrophobicContact CD2-CE1 4.37Å; L185-F191 HydrophobicContact CD2-CG 3.46Å; L185-F191 VanDerWaalsContact CD2-CG 3.46Å; L185-W202 HydrophobicContact CB-CH2 4.28Å; L185-W202 HydrophobicContact CB-CZ3 4.37Å; L185-W202 HydrophobicContact CD2-CE3 4.28Å; L185-F247 HydrophobicContact CD1-CE1 3.72Å; L185-F247 HydrophobicContact CD1-CZ 4Å; L185-F247 HydrophobicContact CD2-CZ 4.29Å; L185-L248 HydrophobicContact CD1-CD2 4.23Å; L185-L251 HydrophobicContact CD1-CD1 3.84Å; L185-L251 HydrophobicContact CD2-CD1 4.29Å; L185-L251 HydrophobicContact CG-CD1 4.23Å
186N95.1Very high95.8Very high49 Ų4932.2 Ų32.226%0.26217%0.174SC..  trans-136.1155.8169.975.253.2000109.2D188 D189 F191 W202N186-D188 PolarHBondContact O-N 3.17Å; N186-D188 WeakPolarHBondContact OD1-CA 3.47Å; N186-D188 WeakPolarHBondContact OD1-CB 3.25Å; N186-D188 PolarHBondContact OD1-N 3.31Å; N186-D189 PolarHBondContact ND2-OD2 3.21Å; N186-D189 PolarHBondContact OD1-N 2.78Å; N186-D189 PolarHBondContact OD1-OD2 2.81Å; N186-F191 HydrophobicContact CB-CZ 4.5Å; N186-W202 VanDerWaalsContact O-CH2 3.24Å; N186-W202 WeakPolarHBondContact O-CH2 3.27Å; N186-W202 WeakPolarHBondContact O-CZ3 3.49Å
187S96.8Very high95.7Very high37 Ų3734.4 Ų34.426%0.25920%0.196SC..THydrogen-bonded Turntrans-76.1-9.9-177.4-50.80000114.1G204 S205 K206 E237S187-G204 CarbonylContact O-C 3.17Å; S187-G204 WeakPolarHBondContact O-CA 3.24Å; S187-S205 PolarHBondContact O-N 3.31Å; S187-K206 WeakPolarHBondContact O-CA 3.48Å; S187-K206 WeakPolarHBondContact O-CB 3.46Å; S187-K206 PolarHBondContact O-N 3.08Å; S187-E237 WeakPolarHBondContact CA-OE2 2.99Å; S187-E237 WeakPolarHBondContact CB-OE2 3.29Å; S187-E237 PolarHBondContact OG-OE1 3.27Å; S187-E237 PolarHBondContact OG-OE2 3.39Å
188D95.8Very high95.7Very high85 Ų8534.3 Ų34.346%0.45520%0.196SC..THydrogen-bonded Turntrans-87-22.4-171.4-59.9-50.9000113.1N186 K206 S207N186-D188 PolarHBondContact O-N 3.17Å; N186-D188 WeakPolarHBondContact OD1-CA 3.47Å; N186-D188 WeakPolarHBondContact OD1-CB 3.25Å; N186-D188 PolarHBondContact OD1-N 3.31Å; D188-K206 WeakPolarHBondContact OD1-CD 3.47Å; D188-K206 IonicContact OD1-NZ 3.56Å; D188-S207 WeakPolarHBondContact O-CA 3.43Å; D188-S207 PolarHBondContact O-N 3.41Å
189D96.8Very high95.8Very high25 Ų2532.9 Ų32.913%0.13419%0.188CC..SBendtrans-130.2178.1-170.3-57.4-55.2000113.2H164 N186 F191 G204 E211H164-D189 IonicContact CD2-OD2 3.58Å; H164-D189 IonicContact CE1-OD2 3.44Å; H164-D189 PolarHBondContact CE1-OD2 2.92Å; H164-D189 VanDerWaalsContact NE2-CB 3.32Å; H164-D189 WeakPolarHBondContact NE2-CB 3.42Å; H164-D189 IonicContact NE2-OD2 2.63Å; H164-D189 PolarHBondContact NE2-OD2 2.96Å; N186-D189 PolarHBondContact ND2-OD2 3.21Å; N186-D189 PolarHBondContact OD1-N 2.78Å; N186-D189 PolarHBondContact OD1-OD2 2.81Å; D189-F191 HydrophobicContact CB-CE2 4.15Å; D189-G204 WeakPolarHBondContact O-CA 3.38Å; D189-G204 PolarHBondContact O-N 3.06Å; D189-E211 WeakPolarHBondContact CA-OE1 3.18Å; D189-E211 WeakPolarHBondContact CB-OE1 3.28Å
190V98.2Very high96Very high0 Ų029.7 Ų29.70%017%0.166CC..EExtended strand (participates in β ladder)trans-100.1139.2175.4178.50000110.6F165 Q201 W202 E211 R212F165-V190 WeakPolarHBondContact CA-O 3.37Å; F165-V190 HydrophobicContact CB-CB 4.22Å; F165-V190 HydrophobicContact CB-CG1 4.45Å; F165-V190 WeakPolarHBondContact CB-O 3.43Å; F165-V190 PolarHBondContact N-O 3.14Å; F165-V190 PolarHBondContact O-N 2.7Å; V190-Q201 HydrophobicContact CG1-CG 3.74Å; V190-W202 WeakPolarHBondContact CA-O 3.47Å; V190-W202 WeakPolarHBondContact CG1-O 3.45Å; V190-E211 HydrophobicContact CB-CG 4.32Å; V190-E211 HydrophobicContact CG2-CG 3.9Å; V190-E211 PolarHBondContact N-OE1 2.69Å; V190-R212 HydrophobicContact CG2-CG 3.83Å
191F98.3Very high96.2Very high1 Ų128.3 Ų28.30%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-122.1141.1177-68.8-98.2000111.1L162 L163 H164 V178 S184 L185 N186 D189 W202L162-F191 HydrophobicContact CD1-CB 4.14Å; L162-F191 HydrophobicContact CD1-CD1 4.44Å; L162-F191 HydrophobicContact CD2-CD1 4.4Å; L162-F191 HydrophobicContact CG-CD1 4.34Å; L163-F191 CarbonylContact O-C 3.55Å; L163-F191 WeakPolarHBondContact O-CA 3.3Å; H164-F191 HydrophobicContact CB-CD1 4.16Å; H164-F191 HydrophobicContact CB-CE1 3.78Å; H164-F191 HydrophobicContact CB-CZ 4.49Å; H164-F191 AromaticContact CD2-CE1 3.67Å; H164-F191 AromaticContact CD2-CZ 3.52Å; H164-F191 AromaticContact CG-CE1 3.86Å; V178-F191 HydrophobicContact CG2-CE1 4.47Å; S184-F191 WeakPolarHBondContact O-CE1 3.39Å; S184-F191 WeakPolarHBondContact O-CZ 3.38Å; L185-F191 HydrophobicContact CD2-CB 3.63Å; L185-F191 HydrophobicContact CD2-CD1 3.73Å; L185-F191 HydrophobicContact CD2-CD2 3.92Å; L185-F191 HydrophobicContact CD2-CE1 4.37Å; L185-F191 HydrophobicContact CD2-CG 3.46Å; L185-F191 VanDerWaalsContact CD2-CG 3.46Å; N186-F191 HydrophobicContact CB-CZ 4.5Å; D189-F191 HydrophobicContact CB-CE2 4.15Å; F191-W202 HydrophobicContact CB-CB 4.5Å; F191-W202 HydrophobicContact CB-CE3 4.13Å; F191-W202 AromaticContact CD2-CE3 3.62Å; F191-W202 HydrophobicContact CD2-CE3 3.62Å; F191-W202 AromaticContact CD2-CZ3 3.61Å; F191-W202 HydrophobicContact CD2-CZ3 3.61Å; F191-W202 HydrophobicContact CE2-CZ3 4.08Å; F191-W202 HydrophobicContact CG-CE3 4.27Å; F191-W202 PolarHBondContact N-O 3.21Å; F191-W202 PolarHBondContact O-N 2.86Å
192I98.1Very high96.2Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-115.5111.9177.3-63.9171.4000108.9L162 L163 F165 V199 Y200 Y218 L219L162-I192 CarbonylContact C-O 3.55Å; L162-I192 WeakPolarHBondContact CA-O 3.29Å; L163-I192 HydrophobicContact CB-CB 4.16Å; L163-I192 HydrophobicContact CD1-CB 4.48Å; L163-I192 HydrophobicContact CD1-CG2 4.31Å; L163-I192 PolarHBondContact N-O 2.72Å; L163-I192 PolarHBondContact O-N 3.38Å; F165-I192 HydrophobicContact CD2-CD1 4.12Å; I192-V199 HydrophobicContact CG2-CG1 3.61Å; I192-Y200 VanDerWaalsContact CA-O 3.25Å; I192-Y200 WeakPolarHBondContact CA-O 3.01Å; I192-Y218 HydrophobicContact CD1-CD1 3.5Å; I192-Y218 HydrophobicContact CD1-CE1 3.85Å; I192-Y218 HydrophobicContact CD1-CG 4.5Å; I192-L219 HydrophobicContact CD1-CD2 3.96Å; I192-L219 HydrophobicContact CD1-CG 4.12Å; I192-L219 HydrophobicContact CG1-CD2 4.28Å; I192-L219 HydrophobicContact CG2-CD2 3.68Å
193L97.8Very high96.3Very high0 Ų025.1 Ų25.10%014%0.142CC..EExtended strand (participates in β ladder)trans-93.9109.7171176.561.3000109.2T160 L162 L195 V199 Y200 F247 K250 L251T160-L193 HydrophobicContact CG2-CD1 3.99Å; L162-L193 HydrophobicContact CD1-CB 4.1Å; L193-L195 HydrophobicContact CD1-CD2 3.9Å; L193-L195 HydrophobicContact CD2-CD1 4.49Å; L193-L195 HydrophobicContact CD2-CD2 4.21Å; L193-L195 HydrophobicContact CD2-CG 4.44Å; L193-L195 HydrophobicContact CG-CD2 3.9Å; L193-L195 HydrophobicContact CG-CG 4.11Å; L193-V199 WeakPolarHBondContact O-CA 3.18Å; L193-Y200 HydrophobicContact CB-CD2 4.35Å; L193-Y200 HydrophobicContact CD2-CD2 4.13Å; L193-Y200 HydrophobicContact CG-CD2 4.38Å; L193-Y200 PolarHBondContact N-O 3.26Å; L193-Y200 VanDerWaalsContact N-O 3.09Å; L193-Y200 PolarHBondContact O-N 3.21Å; L193-F247 HydrophobicContact CB-CD2 4.43Å; L193-F247 HydrophobicContact CB-CE2 3.8Å; L193-F247 HydrophobicContact CD2-CD2 4.05Å; L193-F247 HydrophobicContact CD2-CE2 3.97Å; L193-K250 HydrophobicContact CD2-CB 3.73Å; L193-L251 HydrophobicContact CD1-CD2 3.89Å; L193-L251 HydrophobicContact CD2-CD2 4.15Å; L193-L251 HydrophobicContact CD2-CG 4.08Å
194D96.3Very high96.4Very high0 Ų021 Ų210%013%0.125CC..EExtended strand (participates in β ladder)trans-101.7108.3-177.3-176.23.3000110.1F158 T160 R161 G196 V199 R226F158-D194 VanDerWaalsContact CE1-O 3.24Å; F158-D194 WeakPolarHBondContact CE1-O 3.42Å; F158-D194 HydrophobicContact CZ-CB 4.29Å; F158-D194 VanDerWaalsContact CZ-CG 3.48Å; F158-D194 WeakPolarHBondContact CZ-O 3.34Å; F158-D194 WeakPolarHBondContact CZ-OD1 3.37Å; T160-D194 WeakPolarHBondContact CA-O 3.47Å; R161-D194 HydrophobicContact CG-CB 3.81Å; R161-D194 IonicContact CZ-OD2 2.84Å; R161-D194 PolarHBondContact N-O 2.9Å; R161-D194 IonicContact NE-OD2 3.28Å; R161-D194 PolarHBondContact NE-OD2 2.99Å; R161-D194 IonicContact NH2-OD2 3.46Å; R161-D194 PolarHBondContact NH2-OD2 2.79Å; R161-D194 PolarHBondContact O-N 3.38Å; D194-G196 PolarHBondContact OD1-N 2.99Å; D194-G196 VanDerWaalsContact OD1-N 3.08Å; D194-V199 HydrophobicContact CB-CG1 4.32Å; D194-R226 IonicContact OD1-CZ 3.9Å; D194-R226 VanDerWaalsContact OD1-CZ 3.25Å; D194-R226 IonicContact OD1-NH1 3.47Å; D194-R226 PolarHBondContact OD1-NH1 2.86Å; D194-R226 IonicContact OD1-NH2 3.07Å; D194-R226 PolarHBondContact OD1-NH2 3.07Å; D194-R226 IonicContact OD2-CZ 3.78Å; D194-R226 IonicContact OD2-NH1 2.97Å; D194-R226 IonicContact OD2-NH2 3.67Å; D194-R226 PolarHBondContact OD2-NH2 3.46Å
195L94.7Very high96.5Very high39 Ų3922.3 Ų22.320%0.20413%0.134CC..  trans-104.913.5177.7-50.7176.9000112T160 L193 S197 L198 Y200 K250T160-L195 HydrophobicContact CG2-CD2 3.55Å; L193-L195 HydrophobicContact CD1-CD2 3.9Å; L193-L195 HydrophobicContact CD2-CD1 4.49Å; L193-L195 HydrophobicContact CD2-CD2 4.21Å; L193-L195 HydrophobicContact CD2-CG 4.44Å; L193-L195 HydrophobicContact CG-CD2 3.9Å; L193-L195 HydrophobicContact CG-CG 4.11Å; L195-S197 PolarHBondContact O-N 3.39Å; L195-S197 VanDerWaalsContact O-N 3.14Å; L195-L198 CarbonylContact C-O 3.53Å; L195-L198 WeakPolarHBondContact CA-O 3.14Å; L195-L198 VanDerWaalsContact CB-O 3.27Å; L195-L198 WeakPolarHBondContact CB-O 3.35Å; L195-L198 PolarHBondContact N-O 3.11Å; L195-Y200 HydrophobicContact CD1-CD2 4.33Å; L195-Y200 HydrophobicContact CD1-CE2 3.81Å; L195-K250 HydrophobicContact CD1-CB 4.37Å; L195-K250 HydrophobicContact CD1-CD 4.33Å; L195-K250 HydrophobicContact CD1-CG 4.04Å
196G92.9Very high96.5Very high12 Ų1227.7 Ų27.712%0.12416%0.156CC..SBendtrans87.9-78176.400000112.2F158 D194 R226 C230F158-G196 VanDerWaalsContact CZ-CA 3.5Å; D194-G196 PolarHBondContact OD1-N 2.99Å; D194-G196 VanDerWaalsContact OD1-N 3.08Å; G196-R226 PolarHBondContact O-NH1 3.11Å; G196-C230 VanDerWaalsContact O-CB 3.26Å; G196-C230 WeakPolarHBondContact O-CB 3.5Å
197S92.6Very high96.5Very high89 Ų8925.7 Ų25.762%0.62215%0.146SC*.SBendtrans-80.9-18.617759.50000113.2L195 C230 Q231L195-S197 PolarHBondContact O-N 3.39Å; L195-S197 VanDerWaalsContact O-N 3.14Å; S197-C230 CarbonylContact O-C 3.56Å; S197-C230 VanDerWaalsContact O-CA 3.27Å; S197-C230 WeakPolarHBondContact O-CA 3.22Å; S197-Q231 PolarHBondContact O-N 2.86Å
198L95.1Very high96.3Very high31 Ų3125.3 Ų25.316%0.16215%0.148CC..EExtended strand (participates in β ladder)trans-129.2134.5176.517959.6000108.6L195 Y200 Q231 Q233L195-L198 CarbonylContact C-O 3.53Å; L195-L198 WeakPolarHBondContact CA-O 3.14Å; L195-L198 VanDerWaalsContact CB-O 3.27Å; L195-L198 WeakPolarHBondContact CB-O 3.35Å; L195-L198 PolarHBondContact N-O 3.11Å; L198-Y200 HydrophobicContact CD2-CE2 3.57Å; L198-Y200 VanDerWaalsContact CD2-OH 3.3Å; L198-Y200 WeakPolarHBondContact CD2-OH 3.25Å; L198-Y200 HydrophobicContact CG-CD2 4.31Å; L198-Y200 HydrophobicContact CG-CE2 3.77Å; L198-Q231 HydrophobicContact CD1-CB 3.99Å; L198-Q233 HydrophobicContact CD1-CG 4.04Å
199V96.8Very high96.2Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-131.5127.6177.8-1700000108.5I192 L193 D194 L219 L222 C230 Q231 I232 Q233I192-V199 HydrophobicContact CG2-CG1 3.61Å; L193-V199 WeakPolarHBondContact O-CA 3.18Å; D194-V199 HydrophobicContact CB-CG1 4.32Å; V199-L219 HydrophobicContact CB-CD2 4.35Å; V199-L219 HydrophobicContact CG1-CD2 3.38Å; V199-L222 HydrophobicContact CG1-CD2 4.32Å; V199-L222 HydrophobicContact CG2-CD2 4.2Å; V199-C230 HydrophobicContact CG2-CB 4.27Å; V199-Q231 PolarHBondContact N-O 2.84Å; V199-I232 VanDerWaalsContact O-CA 3.3Å; V199-I232 WeakPolarHBondContact O-CA 3.46Å; V199-Q233 PolarHBondContact O-N 2.88Å
200Y97.3Very high96Very high3 Ų332.3 Ų32.31%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-98.1139.5175.1-64.2-92.8000110.1I192 L193 L195 L198 Q233 I235 F247I192-Y200 VanDerWaalsContact CA-O 3.25Å; I192-Y200 WeakPolarHBondContact CA-O 3.01Å; L193-Y200 HydrophobicContact CB-CD2 4.35Å; L193-Y200 HydrophobicContact CD2-CD2 4.13Å; L193-Y200 HydrophobicContact CG-CD2 4.38Å; L193-Y200 PolarHBondContact N-O 3.26Å; L193-Y200 VanDerWaalsContact N-O 3.09Å; L193-Y200 PolarHBondContact O-N 3.21Å; L195-Y200 HydrophobicContact CD1-CD2 4.33Å; L195-Y200 HydrophobicContact CD1-CE2 3.81Å; L198-Y200 HydrophobicContact CD2-CE2 3.57Å; L198-Y200 VanDerWaalsContact CD2-OH 3.3Å; L198-Y200 WeakPolarHBondContact CD2-OH 3.25Å; L198-Y200 HydrophobicContact CG-CD2 4.31Å; L198-Y200 HydrophobicContact CG-CE2 3.77Å; Y200-Q233 CarbonylContact C-O 3.6Å; Y200-Q233 VanDerWaalsContact CA-O 3.3Å; Y200-Q233 WeakPolarHBondContact CA-O 3.21Å; Y200-Q233 HydrophobicContact CD1-CB 3.89Å; Y200-Q233 HydrophobicContact CE1-CB 4.1Å; Y200-I235 HydrophobicContact CD1-CD1 4.2Å; Y200-I235 HydrophobicContact CD1-CG1 3.76Å; Y200-I235 HydrophobicContact CE1-CD1 4.41Å; Y200-I235 HydrophobicContact CE1-CG1 4.39Å; Y200-F247 HydrophobicContact CD1-CB 4.14Å; Y200-F247 AromaticContact CD1-CD2 3.98Å; Y200-F247 HydrophobicContact CD1-CD2 3.98Å; Y200-F247 HydrophobicContact CD1-CG 4.5Å; Y200-F247 HydrophobicContact CD2-CD2 4.15Å; Y200-F247 HydrophobicContact CE1-CB 4.1Å; Y200-F247 AromaticContact CG-CD2 3.72Å; Y200-F247 HydrophobicContact CG-CD2 3.72Å; Y200-F247 HydrophobicContact CG-CE2 4.45Å
201Q97.9Very high95.8Very high9 Ų932.4 Ų32.44%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-101.6113.2155.6-171176.9-49.100107.2V190 N203 R212 S215 L219 Q233 V234 I235V190-Q201 HydrophobicContact CG1-CG 3.74Å; Q201-N203 WeakPolarHBondContact CG-OD1 3.33Å; Q201-N203 PolarHBondContact NE2-OD1 2.95Å; Q201-R212 PolarHBondContact NE2-O 3.24Å; Q201-R212 VanDerWaalsContact NE2-O 3.16Å; Q201-S215 PolarHBondContact NE2-OG 3.46Å; Q201-S215 VanDerWaalsContact NE2-OG 3.11Å; Q201-S215 PolarHBondContact OE1-OG 2.92Å; Q201-L219 HydrophobicContact CB-CD1 3.62Å; Q201-L219 HydrophobicContact CG-CD1 4.24Å; Q201-Q233 PolarHBondContact N-O 3.42Å; Q201-V234 HydrophobicContact CB-CG1 4.46Å; Q201-V234 HydrophobicContact CB-CG2 4.26Å; Q201-V234 CarbonylContact O-C 3.56Å; Q201-V234 WeakPolarHBondContact O-CA 3.4Å; Q201-I235 PolarHBondContact O-N 2.85Å
202W97.9Very high95.7Very high9 Ų935.3 Ų35.33%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-101.3119.9171.8-179.290.4000108.7L185 N186 V190 F191 G204 I235 E237 F247L185-W202 HydrophobicContact CB-CH2 4.28Å; L185-W202 HydrophobicContact CB-CZ3 4.37Å; L185-W202 HydrophobicContact CD2-CE3 4.28Å; N186-W202 VanDerWaalsContact O-CH2 3.24Å; N186-W202 WeakPolarHBondContact O-CH2 3.27Å; N186-W202 WeakPolarHBondContact O-CZ3 3.49Å; V190-W202 WeakPolarHBondContact CA-O 3.47Å; V190-W202 WeakPolarHBondContact CG1-O 3.45Å; F191-W202 HydrophobicContact CB-CB 4.5Å; F191-W202 HydrophobicContact CB-CE3 4.13Å; F191-W202 AromaticContact CD2-CE3 3.62Å; F191-W202 HydrophobicContact CD2-CE3 3.62Å; F191-W202 AromaticContact CD2-CZ3 3.61Å; F191-W202 HydrophobicContact CD2-CZ3 3.61Å; F191-W202 HydrophobicContact CE2-CZ3 4.08Å; F191-W202 HydrophobicContact CG-CE3 4.27Å; F191-W202 PolarHBondContact N-O 3.21Å; F191-W202 PolarHBondContact O-N 2.86Å; W202-G204 VanDerWaalsContact CZ3-CA 3.5Å; W202-I235 CarbonylContact C-O 3.53Å; W202-I235 WeakPolarHBondContact CA-O 3.4Å; W202-E237 HydrophobicContact CH2-CB 4.17Å; W202-E237 HydrophobicContact CH2-CG 4.2Å; W202-E237 HydrophobicContact CZ2-CB 3.53Å; W202-E237 HydrophobicContact CZ2-CG 3.58Å; W202-F247 HydrophobicContact CB-CE1 3.93Å; W202-F247 HydrophobicContact CB-CE2 3.92Å; W202-F247 HydrophobicContact CB-CZ 3.51Å; W202-F247 AromaticContact CD1-CD1 3.6Å; W202-F247 AromaticContact CD1-CE1 3.21Å; W202-F247 AromaticContact CD1-CZ 3.77Å; W202-F247 HydrophobicContact CD2-CE1 4.32Å; W202-F247 HydrophobicContact CD2-CZ 4.48Å; W202-F247 HydrophobicContact CG-CD1 4.3Å; W202-F247 AromaticContact CG-CE1 3.55Å; W202-F247 HydrophobicContact CG-CE1 3.55Å; W202-F247 HydrophobicContact CG-CE2 4.44Å; W202-F247 AromaticContact CG-CZ 3.64Å; W202-F247 HydrophobicContact CG-CZ 3.64Å; W202-F247 AromaticContact NE1-CE1 3.78Å
203N97.9Very high95.5Very high4 Ų441.1 Ų41.12%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-98.3113.9-179.4-66-27.7000109.3Q201 R212 I235 E236 E237Q201-N203 WeakPolarHBondContact CG-OD1 3.33Å; Q201-N203 PolarHBondContact NE2-OD1 2.95Å; N203-R212 HydrophobicContact CB-CG 4.35Å; N203-I235 PolarHBondContact N-O 3.36Å; N203-E236 WeakPolarHBondContact CB-OE2 3.49Å; N203-E236 PolarHBondContact ND2-OE1 2.64Å; N203-E237 PolarHBondContact O-N 3.15Å
204G97.4Very high95.4Very high0 Ų043.4 Ų43.40%022%0.218CC..  trans-58.6143.2169.100000110.4S187 D189 W202 K206 S207 R212S187-G204 CarbonylContact O-C 3.17Å; S187-G204 WeakPolarHBondContact O-CA 3.24Å; D189-G204 WeakPolarHBondContact O-CA 3.38Å; D189-G204 PolarHBondContact O-N 3.06Å; W202-G204 VanDerWaalsContact CZ3-CA 3.5Å; G204-K206 PolarHBondContact O-N 2.74Å; G204-K206 VanDerWaalsContact O-N 3.07Å; G204-S207 WeakPolarHBondContact O-CB 3.4Å; G204-S207 PolarHBondContact O-N 3.33Å; G204-S207 PolarHBondContact O-OG 3.11Å; G204-R212 PolarHBondContact O-NH2 2.85Å
205S96.5Very high95.4Very high43 Ų4343.4 Ų43.430%0.30122%0.218SC..THydrogen-bonded Turntrans-58.2-24.6-174.7540000114.2S187 E237 N238S187-S205 PolarHBondContact O-N 3.31Å; S205-E237 WeakPolarHBondContact CB-OE2 3.19Å; S205-E237 PolarHBondContact N-OE2 2.86Å; S205-E237 PolarHBondContact OG-OE2 2.76Å; S205-N238 WeakPolarHBondContact CB-ND2 3.3Å
206K96.4Very high95.5Very high145 Ų14542.5 Ų42.563%0.6322%0.219SC*.THydrogen-bonded Turntrans-105.5-1.5178-55.8165-179.3174.70113.7S187 D188 G204S187-K206 WeakPolarHBondContact O-CA 3.48Å; S187-K206 WeakPolarHBondContact O-CB 3.46Å; S187-K206 PolarHBondContact O-N 3.08Å; D188-K206 WeakPolarHBondContact OD1-CD 3.47Å; D188-K206 IonicContact OD1-NZ 3.56Å; G204-K206 PolarHBondContact O-N 2.74Å; G204-K206 VanDerWaalsContact O-N 3.07Å
207S95.6Very high95.6Very high8 Ų845.1 Ų45.16%0.05623%0.228CC..  trans-58.1142.917861.70000113.3D188 G204 E211 R212D188-S207 WeakPolarHBondContact O-CA 3.43Å; D188-S207 PolarHBondContact O-N 3.41Å; G204-S207 WeakPolarHBondContact O-CB 3.4Å; G204-S207 PolarHBondContact O-N 3.33Å; G204-S207 PolarHBondContact O-OG 3.11Å; S207-E211 WeakPolarHBondContact CB-OE2 3.47Å; S207-R212 PolarHBondContact O-NE 2.81Å; S207-R212 PolarHBondContact OG-NE 2.9Å; S207-R212 PolarHBondContact OG-NH2 3.48Å
208G92.7Very high95.7Very high29 Ų2942 Ų4230%0.29920%0.203SC..  trans-71.1147.7-173.900000112.8Y210 E211 R212G208-Y210 VanDerWaalsContact C-N 3.26Å; G208-Y210 PolarHBondContact O-N 3.08Å; G208-E211 PolarHBondContact N-OE2 3.43Å; G208-E211 VanDerWaalsContact N-OE2 3.1Å; G208-E211 WeakPolarHBondContact O-CB 3.24Å; G208-E211 PolarHBondContact O-N 3Å; G208-R212 VanDerWaalsContact O-CG 3.31Å; G208-R212 WeakPolarHBondContact O-CG 3.26Å; G208-R212 PolarHBondContact O-N 2.7Å
209K93.6Very high95.7Very high193 Ų19340.7 Ų40.784%0.83920%0.195SC*.Hα-helixtrans-58.5-38.6176-69.4-179.1-179.21780112.7F213K209-F213 WeakPolarHBondContact O-CB 3.29Å; K209-F213 PolarHBondContact O-N 2.89Å; K209-F213 VanDerWaalsContact O-N 3.1Å
210Y92Very high95.7Very high64 Ų6446.3 Ų46.325%0.25123%0.225SC..Hα-helixtrans-66.5-46.8179.3178-107.9000111.3D167 D169 S170 S171 V173 G208 F213 K214D167-Y210 HydrophobicContact CB-CD1 3.96Å; D167-Y210 HydrophobicContact CB-CE1 4.25Å; D169-Y210 WeakPolarHBondContact O-CE1 3.49Å; S170-Y210 VanDerWaalsContact C-CZ 3.45Å; S170-Y210 WeakPolarHBondContact O-CE2 3.45Å; S170-Y210 PolarHBondContact O-OH 3.05Å; S171-Y210 VanDerWaalsContact CA-OH 3.28Å; S171-Y210 WeakPolarHBondContact CA-OH 3.22Å; S171-Y210 PolarHBondContact N-OH 2.68Å; V173-Y210 HydrophobicContact CG1-CE1 4.2Å; G208-Y210 VanDerWaalsContact C-N 3.26Å; G208-Y210 PolarHBondContact O-N 3.08Å; Y210-F213 WeakPolarHBondContact O-CB 3.37Å; Y210-F213 PolarHBondContact O-N 3.23Å; Y210-K214 HydrophobicContact CD1-CG 4.3Å; Y210-K214 HydrophobicContact CD2-CG 4.24Å; Y210-K214 HydrophobicContact CE1-CG 3.86Å; Y210-K214 HydrophobicContact CE2-CD 4.15Å; Y210-K214 HydrophobicContact CE2-CG 3.79Å; Y210-K214 HydrophobicContact CG-CG 4.46Å; Y210-K214 VanDerWaalsContact CZ-CE 3.41Å; Y210-K214 WeakPolarHBondContact O-CG 3.4Å; Y210-K214 PolarHBondContact O-N 3.37Å; Y210-K214 WeakPolarHBondContact OH-CE 3.45Å
211E94Very high95.4Very high2 Ų251.1 Ų51.11%0.00924%0.243CC..Hα-helixtrans-56.5-50.3175.2-172-165.5174.500112.3F165 D189 V190 S207 G208 F213 K214 S215F165-E211 HydrophobicContact CD1-CG 3.83Å; F165-E211 HydrophobicContact CE1-CG 4.25Å; D189-E211 WeakPolarHBondContact CA-OE1 3.18Å; D189-E211 WeakPolarHBondContact CB-OE1 3.28Å; V190-E211 HydrophobicContact CB-CG 4.32Å; V190-E211 HydrophobicContact CG2-CG 3.9Å; V190-E211 PolarHBondContact N-OE1 2.69Å; S207-E211 WeakPolarHBondContact CB-OE2 3.47Å; G208-E211 PolarHBondContact N-OE2 3.43Å; G208-E211 VanDerWaalsContact N-OE2 3.1Å; G208-E211 WeakPolarHBondContact O-CB 3.24Å; G208-E211 PolarHBondContact O-N 3Å; E211-F213 VanDerWaalsContact C-N 3.28Å; E211-F213 PolarHBondContact O-N 3.35Å; E211-K214 PolarHBondContact O-N 3.26Å; E211-S215 PolarHBondContact O-N 2.99Å; E211-S215 PolarHBondContact O-OG 3.19Å
212R96.1Very high95.1Very high61 Ų6151 Ų5123%0.2324%0.243CC..Hα-helixtrans-58.4-36.6175.1-66.3176.7-170.5-142.3-1.7113.4V190 Q201 N203 G204 S207 G208 S215 G216 E236V190-R212 HydrophobicContact CG2-CG 3.83Å; Q201-R212 PolarHBondContact NE2-O 3.24Å; Q201-R212 VanDerWaalsContact NE2-O 3.16Å; N203-R212 HydrophobicContact CB-CG 4.35Å; G204-R212 PolarHBondContact O-NH2 2.85Å; S207-R212 PolarHBondContact O-NE 2.81Å; S207-R212 PolarHBondContact OG-NE 2.9Å; S207-R212 PolarHBondContact OG-NH2 3.48Å; G208-R212 VanDerWaalsContact O-CG 3.31Å; G208-R212 WeakPolarHBondContact O-CG 3.26Å; G208-R212 PolarHBondContact O-N 2.7Å; R212-S215 WeakPolarHBondContact CA-OG 3.49Å; R212-S215 PolarHBondContact O-OG 3.19Å; R212-G216 PolarHBondContact O-N 3.01Å; R212-E236 IonicContact CZ-OE2 2.96Å; R212-E236 IonicContact NH1-OE1 2.71Å; R212-E236 PolarHBondContact NH1-OE1 2.82Å; R212-E236 IonicContact NH1-OE2 3.37Å; R212-E236 PolarHBondContact NH1-OE2 3.29Å; R212-E236 IonicContact NH2-OE2 3.05Å
213F95.3Very high94.9Very high122 Ų12254.1 Ų54.154%0.53526%0.257SS..Hα-helixtrans-71-45.7176.8172.9-99.7000111.3K209 Y210 E211 G216 E217K209-F213 WeakPolarHBondContact O-CB 3.29Å; K209-F213 PolarHBondContact O-N 2.89Å; K209-F213 VanDerWaalsContact O-N 3.1Å; Y210-F213 WeakPolarHBondContact O-CB 3.37Å; Y210-F213 PolarHBondContact O-N 3.23Å; E211-F213 VanDerWaalsContact C-N 3.28Å; E211-F213 PolarHBondContact O-N 3.35Å; F213-G216 PolarHBondContact O-N 3Å; F213-E217 HydrophobicContact CD1-CG 4.44Å; F213-E217 HydrophobicContact CE1-CG 3.91Å; F213-E217 WeakPolarHBondContact CE1-OE2 3.29Å; F213-E217 HydrophobicContact CE2-CG 4.49Å; F213-E217 HydrophobicContact CZ-CG 3.94Å; F213-E217 PolarHBondContact O-N 3.29Å
214K95.4Very high94.7Very high48 Ų4856.5 Ų56.521%0.20928%0.282CS..Hα-helixtrans-68.7-32.9-179-70.5-56.5-174.1-175.40113.3F165 V173 Y210 E211 E217 Y218F165-K214 HydrophobicContact CE1-CB 3.87Å; F165-K214 VanDerWaalsContact CZ-C 3.47Å; F165-K214 HydrophobicContact CZ-CB 3.64Å; V173-K214 HydrophobicContact CG1-CB 3.95Å; V173-K214 HydrophobicContact CG1-CG 4.05Å; Y210-K214 HydrophobicContact CD1-CG 4.3Å; Y210-K214 HydrophobicContact CD2-CG 4.24Å; Y210-K214 HydrophobicContact CE1-CG 3.86Å; Y210-K214 HydrophobicContact CE2-CD 4.15Å; Y210-K214 HydrophobicContact CE2-CG 3.79Å; Y210-K214 HydrophobicContact CG-CG 4.46Å; Y210-K214 VanDerWaalsContact CZ-CE 3.41Å; Y210-K214 WeakPolarHBondContact O-CG 3.4Å; Y210-K214 PolarHBondContact O-N 3.37Å; Y210-K214 WeakPolarHBondContact OH-CE 3.45Å; E211-K214 PolarHBondContact O-N 3.26Å; K214-E217 WeakPolarHBondContact CD-OE2 3.29Å; K214-E217 WeakPolarHBondContact CE-OE2 3.35Å; K214-E217 IonicContact NZ-OE2 3.03Å; K214-E217 PolarHBondContact NZ-OE2 2.7Å; K214-E217 PolarHBondContact O-N 2.91Å; K214-Y218 PolarHBondContact O-N 3.21Å
215S96.3Very high94.2Very high0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-65.1-40.9170.860.10000111.3Q201 E211 R212 E217 Y218 L219Q201-S215 PolarHBondContact NE2-OG 3.46Å; Q201-S215 VanDerWaalsContact NE2-OG 3.11Å; Q201-S215 PolarHBondContact OE1-OG 2.92Å; E211-S215 PolarHBondContact O-N 2.99Å; E211-S215 PolarHBondContact O-OG 3.19Å; R212-S215 WeakPolarHBondContact CA-OG 3.49Å; R212-S215 PolarHBondContact O-OG 3.19Å; S215-E217 PolarHBondContact O-N 3.31Å; S215-Y218 WeakPolarHBondContact O-CB 3.19Å; S215-Y218 PolarHBondContact O-N 3.08Å; S215-L219 WeakPolarHBondContact O-CG 3.47Å; S215-L219 PolarHBondContact O-N 2.89Å
216G96.8Very high93.9Very high21 Ų2161.9 Ų61.922%0.21630%0.3CS..Hα-helixtrans-58.6-46171.400000112.9R212 F213 Y218 L219 L220R212-G216 PolarHBondContact O-N 3.01Å; F213-G216 PolarHBondContact O-N 3Å; G216-Y218 VanDerWaalsContact C-N 3.32Å; G216-Y218 PolarHBondContact O-N 3.27Å; G216-L219 PolarHBondContact O-N 3.43Å; G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 3.3Å
217E94.7Very high93.6Very high67 Ų6759.5 Ų59.531%0.31330%0.302SS..Hα-helixtrans-59.9-40.8174.3-71.3-163110.600112.3F213 K214 S215 L220 R221F213-E217 HydrophobicContact CD1-CG 4.44Å; F213-E217 HydrophobicContact CE1-CG 3.91Å; F213-E217 WeakPolarHBondContact CE1-OE2 3.29Å; F213-E217 HydrophobicContact CE2-CG 4.49Å; F213-E217 HydrophobicContact CZ-CG 3.94Å; F213-E217 PolarHBondContact O-N 3.29Å; K214-E217 WeakPolarHBondContact CD-OE2 3.29Å; K214-E217 WeakPolarHBondContact CE-OE2 3.35Å; K214-E217 IonicContact NZ-OE2 3.03Å; K214-E217 PolarHBondContact NZ-OE2 2.7Å; K214-E217 PolarHBondContact O-N 2.91Å; S215-E217 PolarHBondContact O-N 3.31Å; E217-L220 PolarHBondContact O-N 3.21Å; E217-R221 PolarHBondContact O-N 2.92Å
218Y94.2Very high93.3Very high24 Ų2461 Ų619%0.09432%0.319CS..Hα-helixtrans-61.2-44.5175.3170.6-90.4000111.5K140 L163 F165 L175 I192 K214 S215 G216 L220 R221 L222K140-Y218 HydrophobicContact CD-CE2 4.12Å; L163-Y218 HydrophobicContact CD1-CE1 4.13Å; F165-Y218 HydrophobicContact CE2-CG 4.49Å; L175-Y218 HydrophobicContact CD2-CD1 4.35Å; L175-Y218 HydrophobicContact CD2-CD2 3.94Å; L175-Y218 HydrophobicContact CD2-CE1 3.88Å; L175-Y218 HydrophobicContact CD2-CE2 3.41Å; L175-Y218 VanDerWaalsContact CD2-CE2 3.41Å; L175-Y218 HydrophobicContact CD2-CG 4.38Å; I192-Y218 HydrophobicContact CD1-CD1 3.5Å; I192-Y218 HydrophobicContact CD1-CE1 3.85Å; I192-Y218 HydrophobicContact CD1-CG 4.5Å; K214-Y218 PolarHBondContact O-N 3.21Å; S215-Y218 WeakPolarHBondContact O-CB 3.19Å; S215-Y218 PolarHBondContact O-N 3.08Å; G216-Y218 VanDerWaalsContact C-N 3.32Å; G216-Y218 PolarHBondContact O-N 3.27Å; Y218-L220 PolarHBondContact O-N 3.35Å; Y218-R221 WeakPolarHBondContact O-CB 3.48Å; Y218-R221 PolarHBondContact O-N 2.98Å; Y218-L222 HydrophobicContact CE1-CD2 4.32Å; Y218-L222 PolarHBondContact O-N 3.48Å
219L95.9Very high93.2Very high2 Ų269.1 Ų69.11%0.0134%0.341CS..Hα-helixtrans-65.6-36.6179.7-70.2179.9000113.1I192 V199 Q201 S215 G216 R221 L222 K223 I232I192-L219 HydrophobicContact CD1-CD2 3.96Å; I192-L219 HydrophobicContact CD1-CG 4.12Å; I192-L219 HydrophobicContact CG1-CD2 4.28Å; I192-L219 HydrophobicContact CG2-CD2 3.68Å; V199-L219 HydrophobicContact CB-CD2 4.35Å; V199-L219 HydrophobicContact CG1-CD2 3.38Å; Q201-L219 HydrophobicContact CB-CD1 3.62Å; Q201-L219 HydrophobicContact CG-CD1 4.24Å; S215-L219 WeakPolarHBondContact O-CG 3.47Å; S215-L219 PolarHBondContact O-N 2.89Å; G216-L219 PolarHBondContact O-N 3.43Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 3.01Å; L219-L222 HydrophobicContact CD2-CD2 4.27Å; L219-L222 PolarHBondContact O-N 3.34Å; L219-K223 WeakPolarHBondContact O-CB 3.48Å; L219-K223 PolarHBondContact O-N 3.17Å; L219-I232 HydrophobicContact CB-CD1 3.86Å; L219-I232 HydrophobicContact CB-CG1 4.37Å; L219-I232 HydrophobicContact CD1-CG2 3.94Å
220L95.4Very high93.1Very high119 Ų11960 Ų6062%0.62330%0.301SS*.Hα-helixtrans-62.6-40.2173.2-68.8176.6000111.7G216 E217 Y218 K223 G224 I232G216-L220 WeakPolarHBondContact O-CG 3.46Å; G216-L220 PolarHBondContact O-N 3.3Å; E217-L220 PolarHBondContact O-N 3.21Å; Y218-L220 PolarHBondContact O-N 3.35Å; L220-K223 PolarHBondContact O-N 2.97Å; L220-G224 PolarHBondContact O-N 2.83Å; L220-I232 HydrophobicContact CD2-CD1 4.42Å
221R92Very high93.2Very high103 Ų10363.3 Ų63.339%0.38932%0.319SS..Hα-helixtrans-64.8-47.3173.8179.2175170.8160.1-8.2111.4D60 E217 Y218 L219 K223 G224 E225D60-R221 PolarHBondContact O-NH2 3.05Å; E217-R221 PolarHBondContact O-N 2.92Å; Y218-R221 WeakPolarHBondContact O-CB 3.48Å; Y218-R221 PolarHBondContact O-N 2.98Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 3.01Å; R221-K223 PolarHBondContact O-N 3.23Å; R221-G224 CarbonylContact O-C 3.54Å; R221-G224 WeakPolarHBondContact O-CA 3.13Å; R221-G224 PolarHBondContact O-N 2.82Å; R221-E225 HydrophobicContact CG-CG 4.49Å; R221-E225 WeakPolarHBondContact CG-OE1 3.25Å; R221-E225 IonicContact CZ-OE1 3.88Å; R221-E225 IonicContact NE-OE1 2.73Å; R221-E225 PolarHBondContact NE-OE1 2.83Å; R221-E225 IonicContact NH2-OE1 3.85Å; R221-E225 WeakPolarHBondContact O-CG 3.28Å; R221-E225 PolarHBondContact O-N 3.27Å
222L91.3Very high93.4Very high7 Ų765.7 Ų65.74%0.03733%0.331CS..Hα-helixtrans-57.4-40.3176.9-178.265.2000111.6V199 Y218 L219 E225 R226V199-L222 HydrophobicContact CG1-CD2 4.32Å; V199-L222 HydrophobicContact CG2-CD2 4.2Å; Y218-L222 HydrophobicContact CE1-CD2 4.32Å; Y218-L222 PolarHBondContact O-N 3.48Å; L219-L222 HydrophobicContact CD2-CD2 4.27Å; L219-L222 PolarHBondContact O-N 3.34Å; L222-E225 PolarHBondContact O-N 2.83Å; L222-R226 WeakPolarHBondContact O-CG 3.44Å; L222-R226 PolarHBondContact O-N 2.9Å; L222-R226 VanDerWaalsContact O-N 3.08Å
223K94.3Very high93.4Very high75 Ų7565.7 Ų65.733%0.32633%0.334SS..Hα-helixtrans-64.3-41174.2-178.3171.4-178178.30112.4L219 L220 R221 R226 S227 G228 C230 I232L219-K223 WeakPolarHBondContact O-CB 3.48Å; L219-K223 PolarHBondContact O-N 3.17Å; L220-K223 PolarHBondContact O-N 2.97Å; R221-K223 PolarHBondContact O-N 3.23Å; K223-R226 CarbonylContact O-C 3.48Å; K223-R226 PolarHBondContact O-N 3.38Å; K223-S227 PolarHBondContact O-N 2.93Å; K223-G228 WeakPolarHBondContact CE-O 3.27Å; K223-G228 WeakPolarHBondContact O-CA 3.47Å; K223-G228 PolarHBondContact O-N 3.44Å; K223-C230 WeakPolarHBondContact CA-SG 3.38Å; K223-C230 VanDerWaalsContact CB-SG 3.54Å; K223-C230 WeakPolarHBondContact CD-O 3.38Å; K223-C230 VanDerWaalsContact CE-O 3.24Å; K223-C230 WeakPolarHBondContact CE-O 3.28Å; K223-I232 HydrophobicContact CB-CD1 4.11Å; K223-I232 HydrophobicContact CD-CD1 3.92Å; K223-I232 HydrophobicContact CD-CG1 4.48Å
224G92.5Very high93.4Very high53 Ų5363.7 Ų63.755%0.54633%0.331SS..Hα-helixtrans-59.3-46.6172.200000112.6L220 R221 R226 S227L220-G224 PolarHBondContact O-N 2.83Å; R221-G224 CarbonylContact O-C 3.54Å; R221-G224 WeakPolarHBondContact O-CA 3.13Å; R221-G224 PolarHBondContact O-N 2.82Å; G224-R226 PolarHBondContact O-N 2.85Å; G224-S227 WeakPolarHBondContact O-CA 3.33Å; G224-S227 PolarHBondContact O-N 2.63Å
225E87.5Confident93.5Very high115 Ų11561.6 Ų61.654%0.53732%0.322SS..Hα-helixtrans-59.7-28.4175.9-69.4168.9-17300112.1R221 L222 S227R221-E225 HydrophobicContact CG-CG 4.49Å; R221-E225 WeakPolarHBondContact CG-OE1 3.25Å; R221-E225 IonicContact CZ-OE1 3.88Å; R221-E225 IonicContact NE-OE1 2.73Å; R221-E225 PolarHBondContact NE-OE1 2.83Å; R221-E225 IonicContact NH2-OE1 3.85Å; R221-E225 WeakPolarHBondContact O-CG 3.28Å; R221-E225 PolarHBondContact O-N 3.27Å; L222-E225 PolarHBondContact O-N 2.83Å; E225-S227 VanDerWaalsContact C-N 3.34Å
226R89.6Confident93.5Very high42 Ų4264.3 Ų64.316%0.15834%0.335CS..THydrogen-bonded Turntrans-9214.4174.3-66.5-178.2179160.610.1114.4D194 G196 L222 K223 G224 G228 R229D194-R226 IonicContact OD1-CZ 3.9Å; D194-R226 VanDerWaalsContact OD1-CZ 3.25Å; D194-R226 IonicContact OD1-NH1 3.47Å; D194-R226 PolarHBondContact OD1-NH1 2.86Å; D194-R226 IonicContact OD1-NH2 3.07Å; D194-R226 PolarHBondContact OD1-NH2 3.07Å; D194-R226 IonicContact OD2-CZ 3.78Å; D194-R226 IonicContact OD2-NH1 2.97Å; D194-R226 IonicContact OD2-NH2 3.67Å; D194-R226 PolarHBondContact OD2-NH2 3.46Å; G196-R226 PolarHBondContact O-NH1 3.11Å; L222-R226 WeakPolarHBondContact O-CG 3.44Å; L222-R226 PolarHBondContact O-N 2.9Å; L222-R226 VanDerWaalsContact O-N 3.08Å; K223-R226 CarbonylContact O-C 3.48Å; K223-R226 PolarHBondContact O-N 3.38Å; G224-R226 PolarHBondContact O-N 2.85Å; R226-G228 PolarHBondContact O-N 3.17Å; R226-R229 WeakPolarHBondContact O-CB 3.31Å; R226-R229 PolarHBondContact O-N 3.08Å; R226-R229 VanDerWaalsContact O-N 3.15Å; R226-R229 PolarHBondContact O-NE 2.87Å
227S91.4Very high93.4Very high94 Ų9465.7 Ų65.766%0.65734%0.336SS*.THydrogen-bonded Turntrans56.235-179-41.30000112.9K223 G224 E225 R229K223-S227 PolarHBondContact O-N 2.93Å; G224-S227 WeakPolarHBondContact O-CA 3.33Å; G224-S227 PolarHBondContact O-N 2.63Å; E225-S227 VanDerWaalsContact C-N 3.34Å; S227-R229 VanDerWaalsContact C-N 3.25Å; S227-R229 PolarHBondContact O-N 3.2Å
228G89.5Confident93.2Very high41 Ų4168.4 Ų68.442%0.42335%0.353SS..THydrogen-bonded Turntrans78.6-1.6179.300000115.6K223 R226 C230K223-G228 WeakPolarHBondContact CE-O 3.27Å; K223-G228 WeakPolarHBondContact O-CA 3.47Å; K223-G228 PolarHBondContact O-N 3.44Å; R226-G228 PolarHBondContact O-N 3.17Å; G228-C230 VanDerWaalsContact C-N 3.28Å; G228-C230 PolarHBondContact O-N 3.07Å
229R88.7Confident92.8Very high198 Ų19872.2 Ų72.275%0.74737%0.371SS*.  trans-78.7-2.6-171.3-64.5-178.1-69.8170.7-4.2115.1R226 S227R226-R229 WeakPolarHBondContact O-CB 3.31Å; R226-R229 PolarHBondContact O-N 3.08Å; R226-R229 VanDerWaalsContact O-N 3.15Å; R226-R229 PolarHBondContact O-NE 2.87Å; S227-R229 VanDerWaalsContact C-N 3.25Å; S227-R229 PolarHBondContact O-N 3.2Å
230C91.5Very high91.9Very high2 Ų278.5 Ų78.51%0.01442%0.416CS..SBendtrans-101.1137.6172.974.40000111.8G196 S197 V199 K223 G228G196-C230 VanDerWaalsContact O-CB 3.26Å; G196-C230 WeakPolarHBondContact O-CB 3.5Å; S197-C230 CarbonylContact O-C 3.56Å; S197-C230 VanDerWaalsContact O-CA 3.27Å; S197-C230 WeakPolarHBondContact O-CA 3.22Å; V199-C230 HydrophobicContact CG2-CB 4.27Å; K223-C230 WeakPolarHBondContact CA-SG 3.38Å; K223-C230 VanDerWaalsContact CB-SG 3.54Å; K223-C230 WeakPolarHBondContact CD-O 3.38Å; K223-C230 VanDerWaalsContact CE-O 3.24Å; K223-C230 WeakPolarHBondContact CE-O 3.28Å; G228-C230 VanDerWaalsContact C-N 3.28Å; G228-C230 PolarHBondContact O-N 3.07Å
231Q95.6Very high91.4Very high133 Ų13374.1 Ų74.162%0.62140%0.395SS*.EExtended strand (participates in β ladder)trans-85143.8169.6-66.5-176.5-11.600109.6S197 L198 V199S197-Q231 PolarHBondContact O-N 2.86Å; L198-Q231 HydrophobicContact CD1-CB 3.99Å; V199-Q231 PolarHBondContact N-O 2.84Å
232I97.1Very high91.4Very high53 Ų5376.1 Ų76.127%0.27241%0.409SS..EExtended strand (participates in β ladder)trans-114.6130176.7-63.6164000107.4V199 L219 L220 K223V199-I232 VanDerWaalsContact O-CA 3.3Å; V199-I232 WeakPolarHBondContact O-CA 3.46Å; L219-I232 HydrophobicContact CB-CD1 3.86Å; L219-I232 HydrophobicContact CB-CG1 4.37Å; L219-I232 HydrophobicContact CD1-CG2 3.94Å; L220-I232 HydrophobicContact CD2-CD1 4.42Å; K223-I232 HydrophobicContact CB-CD1 4.11Å; K223-I232 HydrophobicContact CD-CD1 3.92Å; K223-I232 HydrophobicContact CD-CG1 4.48Å
233Q96.1Very high91.3Very high61 Ų6180.3 Ų80.329%0.28543%0.428SS..EExtended strand (participates in β ladder)trans-121.5134.4170.8-72.5-176.2-13.200109.3L198 V199 Y200 Q201L198-Q233 HydrophobicContact CD1-CG 4.04Å; V199-Q233 PolarHBondContact O-N 2.88Å; Y200-Q233 CarbonylContact C-O 3.6Å; Y200-Q233 VanDerWaalsContact CA-O 3.3Å; Y200-Q233 WeakPolarHBondContact CA-O 3.21Å; Y200-Q233 HydrophobicContact CD1-CB 3.89Å; Y200-Q233 HydrophobicContact CE1-CB 4.1Å; Q201-Q233 PolarHBondContact N-O 3.42Å
234V96.6Very high91.2Very high79 Ų7977.9 Ų77.948%0.47942%0.418SS..EExtended strand (participates in β ladder)trans-105.2128.3176.5-176.50000107.8Q201Q201-V234 HydrophobicContact CB-CG1 4.46Å; Q201-V234 HydrophobicContact CB-CG2 4.26Å; Q201-V234 CarbonylContact O-C 3.56Å; Q201-V234 WeakPolarHBondContact O-CA 3.4Å
235I96.6Very high91.3Very high4 Ų477.4 Ų77.42%0.02141%0.413CS..EExtended strand (participates in β ladder)trans-124.5133.4-175.8-51.1-61.7000107.9Y200 Q201 W202 N203 E243 L244 F247Y200-I235 HydrophobicContact CD1-CD1 4.2Å; Y200-I235 HydrophobicContact CD1-CG1 3.76Å; Y200-I235 HydrophobicContact CE1-CD1 4.41Å; Y200-I235 HydrophobicContact CE1-CG1 4.39Å; Q201-I235 PolarHBondContact O-N 2.85Å; W202-I235 CarbonylContact C-O 3.53Å; W202-I235 WeakPolarHBondContact CA-O 3.4Å; N203-I235 PolarHBondContact N-O 3.36Å; I235-E243 HydrophobicContact CD1-CB 3.57Å; I235-L244 HydrophobicContact CG2-CB 4.06Å; I235-L244 HydrophobicContact CG2-CD1 3.65Å; I235-L244 HydrophobicContact CG2-CG 4.46Å; I235-F247 HydrophobicContact CG1-CB 4.33Å
236E96.3Very high91.6Very high57 Ų5775.5 Ų75.527%0.26640%0.404SS..EExtended strand (participates in β ladder)trans-102.8136.4173.9-64.1-70.9155.600109.8N203 R212 N238 E239N203-E236 WeakPolarHBondContact CB-OE2 3.49Å; N203-E236 PolarHBondContact ND2-OE1 2.64Å; R212-E236 IonicContact CZ-OE2 2.96Å; R212-E236 IonicContact NH1-OE1 2.71Å; R212-E236 PolarHBondContact NH1-OE1 2.82Å; R212-E236 IonicContact NH1-OE2 3.37Å; R212-E236 PolarHBondContact NH1-OE2 3.29Å; R212-E236 IonicContact NH2-OE2 3.05Å; E236-N238 PolarHBondContact O-N 3.3Å; E236-E239 HydrophobicContact CB-CB 4.06Å; E236-E239 PolarHBondContact O-N 3.02Å; E236-E239 VanDerWaalsContact O-N 3.16Å
237E95.2Very high91.8Very high50 Ų5073.5 Ų73.523%0.23440%0.397CS..THydrogen-bonded Turntrans-53.7-38.3-179.1178.1175.6-153.700113.3S187 W202 N203 S205S187-E237 WeakPolarHBondContact CA-OE2 2.99Å; S187-E237 WeakPolarHBondContact CB-OE2 3.29Å; S187-E237 PolarHBondContact OG-OE1 3.27Å; S187-E237 PolarHBondContact OG-OE2 3.39Å; W202-E237 HydrophobicContact CH2-CB 4.17Å; W202-E237 HydrophobicContact CH2-CG 4.2Å; W202-E237 HydrophobicContact CZ2-CB 3.53Å; W202-E237 HydrophobicContact CZ2-CG 3.58Å; N203-E237 PolarHBondContact O-N 3.15Å; S205-E237 WeakPolarHBondContact CB-OE2 3.19Å; S205-E237 PolarHBondContact N-OE2 2.86Å; S205-E237 PolarHBondContact OG-OE2 2.76Å
238N89.2Confident92Very high125 Ų12571.8 Ų71.867%0.66838%0.38SS*.THydrogen-bonded Turntrans-91.60.3-173.8-68.3-21.9000113.8S205 E236 S240S205-N238 WeakPolarHBondContact CB-ND2 3.3Å; E236-N238 PolarHBondContact O-N 3.3Å; N238-S240 PolarHBondContact O-N 2.96Å
239E86.6Confident92.3Very high104 Ų10473.8 Ų73.849%0.48639%0.387SS..  trans-85113.2179.7-162.9176.7-172.300109.5E236 S241 L244E236-E239 HydrophobicContact CB-CB 4.06Å; E236-E239 PolarHBondContact O-N 3.02Å; E236-E239 VanDerWaalsContact O-N 3.16Å; E239-S241 VanDerWaalsContact C-N 3.25Å; E239-S241 PolarHBondContact O-N 3.31Å; E239-L244 WeakPolarHBondContact O-CD2 3.37Å
240S77.4Confident92.6Very high134 Ų13469.6 Ų69.694%0.93737%0.374SS*.  trans-76.582.7172.5-68.80000109.5N238N238-S240 PolarHBondContact O-N 2.96Å
241S85Confident92.7Very high26 Ų2669.7 Ų69.718%0.18238%0.375CS..  trans-125.6157.9-175.870.10000112E239 E243 L244 G245E239-S241 VanDerWaalsContact C-N 3.25Å; E239-S241 PolarHBondContact O-N 3.31Å; S241-E243 VanDerWaalsContact CB-OE2 3.22Å; S241-E243 WeakPolarHBondContact CB-OE2 3.28Å; S241-E243 PolarHBondContact O-N 2.82Å; S241-L244 PolarHBondContact O-N 3.38Å; S241-L244 PolarHBondContact OG-N 3.05Å; S241-L244 VanDerWaalsContact OG-N 3.14Å; S241-G245 PolarHBondContact O-N 3.18Å
242Q90.5Very high92.7Very high146 Ų14666.3 Ų66.368%0.68236%0.364SS*.Hα-helixtrans-61.2-36.4173178.7-179.9-26.100109.9L244 G245 E246Q242-L244 PolarHBondContact O-N 3.37Å; Q242-G245 PolarHBondContact O-N 2.81Å; Q242-G245 VanDerWaalsContact O-N 3.13Å; Q242-E246 HydrophobicContact CG-CG 4.45Å; Q242-E246 PolarHBondContact NE2-OE1 2.92Å; Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 2.6Å
243E89.8Confident92.5Very high94 Ų9468.8 Ų68.844%0.43938%0.378SS..Hα-helixtrans-62.4-38.8-179.6-62.384.9167.700112.1I235 S241 E246 F247I235-E243 HydrophobicContact CD1-CB 3.57Å; S241-E243 VanDerWaalsContact CB-OE2 3.22Å; S241-E243 WeakPolarHBondContact CB-OE2 3.28Å; S241-E243 PolarHBondContact O-N 2.82Å; E243-E246 PolarHBondContact O-N 2.72Å; E243-F247 WeakPolarHBondContact O-CB 3.45Å; E243-F247 PolarHBondContact O-N 3.19Å
244L93.2Very high92.4Very high25 Ų2569.4 Ų69.413%0.13139%0.386CS..Hα-helixtrans-64.1-43.7172.9178.162.7000111.2I235 E239 S241 Q242 E246 F247 L248I235-L244 HydrophobicContact CG2-CB 4.06Å; I235-L244 HydrophobicContact CG2-CD1 3.65Å; I235-L244 HydrophobicContact CG2-CG 4.46Å; E239-L244 WeakPolarHBondContact O-CD2 3.37Å; S241-L244 PolarHBondContact O-N 3.38Å; S241-L244 PolarHBondContact OG-N 3.05Å; S241-L244 VanDerWaalsContact OG-N 3.14Å; Q242-L244 PolarHBondContact O-N 3.37Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 3.19Å; L244-F247 HydrophobicContact CD1-CD1 4.28Å; L244-F247 PolarHBondContact O-N 3.44Å; L244-L248 HydrophobicContact CD1-CD1 4.16Å; L244-L248 HydrophobicContact CD1-CG 4.16Å; L244-L248 HydrophobicContact CG-CD1 4.11Å; L244-L248 HydrophobicContact CG-CG 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.4Å; L244-L248 WeakPolarHBondContact O-CG 3.46Å; L244-L248 PolarHBondContact O-N 3.49Å
245G93.3Very high92.2Very high42 Ų4272.8 Ų72.843%0.43340%0.397SS..Hα-helixtrans-60.3-42.9175.500000112.3S241 Q242 S249S241-G245 PolarHBondContact O-N 3.18Å; Q242-G245 PolarHBondContact O-N 2.81Å; Q242-G245 VanDerWaalsContact O-N 3.13Å; G245-S249 WeakPolarHBondContact O-CB 3.43Å; G245-S249 PolarHBondContact O-N 3.45Å
246E94Very high91.9Very high75 Ų7574.6 Ų74.635%0.3541%0.406SS..Hα-helixtrans-62.9-48.9175.3-73.9-179.4-166.800111.6Q242 E243 L244 L248 S249 K250Q242-E246 HydrophobicContact CG-CG 4.45Å; Q242-E246 PolarHBondContact NE2-OE1 2.92Å; Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 2.6Å; E243-E246 PolarHBondContact O-N 2.72Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-E246 PolarHBondContact O-N 3.19Å; E246-L248 PolarHBondContact O-N 3Å; E246-S249 WeakPolarHBondContact O-CB 3.26Å; E246-S249 PolarHBondContact O-N 2.7Å; E246-S249 VanDerWaalsContact O-N 3.15Å; E246-S249 PolarHBondContact O-OG 3.05Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.31Å
247F95.1Very high91.2Very high0 Ų076.9 Ų76.90%042%0.424CS..Hα-helixtrans-54.8-51.5175.5164.7-100.7000111.8L185 L193 Y200 W202 I235 E243 L244 S249 K250 L251L185-F247 HydrophobicContact CD1-CE1 3.72Å; L185-F247 HydrophobicContact CD1-CZ 4Å; L185-F247 HydrophobicContact CD2-CZ 4.29Å; L193-F247 HydrophobicContact CB-CD2 4.43Å; L193-F247 HydrophobicContact CB-CE2 3.8Å; L193-F247 HydrophobicContact CD2-CD2 4.05Å; L193-F247 HydrophobicContact CD2-CE2 3.97Å; Y200-F247 HydrophobicContact CD1-CB 4.14Å; Y200-F247 AromaticContact CD1-CD2 3.98Å; Y200-F247 HydrophobicContact CD1-CD2 3.98Å; Y200-F247 HydrophobicContact CD1-CG 4.5Å; Y200-F247 HydrophobicContact CD2-CD2 4.15Å; Y200-F247 HydrophobicContact CE1-CB 4.1Å; Y200-F247 AromaticContact CG-CD2 3.72Å; Y200-F247 HydrophobicContact CG-CD2 3.72Å; Y200-F247 HydrophobicContact CG-CE2 4.45Å; W202-F247 HydrophobicContact CB-CE1 3.93Å; W202-F247 HydrophobicContact CB-CE2 3.92Å; W202-F247 HydrophobicContact CB-CZ 3.51Å; W202-F247 AromaticContact CD1-CD1 3.6Å; W202-F247 AromaticContact CD1-CE1 3.21Å; W202-F247 AromaticContact CD1-CZ 3.77Å; W202-F247 HydrophobicContact CD2-CE1 4.32Å; W202-F247 HydrophobicContact CD2-CZ 4.48Å; W202-F247 HydrophobicContact CG-CD1 4.3Å; W202-F247 AromaticContact CG-CE1 3.55Å; W202-F247 HydrophobicContact CG-CE1 3.55Å; W202-F247 HydrophobicContact CG-CE2 4.44Å; W202-F247 AromaticContact CG-CZ 3.64Å; W202-F247 HydrophobicContact CG-CZ 3.64Å; W202-F247 AromaticContact NE1-CE1 3.78Å; I235-F247 HydrophobicContact CG1-CB 4.33Å; E243-F247 WeakPolarHBondContact O-CB 3.45Å; E243-F247 PolarHBondContact O-N 3.19Å; L244-F247 HydrophobicContact CD1-CD1 4.28Å; L244-F247 PolarHBondContact O-N 3.44Å; F247-S249 PolarHBondContact O-N 2.86Å; F247-K250 WeakPolarHBondContact O-CB 3.29Å; F247-K250 PolarHBondContact O-N 2.8Å; F247-L251 HydrophobicContact CE1-CD1 4.02Å; F247-L251 HydrophobicContact CE2-CD1 4.17Å; F247-L251 HydrophobicContact CZ-CD1 3.63Å
248L95Very high90.1Very high58 Ų5880.3 Ų80.330%0.30444%0.44SS..Hα-helixtrans-63.4-30.9179.8-69.5175.6000112.1K182 L185 L244 E246 K250 L251K182-L248 WeakPolarHBondContact CE-O 3.4Å; L185-L248 HydrophobicContact CD1-CD2 4.23Å; L244-L248 HydrophobicContact CD1-CD1 4.16Å; L244-L248 HydrophobicContact CD1-CG 4.16Å; L244-L248 HydrophobicContact CG-CD1 4.11Å; L244-L248 HydrophobicContact CG-CG 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.4Å; L244-L248 WeakPolarHBondContact O-CG 3.46Å; L244-L248 PolarHBondContact O-N 3.49Å; E246-L248 PolarHBondContact O-N 3Å; L248-K250 PolarHBondContact O-N 2.73Å; L248-L251 PolarHBondContact O-N 2.7Å; L248-L251 VanDerWaalsContact O-O 3.13Å
249S94.8Very high89.1Confident83 Ų8378 Ų7858%0.5843%0.432SS*.Hα-helixtrans-67.5-21.8175.5810000113.5G245 E246 F247G245-S249 WeakPolarHBondContact O-CB 3.43Å; G245-S249 PolarHBondContact O-N 3.45Å; E246-S249 WeakPolarHBondContact O-CB 3.26Å; E246-S249 PolarHBondContact O-N 2.7Å; E246-S249 VanDerWaalsContact O-N 3.15Å; E246-S249 PolarHBondContact O-OG 3.05Å; F247-S249 PolarHBondContact O-N 2.86Å
250K95.1Very high88.1Confident110 Ų11075.1 Ų75.148%0.47842%0.422SS..THydrogen-bonded Turntrans-82.4-13.9177.4-57.5-57.2179-175.60113.3L193 L195 E246 F247 L248L193-K250 HydrophobicContact CD2-CB 3.73Å; L195-K250 HydrophobicContact CD1-CB 4.37Å; L195-K250 HydrophobicContact CD1-CD 4.33Å; L195-K250 HydrophobicContact CD1-CG 4.04Å; E246-K250 WeakPolarHBondContact O-CG 3.46Å; E246-K250 PolarHBondContact O-N 3.31Å; F247-K250 WeakPolarHBondContact O-CB 3.29Å; F247-K250 PolarHBondContact O-N 2.8Å; L248-K250 PolarHBondContact O-N 2.73Å
251L95.1Very high87.4Confident5 Ų576 Ų763%0.02641%0.409CS..SBendtrans-102.1127.3177.2-71.1172.8000110.1L162 K182 L185 L193 F247 L248L162-L251 HydrophobicContact CD1-CD2 4.46Å; L162-L251 HydrophobicContact CD2-CD2 4.22Å; K182-L251 VanDerWaalsContact CE-O 3.23Å; K182-L251 WeakPolarHBondContact CE-O 3.39Å; K182-L251 HydrophobicContact CG-CB 3.76Å; L185-L251 HydrophobicContact CD1-CD1 3.84Å; L185-L251 HydrophobicContact CD2-CD1 4.29Å; L185-L251 HydrophobicContact CG-CD1 4.23Å; L193-L251 HydrophobicContact CD1-CD2 3.89Å; L193-L251 HydrophobicContact CD2-CD2 4.15Å; L193-L251 HydrophobicContact CD2-CG 4.08Å; F247-L251 HydrophobicContact CE1-CD1 4.02Å; F247-L251 HydrophobicContact CE2-CD1 4.17Å; F247-L251 HydrophobicContact CZ-CD1 3.63Å; L248-L251 PolarHBondContact O-N 2.7Å; L248-L251 VanDerWaalsContact O-O 3.13Å
252P94.6Very high86.3Confident61 Ų6178 Ų7840%0.39642%0.415SS..  trans-69.9158.5172.833.4-36.5000110.4C180 S181 K182 T254C180-P252 WeakPolarHBondContact O-CD 3.24Å; C180-P252 WeakPolarHBondContact O-CG 3.39Å; S181-P252 CarbonylContact C-O 3.47Å; S181-P252 VanDerWaalsContact CA-O 3.31Å; S181-P252 WeakPolarHBondContact CA-O 3.24Å; S181-P252 PolarHBondContact OG-O 3Å; K182-P252 PolarHBondContact N-O 3.45Å; P252-T254 HydrophobicContact CB-CG2 4.14Å; P252-T254 PolarHBondContact O-N 3.29Å
253D93.2Very high85Confident106 Ų10677.7 Ų77.757%0.56742%0.418SS*.  trans-100.961.3175.5-163.63.1000110.2K182 K183K182-D253 HydrophobicContact CD-CB 4.18Å; K183-D253 VanDerWaalsContact CE-OD1 3.3Å; K183-D253 WeakPolarHBondContact CE-OD1 3.17Å
254T93Very high84.5Confident73 Ų7383.7 Ų83.745%0.44844%0.436SS..  trans-98.1140.1-178.3490000110.6S181 P252 I256S181-T254 PolarHBondContact OG-N 3.26Å; S181-T254 PolarHBondContact OG-O 3.43Å; P252-T254 HydrophobicContact CB-CG2 4.14Å; P252-T254 PolarHBondContact O-N 3.29Å; T254-I256 PolarHBondContact O-N 2.82Å
255E92.5Very high84.1Confident151 Ų15182.9 Ų82.971%0.70643%0.434SS*.  trans-53.7137.1169.5-65.7-61.8166.600110.7K183K183-E255 WeakPolarHBondContact CD-OE2 3.41Å; K183-E255 IonicContact NZ-OE1 3.53Å; K183-E255 PolarHBondContact NZ-OE1 3.15Å; K183-E255 IonicContact NZ-OE2 3.77Å; K183-E255 PolarHBondContact NZ-OE2 3.25Å
256I90.5Very high84Confident42 Ų4283.6 Ų83.622%0.21543%0.43CS..  trans-113.5148.117463.7168.7000108.5P179 K183 T254 E258P179-I256 HydrophobicContact CB-CG2 3.76Å; P179-I256 HydrophobicContact CG-CB 4.45Å; P179-I256 HydrophobicContact CG-CG2 4.2Å; K183-I256 HydrophobicContact CB-CD1 4.28Å; K183-I256 HydrophobicContact CB-CG1 4.07Å; K183-I256 HydrophobicContact CB-CG2 4.39Å; K183-I256 WeakPolarHBondContact O-CD1 3.38Å; T254-I256 PolarHBondContact O-N 2.82Å; I256-E258 PolarHBondContact O-N 3.02Å
257T82.9Confident84Confident104 Ų10483.6 Ų83.664%0.63843%0.429SS*.PPolyproline II helixtrans-75.9119.7163.4-54.90000106.5
258E72.1Confident84.1Confident122 Ų12283.8 Ų83.857%0.5743%0.431SS*.PPolyproline II helixtrans-60.4136.6171.7-74-161.2177.900108.9I256 K261I256-E258 PolarHBondContact O-N 3.02Å; E258-K261 IonicContact OE1-NZ 2.82Å; E258-K261 WeakPolarHBondContact OE2-CE 3.44Å; E258-K261 IonicContact OE2-NZ 2.64Å; E258-K261 PolarHBondContact OE2-NZ 2.87Å
259P67.7Low84.3Confident78 Ų7881 Ų8151%0.50642%0.416SS..PPolyproline II helixtrans-57.3145.1172.424.6-31.6000108.8K261P259-K261 PolarHBondContact O-N 3.31Å
260P65.2Low84.4Confident43 Ų4378.5 Ų78.528%0.27940%0.395SS..  trans-59.2110.2-178.822.9-32.9000108.4E3 Y4 F262E3-P260 WeakPolarHBondContact OE2-CD 3.48Å; Y4-P260 HydrophobicContact CE2-CG 4.2Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 HydrophobicContact CB-CD2 4Å; P260-F262 HydrophobicContact CB-CE2 3.55Å; P260-F262 HydrophobicContact CB-CZ 3.98Å; P260-F262 HydrophobicContact CG-CD2 4.38Å; P260-F262 HydrophobicContact CG-CE2 3.78Å; P260-F262 HydrophobicContact CG-CZ 4.48Å; P260-F262 PolarHBondContact O-N 3.34Å; P260-F262 VanDerWaalsContact O-N 3.12Å
261K62.6Low84.6Confident153 Ų15375.6 Ų75.667%0.66538%0.381SS*.  trans-78.292.4166.5-66.5176.4-176.9151.10105E258 P259 D263E258-K261 IonicContact OE1-NZ 2.82Å; E258-K261 WeakPolarHBondContact OE2-CE 3.44Å; E258-K261 IonicContact OE2-NZ 2.64Å; E258-K261 PolarHBondContact OE2-NZ 2.87Å; P259-K261 PolarHBondContact O-N 3.31Å; K261-D263 VanDerWaalsContact C-N 3.28Å; K261-D263 PolarHBondContact O-N 2.91Å
262F61.4Low84.6Confident66 Ų6675.3 Ų75.329%0.28938%0.38SS..  trans-72.497.4165.9-70.4-72.6000106.4L127 P260 D336 H337 L339L127-F262 HydrophobicContact CD1-CD2 4.08Å; L127-F262 HydrophobicContact CD1-CE2 3.66Å; L127-F262 HydrophobicContact CD2-CD2 3.6Å; L127-F262 HydrophobicContact CD2-CE2 4Å; L127-F262 HydrophobicContact CG-CE2 4.5Å; P260-F262 VanDerWaalsContact C-N 3.3Å; P260-F262 HydrophobicContact CB-CD2 4Å; P260-F262 HydrophobicContact CB-CE2 3.55Å; P260-F262 HydrophobicContact CB-CZ 3.98Å; P260-F262 HydrophobicContact CG-CD2 4.38Å; P260-F262 HydrophobicContact CG-CE2 3.78Å; P260-F262 HydrophobicContact CG-CZ 4.48Å; P260-F262 PolarHBondContact O-N 3.34Å; P260-F262 VanDerWaalsContact O-N 3.12Å; F262-D336 VanDerWaalsContact CD1-O 3.23Å; F262-D336 WeakPolarHBondContact CD1-O 3.5Å; F262-D336 WeakPolarHBondContact CE1-O 3.26Å; F262-H337 HydrophobicContact CD1-CB 3.74Å; F262-H337 HydrophobicContact CE1-CB 4.29Å; F262-H337 HydrophobicContact CG-CB 4.34Å; F262-L339 HydrophobicContact CE2-CB 4.41Å; F262-L339 HydrophobicContact CZ-CB 4.49Å
263D64.1Low84.8Confident140 Ų14072.6 Ų72.675%0.74936%0.362SS*.  trans-50.1145.9156.7-78.9-28.3000107.5K261 G265K261-D263 VanDerWaalsContact C-N 3.28Å; K261-D263 PolarHBondContact O-N 2.91Å; D263-G265 PolarHBondContact O-N 3.46Å
264R78.6Confident84.8Confident220 Ų22069.3 Ų69.383%0.8335%0.345SS*.  trans-52.6114.2179.2-76.3-174.9178-177-1.5107.9
265G86.1Confident84.8Confident8 Ų872.4 Ų72.48%0.08235%0.354CS..PPolyproline II helixtrans-60.4172.5178.300000111.6D263 K267 G305 H337D263-G265 PolarHBondContact O-N 3.46Å; G265-K267 PolarHBondContact O-N 3.2Å; G265-G305 VanDerWaalsContact C-CA 3.47Å; G265-G305 WeakPolarHBondContact CA-O 3.49Å; G265-G305 PolarHBondContact N-O 3.18Å; G265-G305 VanDerWaalsContact O-CA 3.27Å; G265-G305 WeakPolarHBondContact O-CA 3.45Å; G265-H337 WeakPolarHBondContact CA-ND1 3.49Å
266T90.5Very high84.7Confident57 Ų5768.8 Ų68.835%0.3535%0.345SS..PPolyproline II helixtrans-72.2127.3179.9-55.80000110.6K286 D287T266-K286 HydrophobicContact CG2-CD 4.33Å; T266-K286 HydrophobicContact CG2-CG 3.97Å; T266-D287 WeakPolarHBondContact CG2-OD1 3.37Å
267K95.1Very high84.7Confident75 Ų7570.1 Ų70.133%0.32637%0.37SS..PPolyproline II helixtrans-64.9137.6173.1-64.9179.3173-177.90110.4G265 D287 L289 D303 E359G265-K267 PolarHBondContact O-N 3.2Å; K267-D287 PolarHBondContact O-N 2.92Å; K267-L289 HydrophobicContact CB-CD2 4.16Å; K267-L289 HydrophobicContact CB-CG 4.28Å; K267-L289 HydrophobicContact CD-CD1 4.34Å; K267-L289 HydrophobicContact CD-CG 4.28Å; K267-D303 CarbonylContact C-O 3.51Å; K267-D303 VanDerWaalsContact CA-O 3.22Å; K267-D303 WeakPolarHBondContact CA-O 3.34Å; K267-E359 IonicContact NZ-OE1 2.93Å; K267-E359 PolarHBondContact NZ-OE1 2.73Å
268A97Very high85.1Confident5 Ų571.5 Ų71.54%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-156.9153.8174.700000112.2L283 C285 D303A268-L283 HydrophobicContact CB-CD1 4.07Å; A268-C285 WeakPolarHBondContact CA-O 3.48Å; A268-D303 PolarHBondContact N-O 2.98Å; A268-D303 WeakPolarHBondContact O-CB 3.27Å; A268-D303 PolarHBondContact O-N 3.18Å
269V97.9Very high86.1Confident0 Ų067.6 Ų67.60%035%0.352CS..EExtended strand (participates in β ladder)trans-116.7125.7162.9-1750000109.1I284 C285 L289 V293 I294 Y300 F301 I302V269-I284 PolarHBondContact O-N 2.89Å; V269-C285 WeakPolarHBondContact CB-SG 3.41Å; V269-C285 WeakPolarHBondContact CG2-SG 3.5Å; V269-C285 PolarHBondContact N-O 2.68Å; V269-C285 PolarHBondContact O-N 2.9Å; V269-L289 HydrophobicContact CG2-CD2 3.61Å; V269-V293 HydrophobicContact CB-CG2 4.22Å; V269-V293 HydrophobicContact CG1-CG2 4Å; V269-V293 HydrophobicContact CG2-CG2 4.24Å; V269-I294 HydrophobicContact CG1-CD1 3.78Å; V269-Y300 HydrophobicContact CG1-CD1 4.23Å; V269-F301 CarbonylContact C-O 3.57Å; V269-F301 VanDerWaalsContact CA-O 3.27Å; V269-F301 WeakPolarHBondContact CA-O 3.46Å; V269-I302 HydrophobicContact CG1-CG1 4.47Å
270H97.9Very high87.4Confident29 Ų2969.8 Ų69.813%0.13435%0.353CS..EExtended strand (participates in β ladder)trans-112.4151.8168.9-59.171.7000110.5L281 S282 L283 Y300 F301 Y331H270-L281 HydrophobicContact CB-CD1 3.66Å; H270-L281 HydrophobicContact CB-CD2 4.48Å; H270-L281 HydrophobicContact CB-CG 3.98Å; H270-S282 CarbonylContact C-O 3.54Å; H270-S282 WeakPolarHBondContact CA-O 3.22Å; H270-S282 WeakPolarHBondContact CB-O 3.23Å; H270-L283 WeakPolarHBondContact NE2-CD1 3.47Å; H270-Y300 CarbonylContact O-C 3.45Å; H270-Y300 WeakPolarHBondContact O-CA 3.25Å; H270-F301 HydrophobicContact CB-CB 4.18Å; H270-F301 PolarHBondContact N-O 2.94Å; H270-F301 PolarHBondContact O-N 3.3Å; H270-Y331 AromaticContact CE1-CE2 3.19Å; H270-Y331 WeakPolarHBondContact CE1-CE2 3.23Å; H270-Y331 AromaticContact CE1-CZ 3.71Å; H270-Y331 AromaticContact ND1-CE2 3.48Å; H270-Y331 WeakPolarHBondContact ND1-CE2 3.45Å; H270-Y331 AromaticContact ND1-CZ 3.8Å; H270-Y331 AromaticContact NE2-CE2 3.7Å
271R97.9Very high89Confident49 Ų4970.3 Ų70.319%0.18535%0.353CS..EExtended strand (participates in β ladder)trans-113.7126.5174.4-173.3-178.875.1139.8-5.2108.9E275 L281 S282 I284 D298 Y300R271-E275 IonicContact CZ-OE1 2.72Å; R271-E275 IonicContact CZ-OE2 2.95Å; R271-E275 IonicContact NH1-OE1 2.62Å; R271-E275 IonicContact NH1-OE2 2.86Å; R271-E275 PolarHBondContact NH1-OE2 2.91Å; R271-E275 IonicContact NH2-OE1 2.92Å; R271-E275 PolarHBondContact NH2-OE1 2.8Å; R271-E275 IonicContact NH2-OE2 3.33Å; R271-E275 PolarHBondContact NH2-OE2 3.2Å; R271-L281 CarbonylContact O-C 3.59Å; R271-L281 WeakPolarHBondContact O-CA 3.09Å; R271-S282 PolarHBondContact N-O 2.7Å; R271-S282 PolarHBondContact O-N 2.77Å; R271-S282 PolarHBondContact O-OG 3.35Å; R271-I284 HydrophobicContact CB-CD1 3.74Å; R271-I284 HydrophobicContact CB-CG1 3.65Å; R271-D298 VanDerWaalsContact CD-OD2 3.23Å; R271-D298 WeakPolarHBondContact CD-OD2 3.37Å; R271-D298 HydrophobicContact CG-CB 3.85Å; R271-D298 IonicContact CZ-OD2 3.75Å; R271-D298 IonicContact NE-OD2 2.7Å; R271-D298 IonicContact NH1-OD2 2.68Å; R271-D298 PolarHBondContact NH1-OD2 3.03Å; R271-Y300 HydrophobicContact CB-CD1 4.15Å; R271-Y300 HydrophobicContact CB-CE1 4.01Å; R271-Y300 HydrophobicContact CG-CD1 4.19Å; R271-Y300 HydrophobicContact CG-CE1 3.74Å
272L96.9Very high90.6Very high0 Ų064.6 Ų64.60%033%0.333CS..EExtended strand (participates in β ladder)trans-102.1111.4172.7-176.577.6000107.4I279 K280 L281 V299 F301 N323 N327L272-I279 HydrophobicContact CD1-CG2 3.53Å; L272-I279 HydrophobicContact CG-CG2 4.12Å; L272-K280 WeakPolarHBondContact CA-O 3.44Å; L272-L281 HydrophobicContact CB-CD1 3.94Å; L272-L281 HydrophobicContact CD1-CB 4.12Å; L272-L281 HydrophobicContact CD1-CD1 4.08Å; L272-V299 HydrophobicContact CB-CB 4.09Å; L272-V299 HydrophobicContact CB-CG1 4.3Å; L272-V299 HydrophobicContact CD2-CB 4.36Å; L272-V299 HydrophobicContact CD2-CG1 4.3Å; L272-V299 PolarHBondContact N-O 2.89Å; L272-V299 PolarHBondContact O-N 3.21Å; L272-F301 HydrophobicContact CB-CZ 4.41Å; L272-F301 HydrophobicContact CD2-CE1 4.45Å; L272-F301 HydrophobicContact CD2-CZ 4.13Å; L272-N323 HydrophobicContact CD2-CB 4.49Å; L272-N327 HydrophobicContact CD1-CB 3.93Å; L272-N327 HydrophobicContact CD2-CB 4.06Å
273S96.9Very high92.3Very high4 Ų466.1 Ų66.13%0.02834%0.343CS..EExtended strand (participates in β ladder)trans-137.7149.7-175.4-174.80000111.3E275 K280 D298 E320S273-E275 PolarHBondContact OG-N 2.86Å; S273-K280 PolarHBondContact N-O 2.89Å; S273-K280 PolarHBondContact O-N 2.95Å; S273-D298 WeakPolarHBondContact CB-OD1 3.27Å; S273-D298 PolarHBondContact OG-OD1 3.42Å; S273-E320 WeakPolarHBondContact CA-OE1 3.37Å; S273-E320 PolarHBondContact OG-OE1 2.99Å
274D94.5Very high93.9Very high37 Ų3762.7 Ų62.720%0.19833%0.325CS..  trans-103.911.5171.468.222.4000114.3S276 G277 I279 S317 E320D274-S276 PolarHBondContact O-N 2.89Å; D274-G277 WeakPolarHBondContact O-CA 3.44Å; D274-G277 PolarHBondContact O-N 2.9Å; D274-I279 HydrophobicContact CB-CD1 3.81Å; D274-I279 HydrophobicContact CB-CG1 4.3Å; D274-S317 VanDerWaalsContact OD2-CB 3.24Å; D274-S317 WeakPolarHBondContact OD2-CB 3.3Å; D274-S317 PolarHBondContact OD2-OG 3.28Å; D274-E320 HydrophobicContact CB-CG 4.34Å; D274-E320 PolarHBondContact N-OE1 3.28Å
275E93.1Very high94.7Very high137 Ų13753.4 Ų53.464%0.6429%0.293SS*.THydrogen-bonded Turntrans-53.2-26-177.567.4179.1-162.200114.4R271 S273 G277R271-E275 IonicContact CZ-OE1 2.72Å; R271-E275 IonicContact CZ-OE2 2.95Å; R271-E275 IonicContact NH1-OE1 2.62Å; R271-E275 IonicContact NH1-OE2 2.86Å; R271-E275 PolarHBondContact NH1-OE2 2.91Å; R271-E275 IonicContact NH2-OE1 2.92Å; R271-E275 PolarHBondContact NH2-OE1 2.8Å; R271-E275 IonicContact NH2-OE2 3.33Å; R271-E275 PolarHBondContact NH2-OE2 3.2Å; S273-E275 PolarHBondContact OG-N 2.86Å; E275-G277 VanDerWaalsContact C-N 3.31Å
276S90.4Very high95.2Very high75 Ų7558.6 Ų58.652%0.52431%0.313SS..THydrogen-bonded Turntrans-83.5-0.8176.751.50000114.6D274 E278D274-S276 PolarHBondContact O-N 2.89Å; S276-E278 PolarHBondContact OG-O 3.08Å
277G90.1Very high95.3Very high71 Ų7160.8 Ų60.873%0.73232%0.323SS*.SBendtrans90.1-1.9-172.900000114.4D274 E275D274-G277 WeakPolarHBondContact O-CA 3.44Å; D274-G277 PolarHBondContact O-N 2.9Å; E275-G277 VanDerWaalsContact C-N 3.31Å
278E91.9Very high95.3Very high132 Ų13260.4 Ų60.462%0.61733%0.327SS*.SBendtrans-141.6147.917464.5-178.217300109.5S276 K280S276-E278 PolarHBondContact OG-O 3.08Å; E278-K280 PolarHBondContact O-N 2.92Å
279I92.8Very high95.2Very high41 Ų4160.2 Ų60.221%0.2133%0.325CS..  trans-64.9121.2177.7-71.2-76.7000109.3L272 D274 Q319 E320 N323L272-I279 HydrophobicContact CD1-CG2 3.53Å; L272-I279 HydrophobicContact CG-CG2 4.12Å; D274-I279 HydrophobicContact CB-CD1 3.81Å; D274-I279 HydrophobicContact CB-CG1 4.3Å; I279-Q319 HydrophobicContact CD1-CB 4.38Å; I279-Q319 HydrophobicContact CD1-CG 3.93Å; I279-Q319 HydrophobicContact CG1-CG 3.8Å; I279-E320 HydrophobicContact CD1-CB 4.36Å; I279-E320 HydrophobicContact CD1-CG 3.8Å; I279-N323 HydrophobicContact CD1-CB 4.4Å; I279-N323 HydrophobicContact CG1-CB 4.47Å; I279-N323 HydrophobicContact CG2-CB 4.31Å
280K95.5Very high95.1Very high123 Ų12361.6 Ų61.654%0.53533%0.334SS..EExtended strand (participates in β ladder)trans-133.5132.5-178.6-173.6177-179.7179.20111.1L272 S273 E278L272-K280 WeakPolarHBondContact CA-O 3.44Å; S273-K280 PolarHBondContact N-O 2.89Å; S273-K280 PolarHBondContact O-N 2.95Å; E278-K280 PolarHBondContact O-N 2.92Å
281L96.9Very high94.9Very high54 Ų5465 Ų6528%0.28335%0.345SS..EExtended strand (participates in β ladder)trans-94.6120.5170.6-169.669.8000109.6H270 R271 L272 F301 Y331H270-L281 HydrophobicContact CB-CD1 3.66Å; H270-L281 HydrophobicContact CB-CD2 4.48Å; H270-L281 HydrophobicContact CB-CG 3.98Å; R271-L281 CarbonylContact O-C 3.59Å; R271-L281 WeakPolarHBondContact O-CA 3.09Å; L272-L281 HydrophobicContact CB-CD1 3.94Å; L272-L281 HydrophobicContact CD1-CB 4.12Å; L272-L281 HydrophobicContact CD1-CD1 4.08Å; L281-F301 HydrophobicContact CD1-CD2 3.54Å; L281-F301 HydrophobicContact CD1-CE2 3.51Å; L281-F301 HydrophobicContact CD1-CG 4.3Å; L281-F301 HydrophobicContact CD1-CZ 4.25Å; L281-F301 HydrophobicContact CD2-CD2 4.09Å; L281-F301 HydrophobicContact CD2-CE2 3.99Å; L281-F301 HydrophobicContact CG-CD2 4.48Å; L281-F301 HydrophobicContact CG-CE2 4.42Å; L281-Y331 HydrophobicContact CD2-CD2 4.05Å; L281-Y331 HydrophobicContact CD2-CG 4.34Å
282S96.8Very high94.7Very high34 Ų3467.9 Ų67.924%0.23837%0.373CS..EExtended strand (participates in β ladder)trans-120136.4177.2580000112H270 R271 I284H270-S282 CarbonylContact C-O 3.54Å; H270-S282 WeakPolarHBondContact CA-O 3.22Å; H270-S282 WeakPolarHBondContact CB-O 3.23Å; R271-S282 PolarHBondContact N-O 2.7Å; R271-S282 PolarHBondContact O-N 2.77Å; R271-S282 PolarHBondContact O-OG 3.35Å; S282-I284 PolarHBondContact O-N 2.73Å
283L97.5Very high94.6Very high97 Ų9769.6 Ų69.651%0.50838%0.384SS..EExtended strand (participates in β ladder)trans-70.3126.2170.7177.668.2000109.5A268 H270 C285A268-L283 HydrophobicContact CB-CD1 4.07Å; H270-L283 WeakPolarHBondContact NE2-CD1 3.47Å; L283-C285 VanDerWaalsContact CD1-O 3.28Å; L283-C285 WeakPolarHBondContact CD1-O 3.09Å
284I97.4Very high94.4Very high69 Ų6970.2 Ų70.235%0.35439%0.387SS..EExtended strand (participates in β ladder)trans-101.2-46.7178.5-55.8-59.7000110.9V269 R271 S282 V293V269-I284 PolarHBondContact O-N 2.89Å; R271-I284 HydrophobicContact CB-CD1 3.74Å; R271-I284 HydrophobicContact CB-CG1 3.65Å; S282-I284 PolarHBondContact O-N 2.73Å; I284-V293 HydrophobicContact CG2-CB 3.8Å; I284-V293 HydrophobicContact CG2-CG1 3.98Å; I284-V293 HydrophobicContact CG2-CG2 4.21Å
285C95.8Very high94.3Very high24 Ų2470.1 Ų70.116%0.16239%0.388CS..EExtended strand (participates in β ladder)trans-150.7158.3176.261.10000111.3A268 V269 L283 V288 P290A268-C285 WeakPolarHBondContact CA-O 3.48Å; V269-C285 WeakPolarHBondContact CB-SG 3.41Å; V269-C285 WeakPolarHBondContact CG2-SG 3.5Å; V269-C285 PolarHBondContact N-O 2.68Å; V269-C285 PolarHBondContact O-N 2.9Å; L283-C285 VanDerWaalsContact CD1-O 3.28Å; L283-C285 WeakPolarHBondContact CD1-O 3.09Å; C285-V288 PolarHBondContact SG-O 3.3Å; C285-V288 VanDerWaalsContact SG-O 3.36Å; C285-P290 VanDerWaalsContact SG-CD 3.58Å
286K95.5Very high94.3Very high118 Ų11866.5 Ų66.551%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-132.8150-178.3-167.5-178.9176.4179.40108.7T266 V288T266-K286 HydrophobicContact CG2-CD 4.33Å; T266-K286 HydrophobicContact CG2-CG 3.97Å; K286-V288 PolarHBondContact O-N 3.43Å
287D94Very high94.5Very high102 Ų10266.7 Ų66.755%0.54537%0.367SS..SBendtrans66.9-18.5177.6-53.4-51.1000115.9T266 K267T266-D287 WeakPolarHBondContact CG2-OD1 3.37Å; K267-D287 PolarHBondContact O-N 2.92Å
288V94.3Very high94.7Very high68 Ų6863.9 Ų63.941%0.41234%0.335SS..  trans-129.5146.6178.5-168.90000108.6C285 K286 P290 E359C285-V288 PolarHBondContact SG-O 3.3Å; C285-V288 VanDerWaalsContact SG-O 3.36Å; K286-V288 PolarHBondContact O-N 3.43Å; V288-P290 VanDerWaalsContact O-CD 3.25Å; V288-P290 WeakPolarHBondContact O-CD 3.46Å; V288-E359 HydrophobicContact CG1-CB 4.46Å; V288-E359 WeakPolarHBondContact CG1-OE2 3.2Å
289L95.6Very high94.9Very high1 Ų157.6 Ų57.61%0.00531%0.305CS..  trans-117.760-179.4-58.1178.9000112.1K267 V269 R291 I302 D303 N304 I357 L358 E359K267-L289 HydrophobicContact CB-CD2 4.16Å; K267-L289 HydrophobicContact CB-CG 4.28Å; K267-L289 HydrophobicContact CD-CD1 4.34Å; K267-L289 HydrophobicContact CD-CG 4.28Å; V269-L289 HydrophobicContact CG2-CD2 3.61Å; L289-R291 PolarHBondContact O-N 2.8Å; L289-I302 HydrophobicContact CD1-CG2 4.18Å; L289-I302 HydrophobicContact CD2-CG2 4.31Å; L289-D303 WeakPolarHBondContact CD2-O 3.35Å; L289-N304 HydrophobicContact CD1-CB 3.93Å; L289-I357 HydrophobicContact CD1-CG2 4.12Å; L289-L358 HydrophobicContact CB-CD2 4.2Å; L289-L358 CarbonylContact O-C 3.58Å; L289-L358 VanDerWaalsContact O-CA 3.29Å; L289-L358 WeakPolarHBondContact O-CA 3.17Å; L289-L358 WeakPolarHBondContact O-CD2 3.33Å; L289-E359 PolarHBondContact O-N 3.43Å
290P95.2Very high95.1Very high28 Ų2856.1 Ų56.118%0.18230%0.298CS..  trans-62.4130.5-173.326.6-34.2000112C285 V288 S292 V293 E359C285-P290 VanDerWaalsContact SG-CD 3.58Å; V288-P290 VanDerWaalsContact O-CD 3.25Å; V288-P290 WeakPolarHBondContact O-CD 3.46Å; P290-S292 PolarHBondContact O-N 3.39Å; P290-S292 VanDerWaalsContact O-N 3.11Å; P290-V293 HydrophobicContact CG-CG1 3.72Å; P290-V293 HydrophobicContact CG-CG2 4.11Å; P290-V293 WeakPolarHBondContact O-CG2 3.24Å; P290-V293 PolarHBondContact O-N 3.12Å; P290-E359 WeakPolarHBondContact CA-O 3.48Å
291R92.9Very high95.2Very high100 Ų10050.3 Ų50.338%0.37727%0.272SS..G310 helixtrans-57.9-29.9176.9-176.7177.5-178.288.8-4.1113.3L289 V293 I294 N355 L358 E359L289-R291 PolarHBondContact O-N 2.8Å; R291-V293 PolarHBondContact O-N 3.38Å; R291-I294 PolarHBondContact O-N 3.48Å; R291-N355 PolarHBondContact NH1-OD1 3.39Å; R291-L358 HydrophobicContact CB-CB 4.14Å; R291-L358 HydrophobicContact CB-CD1 4.24Å; R291-L358 HydrophobicContact CG-CD1 4.1Å; R291-E359 PolarHBondContact N-O 2.87Å
292S93.9Very high95.2Very high111 Ų11147.7 Ų47.778%0.77626%0.259SS*.G310 helixtrans-66.3-16-175.156.40000114.9P290P290-S292 PolarHBondContact O-N 3.39Å; P290-S292 VanDerWaalsContact O-N 3.11Å
293V94.8Very high95.2Very high36 Ų3646.1 Ų46.122%0.21825%0.247CC..G310 helixtrans-88.7-9.8179.1-55.10000113.5V269 I284 P290 R291 Y300V269-V293 HydrophobicContact CB-CG2 4.22Å; V269-V293 HydrophobicContact CG1-CG2 4Å; V269-V293 HydrophobicContact CG2-CG2 4.24Å; I284-V293 HydrophobicContact CG2-CB 3.8Å; I284-V293 HydrophobicContact CG2-CG1 3.98Å; I284-V293 HydrophobicContact CG2-CG2 4.21Å; P290-V293 HydrophobicContact CG-CG1 3.72Å; P290-V293 HydrophobicContact CG-CG2 4.11Å; P290-V293 WeakPolarHBondContact O-CG2 3.24Å; P290-V293 PolarHBondContact O-N 3.12Å; R291-V293 PolarHBondContact O-N 3.38Å; V293-Y300 WeakPolarHBondContact O-CE1 3.38Å
294I93.3Very high95.1Very high17 Ų1743 Ų439%0.08723%0.231CC..  trans-92.5118.7178-49.4-66000108.4V269 R291 Y300 I302 Y311 M351 L358V269-I294 HydrophobicContact CG1-CD1 3.78Å; R291-I294 PolarHBondContact O-N 3.48Å; I294-Y300 HydrophobicContact CD1-CD1 3.85Å; I294-Y300 HydrophobicContact CD1-CG 3.83Å; I294-Y300 HydrophobicContact CG2-CD2 4.11Å; I294-Y300 HydrophobicContact CG2-CG 4.29Å; I294-I302 HydrophobicContact CD1-CD1 3.76Å; I294-I302 HydrophobicContact CD1-CG1 3.58Å; I294-I302 HydrophobicContact CG1-CD1 4.34Å; I294-Y311 HydrophobicContact CG2-CD1 3.53Å; I294-Y311 HydrophobicContact CG2-CE1 3.73Å; I294-Y311 HydrophobicContact CG2-CG 4.24Å; I294-M351 HydrophobicContact CG2-SD 4.08Å; I294-L358 HydrophobicContact CG1-CD1 4.31Å; I294-L358 HydrophobicContact CG1-CD2 4.32Å
295S92.3Very high94.9Very high34 Ų3439.8 Ų39.824%0.23822%0.215CC..  trans-114.6-179.4171.6870000111.1D297 Y300 Y311S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 WeakPolarHBondContact CB-OD2 3.37Å; S295-D297 VanDerWaalsContact OG-CG 3.26Å; S295-D297 PolarHBondContact OG-N 2.98Å; S295-D297 PolarHBondContact OG-OD2 3.21Å; S295-Y300 PolarHBondContact N-OH 3.21Å; S295-Y300 VanDerWaalsContact O-CE2 3.32Å; S295-Y300 WeakPolarHBondContact O-CE2 3.4Å; S295-Y300 PolarHBondContact OG-OH 3.04Å; S295-Y311 VanDerWaalsContact O-CE1 3.29Å; S295-Y311 WeakPolarHBondContact O-CE1 3.17Å
296Q93Very high94.7Very high62 Ų6241.4 Ų41.429%0.2923%0.227SC..SBendtrans-88.4-1177.1-65.2-173.8-8.300113.2G313 D314 Q315 C316Q296-G313 CarbonylContact O-C 3.56Å; Q296-G313 VanDerWaalsContact O-C 3.22Å; Q296-G313 VanDerWaalsContact O-CA 3.22Å; Q296-G313 WeakPolarHBondContact O-CA 2.96Å; Q296-D314 PolarHBondContact O-N 3.25Å; Q296-Q315 HydrophobicContact CB-CG 4.2Å; Q296-Q315 CarbonylContact O-C 3.58Å; Q296-Q315 WeakPolarHBondContact O-CA 3.44Å; Q296-Q315 WeakPolarHBondContact O-CB 3.3Å; Q296-Q315 PolarHBondContact O-N 3.02Å; Q296-C316 PolarHBondContact O-N 3.42Å
297D94.3Very high94.6Very high78 Ų7836.5 Ų36.542%0.41721%0.206SC..SBendtrans-91.7-18.3-161.1-43.3-43000113.1S295 Q315 C316S295-D297 VanDerWaalsContact C-N 3.32Å; S295-D297 WeakPolarHBondContact CB-OD2 3.37Å; S295-D297 VanDerWaalsContact OG-CG 3.26Å; S295-D297 PolarHBondContact OG-N 2.98Å; S295-D297 PolarHBondContact OG-OD2 3.21Å; D297-Q315 PolarHBondContact OD1-OE1 2.87Å; D297-C316 VanDerWaalsContact O-CA 3.26Å; D297-C316 WeakPolarHBondContact O-CA 3.46Å
298D95.7Very high94.7Very high12 Ų1231.7 Ų31.76%0.06418%0.18CC..SBendtrans-139.9-179-172.8-70.6-54.9000110.5R271 S273 Y300 G313R271-D298 VanDerWaalsContact CD-OD2 3.23Å; R271-D298 WeakPolarHBondContact CD-OD2 3.37Å; R271-D298 HydrophobicContact CG-CB 3.85Å; R271-D298 IonicContact CZ-OD2 3.75Å; R271-D298 IonicContact NE-OD2 2.7Å; R271-D298 IonicContact NH1-OD2 2.68Å; R271-D298 PolarHBondContact NH1-OD2 3.03Å; S273-D298 WeakPolarHBondContact CB-OD1 3.27Å; S273-D298 PolarHBondContact OG-OD1 3.42Å; D298-Y300 HydrophobicContact CB-CE2 3.91Å; D298-G313 PolarHBondContact O-N 2.69Å; D298-G313 VanDerWaalsContact O-N 3.17Å
299V95.9Very high94.8Very high0 Ų030.2 Ų30.20%017%0.167CC..EExtended strand (participates in β ladder)trans-94.9136.5167.9173.80000109.9L272 F301 V310 Y311 I312 C316 E320 A324L272-V299 HydrophobicContact CB-CB 4.09Å; L272-V299 HydrophobicContact CB-CG1 4.3Å; L272-V299 HydrophobicContact CD2-CB 4.36Å; L272-V299 HydrophobicContact CD2-CG1 4.3Å; L272-V299 PolarHBondContact N-O 2.89Å; L272-V299 PolarHBondContact O-N 3.21Å; V299-F301 HydrophobicContact CG1-CD1 4.2Å; V299-F301 HydrophobicContact CG1-CE1 3.77Å; V299-V310 HydrophobicContact CG1-CG1 3.94Å; V299-Y311 CarbonylContact C-O 3.6Å; V299-Y311 WeakPolarHBondContact CA-O 3.46Å; V299-I312 HydrophobicContact CG1-CG1 4.32Å; V299-I312 HydrophobicContact CG2-CB 4.41Å; V299-I312 HydrophobicContact CG2-CG1 4.11Å; V299-I312 HydrophobicContact CG2-CG2 4.19Å; V299-C316 HydrophobicContact CG2-CB 4.35Å; V299-E320 HydrophobicContact CG2-CB 3.93Å; V299-A324 HydrophobicContact CG1-CB 3.88Å; V299-A324 HydrophobicContact CG2-CB 4.35Å
300Y96.9Very high94.8Very high11 Ų1130.1 Ų30.14%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-123.3131.5-178.9-65.2-93.8000111.7V269 H270 R271 V293 I294 S295 D298 V310 Y311V269-Y300 HydrophobicContact CG1-CD1 4.23Å; H270-Y300 CarbonylContact O-C 3.45Å; H270-Y300 WeakPolarHBondContact O-CA 3.25Å; R271-Y300 HydrophobicContact CB-CD1 4.15Å; R271-Y300 HydrophobicContact CB-CE1 4.01Å; R271-Y300 HydrophobicContact CG-CD1 4.19Å; R271-Y300 HydrophobicContact CG-CE1 3.74Å; V293-Y300 WeakPolarHBondContact O-CE1 3.38Å; I294-Y300 HydrophobicContact CD1-CD1 3.85Å; I294-Y300 HydrophobicContact CD1-CG 3.83Å; I294-Y300 HydrophobicContact CG2-CD2 4.11Å; I294-Y300 HydrophobicContact CG2-CG 4.29Å; S295-Y300 PolarHBondContact N-OH 3.21Å; S295-Y300 VanDerWaalsContact O-CE2 3.32Å; S295-Y300 WeakPolarHBondContact O-CE2 3.4Å; S295-Y300 PolarHBondContact OG-OH 3.04Å; D298-Y300 HydrophobicContact CB-CE2 3.91Å; Y300-V310 CarbonylContact O-C 3.55Å; Y300-V310 WeakPolarHBondContact O-CA 3.44Å; Y300-Y311 AromaticContact CD2-CD1 4Å; Y300-Y311 HydrophobicContact CD2-CD1 4Å; Y300-Y311 PolarHBondContact N-O 2.8Å; Y300-Y311 PolarHBondContact O-N 2.81Å
301F97.2Very high94.8Very high0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-99.4105.3172.9-65.7-2.8000108V269 H270 L272 L281 V299 L308 V310 A324 N327 A328 Y331V269-F301 CarbonylContact C-O 3.57Å; V269-F301 VanDerWaalsContact CA-O 3.27Å; V269-F301 WeakPolarHBondContact CA-O 3.46Å; H270-F301 HydrophobicContact CB-CB 4.18Å; H270-F301 PolarHBondContact N-O 2.94Å; H270-F301 PolarHBondContact O-N 3.3Å; L272-F301 HydrophobicContact CB-CZ 4.41Å; L272-F301 HydrophobicContact CD2-CE1 4.45Å; L272-F301 HydrophobicContact CD2-CZ 4.13Å; L281-F301 HydrophobicContact CD1-CD2 3.54Å; L281-F301 HydrophobicContact CD1-CE2 3.51Å; L281-F301 HydrophobicContact CD1-CG 4.3Å; L281-F301 HydrophobicContact CD1-CZ 4.25Å; L281-F301 HydrophobicContact CD2-CD2 4.09Å; L281-F301 HydrophobicContact CD2-CE2 3.99Å; L281-F301 HydrophobicContact CG-CD2 4.48Å; L281-F301 HydrophobicContact CG-CE2 4.42Å; V299-F301 HydrophobicContact CG1-CD1 4.2Å; V299-F301 HydrophobicContact CG1-CE1 3.77Å; F301-L308 HydrophobicContact CB-CD1 3.9Å; F301-V310 HydrophobicContact CD1-CB 4.41Å; F301-V310 HydrophobicContact CD1-CG1 4.01Å; F301-V310 HydrophobicContact CD1-CG2 4.02Å; F301-V310 HydrophobicContact CE1-CG1 3.83Å; F301-V310 HydrophobicContact CE1-CG2 4.2Å; F301-A324 VanDerWaalsContact CZ-O 3.32Å; F301-A324 WeakPolarHBondContact CZ-O 3.32Å; F301-N327 VanDerWaalsContact CE2-C 3.49Å; F301-N327 HydrophobicContact CE2-CB 3.96Å; F301-N327 HydrophobicContact CZ-CB 3.69Å; F301-A328 HydrophobicContact CE1-CB 4.15Å; F301-A328 HydrophobicContact CE2-CB 4.24Å; F301-A328 HydrophobicContact CZ-CB 3.94Å; F301-A328 VanDerWaalsContact CZ-N 3.3Å; F301-Y331 HydrophobicContact CD2-CD1 4.27Å; F301-Y331 HydrophobicContact CD2-CG 4.09Å
302I97.2Very high94.8Very high0 Ų024.2 Ų24.20%014%0.141CC..EExtended strand (participates in β ladder)trans-101.499-179.9-55.9149.6000107.3V269 L289 I294 Y309 L354 I357 L358V269-I302 HydrophobicContact CG1-CG1 4.47Å; L289-I302 HydrophobicContact CD1-CG2 4.18Å; L289-I302 HydrophobicContact CD2-CG2 4.31Å; I294-I302 HydrophobicContact CD1-CD1 3.76Å; I294-I302 HydrophobicContact CD1-CG1 3.58Å; I294-I302 HydrophobicContact CG1-CD1 4.34Å; I302-Y309 PolarHBondContact N-O 2.91Å; I302-Y309 PolarHBondContact O-N 3.21Å; I302-L354 HydrophobicContact CD1-CD1 3.56Å; I302-L354 HydrophobicContact CD1-CD2 4.02Å; I302-L354 HydrophobicContact CD1-CG 4.39Å; I302-I357 HydrophobicContact CG2-CG2 4.13Å; I302-L358 HydrophobicContact CD1-CD2 4.36Å; I302-L358 HydrophobicContact CG1-CD2 4.45Å; I302-L358 HydrophobicContact CG2-CD2 3.84Å
303D96.7Very high94.8Very high0 Ų019.1 Ų19.10%011%0.106CC..EExtended strand (participates in β ladder)trans-98.1117.5-177.6-171.6-11.2000110K267 A268 L289 G305 L308 Y331 H337K267-D303 CarbonylContact C-O 3.51Å; K267-D303 VanDerWaalsContact CA-O 3.22Å; K267-D303 WeakPolarHBondContact CA-O 3.34Å; A268-D303 PolarHBondContact N-O 2.98Å; A268-D303 WeakPolarHBondContact O-CB 3.27Å; A268-D303 PolarHBondContact O-N 3.18Å; L289-D303 WeakPolarHBondContact CD2-O 3.35Å; D303-G305 WeakPolarHBondContact OD1-CA 3.32Å; D303-G305 PolarHBondContact OD1-N 2.9Å; D303-L308 HydrophobicContact CB-CD1 4.13Å; D303-Y331 HydrophobicContact CB-CE1 4.17Å; D303-Y331 VanDerWaalsContact OD2-CE1 3.31Å; D303-Y331 WeakPolarHBondContact OD2-CE1 3.46Å; D303-Y331 PolarHBondContact OD2-OH 3.33Å; D303-H337 VanDerWaalsContact CG-NE2 3.33Å; D303-H337 IonicContact OD1-CE1 2.86Å; D303-H337 IonicContact OD1-NE2 3.95Å; D303-H337 PolarHBondContact OD1-NE2 2.83Å; D303-H337 IonicContact OD2-CE1 3.5Å; D303-H337 PolarHBondContact OD2-CE1 3.19Å; D303-H337 IonicContact OD2-NE2 3.18Å; D303-H337 PolarHBondContact OD2-NE2 3.05Å
304N94.5Very high94.6Very high32 Ų3221.9 Ų21.917%0.17112%0.119CC..  trans-97.66.4176.981.49.9000113.9L289 S306 H307 I357L289-N304 HydrophobicContact CD1-CB 3.93Å; N304-S306 VanDerWaalsContact C-N 3.27Å; N304-S306 PolarHBondContact O-N 2.84Å; N304-S306 WeakPolarHBondContact OD1-CA 3.42Å; N304-S306 PolarHBondContact OD1-N 2.84Å; N304-S306 PolarHBondContact OD1-OG 2.83Å; N304-H307 PolarHBondContact N-O 2.89Å; N304-H307 VanDerWaalsContact N-O 3.15Å; N304-H307 PolarHBondContact OD1-N 3.39Å; N304-H307 PolarHBondContact OD1-O 3.14Å; N304-I357 HydrophobicContact CB-CG2 4.32Å
305G93Very high94.6Very high1 Ų127.2 Ų27.21%0.0114%0.144CC..SBendtrans83.8-11.2-177.600000115.3G265 D303G265-G305 VanDerWaalsContact C-CA 3.47Å; G265-G305 WeakPolarHBondContact CA-O 3.49Å; G265-G305 PolarHBondContact N-O 3.18Å; G265-G305 VanDerWaalsContact O-CA 3.27Å; G265-G305 WeakPolarHBondContact O-CA 3.45Å; D303-G305 WeakPolarHBondContact OD1-CA 3.32Å; D303-G305 PolarHBondContact OD1-N 2.9Å
306S92.2Very high94.6Very high59 Ų5926.6 Ų26.641%0.41314%0.139SC..SBendtrans-129.7-8.1177.760.80000113.3N304 P341N304-S306 VanDerWaalsContact C-N 3.27Å; N304-S306 PolarHBondContact O-N 2.84Å; N304-S306 WeakPolarHBondContact OD1-CA 3.42Å; N304-S306 PolarHBondContact OD1-N 2.84Å; N304-S306 PolarHBondContact OD1-OG 2.83Å; S306-P341 WeakPolarHBondContact O-CD 3.02Å
307H94.3Very high94.5Very high15 Ų1525.1 Ų25.17%0.06914%0.136CC..  trans-162.7131.9-175.4-161.6126000108N304 Y309 P341 S343N304-H307 PolarHBondContact N-O 2.89Å; N304-H307 VanDerWaalsContact N-O 3.15Å; N304-H307 PolarHBondContact OD1-N 3.39Å; N304-H307 PolarHBondContact OD1-O 3.14Å; H307-Y309 HydrophobicContact CB-CE2 3.73Å; H307-Y309 AromaticContact CD2-CD2 3.89Å; H307-Y309 AromaticContact CD2-CE1 3.75Å; H307-Y309 AromaticContact CD2-CE2 3.52Å; H307-Y309 AromaticContact CD2-CZ 3.43Å; H307-Y309 VanDerWaalsContact CD2-CZ 3.43Å; H307-Y309 AromaticContact CG-CE2 3.67Å; H307-Y309 AromaticContact CG-CZ 3.57Å; H307-Y309 AromaticContact NE2-CE1 3.77Å; H307-Y309 AromaticContact NE2-CZ 3.84Å; H307-P341 PolarHBondContact CD2-O 3.07Å; H307-S343 PolarHBondContact CE1-OG 3.34Å; H307-S343 VanDerWaalsContact CE1-OG 3.3Å; H307-S343 WeakPolarHBondContact NE2-CB 3.09Å; H307-S343 PolarHBondContact NE2-N 3.19Å; H307-S343 PolarHBondContact NE2-OG 3.19Å
308L95.8Very high94.2Very high0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-98.6123.1171.917462.3000110.7F301 D303 V310 A328 Y331 L332 V340 P341 I342 S343F301-L308 HydrophobicContact CB-CD1 3.9Å; D303-L308 HydrophobicContact CB-CD1 4.13Å; L308-V310 HydrophobicContact CD2-CG2 4.26Å; L308-V310 HydrophobicContact CG-CG2 4.21Å; L308-A328 HydrophobicContact CD2-CB 3.87Å; L308-Y331 HydrophobicContact CD1-CD1 4.41Å; L308-Y331 HydrophobicContact CD1-CE1 4.18Å; L308-Y331 HydrophobicContact CD2-CD1 3.99Å; L308-Y331 HydrophobicContact CD2-CE1 4.41Å; L308-L332 HydrophobicContact CB-CD1 4.28Å; L308-L332 HydrophobicContact CB-CD2 4.25Å; L308-L332 HydrophobicContact CD2-CD1 3.81Å; L308-L332 HydrophobicContact CD2-CD2 4.1Å; L308-L332 HydrophobicContact CD2-CG 3.7Å; L308-V340 HydrophobicContact CB-CG2 4.47Å; L308-P341 PolarHBondContact N-O 2.8Å; L308-I342 HydrophobicContact CB-CG1 4.44Å; L308-I342 HydrophobicContact CD2-CG1 4.47Å; L308-I342 CarbonylContact O-C 3.49Å; L308-I342 VanDerWaalsContact O-CA 3.26Å; L308-I342 WeakPolarHBondContact O-CA 3.49Å; L308-S343 PolarHBondContact O-N 2.73Å
309Y95.9Very high93.7Very high37 Ų3729.4 Ų29.415%0.14516%0.155CC..EExtended strand (participates in β ladder)trans-102.8120.6171.6-56.6-96.7000109.4I302 H307 S343 I345 L354 I357I302-Y309 PolarHBondContact N-O 2.91Å; I302-Y309 PolarHBondContact O-N 3.21Å; H307-Y309 HydrophobicContact CB-CE2 3.73Å; H307-Y309 AromaticContact CD2-CD2 3.89Å; H307-Y309 AromaticContact CD2-CE1 3.75Å; H307-Y309 AromaticContact CD2-CE2 3.52Å; H307-Y309 AromaticContact CD2-CZ 3.43Å; H307-Y309 VanDerWaalsContact CD2-CZ 3.43Å; H307-Y309 AromaticContact CG-CE2 3.67Å; H307-Y309 AromaticContact CG-CZ 3.57Å; H307-Y309 AromaticContact NE2-CE1 3.77Å; H307-Y309 AromaticContact NE2-CZ 3.84Å; Y309-S343 CarbonylContact C-O 3.53Å; Y309-S343 WeakPolarHBondContact CA-O 3.24Å; Y309-I345 HydrophobicContact CD1-CD1 4Å; Y309-L354 HydrophobicContact CD1-CD2 3.88Å; Y309-L354 HydrophobicContact CG-CD2 3.81Å; Y309-I357 HydrophobicContact CD1-CD1 3.91Å; Y309-I357 HydrophobicContact CD2-CD1 4Å; Y309-I357 HydrophobicContact CD2-CG2 4.15Å; Y309-I357 HydrophobicContact CE1-CD1 3.38Å; Y309-I357 HydrophobicContact CE2-CD1 3.51Å; Y309-I357 HydrophobicContact CE2-CG1 3.97Å; Y309-I357 HydrophobicContact CE2-CG2 4.06Å; Y309-I357 HydrophobicContact CG-CD1 4.2Å; Y309-I357 WeakPolarHBondContact OH-CD1 3.22Å
310V95.5Very high93.5Very high0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-98.2100.5174.3-179.40000107.3V299 Y300 F301 L308 I312 A324 A328 I342 S343 V344 I345V299-V310 HydrophobicContact CG1-CG1 3.94Å; Y300-V310 CarbonylContact O-C 3.55Å; Y300-V310 WeakPolarHBondContact O-CA 3.44Å; F301-V310 HydrophobicContact CD1-CB 4.41Å; F301-V310 HydrophobicContact CD1-CG1 4.01Å; F301-V310 HydrophobicContact CD1-CG2 4.02Å; F301-V310 HydrophobicContact CE1-CG1 3.83Å; F301-V310 HydrophobicContact CE1-CG2 4.2Å; L308-V310 HydrophobicContact CD2-CG2 4.26Å; L308-V310 HydrophobicContact CG-CG2 4.21Å; V310-I312 HydrophobicContact CG1-CG1 4.24Å; V310-A324 HydrophobicContact CG1-CB 4.02Å; V310-A328 HydrophobicContact CG2-CB 3.59Å; V310-I342 HydrophobicContact CG2-CG2 3.85Å; V310-S343 PolarHBondContact N-O 2.89Å; V310-V344 HydrophobicContact CB-CG2 4.3Å; V310-V344 WeakPolarHBondContact O-CA 3.15Å; V310-I345 PolarHBondContact O-N 3.36Å
311Y95.4Very high93.1Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-88.9123.9175.6175.2-101.5000109.8I294 S295 V299 Y300 I345 M351 L354I294-Y311 HydrophobicContact CG2-CD1 3.53Å; I294-Y311 HydrophobicContact CG2-CE1 3.73Å; I294-Y311 HydrophobicContact CG2-CG 4.24Å; S295-Y311 VanDerWaalsContact O-CE1 3.29Å; S295-Y311 WeakPolarHBondContact O-CE1 3.17Å; V299-Y311 CarbonylContact C-O 3.6Å; V299-Y311 WeakPolarHBondContact CA-O 3.46Å; Y300-Y311 AromaticContact CD2-CD1 4Å; Y300-Y311 HydrophobicContact CD2-CD1 4Å; Y300-Y311 PolarHBondContact N-O 2.8Å; Y300-Y311 PolarHBondContact O-N 2.81Å; Y311-I345 HydrophobicContact CD2-CG2 4.36Å; Y311-M351 HydrophobicContact CE1-SD 4.22Å; Y311-M351 HydrophobicContact CE2-CB 4.07Å; Y311-M351 HydrophobicContact CE2-CG 4.22Å; Y311-M351 HydrophobicContact CE2-SD 3.91Å; Y311-L354 HydrophobicContact CD2-CD1 3.97Å; Y311-L354 HydrophobicContact CG-CD1 4.22Å
312I93.1Very high92.3Very high4 Ų434.4 Ų34.42%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-108108.6179.2-61.2176.6000107.7V299 V310 C316 K321 A324 V344 I345 Y346 G347V299-I312 HydrophobicContact CG1-CG1 4.32Å; V299-I312 HydrophobicContact CG2-CB 4.41Å; V299-I312 HydrophobicContact CG2-CG1 4.11Å; V299-I312 HydrophobicContact CG2-CG2 4.19Å; V310-I312 HydrophobicContact CG1-CG1 4.24Å; I312-C316 WeakPolarHBondContact CG2-SG 3.43Å; I312-K321 HydrophobicContact CG2-CB 4.27Å; I312-K321 HydrophobicContact CG2-CD 4.32Å; I312-K321 HydrophobicContact CG2-CG 4.13Å; I312-A324 HydrophobicContact CD1-CB 3.91Å; I312-A324 HydrophobicContact CG1-CB 4.26Å; I312-V344 HydrophobicContact CD1-CG1 3.53Å; I312-V344 HydrophobicContact CG1-CG1 4.26Å; I312-I345 PolarHBondContact N-O 3.02Å; I312-Y346 HydrophobicContact CB-CD1 3.8Å; I312-Y346 HydrophobicContact CB-CE1 3.97Å; I312-Y346 HydrophobicContact CD1-CD1 4Å; I312-Y346 HydrophobicContact CD1-CE1 3.31Å; I312-Y346 HydrophobicContact CG1-CD1 4.44Å; I312-Y346 HydrophobicContact CG1-CE1 4.19Å; I312-Y346 HydrophobicContact CG2-CD1 3.83Å; I312-Y346 HydrophobicContact CG2-CE1 3.85Å; I312-G347 PolarHBondContact O-N 3.33Å
313G93.9Very high91.8Very high3 Ų336.8 Ų36.83%0.03119%0.191CC..  trans-64.9147.9-178.400000113.3Q296 D298 Q315 C316Q296-G313 CarbonylContact O-C 3.56Å; Q296-G313 VanDerWaalsContact O-C 3.22Å; Q296-G313 VanDerWaalsContact O-CA 3.22Å; Q296-G313 WeakPolarHBondContact O-CA 2.96Å; D298-G313 PolarHBondContact O-N 2.69Å; D298-G313 VanDerWaalsContact O-N 3.17Å; G313-Q315 PolarHBondContact O-N 3.43Å; G313-C316 PolarHBondContact O-N 3.37Å; G313-C316 PolarHBondContact O-SG 3.32Å
314D90.8Very high91.4Very high94 Ų9436.9 Ų36.950%0.50319%0.192SC..THydrogen-bonded Turntrans-63.2-22.9179.6-72.1-43.3000113.1Q296 G347 S348Q296-D314 PolarHBondContact O-N 3.25Å; D314-G347 WeakPolarHBondContact OD1-CA 3.19Å; D314-S348 VanDerWaalsContact OD2-CB 3.26Å; D314-S348 WeakPolarHBondContact OD2-CB 3.48Å; D314-S348 PolarHBondContact OD2-N 2.91Å; D314-S348 PolarHBondContact OD2-OG 2.83Å
315Q92.6Very high91Very high130 Ų13035.6 Ų35.661%0.60719%0.185SC*.THydrogen-bonded Turntrans-108.14.6-176.8-51.9-176.616.900112.8Q296 D297 G313Q296-Q315 HydrophobicContact CB-CG 4.2Å; Q296-Q315 CarbonylContact O-C 3.58Å; Q296-Q315 WeakPolarHBondContact O-CA 3.44Å; Q296-Q315 WeakPolarHBondContact O-CB 3.3Å; Q296-Q315 PolarHBondContact O-N 3.02Å; D297-Q315 PolarHBondContact OD1-OE1 2.87Å; G313-Q315 PolarHBondContact O-N 3.43Å
316C91.8Very high90.6Very high20 Ų2037.2 Ų37.214%0.13520%0.196CC..  trans-64156.5176.376.90000112.1Q296 D297 V299 I312 G313 E320Q296-C316 PolarHBondContact O-N 3.42Å; D297-C316 VanDerWaalsContact O-CA 3.26Å; D297-C316 WeakPolarHBondContact O-CA 3.46Å; V299-C316 HydrophobicContact CG2-CB 4.35Å; I312-C316 WeakPolarHBondContact CG2-SG 3.43Å; G313-C316 PolarHBondContact O-N 3.37Å; G313-C316 PolarHBondContact O-SG 3.32Å; C316-E320 WeakPolarHBondContact CA-OE2 3.31Å; C316-E320 HydrophobicContact CB-CB 4.47Å; C316-E320 VanDerWaalsContact CB-OE2 3.26Å; C316-E320 WeakPolarHBondContact CB-OE2 3.46Å
317S92.2Very high90.6Very high31 Ų3136.3 Ų36.322%0.21719%0.186CC..  trans-70152.7177.9107.40000111.1D274 Q319 E320 K321D274-S317 VanDerWaalsContact OD2-CB 3.24Å; D274-S317 WeakPolarHBondContact OD2-CB 3.3Å; D274-S317 PolarHBondContact OD2-OG 3.28Å; S317-Q319 PolarHBondContact O-N 3.16Å; S317-Q319 WeakPolarHBondContact OG-CB 3.4Å; S317-Q319 PolarHBondContact OG-N 2.84Å; S317-E320 PolarHBondContact N-OE2 3.1Å; S317-E320 PolarHBondContact O-N 3.19Å; S317-E320 WeakPolarHBondContact OG-CG 3.49Å; S317-E320 PolarHBondContact OG-N 3.34Å; S317-K321 PolarHBondContact O-N 3.1Å
318N86.5Confident90.5Very high86 Ų8635.6 Ų35.646%0.4618%0.183SC..Hα-helixtrans-58.3-32171.4-87.4-12000111.9D17 Q322D17-N318 PolarHBondContact OD2-ND2 3.27Å; N318-Q322 WeakPolarHBondContact O-CB 3.4Å; N318-Q322 WeakPolarHBondContact O-CG 3.17Å; N318-Q322 PolarHBondContact O-N 3.11Å; N318-Q322 PolarHBondContact O-NE2 2.88Å
319Q87.1Confident90.1Very high94 Ų9436 Ų3644%0.43919%0.185SC..Hα-helixtrans-71.4-42.6179.3-168.4175.8-7.100110.8I279 S317 Q322 N323I279-Q319 HydrophobicContact CD1-CB 4.38Å; I279-Q319 HydrophobicContact CD1-CG 3.93Å; I279-Q319 HydrophobicContact CG1-CG 3.8Å; S317-Q319 PolarHBondContact O-N 3.16Å; S317-Q319 WeakPolarHBondContact OG-CB 3.4Å; S317-Q319 PolarHBondContact OG-N 2.84Å; Q319-Q322 PolarHBondContact O-N 2.81Å; Q319-N323 WeakPolarHBondContact O-CB 3.45Å; Q319-N323 PolarHBondContact O-N 2.78Å; Q319-N323 VanDerWaalsContact O-N 3.07Å; Q319-N323 PolarHBondContact O-ND2 2.89Å
320E91.3Very high89.8Confident4 Ų436.7 Ų36.72%0.01920%0.198CC..Hα-helixtrans-61.3-49.8175.2-67.6162.6173.900111.2S273 D274 I279 V299 C316 S317 Q322 N323 A324S273-E320 WeakPolarHBondContact CA-OE1 3.37Å; S273-E320 PolarHBondContact OG-OE1 2.99Å; D274-E320 HydrophobicContact CB-CG 4.34Å; D274-E320 PolarHBondContact N-OE1 3.28Å; I279-E320 HydrophobicContact CD1-CB 4.36Å; I279-E320 HydrophobicContact CD1-CG 3.8Å; V299-E320 HydrophobicContact CG2-CB 3.93Å; C316-E320 WeakPolarHBondContact CA-OE2 3.31Å; C316-E320 HydrophobicContact CB-CB 4.47Å; C316-E320 VanDerWaalsContact CB-OE2 3.26Å; C316-E320 WeakPolarHBondContact CB-OE2 3.46Å; S317-E320 PolarHBondContact N-OE2 3.1Å; S317-E320 PolarHBondContact O-N 3.19Å; S317-E320 WeakPolarHBondContact OG-CG 3.49Å; S317-E320 PolarHBondContact OG-N 3.34Å; E320-Q322 VanDerWaalsContact C-N 3.3Å; E320-Q322 PolarHBondContact O-N 2.97Å; E320-N323 CarbonylContact O-C 3.31Å; E320-N323 PolarHBondContact O-N 2.77Å; E320-A324 PolarHBondContact O-N 2.86Å
321K87.6Confident89.8Confident60 Ų6038 Ų3826%0.26120%0.203SC..Hα-helixtrans-55.7-43.9176.5178168.4173164.90112.1I312 S317 N323 A324 Y346I312-K321 HydrophobicContact CG2-CB 4.27Å; I312-K321 HydrophobicContact CG2-CD 4.32Å; I312-K321 HydrophobicContact CG2-CG 4.13Å; S317-K321 PolarHBondContact O-N 3.1Å; K321-N323 VanDerWaalsContact C-N 3.29Å; K321-N323 PolarHBondContact O-N 3.09Å; K321-A324 WeakPolarHBondContact O-CB 3.41Å; K321-A324 PolarHBondContact O-N 2.71Å; K321-Y346 HydrophobicContact CD-CE1 4.15Å; K321-Y346 HydrophobicContact CG-CE1 4.32Å
322Q81.2Confident89.6Confident52 Ų5238 Ų3824%0.24320%0.204CC..Hα-helixtrans-70.3-24.2179.2-7416937.200113.8F14 G15 N318 Q319 E320F14-Q322 HydrophobicContact CB-CB 4.32Å; F14-Q322 HydrophobicContact CB-CG 4.48Å; F14-Q322 WeakPolarHBondContact CB-O 3.47Å; G15-Q322 VanDerWaalsContact C-CD 3.48Å; N318-Q322 WeakPolarHBondContact O-CB 3.4Å; N318-Q322 WeakPolarHBondContact O-CG 3.17Å; N318-Q322 PolarHBondContact O-N 3.11Å; N318-Q322 PolarHBondContact O-NE2 2.88Å; Q319-Q322 PolarHBondContact O-N 2.81Å; E320-Q322 VanDerWaalsContact C-N 3.3Å; E320-Q322 PolarHBondContact O-N 2.97Å
323N85.7Confident89.5Confident51 Ų5141.4 Ų41.427%0.27322%0.218SC..Hα-helixtrans-99-3.6-178.6-76.3-77000113.1L272 I279 Q319 E320 K321 S326 N327L272-N323 HydrophobicContact CD2-CB 4.49Å; I279-N323 HydrophobicContact CD1-CB 4.4Å; I279-N323 HydrophobicContact CG1-CB 4.47Å; I279-N323 HydrophobicContact CG2-CB 4.31Å; Q319-N323 WeakPolarHBondContact O-CB 3.45Å; Q319-N323 PolarHBondContact O-N 2.78Å; Q319-N323 VanDerWaalsContact O-N 3.07Å; Q319-N323 PolarHBondContact O-ND2 2.89Å; E320-N323 CarbonylContact O-C 3.31Å; E320-N323 PolarHBondContact O-N 2.77Å; K321-N323 VanDerWaalsContact C-N 3.29Å; K321-N323 PolarHBondContact O-N 3.09Å; N323-S326 PolarHBondContact O-OG 3.19Å; N323-N327 VanDerWaalsContact O-CB 3.28Å; N323-N327 WeakPolarHBondContact O-CB 3.3Å; N323-N327 PolarHBondContact O-N 3.28Å; N323-N327 PolarHBondContact O-ND2 3.1Å
324A89.5Confident89.4Confident1 Ų149.4 Ų49.41%0.00826%0.255CS..Hα-helixtrans-56.5-58.2-173.800000113.3V299 F301 V310 I312 E320 K321 N327 A328V299-A324 HydrophobicContact CG1-CB 3.88Å; V299-A324 HydrophobicContact CG2-CB 4.35Å; F301-A324 VanDerWaalsContact CZ-O 3.32Å; F301-A324 WeakPolarHBondContact CZ-O 3.32Å; V310-A324 HydrophobicContact CG1-CB 4.02Å; I312-A324 HydrophobicContact CD1-CB 3.91Å; I312-A324 HydrophobicContact CG1-CB 4.26Å; E320-A324 PolarHBondContact O-N 2.86Å; K321-A324 WeakPolarHBondContact O-CB 3.41Å; K321-A324 PolarHBondContact O-N 2.71Å; A324-N327 PolarHBondContact O-N 3.01Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 2.97Å
325L85.9Confident89.4Confident6 Ų646.4 Ų46.43%0.03124%0.24CC..Hα-helixtrans-73.4-33.9-173.4-169.668.7000113.3F14 A328 H329 I342 V344F14-L325 HydrophobicContact CD2-CB 3.78Å; F14-L325 HydrophobicContact CE2-CB 3.33Å; F14-L325 HydrophobicContact CE2-CD2 3.63Å; F14-L325 HydrophobicContact CE2-CG 4.07Å; F14-L325 HydrophobicContact CZ-CB 4.42Å; F14-L325 HydrophobicContact CZ-CD2 4.42Å; L325-A328 PolarHBondContact O-N 3.45Å; L325-H329 PolarHBondContact O-N 3.36Å; L325-H329 PolarHBondContact O-ND1 3.01Å; L325-I342 HydrophobicContact CD1-CD1 4.43Å; L325-I342 HydrophobicContact CD1-CG2 4.14Å; L325-V344 HydrophobicContact CD1-CG2 3.92Å
326S84.1Confident89.2Confident35 Ų3545.1 Ų45.125%0.24524%0.237CC..Hα-helixtrans-66-42.7175.854.10000110.7N323 H329 A330N323-S326 PolarHBondContact O-OG 3.19Å; S326-H329 PolarHBondContact O-N 2.87Å; S326-A330 PolarHBondContact O-N 3.31Å
327N92Very high89.2Confident39 Ų3944.3 Ų44.321%0.20923%0.231CC..Hα-helixtrans-68.9-33.5174.3-79.3-91.2000112.1L272 F301 N323 A324 H329 A330 Y331L272-N327 HydrophobicContact CD1-CB 3.93Å; L272-N327 HydrophobicContact CD2-CB 4.06Å; F301-N327 VanDerWaalsContact CE2-C 3.49Å; F301-N327 HydrophobicContact CE2-CB 3.96Å; F301-N327 HydrophobicContact CZ-CB 3.69Å; N323-N327 VanDerWaalsContact O-CB 3.28Å; N323-N327 WeakPolarHBondContact O-CB 3.3Å; N323-N327 PolarHBondContact O-N 3.28Å; N323-N327 PolarHBondContact O-ND2 3.1Å; A324-N327 PolarHBondContact O-N 3.01Å; N327-H329 VanDerWaalsContact C-N 3.34Å; N327-H329 PolarHBondContact O-N 2.73Å; N327-A330 PolarHBondContact O-N 3.11Å; N327-Y331 WeakPolarHBondContact O-CB 3.42Å; N327-Y331 PolarHBondContact O-N 2.69Å
328A92.7Very high89.1Confident0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-62.8-40.5174.200000111.9F301 L308 V310 A324 L325 L332F301-A328 HydrophobicContact CE1-CB 4.15Å; F301-A328 HydrophobicContact CE2-CB 4.24Å; F301-A328 HydrophobicContact CZ-CB 3.94Å; F301-A328 VanDerWaalsContact CZ-N 3.3Å; L308-A328 HydrophobicContact CD2-CB 3.87Å; V310-A328 HydrophobicContact CG2-CB 3.59Å; A324-A328 WeakPolarHBondContact O-CB 3.17Å; A324-A328 PolarHBondContact O-N 2.97Å; L325-A328 PolarHBondContact O-N 3.45Å; A328-L332 WeakPolarHBondContact O-CG 3.17Å; A328-L332 PolarHBondContact O-N 3.26Å
329H88Confident89.2Confident9 Ų941.4 Ų41.44%0.04222%0.216CC..Hα-helixtrans-66.7-45173.6-78.781.5000112.3M11 R122 L325 S326 N327 Y331 L332 K333M11-H329 WeakPolarHBondContact CE-NE2 3.49Å; R122-H329 WeakPolarHBondContact CD-NE2 3.45Å; R122-H329 PolarHBondContact NH1-CD2 2.58Å; R122-H329 PolarHBondContact NH1-NE2 3.37Å; L325-H329 PolarHBondContact O-N 3.36Å; L325-H329 PolarHBondContact O-ND1 3.01Å; S326-H329 PolarHBondContact O-N 2.87Å; N327-H329 VanDerWaalsContact C-N 3.34Å; N327-H329 PolarHBondContact O-N 2.73Å; H329-Y331 VanDerWaalsContact C-N 3.32Å; H329-L332 PolarHBondContact O-N 2.87Å; H329-K333 WeakPolarHBondContact O-CG 3.07Å; H329-K333 PolarHBondContact O-N 3.46Å
330A90Very high89.4Confident51 Ų5137.2 Ų37.242%0.42120%0.196SC..Hα-helixtrans-61.1-43.4177.200000111.2S326 N327 K333S326-A330 PolarHBondContact O-N 3.31Å; N327-A330 PolarHBondContact O-N 3.11Å; A330-K333 PolarHBondContact O-N 3.28Å
331Y94.4Very high89.6Confident27 Ų2737.2 Ų37.211%0.10620%0.197CC..Hα-helixtrans-55.5-55.3173.4166.5-105000111.3H270 L281 F301 D303 L308 N327 H329 K333 E334 T335H270-Y331 AromaticContact CE1-CE2 3.19Å; H270-Y331 WeakPolarHBondContact CE1-CE2 3.23Å; H270-Y331 AromaticContact CE1-CZ 3.71Å; H270-Y331 AromaticContact ND1-CE2 3.48Å; H270-Y331 WeakPolarHBondContact ND1-CE2 3.45Å; H270-Y331 AromaticContact ND1-CZ 3.8Å; H270-Y331 AromaticContact NE2-CE2 3.7Å; L281-Y331 HydrophobicContact CD2-CD2 4.05Å; L281-Y331 HydrophobicContact CD2-CG 4.34Å; F301-Y331 HydrophobicContact CD2-CD1 4.27Å; F301-Y331 HydrophobicContact CD2-CG 4.09Å; D303-Y331 HydrophobicContact CB-CE1 4.17Å; D303-Y331 VanDerWaalsContact OD2-CE1 3.31Å; D303-Y331 WeakPolarHBondContact OD2-CE1 3.46Å; D303-Y331 PolarHBondContact OD2-OH 3.33Å; L308-Y331 HydrophobicContact CD1-CD1 4.41Å; L308-Y331 HydrophobicContact CD1-CE1 4.18Å; L308-Y331 HydrophobicContact CD2-CD1 3.99Å; L308-Y331 HydrophobicContact CD2-CE1 4.41Å; N327-Y331 WeakPolarHBondContact O-CB 3.42Å; N327-Y331 PolarHBondContact O-N 2.69Å; H329-Y331 VanDerWaalsContact C-N 3.32Å; Y331-K333 VanDerWaalsContact C-N 3.27Å; Y331-K333 PolarHBondContact O-N 3.22Å; Y331-E334 PolarHBondContact O-N 3.4Å; Y331-T335 HydrophobicContact CE1-CG2 3.99Å; Y331-T335 HydrophobicContact CE2-CG2 4.05Å
332L92.3Very high89.9Confident1 Ų134.5 Ų34.51%0.00519%0.185CC..Hα-helixtrans-59.7-36.2-178.2-79.8-179.8000113L308 A328 H329 E334 T335 P338 V340 I342L308-L332 HydrophobicContact CB-CD1 4.28Å; L308-L332 HydrophobicContact CB-CD2 4.25Å; L308-L332 HydrophobicContact CD2-CD1 3.81Å; L308-L332 HydrophobicContact CD2-CD2 4.1Å; L308-L332 HydrophobicContact CD2-CG 3.7Å; A328-L332 WeakPolarHBondContact O-CG 3.17Å; A328-L332 PolarHBondContact O-N 3.26Å; H329-L332 PolarHBondContact O-N 2.87Å; L332-E334 PolarHBondContact O-N 2.61Å; L332-T335 PolarHBondContact O-N 2.84Å; L332-T335 PolarHBondContact O-OG1 2.75Å; L332-P338 VanDerWaalsContact O-CA 3.24Å; L332-P338 WeakPolarHBondContact O-CA 3.41Å; L332-P338 WeakPolarHBondContact O-CB 3.36Å; L332-V340 HydrophobicContact CD1-CG2 4.1Å; L332-V340 HydrophobicContact CD2-CG2 3.74Å; L332-I342 HydrophobicContact CD1-CD1 3.71Å; L332-I342 HydrophobicContact CD1-CG1 3.72Å
333K89.8Confident90.6Very high76 Ų7632.1 Ų32.133%0.3318%0.175SC..Hα-helixtrans-58.4-27.5176.2-77.1178.8179.1-175.30113.3K7 D8 H329 A330 Y331K7-K333 WeakPolarHBondContact O-CE 3.31Å; D8-K333 PolarHBondContact O-NZ 2.91Å; H329-K333 WeakPolarHBondContact O-CG 3.07Å; H329-K333 PolarHBondContact O-N 3.46Å; A330-K333 PolarHBondContact O-N 3.28Å; Y331-K333 VanDerWaalsContact C-N 3.27Å; Y331-K333 PolarHBondContact O-N 3.22Å
334E91.2Very high91Very high171 Ų17130 Ų3080%0.79916%0.163SC*.THydrogen-bonded Turntrans-91.10.2178.5-58-59.7140.500113.1Y331 L332Y331-E334 PolarHBondContact O-N 3.4Å; L332-E334 PolarHBondContact O-N 2.61Å
335T91.2Very high91.1Very high31 Ų3130 Ų3019%0.1916%0.163CC..SBendtrans-97170.3176.971.50000112Y331 L332 H337Y331-T335 HydrophobicContact CE1-CG2 3.99Å; Y331-T335 HydrophobicContact CE2-CG2 4.05Å; L332-T335 PolarHBondContact O-N 2.84Å; L332-T335 PolarHBondContact O-OG1 2.75Å; T335-H337 PolarHBondContact O-N 2.71Å; T335-H337 PolarHBondContact OG1-N 2.84Å
336D88.6Confident91.2Very high103 Ų10331.2 Ų31.255%0.55117%0.167SC*.SBendtrans-76.4-0.8170.156.7-5.8000113.6F262F262-D336 VanDerWaalsContact CD1-O 3.23Å; F262-D336 WeakPolarHBondContact CD1-O 3.5Å; F262-D336 WeakPolarHBondContact CE1-O 3.26Å
337H91.2Very high90.9Very high2 Ų229.7 Ų29.71%0.00916%0.158CC..  trans-138.256-176.259-81.3000113.8F262 G265 D303 T335 L339 V340F262-H337 HydrophobicContact CD1-CB 3.74Å; F262-H337 HydrophobicContact CE1-CB 4.29Å; F262-H337 HydrophobicContact CG-CB 4.34Å; G265-H337 WeakPolarHBondContact CA-ND1 3.49Å; D303-H337 VanDerWaalsContact CG-NE2 3.33Å; D303-H337 IonicContact OD1-CE1 2.86Å; D303-H337 IonicContact OD1-NE2 3.95Å; D303-H337 PolarHBondContact OD1-NE2 2.83Å; D303-H337 IonicContact OD2-CE1 3.5Å; D303-H337 PolarHBondContact OD2-CE1 3.19Å; D303-H337 IonicContact OD2-NE2 3.18Å; D303-H337 PolarHBondContact OD2-NE2 3.05Å; T335-H337 PolarHBondContact O-N 2.71Å; T335-H337 PolarHBondContact OG1-N 2.84Å; H337-L339 PolarHBondContact O-N 2.62Å; H337-V340 HydrophobicContact CB-CG1 3.82Å; H337-V340 WeakPolarHBondContact O-CG2 3.34Å; H337-V340 PolarHBondContact O-N 2.99Å
338P90Very high90Very high42 Ų4230 Ų3027%0.27316%0.163SC..THydrogen-bonded Turntrans-63.4-18.4-169.124.2-35.8000116.1R122 L332R122-P338 PolarHBondContact NH2-O 3.4Å; L332-P338 VanDerWaalsContact O-CA 3.24Å; L332-P338 WeakPolarHBondContact O-CA 3.41Å; L332-P338 WeakPolarHBondContact O-CB 3.36Å
339L89.6Confident88.8Confident14 Ų1438.5 Ų38.57%0.07320%0.202CC..THydrogen-bonded Turntrans-108.47-170.6-59.8179.2000113.5Y4 W6 K7 L127 F262 H337Y4-L339 HydrophobicContact CD1-CD1 4.17Å; Y4-L339 HydrophobicContact CD2-CD1 3.37Å; Y4-L339 HydrophobicContact CE1-CD1 4.33Å; Y4-L339 HydrophobicContact CE2-CD1 3.59Å; Y4-L339 HydrophobicContact CG-CD1 3.69Å; W6-L339 HydrophobicContact CH2-CD2 3.51Å; W6-L339 HydrophobicContact CZ2-CD2 3.84Å; W6-L339 HydrophobicContact CZ3-CD2 4.11Å; K7-L339 HydrophobicContact CB-CD2 4.23Å; L127-L339 HydrophobicContact CD1-CB 3.36Å; L127-L339 HydrophobicContact CD1-CD1 4.25Å; L127-L339 HydrophobicContact CD1-CG 4.46Å; F262-L339 HydrophobicContact CE2-CB 4.41Å; F262-L339 HydrophobicContact CZ-CB 4.49Å; H337-L339 PolarHBondContact O-N 2.62Å
340V92.1Very high88.3Confident6 Ų639.3 Ų39.34%0.03621%0.206CC..SBendtrans-58.6155.8175.7-66.50000111.7R122 L308 L332 H337R122-V340 PolarHBondContact NH2-O 3.12Å; L308-V340 HydrophobicContact CB-CG2 4.47Å; L332-V340 HydrophobicContact CD1-CG2 4.1Å; L332-V340 HydrophobicContact CD2-CG2 3.74Å; H337-V340 HydrophobicContact CB-CG1 3.82Å; H337-V340 WeakPolarHBondContact O-CG2 3.34Å; H337-V340 PolarHBondContact O-N 2.99Å
341P94.1Very high87.6Confident5 Ų538.2 Ų38.23%0.03219%0.193CC..  trans-55.6148.1172.8-26.136.2000112.2R122 L127 S306 H307 L308R122-P341 VanDerWaalsContact O-CA 3.29Å; R122-P341 WeakPolarHBondContact O-CA 3.42Å; L127-P341 WeakPolarHBondContact O-CD 3.34Å; L127-P341 WeakPolarHBondContact O-CG 3.41Å; S306-P341 WeakPolarHBondContact O-CD 3.02Å; H307-P341 PolarHBondContact CD2-O 3.07Å; L308-P341 PolarHBondContact N-O 2.8Å
342I95Very high86.9Confident2 Ų241 Ų411%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-116.6131.1171.5-54.5176000107.8H121 R122 L308 V310 L325 L332 V344H121-I342 CarbonylContact C-O 3.6Å; H121-I342 VanDerWaalsContact CA-O 3.25Å; H121-I342 WeakPolarHBondContact CA-O 3.28Å; R122-I342 HydrophobicContact CB-CB 4.02Å; R122-I342 HydrophobicContact CB-CG1 4.42Å; R122-I342 PolarHBondContact N-O 2.92Å; R122-I342 PolarHBondContact O-N 3.17Å; L308-I342 HydrophobicContact CB-CG1 4.44Å; L308-I342 HydrophobicContact CD2-CG1 4.47Å; L308-I342 CarbonylContact O-C 3.49Å; L308-I342 VanDerWaalsContact O-CA 3.26Å; L308-I342 WeakPolarHBondContact O-CA 3.49Å; V310-I342 HydrophobicContact CG2-CG2 3.85Å; L325-I342 HydrophobicContact CD1-CD1 4.43Å; L325-I342 HydrophobicContact CD1-CG2 4.14Å; L332-I342 HydrophobicContact CD1-CD1 3.71Å; L332-I342 HydrophobicContact CD1-CG1 3.72Å; I342-V344 HydrophobicContact CG2-CG2 4.43Å
343S95.2Very high86.4Confident3 Ų345 Ų452%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-114.6125.3166.7-65.50000110.1Q120 H121 H307 L308 Y309 V310Q120-S343 CarbonylContact O-C 3.51Å; Q120-S343 WeakPolarHBondContact O-CA 3.42Å; H121-S343 PolarHBondContact CE1-OG 3.39Å; H121-S343 PolarHBondContact ND1-OG 3.37Å; H307-S343 PolarHBondContact CE1-OG 3.34Å; H307-S343 VanDerWaalsContact CE1-OG 3.3Å; H307-S343 WeakPolarHBondContact NE2-CB 3.09Å; H307-S343 PolarHBondContact NE2-N 3.19Å; H307-S343 PolarHBondContact NE2-OG 3.19Å; L308-S343 PolarHBondContact O-N 2.73Å; Y309-S343 CarbonylContact C-O 3.53Å; Y309-S343 WeakPolarHBondContact CA-O 3.24Å; V310-S343 PolarHBondContact N-O 2.89Å
344V93.4Very high86.4Confident5 Ų541.4 Ų41.43%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-99119.4174-172.50000108.8V119 Q120 V310 I312 L325 I342 Y346V119-V344 WeakPolarHBondContact CG1-O 3.4Å; Q120-V344 HydrophobicContact CB-CB 4.22Å; Q120-V344 PolarHBondContact N-O 2.63Å; Q120-V344 PolarHBondContact O-N 2.7Å; V310-V344 HydrophobicContact CB-CG2 4.3Å; V310-V344 WeakPolarHBondContact O-CA 3.15Å; I312-V344 HydrophobicContact CD1-CG1 3.53Å; I312-V344 HydrophobicContact CG1-CG1 4.26Å; L325-V344 HydrophobicContact CD1-CG2 3.92Å; I342-V344 HydrophobicContact CG2-CG2 4.43Å; V344-Y346 HydrophobicContact CG1-CE2 3.98Å
345I92.5Very high86.3Confident3 Ų337.1 Ų37.12%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-117.6119.6-174.8-57.7174.7000108.4V119 Y309 V310 Y311 I312 K350 L353 L354V119-I345 HydrophobicContact CG1-CG1 4.01Å; Y309-I345 HydrophobicContact CD1-CD1 4Å; V310-I345 PolarHBondContact O-N 3.36Å; Y311-I345 HydrophobicContact CD2-CG2 4.36Å; I312-I345 PolarHBondContact N-O 3.02Å; I345-K350 HydrophobicContact CG2-CB 3.48Å; I345-K350 VanDerWaalsContact CG2-CB 3.48Å; I345-L353 HydrophobicContact CD1-CB 4.26Å; I345-L354 HydrophobicContact CD1-CD1 4.44Å; I345-L354 HydrophobicContact CD1-CD2 3.68Å; I345-L354 HydrophobicContact CD1-CG 3.89Å
346Y87.3Confident86.1Confident30 Ų3043.5 Ų43.512%0.11823%0.233CC..EExtended strand (participates in β ladder)trans-93.5127.4176.7-71.7-78.4000111.9F14 I312 K321 V344F14-Y346 VanDerWaalsContact CE1-OH 3.29Å; F14-Y346 WeakPolarHBondContact CE1-OH 3.24Å; I312-Y346 HydrophobicContact CB-CD1 3.8Å; I312-Y346 HydrophobicContact CB-CE1 3.97Å; I312-Y346 HydrophobicContact CD1-CD1 4Å; I312-Y346 HydrophobicContact CD1-CE1 3.31Å; I312-Y346 HydrophobicContact CG1-CD1 4.44Å; I312-Y346 HydrophobicContact CG1-CE1 4.19Å; I312-Y346 HydrophobicContact CG2-CD1 3.83Å; I312-Y346 HydrophobicContact CG2-CE1 3.85Å; K321-Y346 HydrophobicContact CD-CE1 4.15Å; K321-Y346 HydrophobicContact CG-CE1 4.32Å; V344-Y346 HydrophobicContact CG1-CE2 3.98Å
347G79.2Confident86.2Confident4 Ų439.9 Ų39.94%0.04121%0.214CC..THydrogen-bonded Turntrans70.5169.1161.100000115.8I312 D314 Q349 K350I312-G347 PolarHBondContact O-N 3.33Å; D314-G347 WeakPolarHBondContact OD1-CA 3.19Å; G347-Q349 VanDerWaalsContact C-N 3.27Å; G347-Q349 PolarHBondContact O-N 3.15Å; G347-K350 PolarHBondContact O-N 2.98Å
348S72.3Confident86.2Confident45 Ų4540.7 Ų40.732%0.31522%0.218SC..G310 helixtrans-65.5-27.6-172.653.60000114.4D314 K350 M351D314-S348 VanDerWaalsContact OD2-CB 3.26Å; D314-S348 WeakPolarHBondContact OD2-CB 3.48Å; D314-S348 PolarHBondContact OD2-N 2.91Å; D314-S348 PolarHBondContact OD2-OG 2.83Å; S348-K350 PolarHBondContact O-N 3.45Å; S348-M351 WeakPolarHBondContact O-CB 3.46Å; S348-M351 PolarHBondContact O-N 3.28Å; S348-M351 VanDerWaalsContact O-N 3.17Å
349Q68Low86.2Confident178 Ų17845.4 Ų45.483%0.83224%0.236SC*.G310 helixtrans-60.2-33.2179.4-66.2-172.216.600112.2G347G347-Q349 VanDerWaalsContact C-N 3.27Å; G347-Q349 PolarHBondContact O-N 3.15Å
350K76.2Confident86.1Confident27 Ų2747 Ų4712%0.11725%0.245CC..G310 helixtrans-101.63.6-179.7-64.6-159.6177.1-164.40113.9Y85 R117 V119 I345 G347 S348 T352 L353Y85-K350 PolarHBondContact O-NZ 3.16Å; R117-K350 WeakPolarHBondContact O-CE 3.42Å; R117-K350 PolarHBondContact O-NZ 3.18Å; V119-K350 HydrophobicContact CG2-CD 3.59Å; V119-K350 VanDerWaalsContact CG2-NZ 3.28Å; V119-K350 VanDerWaalsContact N-NZ 3.18Å; I345-K350 HydrophobicContact CG2-CB 3.48Å; I345-K350 VanDerWaalsContact CG2-CB 3.48Å; G347-K350 PolarHBondContact O-N 2.98Å; S348-K350 PolarHBondContact O-N 3.45Å; K350-T352 PolarHBondContact O-N 3.14Å; K350-T352 VanDerWaalsContact O-N 3.09Å; K350-L353 HydrophobicContact CB-CD1 3.99Å; K350-L353 HydrophobicContact CB-CG 4.44Å; K350-L353 HydrophobicContact CD-CD1 4.14Å; K350-L353 HydrophobicContact CG-CD1 4.43Å; K350-L353 VanDerWaalsContact O-CB 3.26Å; K350-L353 WeakPolarHBondContact O-CB 2.91Å; K350-L353 WeakPolarHBondContact O-CG 3.3Å; K350-L353 PolarHBondContact O-N 2.88Å
351M75.5Confident85.8Confident28 Ų2849.2 Ų49.214%0.13826%0.255CS..G310 helixtrans-64.5-15.8176.4-168.8151.565.100112.7I294 Y311 S348 L353 L354 N355I294-M351 HydrophobicContact CG2-SD 4.08Å; Y311-M351 HydrophobicContact CE1-SD 4.22Å; Y311-M351 HydrophobicContact CE2-CB 4.07Å; Y311-M351 HydrophobicContact CE2-CG 4.22Å; Y311-M351 HydrophobicContact CE2-SD 3.91Å; S348-M351 WeakPolarHBondContact O-CB 3.46Å; S348-M351 PolarHBondContact O-N 3.28Å; S348-M351 VanDerWaalsContact O-N 3.17Å; M351-L353 VanDerWaalsContact C-N 3.25Å; M351-L353 PolarHBondContact O-N 3.13Å; M351-L354 HydrophobicContact CG-CD1 4.38Å; M351-L354 WeakPolarHBondContact O-CB 3.44Å; M351-L354 PolarHBondContact O-N 2.65Å; M351-N355 PolarHBondContact O-OD1 2.85Å
352T79.9Confident85.3Confident86 Ų8651.6 Ų51.653%0.52827%0.268SS..G310 helixtrans-64.3-27.8170.451.20000113K350 L354 N355K350-T352 PolarHBondContact O-N 3.14Å; K350-T352 VanDerWaalsContact O-N 3.09Å; T352-L354 PolarHBondContact O-N 3.45Å; T352-N355 VanDerWaalsContact O-CB 3.25Å; T352-N355 WeakPolarHBondContact O-CB 3.47Å; T352-N355 PolarHBondContact O-N 2.94Å; T352-N355 PolarHBondContact O-ND2 3.38Å
353L83.1Confident84.7Confident84 Ų8454.5 Ų54.544%0.4428%0.283SS..G310 helixtrans-62.9-23.3174.8-60.9177.3000112V119 I345 K350 M351V119-L353 HydrophobicContact CG2-CD1 3.55Å; I345-L353 HydrophobicContact CD1-CB 4.26Å; K350-L353 HydrophobicContact CB-CD1 3.99Å; K350-L353 HydrophobicContact CB-CG 4.44Å; K350-L353 HydrophobicContact CD-CD1 4.14Å; K350-L353 HydrophobicContact CG-CD1 4.43Å; K350-L353 VanDerWaalsContact O-CB 3.26Å; K350-L353 WeakPolarHBondContact O-CB 2.91Å; K350-L353 WeakPolarHBondContact O-CG 3.3Å; K350-L353 PolarHBondContact O-N 2.88Å; M351-L353 VanDerWaalsContact C-N 3.25Å; M351-L353 PolarHBondContact O-N 3.13Å
354L89.5Confident84.1Confident0 Ų057.8 Ų57.80%030%0.299CS..G310 helixtrans-85.7-7.2178-63.2172.1000113.5I302 Y309 Y311 I345 M351 T352 N356 I357 L358I302-L354 HydrophobicContact CD1-CD1 3.56Å; I302-L354 HydrophobicContact CD1-CD2 4.02Å; I302-L354 HydrophobicContact CD1-CG 4.39Å; Y309-L354 HydrophobicContact CD1-CD2 3.88Å; Y309-L354 HydrophobicContact CG-CD2 3.81Å; Y311-L354 HydrophobicContact CD2-CD1 3.97Å; Y311-L354 HydrophobicContact CG-CD1 4.22Å; I345-L354 HydrophobicContact CD1-CD1 4.44Å; I345-L354 HydrophobicContact CD1-CD2 3.68Å; I345-L354 HydrophobicContact CD1-CG 3.89Å; M351-L354 HydrophobicContact CG-CD1 4.38Å; M351-L354 WeakPolarHBondContact O-CB 3.44Å; M351-L354 PolarHBondContact O-N 2.65Å; T352-L354 PolarHBondContact O-N 3.45Å; L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 2.92Å; L354-I357 HydrophobicContact CD2-CD1 4.01Å; L354-I357 PolarHBondContact O-N 3.42Å; L354-L358 HydrophobicContact CB-CD1 3.68Å; L354-L358 HydrophobicContact CB-CG 4.05Å; L354-L358 HydrophobicContact CD1-CD1 4.46Å; L354-L358 WeakPolarHBondContact O-CG 3.11Å; L354-L358 PolarHBondContact O-N 3.48Å
355N88.1Confident83.4Confident81 Ų8161.3 Ų61.343%0.43332%0.317SS..THydrogen-bonded Turntrans-63.6-29.6-173.6-70.4-8000113.8R291 M351 T352 I357R291-N355 PolarHBondContact NH1-OD1 3.39Å; M351-N355 PolarHBondContact O-OD1 2.85Å; T352-N355 VanDerWaalsContact O-CB 3.25Å; T352-N355 WeakPolarHBondContact O-CB 3.47Å; T352-N355 PolarHBondContact O-N 2.94Å; T352-N355 PolarHBondContact O-ND2 3.38Å; N355-I357 VanDerWaalsContact C-N 3.29Å
356N87.3Confident82.8Confident165 Ų16565.4 Ų65.488%0.88234%0.339SS*.THydrogen-bonded Turntrans-86.3-3.4177.8-64.9-27000112.8L354L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 2.92Å
357I90.5Very high82.5Confident28 Ų2868.2 Ų68.214%0.14436%0.356CS..THydrogen-bonded Turntrans-109.6-40.5-176-63.6147.3000110.3L289 I302 N304 Y309 L354 N355L289-I357 HydrophobicContact CD1-CG2 4.12Å; I302-I357 HydrophobicContact CG2-CG2 4.13Å; N304-I357 HydrophobicContact CB-CG2 4.32Å; Y309-I357 HydrophobicContact CD1-CD1 3.91Å; Y309-I357 HydrophobicContact CD2-CD1 4Å; Y309-I357 HydrophobicContact CD2-CG2 4.15Å; Y309-I357 HydrophobicContact CE1-CD1 3.38Å; Y309-I357 HydrophobicContact CE2-CD1 3.51Å; Y309-I357 HydrophobicContact CE2-CG1 3.97Å; Y309-I357 HydrophobicContact CE2-CG2 4.06Å; Y309-I357 HydrophobicContact CG-CD1 4.2Å; Y309-I357 WeakPolarHBondContact OH-CD1 3.22Å; L354-I357 HydrophobicContact CD2-CD1 4.01Å; L354-I357 PolarHBondContact O-N 3.42Å; N355-I357 VanDerWaalsContact C-N 3.29Å
358L91.8Very high82.7Confident18 Ų1873.5 Ų73.59%0.09438%0.382CS..  trans-80.8149179.4-61.2172.6000111.4L289 R291 I294 I302 L354L289-L358 HydrophobicContact CB-CD2 4.2Å; L289-L358 CarbonylContact O-C 3.58Å; L289-L358 VanDerWaalsContact O-CA 3.29Å; L289-L358 WeakPolarHBondContact O-CA 3.17Å; L289-L358 WeakPolarHBondContact O-CD2 3.33Å; R291-L358 HydrophobicContact CB-CB 4.14Å; R291-L358 HydrophobicContact CB-CD1 4.24Å; R291-L358 HydrophobicContact CG-CD1 4.1Å; I294-L358 HydrophobicContact CG1-CD1 4.31Å; I294-L358 HydrophobicContact CG1-CD2 4.32Å; I302-L358 HydrophobicContact CD1-CD2 4.36Å; I302-L358 HydrophobicContact CG1-CD2 4.45Å; I302-L358 HydrophobicContact CG2-CD2 3.84Å; L354-L358 HydrophobicContact CB-CD1 3.68Å; L354-L358 HydrophobicContact CB-CG 4.05Å; L354-L358 HydrophobicContact CD1-CD1 4.46Å; L354-L358 WeakPolarHBondContact O-CG 3.11Å; L354-L358 PolarHBondContact O-N 3.48Å
359E90.7Very high83.7Confident142 Ų14276.1 Ų76.166%0.66439%0.388SS*.  trans-102.90-177.3-63.4176.6-149.800112.6K267 V288 L289 P290 R291K267-E359 IonicContact NZ-OE1 2.93Å; K267-E359 PolarHBondContact NZ-OE1 2.73Å; V288-E359 HydrophobicContact CG1-CB 4.46Å; V288-E359 WeakPolarHBondContact CG1-OE2 3.2Å; L289-E359 PolarHBondContact O-N 3.43Å; P290-E359 WeakPolarHBondContact CA-O 3.48Å; R291-E359 PolarHBondContact N-O 2.87Å

Retrieved 359 of 359 residues in 121.1 ms (Link to these results)

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