A0A077Z1I5_TRITR Loading...

Putative histone h3 lys4 methyltransferase comple x and rna cleavage factor ii complex subunit swd2

AlphaFold DB , UniProt , Accession A0A077Z1I5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M70.7Confident88.5Confident107 Ų10773.1 Ų73.153%0.52735%0.352SS..  0120.30175.8176.260.300106.8L3 M7 F296 A301M1-L3 HydrophobicContact CE-CD1 4.3Å; M1-L3 HydrophobicContact CE-CD2 3.61Å; M1-L3 HydrophobicContact CE-CG 4.09Å; M1-L3 HydrophobicContact CG-CD2 4.16Å; M1-L3 HydrophobicContact CG-CG 4.48Å; M1-L3 HydrophobicContact SD-CD2 3.98Å; M1-M7 HydrophobicContact SD-CE 4.28Å; M1-F296 HydrophobicContact CE-CE1 3.5Å; M1-F296 HydrophobicContact CE-CZ 3.61Å; M1-A301 HydrophobicContact CE-CB 3.98Å; M1-A301 HydrophobicContact SD-CB 3.74Å
2I78.9Confident89Confident160 Ų16070.3 Ų70.382%0.82135%0.351SS*.  trans-82.8123.5173-61.4173.1000106.3
3L86.8Confident89.4Confident6 Ų670.1 Ų70.13%0.03135%0.35CS..  trans-97.6141.6176.5-66.9168.6000109.5M1 M7 T249 D251 F254 F296M1-L3 HydrophobicContact CE-CD1 4.3Å; M1-L3 HydrophobicContact CE-CD2 3.61Å; M1-L3 HydrophobicContact CE-CG 4.09Å; M1-L3 HydrophobicContact CG-CD2 4.16Å; M1-L3 HydrophobicContact CG-CG 4.48Å; M1-L3 HydrophobicContact SD-CD2 3.98Å; L3-M7 HydrophobicContact CD2-CB 4.34Å; L3-M7 HydrophobicContact CD2-CG 3.58Å; L3-T249 HydrophobicContact CD1-CG2 3.56Å; L3-D251 PolarHBondContact N-OD2 3.05Å; L3-F254 HydrophobicContact CB-CD2 4.38Å; L3-F254 HydrophobicContact CB-CE2 4.14Å; L3-F296 HydrophobicContact CD1-CD2 4.38Å; L3-F296 HydrophobicContact CD1-CE1 4.39Å; L3-F296 HydrophobicContact CD1-CE2 3.59Å; L3-F296 HydrophobicContact CD1-CZ 3.6Å; L3-F296 HydrophobicContact CD2-CZ 4.17Å; L3-F296 HydrophobicContact CG-CZ 4.49Å
4D89.9Confident89.8Confident89 Ų8969.1 Ų69.148%0.47635%0.353SS..  trans-115175.8165.467.423.7000110.5H6 M7 I8D4-H6 PolarHBondContact O-N 3.4Å; D4-H6 WeakPolarHBondContact OD1-CA 3.45Å; D4-H6 WeakPolarHBondContact OD1-CB 3.45Å; D4-H6 PolarHBondContact OD1-N 2.91Å; D4-M7 PolarHBondContact O-N 3.12Å; D4-M7 WeakPolarHBondContact OD1-CB 3.33Å; D4-M7 PolarHBondContact OD1-N 2.77Å; D4-I8 WeakPolarHBondContact O-CG1 3.44Å; D4-I8 PolarHBondContact O-N 3.24Å; D4-I8 VanDerWaalsContact O-N 3.16Å
5Q89.4Confident90.1Very high70 Ų7071 Ų7133%0.32736%0.358SS..Hα-helixtrans-65.2-28.3-179.7-66.3-173.49.600112.9R9 F254 V275Q5-R9 WeakPolarHBondContact O-CG 3.49Å; Q5-R9 PolarHBondContact O-N 2.92Å; Q5-F254 HydrophobicContact CG-CE1 4.11Å; Q5-F254 HydrophobicContact CG-CZ 4.16Å; Q5-V275 HydrophobicContact CG-CB 4.19Å; Q5-V275 HydrophobicContact CG-CG1 4.33Å; Q5-V275 VanDerWaalsContact NE2-CG1 3.35Å
6H91.1Very high90.4Very high125 Ų12571.1 Ų71.158%0.57936%0.363SS*.Hα-helixtrans-70.3-48.3179.8176.862.4000110D4 I8 R9 A10 D318D4-H6 PolarHBondContact O-N 3.4Å; D4-H6 WeakPolarHBondContact OD1-CA 3.45Å; D4-H6 WeakPolarHBondContact OD1-CB 3.45Å; D4-H6 PolarHBondContact OD1-N 2.91Å; H6-I8 VanDerWaalsContact C-N 3.32Å; H6-I8 PolarHBondContact O-N 3.35Å; H6-R9 PolarHBondContact O-N 2.99Å; H6-R9 VanDerWaalsContact O-N 3.1Å; H6-A10 PolarHBondContact O-N 2.96Å; H6-A10 VanDerWaalsContact O-N 3.07Å; H6-D318 IonicContact CE1-OD2 2.68Å
7M91.8Very high90.7Very high57 Ų5768.5 Ų68.528%0.28135%0.348SS..Hα-helixtrans-58.4-40.7175.5-175.361.4147.800112.4M1 L3 D4 R9 A10 F11 A301 P315M1-M7 HydrophobicContact SD-CE 4.28Å; L3-M7 HydrophobicContact CD2-CB 4.34Å; L3-M7 HydrophobicContact CD2-CG 3.58Å; D4-M7 PolarHBondContact O-N 3.12Å; D4-M7 WeakPolarHBondContact OD1-CB 3.33Å; D4-M7 PolarHBondContact OD1-N 2.77Å; M7-R9 VanDerWaalsContact C-N 3.32Å; M7-R9 PolarHBondContact O-N 3.47Å; M7-A10 WeakPolarHBondContact O-CB 3.37Å; M7-A10 PolarHBondContact O-N 2.84Å; M7-F11 VanDerWaalsContact O-CD2 3.24Å; M7-F11 WeakPolarHBondContact O-CD2 3.32Å; M7-A301 HydrophobicContact CE-CB 4.29Å; M7-P315 HydrophobicContact CE-CB 4.1Å; M7-P315 HydrophobicContact CE-CG 3.88Å; M7-P315 HydrophobicContact SD-CB 3.72Å; M7-P315 HydrophobicContact SD-CG 4.19Å
8I92.9Very high91Very high0 Ų072.7 Ų72.70%037%0.367CS..Hα-helixtrans-61.3-43.4176.4-72.2170.9000111.2D4 H6 A10 F11 F254 F266 A276 L278D4-I8 WeakPolarHBondContact O-CG1 3.44Å; D4-I8 PolarHBondContact O-N 3.24Å; D4-I8 VanDerWaalsContact O-N 3.16Å; H6-I8 VanDerWaalsContact C-N 3.32Å; H6-I8 PolarHBondContact O-N 3.35Å; I8-A10 PolarHBondContact O-N 3.24Å; I8-F11 PolarHBondContact O-N 3.13Å; I8-F254 HydrophobicContact CD1-CB 4.07Å; I8-F254 HydrophobicContact CD1-CD1 3.59Å; I8-F254 HydrophobicContact CD1-CD2 3.25Å; I8-F254 HydrophobicContact CD1-CE1 3.72Å; I8-F254 HydrophobicContact CD1-CE2 3.36Å; I8-F254 HydrophobicContact CD1-CG 3.34Å; I8-F254 HydrophobicContact CD1-CZ 3.59Å; I8-F266 HydrophobicContact CD1-CD1 3.91Å; I8-F266 HydrophobicContact CD1-CE1 4.35Å; I8-F266 HydrophobicContact CG1-CD1 4.31Å; I8-F266 HydrophobicContact CG1-CE1 4.35Å; I8-F266 HydrophobicContact CG2-CB 4.2Å; I8-F266 HydrophobicContact CG2-CD1 3.57Å; I8-F266 HydrophobicContact CG2-CD2 3.9Å; I8-F266 HydrophobicContact CG2-CE1 3.83Å; I8-F266 HydrophobicContact CG2-CE2 4.18Å; I8-F266 HydrophobicContact CG2-CG 3.61Å; I8-F266 HydrophobicContact CG2-CZ 4.15Å; I8-A276 HydrophobicContact CG2-CB 3.69Å; I8-L278 WeakPolarHBondContact O-CD2 3.34Å
9R93.2Very high91.1Very high157 Ų15771.6 Ų71.659%0.59236%0.36SS*.Hα-helixtrans-71.2-19.1-179.8-70.6176.2-179.3173.72.6113.2Q5 H6 M7 F11 V275 A276Q5-R9 WeakPolarHBondContact O-CG 3.49Å; Q5-R9 PolarHBondContact O-N 2.92Å; H6-R9 PolarHBondContact O-N 2.99Å; H6-R9 VanDerWaalsContact O-N 3.1Å; M7-R9 VanDerWaalsContact C-N 3.32Å; M7-R9 PolarHBondContact O-N 3.47Å; R9-F11 VanDerWaalsContact C-N 3.28Å; R9-F11 PolarHBondContact O-N 3.07Å; R9-V275 PolarHBondContact NE-O 2.91Å; R9-V275 VanDerWaalsContact NE-O 3.13Å; R9-V275 PolarHBondContact NH2-O 2.84Å; R9-A276 HydrophobicContact CG-CB 3.84Å
10A93.9Very high91.3Very high25 Ų2568.1 Ų68.121%0.20734%0.342CS..THydrogen-bonded Turntrans-76.4-1217700000113.6H6 M7 I8 A12 P315 V316H6-A10 PolarHBondContact O-N 2.96Å; H6-A10 VanDerWaalsContact O-N 3.07Å; M7-A10 WeakPolarHBondContact O-CB 3.37Å; M7-A10 PolarHBondContact O-N 2.84Å; I8-A10 PolarHBondContact O-N 3.24Å; A10-A12 PolarHBondContact O-N 2.85Å; A10-P315 HydrophobicContact CB-CB 4.31Å; A10-P315 WeakPolarHBondContact O-CA 3.47Å; A10-V316 PolarHBondContact O-N 3.44Å
11F95.2Very high91.5Very high8 Ų869.8 Ų69.84%0.03536%0.357CS..EExtended strand (participates in β ladder)trans-66.9122178-83.7-94.3000111.8M7 I8 R9 L278 F296 A301 I303 W313 V314 P315M7-F11 VanDerWaalsContact O-CD2 3.24Å; M7-F11 WeakPolarHBondContact O-CD2 3.32Å; I8-F11 PolarHBondContact O-N 3.13Å; R9-F11 VanDerWaalsContact C-N 3.28Å; R9-F11 PolarHBondContact O-N 3.07Å; F11-L278 HydrophobicContact CB-CD1 3.74Å; F11-L278 HydrophobicContact CB-CD2 4.14Å; F11-F296 HydrophobicContact CE1-CZ 4.41Å; F11-F296 HydrophobicContact CE2-CE2 4.17Å; F11-F296 HydrophobicContact CE2-CZ 4.14Å; F11-F296 AromaticContact CZ-CE2 3.87Å; F11-F296 HydrophobicContact CZ-CE2 3.87Å; F11-F296 AromaticContact CZ-CZ 3.56Å; F11-F296 HydrophobicContact CZ-CZ 3.56Å; F11-A301 WeakPolarHBondContact CE1-O 3.37Å; F11-A301 HydrophobicContact CZ-CB 4.12Å; F11-I303 HydrophobicContact CB-CD1 4.35Å; F11-I303 HydrophobicContact CD1-CD1 3.62Å; F11-I303 HydrophobicContact CD1-CG1 4.19Å; F11-I303 HydrophobicContact CD2-CD1 4.04Å; F11-I303 HydrophobicContact CE1-CD1 3.8Å; F11-I303 HydrophobicContact CE1-CG1 3.99Å; F11-I303 HydrophobicContact CE2-CD1 4.23Å; F11-I303 HydrophobicContact CG-CD1 3.74Å; F11-I303 HydrophobicContact CZ-CD1 4.11Å; F11-I303 HydrophobicContact CZ-CG1 4.41Å; F11-W313 HydrophobicContact CB-CB 4.37Å; F11-W313 HydrophobicContact CD1-CB 3.83Å; F11-W313 WeakPolarHBondContact CD1-O 3.05Å; F11-W313 WeakPolarHBondContact CE1-O 3.41Å; F11-V314 WeakPolarHBondContact CA-O 3.26Å; F11-P315 HydrophobicContact CZ-CG 4.5Å
12A94.3Very high92.8Very high40 Ų4068 Ų6833%0.33135%0.349SS..EExtended strand (participates in β ladder)trans-124.6163174.300000111.2A10 S14 W313 V314 V316A10-A12 PolarHBondContact O-N 2.85Å; A12-S14 PolarHBondContact O-N 2.98Å; A12-W313 VanDerWaalsContact O-CA 3.23Å; A12-W313 WeakPolarHBondContact O-CA 3.23Å; A12-V314 PolarHBondContact N-O 3.04Å; A12-V314 PolarHBondContact O-N 3.46Å; A12-V314 VanDerWaalsContact O-N 3.13Å; A12-V316 HydrophobicContact CB-CG2 3.6Å
13I94.6Very high93.6Very high67 Ų6761.9 Ų61.934%0.34432%0.319SS..EExtended strand (participates in β ladder)trans-63.9120176.8-62.1177.5000109V16 A286 V311 W313I13-V16 HydrophobicContact CG2-CG2 3.65Å; I13-A286 HydrophobicContact CD1-CB 4.18Å; I13-V311 HydrophobicContact CB-CG1 4.39Å; I13-V311 HydrophobicContact CD1-CG1 4.37Å; I13-V311 HydrophobicContact CG1-CG1 3.96Å; I13-V311 HydrophobicContact CG2-CG1 3.87Å; I13-W313 HydrophobicContact CD1-CH2 3.93Å; I13-W313 HydrophobicContact CD1-CZ2 4.35Å; I13-W313 HydrophobicContact CD1-CZ3 4.31Å; I13-W313 HydrophobicContact CG1-CD2 4.26Å; I13-W313 HydrophobicContact CG1-CE3 3.86Å; I13-W313 HydrophobicContact CG1-CH2 3.49Å; I13-W313 VanDerWaalsContact CG1-CH2 3.49Å; I13-W313 HydrophobicContact CG1-CZ2 3.9Å; I13-W313 HydrophobicContact CG1-CZ3 3.45Å; I13-W313 VanDerWaalsContact CG1-CZ3 3.45Å
14S94.1Very high94.1Very high56 Ų5661.6 Ų61.639%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-100.4-42.6176-172.30000112.2A12 M312A12-S14 PolarHBondContact O-N 2.98Å; S14-M312 PolarHBondContact N-O 3.46Å
15K94.7Very high94.4Very high98 Ų9859.2 Ų59.243%0.42631%0.305SS..EExtended strand (participates in β ladder)trans-142.4144.5-177.3-58-68.8176.6-169.60110.4F17 V311 M312K15-F17 HydrophobicContact CB-CD2 4.36Å; K15-F17 HydrophobicContact CB-CE2 3.66Å; K15-F17 HydrophobicContact CB-CZ 4.06Å; K15-F17 HydrophobicContact CG-CE2 4.48Å; K15-V311 WeakPolarHBondContact O-CA 3.49Å; K15-M312 HydrophobicContact CB-CB 4.18Å; K15-M312 PolarHBondContact N-O 2.88Å; K15-M312 PolarHBondContact O-N 2.91Å
16V95Very high94.8Very high73 Ų7356 Ų5644%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-126.8132.6172.4-175.60000108.2I13 E18 D309 V311I13-V16 HydrophobicContact CG2-CG2 3.65Å; V16-E18 HydrophobicContact CG1-CG 4.01Å; V16-D309 HydrophobicContact CG1-CB 4.34Å; V16-V311 HydrophobicContact CG1-CG2 4.25Å; V16-V311 HydrophobicContact CG2-CG1 4.47Å; V16-V311 HydrophobicContact CG2-CG2 4.27Å
17F96.1Very high95.2Very high26 Ų2650.1 Ų50.111%0.11426%0.263CS..EExtended strand (participates in β ladder)trans-122.2113.1-176.2-68.2-76.9000108.7K15 E19 Y48 G53 R55 D309 T310 M312K15-F17 HydrophobicContact CB-CD2 4.36Å; K15-F17 HydrophobicContact CB-CE2 3.66Å; K15-F17 HydrophobicContact CB-CZ 4.06Å; K15-F17 HydrophobicContact CG-CE2 4.48Å; F17-E19 VanDerWaalsContact C-OE2 3.25Å; F17-E19 WeakPolarHBondContact CA-OE2 3.41Å; F17-E19 WeakPolarHBondContact CB-OE2 3.46Å; F17-Y48 HydrophobicContact CB-CE1 4.16Å; F17-Y48 HydrophobicContact CD1-CD1 4.29Å; F17-Y48 AromaticContact CD1-CE1 3.67Å; F17-Y48 HydrophobicContact CD1-CE1 3.67Å; F17-Y48 HydrophobicContact CD2-CD1 4.29Å; F17-Y48 AromaticContact CD2-CE1 3.85Å; F17-Y48 HydrophobicContact CD2-CE1 3.85Å; F17-Y48 HydrophobicContact CE1-CD1 4.08Å; F17-Y48 AromaticContact CE1-CE1 3.93Å; F17-Y48 HydrophobicContact CE1-CE1 3.93Å; F17-Y48 HydrophobicContact CE2-CD1 4.07Å; F17-Y48 HydrophobicContact CE2-CE1 4.09Å; F17-Y48 HydrophobicContact CG-CD1 4.39Å; F17-Y48 AromaticContact CG-CE1 3.62Å; F17-Y48 HydrophobicContact CG-CE1 3.62Å; F17-Y48 AromaticContact CZ-CD1 3.95Å; F17-Y48 HydrophobicContact CZ-CD1 3.95Å; F17-Y48 HydrophobicContact CZ-CE1 4.12Å; F17-G53 WeakPolarHBondContact CZ-O 3.41Å; F17-R55 HydrophobicContact CE1-CB 4.39Å; F17-D309 CarbonylContact O-C 3.58Å; F17-D309 WeakPolarHBondContact O-CA 3.19Å; F17-T310 WeakPolarHBondContact CB-O 3.42Å; F17-T310 PolarHBondContact N-O 3.29Å; F17-T310 PolarHBondContact O-N 3.38Å; F17-M312 HydrophobicContact CE2-CE 3.9Å; F17-M312 HydrophobicContact CE2-CG 4Å; F17-M312 HydrophobicContact CE2-SD 3.88Å; F17-M312 HydrophobicContact CZ-CE 4.47Å
18E95.1Very high95.5Very high145 Ų14548.3 Ų48.368%0.67826%0.255SS*.  trans-112.921-172-57.3-175.8157.900112.7V16 N20 D309V16-E18 HydrophobicContact CG1-CG 4.01Å; E18-N20 VanDerWaalsContact C-N 3.26Å; E18-N20 PolarHBondContact O-N 2.77Å; E18-D309 HydrophobicContact CG-CB 4.47Å
19E92.8Very high95.6Very high51 Ų5149 Ų4924%0.23826%0.258CS..  trans-69.5-22.4-17956.4-99.4-123.700114.2F17 V46 Y48 R55F17-E19 VanDerWaalsContact C-OE2 3.25Å; F17-E19 WeakPolarHBondContact CA-OE2 3.41Å; F17-E19 WeakPolarHBondContact CB-OE2 3.46Å; E19-V46 HydrophobicContact CG-CG2 4.33Å; E19-Y48 PolarHBondContact OE1-OH 3.35Å; E19-Y48 VanDerWaalsContact OE1-OH 3.09Å; E19-R55 WeakPolarHBondContact OE1-CD 3.33Å
20N95.9Very high95.7Very high1 Ų142.8 Ų42.81%0.00524%0.236CC..  trans-78.6132.5-176.2-80.4117.6000111E18 V24 S40 D42 S44 K308E18-N20 VanDerWaalsContact C-N 3.26Å; E18-N20 PolarHBondContact O-N 2.77Å; N20-V24 HydrophobicContact CB-CG2 4.22Å; N20-V24 WeakPolarHBondContact OD1-CG2 3.47Å; N20-S40 WeakPolarHBondContact ND2-CB 3.47Å; N20-S40 PolarHBondContact ND2-OG 3.4Å; N20-D42 VanDerWaalsContact CA-OD2 3.31Å; N20-D42 WeakPolarHBondContact CA-OD2 3.37Å; N20-D42 PolarHBondContact ND2-OD1 3Å; N20-D42 PolarHBondContact ND2-OD2 3.36Å; N20-S44 PolarHBondContact ND2-OG 3.35Å; N20-K308 VanDerWaalsContact CB-O 3.24Å; N20-K308 WeakPolarHBondContact CB-O 3.47Å; N20-K308 WeakPolarHBondContact O-CE 3.49Å; N20-K308 WeakPolarHBondContact O-CG 3.48Å
21T96.2Very high95.6Very high105 Ų10545.8 Ų45.864%0.64425%0.254SS*.SBendtrans-91.4-18179.557.40000112.7D42 K308T21-D42 PolarHBondContact N-OD2 3.16Å; T21-D42 VanDerWaalsContact OG1-CB 3.24Å; T21-D42 WeakPolarHBondContact OG1-CB 3.43Å; T21-D42 PolarHBondContact OG1-OD2 3.06Å; T21-K308 VanDerWaalsContact O-CE 3.31Å; T21-K308 WeakPolarHBondContact O-CE 3.32Å; T21-K308 PolarHBondContact O-NZ 3.28Å
22D96.1Very high95.3Very high70 Ų7047.4 Ų47.437%0.37427%0.272SS..SBendtrans-136.1-179.3175.9-145.8-23.8000111.8V24 S40 D41 D42D22-V24 PolarHBondContact O-N 2.76Å; D22-S40 PolarHBondContact O-OG 3.49Å; D22-D41 HydrophobicContact CB-CB 4.14Å; D22-D42 HydrophobicContact CB-CB 3.91Å
23V95.8Very high95.2Very high30 Ų3045.5 Ų45.518%0.18226%0.257CS..  trans-60.6125.1-173.1178.70000112.2N25 S40 D41 R292V23-N25 PolarHBondContact O-N 2.64Å; V23-S40 VanDerWaalsContact O-CA 3.31Å; V23-S40 WeakPolarHBondContact O-CA 3.42Å; V23-S40 PolarHBondContact O-OG 2.75Å; V23-S40 VanDerWaalsContact O-OG 3.08Å; V23-D41 PolarHBondContact O-N 3.25Å; V23-R292 HydrophobicContact CG1-CB 4.5Å; V23-R292 HydrophobicContact CG1-CG 4Å
24V97.9Very high95.2Very high0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-68.2112.2161.3-179.90000108.4N20 D22 I27 T38 A306 C307N20-V24 HydrophobicContact CB-CG2 4.22Å; N20-V24 WeakPolarHBondContact OD1-CG2 3.47Å; D22-V24 PolarHBondContact O-N 2.76Å; V24-I27 HydrophobicContact CG1-CG1 4.33Å; V24-T38 HydrophobicContact CG1-CG2 4.21Å; V24-A306 HydrophobicContact CB-CB 3.67Å; V24-A306 HydrophobicContact CG1-CB 3.6Å; V24-A306 HydrophobicContact CG2-CB 4.21Å; V24-C307 WeakPolarHBondContact CB-O 3.35Å; V24-C307 PolarHBondContact N-O 3.05Å
25N96.9Very high95.2Very high40 Ų4042.7 Ų42.721%0.21424%0.242CC..EExtended strand (participates in β ladder)trans-99.8-10-172.86862.5000113.4V23 G39 D41 V66 T67 L68 C293V23-N25 PolarHBondContact O-N 2.64Å; N25-G39 PolarHBondContact N-O 2.98Å; N25-D41 PolarHBondContact ND2-N 3.49Å; N25-D41 PolarHBondContact ND2-OD1 3.05Å; N25-V66 PolarHBondContact ND2-O 2.8Å; N25-T67 WeakPolarHBondContact OD1-CA 2.92Å; N25-L68 PolarHBondContact OD1-N 2.84Å; N25-C293 PolarHBondContact O-SG 2.94Å; N25-C293 VanDerWaalsContact O-SG 3.36Å
26S97.8Very high95.3Very high3 Ų338 Ų382%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-158.6140.8-179.4-1800000112T38 G39 I69 R70 C293S26-T38 WeakPolarHBondContact O-CA 3.37Å; S26-G39 PolarHBondContact N-O 2.83Å; S26-G39 PolarHBondContact O-N 2.98Å; S26-I69 PolarHBondContact OG-N 2.89Å; S26-I69 VanDerWaalsContact OG-N 3.12Å; S26-I69 PolarHBondContact OG-O 2.85Å; S26-R70 PolarHBondContact OG-NH1 3.08Å; S26-C293 PolarHBondContact N-SG 3.09Å
27I98.1Very high95.5Very high0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-125143.3172.7-57.6174.9000108.3V24 M36 I37 T38 C293 R295 V304 A306V24-I27 HydrophobicContact CG1-CG1 4.33Å; I27-M36 HydrophobicContact CG2-CE 3.87Å; I27-M36 HydrophobicContact CG2-CG 4.04Å; I27-M36 HydrophobicContact CG2-SD 3.72Å; I27-I37 WeakPolarHBondContact CA-O 3.43Å; I27-T38 HydrophobicContact CG1-CG2 4.15Å; I27-C293 HydrophobicContact CB-CB 4.4Å; I27-C293 HydrophobicContact CD1-CB 3.53Å; I27-C293 HydrophobicContact CG1-CB 3.63Å; I27-R295 WeakPolarHBondContact O-CD 3.47Å; I27-R295 VanDerWaalsContact O-CZ 3.3Å; I27-R295 PolarHBondContact O-NE 2.81Å; I27-V304 HydrophobicContact CD1-CG1 4.13Å; I27-A306 HydrophobicContact CD1-CB 3.72Å; I27-A306 HydrophobicContact CG1-CB 4.31Å
28D98Very high95.6Very high20 Ų2033.3 Ų33.311%0.10720%0.195CC..EExtended strand (participates in β ladder)trans-144.7151166.6-159.127.6000112.2M36 I37 R70 F71 R295D28-M36 CarbonylContact O-C 3.55Å; D28-M36 WeakPolarHBondContact O-CA 3.37Å; D28-I37 HydrophobicContact CB-CG2 3.91Å; D28-I37 PolarHBondContact N-O 3.12Å; D28-I37 PolarHBondContact O-N 3.09Å; D28-R70 WeakPolarHBondContact OD2-CA 3.24Å; D28-R70 WeakPolarHBondContact OD2-CD 3.27Å; D28-F71 HydrophobicContact CB-CD2 4.23Å; D28-F71 WeakPolarHBondContact O-CE2 3.44Å; D28-F71 PolarHBondContact OD2-N 3.06Å; D28-R295 IonicContact OD1-CZ 3.59Å; D28-R295 IonicContact OD1-NH1 3.17Å; D28-R295 PolarHBondContact OD1-NH1 2.99Å
29F96.8Very high95.7Very high15 Ų1526.4 Ų26.47%0.06616%0.163CC..EExtended strand (participates in β ladder)trans-102.6146.3170.8-74.9-84.4000109L35 M36 F71 R295 S297 P298 L302 V304F29-L35 WeakPolarHBondContact CA-O 3.46Å; F29-M36 HydrophobicContact CD1-CB 4.22Å; F29-M36 HydrophobicContact CD1-CE 3.76Å; F29-M36 HydrophobicContact CD2-CE 4.09Å; F29-M36 HydrophobicContact CE1-CB 4.3Å; F29-M36 HydrophobicContact CE1-CE 3.1Å; F29-M36 HydrophobicContact CE2-CE 3.48Å; F29-M36 VanDerWaalsContact CE2-CE 3.48Å; F29-M36 HydrophobicContact CG-CE 4.23Å; F29-M36 HydrophobicContact CZ-CE 2.96Å; F29-F71 WeakPolarHBondContact O-CD2 3.29Å; F29-R295 HydrophobicContact CD2-CB 4.1Å; F29-R295 HydrophobicContact CE2-CB 3.75Å; F29-S297 VanDerWaalsContact CZ-CA 3.47Å; F29-P298 HydrophobicContact CB-CG 4.34Å; F29-L302 HydrophobicContact CE1-CD2 4Å; F29-L302 HydrophobicContact CZ-CD2 4.35Å; F29-L302 HydrophobicContact CZ-CG 4.44Å; F29-V304 HydrophobicContact CZ-CG2 4.18Å
30N95.3Very high96Very high25 Ų2524 Ų2413%0.13415%0.151CC..  trans-69.1160.6168.772.5-23.8000109.8G32 G33 S34 L35 F71N30-G32 PolarHBondContact O-N 2.92Å; N30-G32 VanDerWaalsContact O-N 3.09Å; N30-G33 WeakPolarHBondContact O-CA 3.39Å; N30-G33 PolarHBondContact O-N 3.2Å; N30-G33 VanDerWaalsContact OD1-CA 3.3Å; N30-G33 WeakPolarHBondContact OD1-CA 3.35Å; N30-G33 PolarHBondContact OD1-N 3.17Å; N30-S34 PolarHBondContact ND2-OG 2.92Å; N30-S34 VanDerWaalsContact ND2-OG 3.07Å; N30-S34 PolarHBondContact OD1-N 3.13Å; N30-L35 HydrophobicContact CB-CB 4.31Å; N30-L35 PolarHBondContact N-O 3.04Å; N30-L35 PolarHBondContact OD1-N 3.38Å; N30-L35 PolarHBondContact OD1-O 2.82Å; N30-F71 HydrophobicContact CB-CB 4.45Å; N30-F71 HydrophobicContact CB-CD1 3.97Å; N30-F71 HydrophobicContact CB-CD2 3.92Å; N30-F71 HydrophobicContact CB-CE1 4.11Å; N30-F71 HydrophobicContact CB-CE2 4.02Å; N30-F71 HydrophobicContact CB-CG 3.86Å; N30-F71 HydrophobicContact CB-CZ 4.11Å; N30-F71 VanDerWaalsContact N-CE2 3.32Å
31P90.1Very high96Very high89 Ų8927.1 Ų27.158%0.57817%0.168SC*.THydrogen-bonded Turntrans-54.1-34.5-177.5-30.336.4000114.6G33P31-G33 VanDerWaalsContact C-N 3.32Å; P31-G33 PolarHBondContact O-N 3.43Å
32G89.3Confident96.1Very high42 Ų4223.5 Ų23.543%0.43315%0.145SC..THydrogen-bonded Turntrans-79.6-6.917600000115.2N30 S34 T299N30-G32 PolarHBondContact O-N 2.92Å; N30-G32 VanDerWaalsContact O-N 3.09Å; G32-S34 PolarHBondContact O-N 3Å; G32-S34 VanDerWaalsContact O-N 3.12Å; G32-T299 WeakPolarHBondContact O-CG2 3.2Å; G32-T299 PolarHBondContact O-OG1 2.78Å
33G92.7Very high96.2Very high0 Ų020.9 Ų20.90%013%0.131CC..SBendtrans63.67.5-17700000116N30 P31 L35 C50 T299 H300N30-G33 WeakPolarHBondContact O-CA 3.39Å; N30-G33 PolarHBondContact O-N 3.2Å; N30-G33 VanDerWaalsContact OD1-CA 3.3Å; N30-G33 WeakPolarHBondContact OD1-CA 3.35Å; N30-G33 PolarHBondContact OD1-N 3.17Å; P31-G33 VanDerWaalsContact C-N 3.32Å; P31-G33 PolarHBondContact O-N 3.43Å; G33-L35 VanDerWaalsContact C-N 3.34Å; G33-C50 WeakPolarHBondContact O-CB 3.39Å; G33-C50 PolarHBondContact O-SG 2.96Å; G33-C50 VanDerWaalsContact O-SG 3.38Å; G33-T299 VanDerWaalsContact CA-OG1 3.31Å; G33-T299 WeakPolarHBondContact CA-OG1 3.43Å; G33-H300 PolarHBondContact O-ND1 2.6Å
34S94Very high96.3Very high50 Ų5019.5 Ų19.535%0.3512%0.123SC..SBendtrans-75.7-22.3177.458.40000113.4N30 G32 C50N30-S34 PolarHBondContact ND2-OG 2.92Å; N30-S34 VanDerWaalsContact ND2-OG 3.07Å; N30-S34 PolarHBondContact OD1-N 3.13Å; G32-S34 PolarHBondContact O-N 3Å; G32-S34 VanDerWaalsContact O-N 3.12Å; S34-C50 WeakPolarHBondContact O-CB 3.24Å; S34-C50 PolarHBondContact O-N 3.15Å
35L95.5Very high96.3Very high14 Ų1419.6 Ų19.67%0.07312%0.123CC..EExtended strand (participates in β ladder)trans-126.9150.3179.5-61.8173.8000110.9F29 N30 G33 L47 Y48 K56 F71F29-L35 WeakPolarHBondContact CA-O 3.46Å; N30-L35 HydrophobicContact CB-CB 4.31Å; N30-L35 PolarHBondContact N-O 3.04Å; N30-L35 PolarHBondContact OD1-N 3.38Å; N30-L35 PolarHBondContact OD1-O 2.82Å; G33-L35 VanDerWaalsContact C-N 3.34Å; L35-L47 HydrophobicContact CB-CD1 4.07Å; L35-L47 HydrophobicContact CD1-CD1 4.31Å; L35-L47 HydrophobicContact CD2-CD1 4.46Å; L35-Y48 WeakPolarHBondContact CA-O 3.41Å; L35-Y48 WeakPolarHBondContact CD2-O 3.49Å; L35-K56 HydrophobicContact CD2-CD 3.84Å; L35-F71 HydrophobicContact CB-CZ 3.94Å
36M96.6Very high96.3Very high0 Ų017.7 Ų17.70%011%0.113CC..EExtended strand (participates in β ladder)trans-127.1144170.7168173.9-60.200110.3I27 D28 F29 T38 L47 Y48 V304I27-M36 HydrophobicContact CG2-CE 3.87Å; I27-M36 HydrophobicContact CG2-CG 4.04Å; I27-M36 HydrophobicContact CG2-SD 3.72Å; D28-M36 CarbonylContact O-C 3.55Å; D28-M36 WeakPolarHBondContact O-CA 3.37Å; F29-M36 HydrophobicContact CD1-CB 4.22Å; F29-M36 HydrophobicContact CD1-CE 3.76Å; F29-M36 HydrophobicContact CD2-CE 4.09Å; F29-M36 HydrophobicContact CE1-CB 4.3Å; F29-M36 HydrophobicContact CE1-CE 3.1Å; F29-M36 HydrophobicContact CE2-CE 3.48Å; F29-M36 VanDerWaalsContact CE2-CE 3.48Å; F29-M36 HydrophobicContact CG-CE 4.23Å; F29-M36 HydrophobicContact CZ-CE 2.96Å; M36-T38 HydrophobicContact SD-CG2 4.49Å; M36-L47 CarbonylContact O-C 3.56Å; M36-L47 WeakPolarHBondContact O-CA 3.45Å; M36-L47 WeakPolarHBondContact O-CD1 3.31Å; M36-Y48 HydrophobicContact CG-CD2 4.29Å; M36-Y48 PolarHBondContact N-O 3Å; M36-Y48 VanDerWaalsContact N-O 3.08Å; M36-Y48 PolarHBondContact O-N 3.48Å; M36-V304 HydrophobicContact CE-CB 3.39Å; M36-V304 HydrophobicContact CE-CG1 3.98Å; M36-V304 HydrophobicContact CE-CG2 3.07Å; M36-V304 HydrophobicContact SD-CB 3.69Å; M36-V304 HydrophobicContact SD-CG1 3.53Å; M36-V304 VanDerWaalsContact SD-CG1 3.53Å; M36-V304 HydrophobicContact SD-CG2 3.59Å; M36-V304 VanDerWaalsContact SD-CG2 3.59Å
37I97.9Very high96.3Very high0 Ų017.8 Ų17.80%011%0.113CC..EExtended strand (participates in β ladder)trans-120.7140.8171.4-163.271.7000110.5I27 D28 I45 V46 L47 I69 F71 V78 L94I27-I37 WeakPolarHBondContact CA-O 3.43Å; D28-I37 HydrophobicContact CB-CG2 3.91Å; D28-I37 PolarHBondContact N-O 3.12Å; D28-I37 PolarHBondContact O-N 3.09Å; I37-I45 HydrophobicContact CD1-CG2 3.29Å; I37-I45 HydrophobicContact CG1-CG2 3.7Å; I37-V46 CarbonylContact C-O 3.6Å; I37-V46 WeakPolarHBondContact CA-O 3.47Å; I37-V46 VanDerWaalsContact CD1-O 3.23Å; I37-V46 WeakPolarHBondContact CD1-O 3.3Å; I37-L47 HydrophobicContact CD1-CB 3.83Å; I37-L47 HydrophobicContact CD1-CD1 4.02Å; I37-I69 HydrophobicContact CG1-CD1 3.57Å; I37-I69 HydrophobicContact CG1-CG1 4.12Å; I37-I69 HydrophobicContact CG2-CD1 4.47Å; I37-I69 HydrophobicContact CG2-CG1 4.1Å; I37-I69 HydrophobicContact CG2-CG2 4.15Å; I37-F71 HydrophobicContact CB-CD2 4.39Å; I37-F71 HydrophobicContact CB-CE2 3.65Å; I37-F71 HydrophobicContact CB-CZ 3.72Å; I37-F71 HydrophobicContact CG2-CD2 3.74Å; I37-F71 HydrophobicContact CG2-CE2 3.48Å; I37-F71 VanDerWaalsContact CG2-CE2 3.48Å; I37-F71 HydrophobicContact CG2-CG 4.5Å; I37-F71 HydrophobicContact CG2-CZ 4Å; I37-V78 HydrophobicContact CG1-CG1 4.32Å; I37-V78 HydrophobicContact CG2-CG1 4.41Å; I37-L94 HydrophobicContact CD1-CD1 4.08Å; I37-L94 HydrophobicContact CD1-CD2 4.41Å
38T98.3Very high96.2Very high0 Ų017.8 Ų17.80%011%0.113CC..EExtended strand (participates in β ladder)trans-118.2149.2167.666.70000110.6V24 S26 I27 M36 I45 V46 Y48 T310V24-T38 HydrophobicContact CG1-CG2 4.21Å; S26-T38 WeakPolarHBondContact O-CA 3.37Å; I27-T38 HydrophobicContact CG1-CG2 4.15Å; M36-T38 HydrophobicContact SD-CG2 4.49Å; T38-I45 VanDerWaalsContact O-CA 3.29Å; T38-I45 WeakPolarHBondContact O-CA 3.3Å; T38-V46 PolarHBondContact N-O 2.79Å; T38-V46 PolarHBondContact O-N 2.82Å; T38-Y48 HydrophobicContact CG2-CD2 4.4Å; T38-Y48 HydrophobicContact CG2-CE2 3.73Å; T38-T310 HydrophobicContact CG2-CG2 4.19Å
39G98.2Very high96.1Very high0 Ų018.6 Ų18.60%012%0.117CC..EExtended strand (participates in β ladder)trans-125134.1170.900000109.6N25 S26N25-G39 PolarHBondContact N-O 2.98Å; S26-G39 PolarHBondContact N-O 2.83Å; S26-G39 PolarHBondContact O-N 2.98Å
40S98.2Very high96Very high0 Ų018.4 Ų18.40%012%0.118CC..EExtended strand (participates in β ladder)trans-124.9155.7-175.8175.30000112.5N20 D22 V23 D42 D43 S44N20-S40 WeakPolarHBondContact ND2-CB 3.47Å; N20-S40 PolarHBondContact ND2-OG 3.4Å; D22-S40 PolarHBondContact O-OG 3.49Å; V23-S40 VanDerWaalsContact O-CA 3.31Å; V23-S40 WeakPolarHBondContact O-CA 3.42Å; V23-S40 PolarHBondContact O-OG 2.75Å; V23-S40 VanDerWaalsContact O-OG 3.08Å; S40-D42 VanDerWaalsContact CB-OD1 3.26Å; S40-D42 WeakPolarHBondContact CB-OD1 3.36Å; S40-D42 PolarHBondContact O-N 2.8Å; S40-D42 VanDerWaalsContact OG-CG 3.29Å; S40-D42 PolarHBondContact OG-N 2.83Å; S40-D42 PolarHBondContact OG-OD1 3.49Å; S40-D43 PolarHBondContact O-N 3.23Å; S40-D43 VanDerWaalsContact O-N 3.11Å; S40-S44 PolarHBondContact N-O 3.25Å; S40-S44 VanDerWaalsContact N-O 3.07Å
41D97.2Very high95.9Very high67 Ų6721 Ų2136%0.35814%0.138SC..THydrogen-bonded Turntrans-65.3-11.9174.5-70.4-12.6000112.6D22 V23 N25 D43D22-D41 HydrophobicContact CB-CB 4.14Å; V23-D41 PolarHBondContact O-N 3.25Å; N25-D41 PolarHBondContact ND2-N 3.49Å; N25-D41 PolarHBondContact ND2-OD1 3.05Å; D41-D43 PolarHBondContact O-N 3.45Å
42D97.5Very high96Very high28 Ų2821.9 Ų21.915%0.1514%0.138CC..THydrogen-bonded Turntrans-82.212169.970.813.5000114.7N20 T21 D22 S40 S44N20-D42 VanDerWaalsContact CA-OD2 3.31Å; N20-D42 WeakPolarHBondContact CA-OD2 3.37Å; N20-D42 PolarHBondContact ND2-OD1 3Å; N20-D42 PolarHBondContact ND2-OD2 3.36Å; T21-D42 PolarHBondContact N-OD2 3.16Å; T21-D42 VanDerWaalsContact OG1-CB 3.24Å; T21-D42 WeakPolarHBondContact OG1-CB 3.43Å; T21-D42 PolarHBondContact OG1-OD2 3.06Å; D22-D42 HydrophobicContact CB-CB 3.91Å; S40-D42 VanDerWaalsContact CB-OD1 3.26Å; S40-D42 WeakPolarHBondContact CB-OD1 3.36Å; S40-D42 PolarHBondContact O-N 2.8Å; S40-D42 VanDerWaalsContact OG-CG 3.29Å; S40-D42 PolarHBondContact OG-N 2.83Å; S40-D42 PolarHBondContact OG-OD1 3.49Å; D42-S44 PolarHBondContact O-N 3.07Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.1Å; D42-S44 PolarHBondContact OD1-OG 3.16Å
43D97.9Very high96.2Very high16 Ų1620.4 Ų20.49%0.08612%0.123CC..SBendtrans70.21.8-176-46.6-46.3000116.3S40 D41 N60 S61 G65 V66 K84S40-D43 PolarHBondContact O-N 3.23Å; S40-D43 VanDerWaalsContact O-N 3.11Å; D41-D43 PolarHBondContact O-N 3.45Å; D43-N60 WeakPolarHBondContact O-CA 3.43Å; D43-S61 PolarHBondContact O-N 3.49Å; D43-G65 VanDerWaalsContact OD1-CA 3.29Å; D43-G65 WeakPolarHBondContact OD1-CA 3.22Å; D43-V66 WeakPolarHBondContact O-CG2 3.47Å; D43-K84 WeakPolarHBondContact OD1-CE 3.3Å; D43-K84 IonicContact OD1-NZ 2.66Å; D43-K84 PolarHBondContact OD1-NZ 2.59Å; D43-K84 IonicContact OD2-NZ 3.97Å; D43-K84 PolarHBondContact OD2-NZ 3.38Å
44S97.7Very high96.4Very high1 Ų123.6 Ų23.61%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-80.8147.3-179.170.80000112.5N20 S40 D42N20-S44 PolarHBondContact ND2-OG 3.35Å; S40-S44 PolarHBondContact N-O 3.25Å; S40-S44 VanDerWaalsContact N-O 3.07Å; D42-S44 PolarHBondContact O-N 3.07Å; D42-S44 WeakPolarHBondContact OD1-CB 3.38Å; D42-S44 PolarHBondContact OD1-N 3.1Å; D42-S44 PolarHBondContact OD1-OG 3.16Å
45I98Very high96.5Very high1 Ų127 Ų271%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-121.3114.5169.6-63.5177.2000105.7I37 T38 Q58 V59 V66 I69 L92 L94I37-I45 HydrophobicContact CD1-CG2 3.29Å; I37-I45 HydrophobicContact CG1-CG2 3.7Å; T38-I45 VanDerWaalsContact O-CA 3.29Å; T38-I45 WeakPolarHBondContact O-CA 3.3Å; I45-Q58 VanDerWaalsContact O-CA 3.32Å; I45-Q58 WeakPolarHBondContact O-CA 3.43Å; I45-V59 HydrophobicContact CB-CG2 3.69Å; I45-V59 HydrophobicContact CD1-CG2 4.3Å; I45-V59 HydrophobicContact CG1-CG2 4.45Å; I45-V59 HydrophobicContact CG2-CG2 3.96Å; I45-V59 PolarHBondContact N-O 3.06Å; I45-V59 PolarHBondContact O-N 3.41Å; I45-V66 HydrophobicContact CD1-CG1 4.26Å; I45-V66 HydrophobicContact CD1-CG2 3.91Å; I45-V66 HydrophobicContact CG1-CB 4.42Å; I45-V66 HydrophobicContact CG1-CG1 3.92Å; I45-V66 HydrophobicContact CG1-CG2 3.63Å; I45-I69 HydrophobicContact CB-CD1 4.18Å; I45-I69 HydrophobicContact CD1-CD1 3.85Å; I45-I69 HydrophobicContact CG1-CD1 3.78Å; I45-I69 HydrophobicContact CG2-CD1 3.49Å; I45-I69 VanDerWaalsContact CG2-CD1 3.49Å; I45-L92 HydrophobicContact CD1-CD2 3.72Å; I45-L94 HydrophobicContact CG2-CD2 4.12Å
46V97.6Very high96.5Very high0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-114.2124.4-177.3-166.10000110E19 I37 T38 Y48 R55 Q58E19-V46 HydrophobicContact CG-CG2 4.33Å; I37-V46 CarbonylContact C-O 3.6Å; I37-V46 WeakPolarHBondContact CA-O 3.47Å; I37-V46 VanDerWaalsContact CD1-O 3.23Å; I37-V46 WeakPolarHBondContact CD1-O 3.3Å; T38-V46 PolarHBondContact N-O 2.79Å; T38-V46 PolarHBondContact O-N 2.82Å; V46-Y48 HydrophobicContact CB-CE2 3.68Å; V46-Y48 HydrophobicContact CG1-CD2 4.28Å; V46-Y48 HydrophobicContact CG1-CE1 3.89Å; V46-Y48 HydrophobicContact CG1-CE2 3.57Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.46Å; V46-R55 HydrophobicContact CG1-CG 3.85Å; V46-Q58 HydrophobicContact CG2-CG 4.19Å
47L97.1Very high96.3Very high5 Ų536.2 Ų36.23%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-101.5130177.9-177.170.7000109.2L35 M36 I37 K56 R57 F71 L94L35-L47 HydrophobicContact CB-CD1 4.07Å; L35-L47 HydrophobicContact CD1-CD1 4.31Å; L35-L47 HydrophobicContact CD2-CD1 4.46Å; M36-L47 CarbonylContact O-C 3.56Å; M36-L47 WeakPolarHBondContact O-CA 3.45Å; M36-L47 WeakPolarHBondContact O-CD1 3.31Å; I37-L47 HydrophobicContact CD1-CB 3.83Å; I37-L47 HydrophobicContact CD1-CD1 4.02Å; L47-K56 HydrophobicContact CD2-CB 4.41Å; L47-K56 HydrophobicContact CD2-CD 3.86Å; L47-K56 HydrophobicContact CD2-CG 4.27Å; L47-K56 HydrophobicContact CG-CB 4.33Å; L47-K56 HydrophobicContact CG-CD 4.38Å; L47-K56 WeakPolarHBondContact O-CA 3.12Å; L47-K56 WeakPolarHBondContact O-CB 3.24Å; L47-K56 PolarHBondContact O-N 3.38Å; L47-R57 HydrophobicContact CB-CB 4.17Å; L47-R57 HydrophobicContact CD2-CB 4.39Å; L47-R57 PolarHBondContact N-O 2.91Å; L47-R57 PolarHBondContact O-N 3.29Å; L47-R57 VanDerWaalsContact O-N 3.12Å; L47-F71 HydrophobicContact CD1-CE1 4.09Å; L47-F71 HydrophobicContact CD1-CZ 3.68Å; L47-L94 HydrophobicContact CD1-CD1 3.94Å; L47-L94 HydrophobicContact CD2-CD1 4.2Å
48Y96.9Very high96.2Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-118.5148.4179.2-55-93.8000111F17 E19 L35 M36 T38 V46 T54 R55 M312F17-Y48 HydrophobicContact CB-CE1 4.16Å; F17-Y48 HydrophobicContact CD1-CD1 4.29Å; F17-Y48 AromaticContact CD1-CE1 3.67Å; F17-Y48 HydrophobicContact CD1-CE1 3.67Å; F17-Y48 HydrophobicContact CD2-CD1 4.29Å; F17-Y48 AromaticContact CD2-CE1 3.85Å; F17-Y48 HydrophobicContact CD2-CE1 3.85Å; F17-Y48 HydrophobicContact CE1-CD1 4.08Å; F17-Y48 AromaticContact CE1-CE1 3.93Å; F17-Y48 HydrophobicContact CE1-CE1 3.93Å; F17-Y48 HydrophobicContact CE2-CD1 4.07Å; F17-Y48 HydrophobicContact CE2-CE1 4.09Å; F17-Y48 HydrophobicContact CG-CD1 4.39Å; F17-Y48 AromaticContact CG-CE1 3.62Å; F17-Y48 HydrophobicContact CG-CE1 3.62Å; F17-Y48 AromaticContact CZ-CD1 3.95Å; F17-Y48 HydrophobicContact CZ-CD1 3.95Å; F17-Y48 HydrophobicContact CZ-CE1 4.12Å; E19-Y48 PolarHBondContact OE1-OH 3.35Å; E19-Y48 VanDerWaalsContact OE1-OH 3.09Å; L35-Y48 WeakPolarHBondContact CA-O 3.41Å; L35-Y48 WeakPolarHBondContact CD2-O 3.49Å; M36-Y48 HydrophobicContact CG-CD2 4.29Å; M36-Y48 PolarHBondContact N-O 3Å; M36-Y48 VanDerWaalsContact N-O 3.08Å; M36-Y48 PolarHBondContact O-N 3.48Å; T38-Y48 HydrophobicContact CG2-CD2 4.4Å; T38-Y48 HydrophobicContact CG2-CE2 3.73Å; V46-Y48 HydrophobicContact CB-CE2 3.68Å; V46-Y48 HydrophobicContact CG1-CD2 4.28Å; V46-Y48 HydrophobicContact CG1-CE1 3.89Å; V46-Y48 HydrophobicContact CG1-CE2 3.57Å; V46-Y48 WeakPolarHBondContact CG1-OH 3.46Å; Y48-T54 CarbonylContact C-O 3.57Å; Y48-T54 WeakPolarHBondContact CA-O 3.42Å; Y48-R55 HydrophobicContact CD1-CB 4.15Å; Y48-R55 HydrophobicContact CE1-CB 4.2Å; Y48-M312 HydrophobicContact CD1-CE 4.13Å; Y48-M312 HydrophobicContact CG-CE 3.98Å
49D95.6Very high96.1Very high37 Ų3739.8 Ų39.820%0.19820%0.201CC..EExtended strand (participates in β ladder)trans-89.9116.5166.6-178.1-46.2000108.6S51 N52 G53 T54D49-S51 PolarHBondContact OD1-N 3.38Å; D49-N52 HydrophobicContact CB-CB 4.5Å; D49-N52 PolarHBondContact OD1-N 2.81Å; D49-N52 PolarHBondContact OD1-ND2 2.71Å; D49-N52 PolarHBondContact OD2-ND2 2.56Å; D49-G53 WeakPolarHBondContact O-CA 3.45Å; D49-G53 PolarHBondContact O-N 3.06Å; D49-T54 PolarHBondContact N-O 3.44Å; D49-T54 PolarHBondContact O-N 2.76Å
50C95.3Very high96Very high12 Ų1243.2 Ų43.28%0.08122%0.22CC..THydrogen-bonded Turntrans-74.2-28.1-176.2-64.10000113.1G33 S34 L302G33-C50 WeakPolarHBondContact O-CB 3.39Å; G33-C50 PolarHBondContact O-SG 2.96Å; G33-C50 VanDerWaalsContact O-SG 3.38Å; S34-C50 WeakPolarHBondContact O-CB 3.24Å; S34-C50 PolarHBondContact O-N 3.15Å; C50-L302 HydrophobicContact CB-CD2 3.71Å
51S92.3Very high95.9Very high78 Ų7843.3 Ų43.355%0.54522%0.22SC..THydrogen-bonded Turntrans-76.1-37-177.7-57.20000111.1D49D49-S51 PolarHBondContact OD1-N 3.38Å
52N92.5Very high95.9Very high109 Ų10947.1 Ų47.158%0.58323%0.234SC*.THydrogen-bonded Turntrans-95.4-14.4180-64.8-51.9000113.2D49 T54D49-N52 HydrophobicContact CB-CB 4.5Å; D49-N52 PolarHBondContact OD1-N 2.81Å; D49-N52 PolarHBondContact OD1-ND2 2.71Å; D49-N52 PolarHBondContact OD2-ND2 2.56Å; N52-T54 VanDerWaalsContact C-N 3.34Å; N52-T54 HydrophobicContact CB-CG2 4.1Å
53G93.9Very high95.9Very high11 Ų1151.8 Ų51.811%0.11325%0.253CS..THydrogen-bonded Turntrans59.945.5-173.300000111.5F17 D49F17-G53 WeakPolarHBondContact CZ-O 3.41Å; D49-G53 WeakPolarHBondContact O-CA 3.45Å; D49-G53 PolarHBondContact O-N 3.06Å
54T96.4Very high95.9Very high66 Ų6652.1 Ų52.141%0.40525%0.253SS..EExtended strand (participates in β ladder)trans-128.4150.7-176.658.50000111.9Y48 D49 N52 K56Y48-T54 CarbonylContact C-O 3.57Å; Y48-T54 WeakPolarHBondContact CA-O 3.42Å; D49-T54 PolarHBondContact N-O 3.44Å; D49-T54 PolarHBondContact O-N 2.76Å; N52-T54 VanDerWaalsContact C-N 3.34Å; N52-T54 HydrophobicContact CB-CG2 4.1Å; T54-K56 PolarHBondContact O-N 3.45Å
55R95.9Very high95.9Very high123 Ų12352 Ų5246%0.46425%0.253SS..EExtended strand (participates in β ladder)trans-71.5125.3169.3176.1-178.9163.8-131.81.8109.6F17 E19 V46 Y48F17-R55 HydrophobicContact CE1-CB 4.39Å; E19-R55 WeakPolarHBondContact OE1-CD 3.33Å; V46-R55 HydrophobicContact CG1-CG 3.85Å; Y48-R55 HydrophobicContact CD1-CB 4.15Å; Y48-R55 HydrophobicContact CE1-CB 4.2Å
56K94.8Very high95.9Very high109 Ų10952 Ų5247%0.47425%0.252SS..EExtended strand (participates in β ladder)trans-95.7-42179.8-174.1176.7175.3-175.80112.5L35 L47 T54L35-K56 HydrophobicContact CD2-CD 3.84Å; L47-K56 HydrophobicContact CD2-CB 4.41Å; L47-K56 HydrophobicContact CD2-CD 3.86Å; L47-K56 HydrophobicContact CD2-CG 4.27Å; L47-K56 HydrophobicContact CG-CB 4.33Å; L47-K56 HydrophobicContact CG-CD 4.38Å; L47-K56 WeakPolarHBondContact O-CA 3.12Å; L47-K56 WeakPolarHBondContact O-CB 3.24Å; L47-K56 PolarHBondContact O-N 3.38Å; T54-K56 PolarHBondContact O-N 3.45Å
57R94.2Very high95.9Very high97 Ų9752.9 Ų52.937%0.36626%0.258SS..EExtended strand (participates in β ladder)trans-157.6154.1-176.9-169.9171.9-68.8-154.8-3111.3L47 V59 L94 H95L47-R57 HydrophobicContact CB-CB 4.17Å; L47-R57 HydrophobicContact CD2-CB 4.39Å; L47-R57 PolarHBondContact N-O 2.91Å; L47-R57 PolarHBondContact O-N 3.29Å; L47-R57 VanDerWaalsContact O-N 3.12Å; R57-V59 HydrophobicContact CG-CG1 4.26Å; R57-L94 WeakPolarHBondContact CD-O 3.3Å; R57-L94 PolarHBondContact NH1-O 3.21Å; R57-H95 PolarHBondContact NH1-O 3.32Å
58Q95.3Very high96Very high62 Ų6254.1 Ų54.129%0.2926%0.264SS..EExtended strand (participates in β ladder)trans-132.4136.6164.2-179.6178.61.600109.2I45 V46I45-Q58 VanDerWaalsContact O-CA 3.32Å; I45-Q58 WeakPolarHBondContact O-CA 3.43Å; V46-Q58 HydrophobicContact CG2-CG 4.19Å
59V95.7Very high96Very high13 Ų1354.1 Ų54.18%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-130.3156.8170.3-60.40000108.4I45 R57 L92 L94 N97I45-V59 HydrophobicContact CB-CG2 3.69Å; I45-V59 HydrophobicContact CD1-CG2 4.3Å; I45-V59 HydrophobicContact CG1-CG2 4.45Å; I45-V59 HydrophobicContact CG2-CG2 3.96Å; I45-V59 PolarHBondContact N-O 3.06Å; I45-V59 PolarHBondContact O-N 3.41Å; R57-V59 HydrophobicContact CG-CG1 4.26Å; V59-L92 HydrophobicContact CG2-CD2 3.98Å; V59-L94 HydrophobicContact CG2-CD2 4.4Å; V59-N97 HydrophobicContact CG1-CB 4.41Å; V59-N97 WeakPolarHBondContact CG1-OD1 3.36Å
60N95.6Very high96.2Very high73 Ų7353.8 Ų53.839%0.3926%0.26SS..EExtended strand (participates in β ladder)trans-121.2133.4180-66.231.2000110.2D43 K62D43-N60 WeakPolarHBondContact O-CA 3.43Å; N60-K62 VanDerWaalsContact C-N 3.33Å; N60-K62 HydrophobicContact CB-CG 3.83Å; N60-K62 PolarHBondContact O-N 2.94Å
61S97Very high96.3Very high1 Ų153.7 Ų53.71%0.00726%0.258CS..  trans-95.949.5173.5-175.20000110.5D43 K63 Y64 G65 V66 H80 Y99D43-S61 PolarHBondContact O-N 3.49Å; S61-K63 PolarHBondContact O-N 2.88Å; S61-Y64 PolarHBondContact O-N 3.42Å; S61-G65 VanDerWaalsContact CB-O 3.32Å; S61-G65 WeakPolarHBondContact CB-O 3.48Å; S61-G65 WeakPolarHBondContact O-CA 3.42Å; S61-G65 PolarHBondContact O-N 3.41Å; S61-G65 PolarHBondContact OG-O 2.77Å; S61-V66 VanDerWaalsContact CB-CG2 3.47Å; S61-H80 PolarHBondContact OG-CE1 2.96Å; S61-H80 VanDerWaalsContact OG-CE1 3.31Å; S61-Y99 PolarHBondContact OG-OH 3.47Å
62K96.6Very high96.5Very high147 Ų14750.1 Ų50.164%0.63923%0.233SC*.THydrogen-bonded Turntrans-52.3-36.3-168.1-64.4-169.2175.9-175.80114.7N60N60-K62 VanDerWaalsContact C-N 3.33Å; N60-K62 HydrophobicContact CB-CG 3.83Å; N60-K62 PolarHBondContact O-N 2.94Å
63K97.4Very high96.4Very high127 Ų12748.2 Ų48.255%0.55222%0.223SC*.THydrogen-bonded Turntrans-71.7-38.6-179.6-177.8177.1174.9-174.20112.4S61 V85S61-K63 PolarHBondContact O-N 2.88Å; K63-V85 HydrophobicContact CG-CG2 4.16Å; K63-V85 WeakPolarHBondContact O-CG2 3.36Å
64Y97.7Very high96Very high22 Ų2250.1 Ų50.19%0.08624%0.238CC..THydrogen-bonded Turntrans-107.9-17.4-170.2-55.3-67.7000113.3S61 S82 N83 K84 V85 R90 Y99 Y102S61-Y64 PolarHBondContact O-N 3.42Å; Y64-S82 WeakPolarHBondContact O-CA 3.12Å; Y64-S82 WeakPolarHBondContact O-CB 3.31Å; Y64-N83 PolarHBondContact O-N 2.95Å; Y64-N83 PolarHBondContact O-OD1 2.88Å; Y64-K84 PolarHBondContact O-N 2.83Å; Y64-K84 VanDerWaalsContact O-N 3.16Å; Y64-V85 HydrophobicContact CD1-CB 4.49Å; Y64-R90 HydrophobicContact CD2-CG 4.48Å; Y64-R90 HydrophobicContact CG-CG 4.49Å; Y64-Y99 HydrophobicContact CD2-CE2 4.08Å; Y64-Y99 AromaticContact CD2-CZ 3.81Å; Y64-Y99 HydrophobicContact CE2-CD2 4.42Å; Y64-Y99 AromaticContact CE2-CE2 3.81Å; Y64-Y99 HydrophobicContact CE2-CE2 3.81Å; Y64-Y102 HydrophobicContact CE2-CE1 4.11Å; Y64-Y102 AromaticContact CZ-CE1 3.91Å
65G98.1Very high95.3Very high0 Ų055.3 Ų55.30%026%0.258CS..  trans60.6-167.6-162.800000112.2D43 S61 H80 N83D43-G65 VanDerWaalsContact OD1-CA 3.29Å; D43-G65 WeakPolarHBondContact OD1-CA 3.22Å; S61-G65 VanDerWaalsContact CB-O 3.32Å; S61-G65 WeakPolarHBondContact CB-O 3.48Å; S61-G65 WeakPolarHBondContact O-CA 3.42Å; S61-G65 PolarHBondContact O-N 3.41Å; S61-G65 PolarHBondContact OG-O 2.77Å; G65-H80 PolarHBondContact O-CE1 3.37Å; G65-H80 VanDerWaalsContact O-CE1 3.23Å; G65-H80 PolarHBondContact O-ND1 2.89Å; G65-N83 WeakPolarHBondContact CA-OD1 3.45Å
66V98.2Very high95Very high0 Ų051.1 Ų51.10%024%0.244CC..  trans-145.6123.2-173.1-170.90000110.6N25 D43 I45 S61 I69 H80 N83N25-V66 PolarHBondContact ND2-O 2.8Å; D43-V66 WeakPolarHBondContact O-CG2 3.47Å; I45-V66 HydrophobicContact CD1-CG1 4.26Å; I45-V66 HydrophobicContact CD1-CG2 3.91Å; I45-V66 HydrophobicContact CG1-CB 4.42Å; I45-V66 HydrophobicContact CG1-CG1 3.92Å; I45-V66 HydrophobicContact CG1-CG2 3.63Å; S61-V66 VanDerWaalsContact CB-CG2 3.47Å; V66-I69 HydrophobicContact CG1-CB 4.33Å; V66-I69 HydrophobicContact CG1-CD1 4.28Å; V66-H80 HydrophobicContact CG1-CB 4Å; V66-N83 PolarHBondContact N-OD1 2.81Å
67T97.9Very high95Very high18 Ų1846.1 Ų46.111%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-136.4157.6165.560.70000110.7N25 I69 H80 G81 N83N25-T67 WeakPolarHBondContact OD1-CA 2.92Å; T67-I69 VanDerWaalsContact C-N 3.27Å; T67-I69 PolarHBondContact O-N 3.05Å; T67-I69 VanDerWaalsContact O-N 3.13Å; T67-H80 WeakPolarHBondContact O-CB 3.35Å; T67-G81 PolarHBondContact N-O 3.35Å; T67-G81 PolarHBondContact O-N 2.98Å; T67-G81 PolarHBondContact OG1-O 2.81Å; T67-N83 HydrophobicContact CG2-CB 3.73Å; T67-N83 WeakPolarHBondContact CG2-ND2 3.29Å
68L97.9Very high95.2Very high31 Ų3141.5 Ų41.516%0.16221%0.206CC..EExtended strand (participates in β ladder)trans55.535.7167.9-52.8169.5000114.4N25 R70 V110 I111 L113N25-L68 PolarHBondContact OD1-N 2.84Å; L68-R70 PolarHBondContact O-N 3.19Å; L68-V110 HydrophobicContact CD1-CB 4.49Å; L68-V110 HydrophobicContact CD1-CG1 3.88Å; L68-V110 WeakPolarHBondContact CD1-O 3.39Å; L68-I111 VanDerWaalsContact CD1-C 3.49Å; L68-L113 HydrophobicContact CB-CB 4.03Å; L68-L113 HydrophobicContact CD1-CB 4.34Å; L68-L113 WeakPolarHBondContact O-CD2 3.37Å
69I98.5Very high95.3Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-61.1134.5-175.2-167.1157000112.3S26 I37 I45 V66 T67 V78 V79 H80S26-I69 PolarHBondContact OG-N 2.89Å; S26-I69 VanDerWaalsContact OG-N 3.12Å; S26-I69 PolarHBondContact OG-O 2.85Å; I37-I69 HydrophobicContact CG1-CD1 3.57Å; I37-I69 HydrophobicContact CG1-CG1 4.12Å; I37-I69 HydrophobicContact CG2-CD1 4.47Å; I37-I69 HydrophobicContact CG2-CG1 4.1Å; I37-I69 HydrophobicContact CG2-CG2 4.15Å; I45-I69 HydrophobicContact CB-CD1 4.18Å; I45-I69 HydrophobicContact CD1-CD1 3.85Å; I45-I69 HydrophobicContact CG1-CD1 3.78Å; I45-I69 HydrophobicContact CG2-CD1 3.49Å; I45-I69 VanDerWaalsContact CG2-CD1 3.49Å; V66-I69 HydrophobicContact CG1-CB 4.33Å; V66-I69 HydrophobicContact CG1-CD1 4.28Å; T67-I69 VanDerWaalsContact C-N 3.27Å; T67-I69 PolarHBondContact O-N 3.05Å; T67-I69 VanDerWaalsContact O-N 3.13Å; I69-V78 HydrophobicContact CD1-CB 4.43Å; I69-V78 HydrophobicContact CD1-CG2 4.17Å; I69-V78 HydrophobicContact CG1-CB 4.2Å; I69-V78 HydrophobicContact CG1-CG2 4.41Å; I69-V79 CarbonylContact C-O 3.56Å; I69-V79 WeakPolarHBondContact CA-O 3.41Å; I69-H80 HydrophobicContact CB-CB 4.16Å; I69-H80 HydrophobicContact CG1-CB 4.2Å
70R98.4Very high95.5Very high30 Ų3037.9 Ų37.911%0.11319%0.188CC..EExtended strand (participates in β ladder)trans-137.1144.5177.5-62.3-67.2176.5-97.9-2111.3S26 D28 L68 V78 V79 L113 V115 R295S26-R70 PolarHBondContact OG-NH1 3.08Å; D28-R70 WeakPolarHBondContact OD2-CA 3.24Å; D28-R70 WeakPolarHBondContact OD2-CD 3.27Å; L68-R70 PolarHBondContact O-N 3.19Å; R70-V78 CarbonylContact O-C 3.6Å; R70-V78 WeakPolarHBondContact O-CA 3.35Å; R70-V78 VanDerWaalsContact O-CB 3.28Å; R70-V78 WeakPolarHBondContact O-CB 3.23Å; R70-V79 HydrophobicContact CB-CG2 4.04Å; R70-V79 PolarHBondContact N-O 2.87Å; R70-V79 PolarHBondContact O-N 2.87Å; R70-L113 HydrophobicContact CG-CD2 4.41Å; R70-V115 HydrophobicContact CB-CG2 3.92Å; R70-R295 VanDerWaalsContact CZ-NH2 3.32Å
71F97.6Very high95.6Very high10 Ų1034.4 Ų34.44%0.04417%0.17CC..EExtended strand (participates in β ladder)trans-67150163.8-78.3-78.2000110.5D28 F29 N30 L35 I37 L47 V78 L94D28-F71 HydrophobicContact CB-CD2 4.23Å; D28-F71 WeakPolarHBondContact O-CE2 3.44Å; D28-F71 PolarHBondContact OD2-N 3.06Å; F29-F71 WeakPolarHBondContact O-CD2 3.29Å; N30-F71 HydrophobicContact CB-CB 4.45Å; N30-F71 HydrophobicContact CB-CD1 3.97Å; N30-F71 HydrophobicContact CB-CD2 3.92Å; N30-F71 HydrophobicContact CB-CE1 4.11Å; N30-F71 HydrophobicContact CB-CE2 4.02Å; N30-F71 HydrophobicContact CB-CG 3.86Å; N30-F71 HydrophobicContact CB-CZ 4.11Å; N30-F71 VanDerWaalsContact N-CE2 3.32Å; L35-F71 HydrophobicContact CB-CZ 3.94Å; I37-F71 HydrophobicContact CB-CD2 4.39Å; I37-F71 HydrophobicContact CB-CE2 3.65Å; I37-F71 HydrophobicContact CB-CZ 3.72Å; I37-F71 HydrophobicContact CG2-CD2 3.74Å; I37-F71 HydrophobicContact CG2-CE2 3.48Å; I37-F71 VanDerWaalsContact CG2-CE2 3.48Å; I37-F71 HydrophobicContact CG2-CG 4.5Å; I37-F71 HydrophobicContact CG2-CZ 4Å; L47-F71 HydrophobicContact CD1-CE1 4.09Å; L47-F71 HydrophobicContact CD1-CZ 3.68Å; F71-V78 HydrophobicContact CD1-CG1 3.82Å; F71-V78 HydrophobicContact CE1-CG1 4.08Å; F71-V78 HydrophobicContact CG-CG1 4.33Å; F71-L94 HydrophobicContact CE1-CD1 4.17Å
72T96.8Very high95.7Very high4 Ų434.4 Ų34.43%0.02517%0.17CC..  trans-98.6172.5166.970.90000110.4A74 A77 V79 L136T72-A74 PolarHBondContact O-N 3.3Å; T72-A74 PolarHBondContact OG1-N 3.46Å; T72-A74 PolarHBondContact OG1-O 3.12Å; T72-A77 PolarHBondContact N-O 3.21Å; T72-A77 WeakPolarHBondContact OG1-CB 3.21Å; T72-A77 PolarHBondContact OG1-O 2.89Å; T72-A77 VanDerWaalsContact OG1-O 3.12Å; T72-V79 HydrophobicContact CG2-CG1 3.8Å; T72-V79 HydrophobicContact CG2-CG2 4.37Å; T72-L136 HydrophobicContact CG2-CD1 3.69Å; T72-L136 HydrophobicContact CG2-CD2 4.3Å
73N89.9Confident95.6Very high68 Ų6829.4 Ų29.436%0.36415%0.15SC..SBendtrans-72.7-9.9171.1-65.7-36000113.2S116 D119N73-S116 PolarHBondContact ND2-O 3.24Å; N73-D119 PolarHBondContact ND2-N 2.94Å; N73-D119 PolarHBondContact ND2-O 3.29Å
74A85.1Confident95.6Very high52 Ų5228.5 Ų28.543%0.4315%0.146SC..SBendtrans-80.1141.6169.900000110.4T72 D76 A77T72-A74 PolarHBondContact O-N 3.3Å; T72-A74 PolarHBondContact OG1-N 3.46Å; T72-A74 PolarHBondContact OG1-O 3.12Å; A74-D76 PolarHBondContact O-N 3.47Å; A74-A77 HydrophobicContact CB-CB 4.11Å; A74-A77 PolarHBondContact O-N 3.41Å
75Q83.5Confident95.5Very high174 Ų17432 Ų3281%0.81317%0.169SC*.THydrogen-bonded Turntrans-59.8134.7177.9-174.8175.3-2.600111.1A77Q75-A77 PolarHBondContact O-N 2.94Å; Q75-A77 VanDerWaalsContact O-N 3.13Å
76D88Confident95.5Very high35 Ų3534.4 Ų34.419%0.18718%0.182CC..THydrogen-bonded Turntrans52.433.2176.4-64.5-42.3000114.4A74 L94 H95A74-D76 PolarHBondContact O-N 3.47Å; D76-L94 WeakPolarHBondContact O-CA 3.42Å; D76-L94 VanDerWaalsContact O-CB 3.24Å; D76-L94 WeakPolarHBondContact O-CB 3.34Å; D76-L94 PolarHBondContact O-N 3.37Å; D76-H95 HydrophobicContact CB-CB 4.26Å
77A95.6Very high95.4Very high4 Ų436.8 Ų36.83%0.03320%0.195CC..EExtended strand (participates in β ladder)trans-126.8142.2176.800000112T72 A74 Q75 L92 I100T72-A77 PolarHBondContact N-O 3.21Å; T72-A77 WeakPolarHBondContact OG1-CB 3.21Å; T72-A77 PolarHBondContact OG1-O 2.89Å; T72-A77 VanDerWaalsContact OG1-O 3.12Å; A74-A77 HydrophobicContact CB-CB 4.11Å; A74-A77 PolarHBondContact O-N 3.41Å; Q75-A77 PolarHBondContact O-N 2.94Å; Q75-A77 VanDerWaalsContact O-N 3.13Å; A77-L92 WeakPolarHBondContact CA-O 3.34Å; A77-I100 HydrophobicContact CB-CD1 4.06Å
78V98.2Very high95.4Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-130.6154.7-177.7-63.30000111.4I37 I69 R70 F71 H91 L92 L94I37-V78 HydrophobicContact CG1-CG1 4.32Å; I37-V78 HydrophobicContact CG2-CG1 4.41Å; I69-V78 HydrophobicContact CD1-CB 4.43Å; I69-V78 HydrophobicContact CD1-CG2 4.17Å; I69-V78 HydrophobicContact CG1-CB 4.2Å; I69-V78 HydrophobicContact CG1-CG2 4.41Å; R70-V78 CarbonylContact O-C 3.6Å; R70-V78 WeakPolarHBondContact O-CA 3.35Å; R70-V78 VanDerWaalsContact O-CB 3.28Å; R70-V78 WeakPolarHBondContact O-CB 3.23Å; F71-V78 HydrophobicContact CD1-CG1 3.82Å; F71-V78 HydrophobicContact CE1-CG1 4.08Å; F71-V78 HydrophobicContact CG-CG1 4.33Å; V78-H91 WeakPolarHBondContact O-CA 3.31Å; V78-H91 PolarHBondContact O-CD2 2.89Å; V78-L92 HydrophobicContact CG2-CB 3.97Å; V78-L92 HydrophobicContact CG2-CD2 4.31Å; V78-L92 HydrophobicContact CG2-CG 4.46Å; V78-L92 PolarHBondContact N-O 2.91Å; V78-L92 PolarHBondContact O-N 3.33Å; V78-L94 HydrophobicContact CG1-CD1 3.7Å; V78-L94 HydrophobicContact CG1-CD2 4.34Å; V78-L94 HydrophobicContact CG1-CG 4.07Å; V78-L94 HydrophobicContact CG2-CD2 3.74Å; V78-L94 HydrophobicContact CG2-CG 4.1Å
79V98.5Very high95.5Very high0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-113.4147.7164.4-69.10000111I69 R70 T72 I89 R90 H91 F103 L113 V115 M122 L136I69-V79 CarbonylContact C-O 3.56Å; I69-V79 WeakPolarHBondContact CA-O 3.41Å; R70-V79 HydrophobicContact CB-CG2 4.04Å; R70-V79 PolarHBondContact N-O 2.87Å; R70-V79 PolarHBondContact O-N 2.87Å; T72-V79 HydrophobicContact CG2-CG1 3.8Å; T72-V79 HydrophobicContact CG2-CG2 4.37Å; V79-I89 HydrophobicContact CB-CG2 4.21Å; V79-R90 CarbonylContact C-O 3.57Å; V79-R90 WeakPolarHBondContact CA-O 3.34Å; V79-H91 HydrophobicContact CG1-CB 4.18Å; V79-F103 HydrophobicContact CG1-CE2 4.3Å; V79-L113 HydrophobicContact CB-CD2 4.32Å; V79-L113 HydrophobicContact CG2-CD2 3.78Å; V79-V115 HydrophobicContact CG2-CG2 3.61Å; V79-M122 HydrophobicContact CB-SD 4.22Å; V79-M122 HydrophobicContact CG1-SD 3.96Å; V79-M122 HydrophobicContact CG2-SD 4.07Å; V79-L136 HydrophobicContact CG1-CD2 3.74Å
80H98.7Very high95.5Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-149.2152.8173.870.585.8000111.5S61 G65 V66 T67 I69 I89 R90 Y99S61-H80 PolarHBondContact OG-CE1 2.96Å; S61-H80 VanDerWaalsContact OG-CE1 3.31Å; G65-H80 PolarHBondContact O-CE1 3.37Å; G65-H80 VanDerWaalsContact O-CE1 3.23Å; G65-H80 PolarHBondContact O-ND1 2.89Å; V66-H80 HydrophobicContact CG1-CB 4Å; T67-H80 WeakPolarHBondContact O-CB 3.35Å; I69-H80 HydrophobicContact CB-CB 4.16Å; I69-H80 HydrophobicContact CG1-CB 4.2Å; H80-I89 CarbonylContact O-C 3.56Å; H80-I89 WeakPolarHBondContact O-CA 3.29Å; H80-I89 WeakPolarHBondContact O-CG2 3.41Å; H80-R90 PolarHBondContact N-O 2.85Å; H80-R90 WeakPolarHBondContact NE2-CB 3.42Å; H80-R90 PolarHBondContact O-N 2.95Å; H80-Y99 AromaticContact NE2-CE1 3.86Å
81G98.5Very high95.4Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-73.6153.7168.700000111.9T67T67-G81 PolarHBondContact N-O 3.35Å; T67-G81 PolarHBondContact O-N 2.98Å; T67-G81 PolarHBondContact OG1-O 2.81Å
82S98.2Very high95.4Very high1 Ų133.4 Ų33.41%0.00718%0.179CC..  trans-96.5145.6171.1-51.60000109.8Y64 D86 G88Y64-S82 WeakPolarHBondContact O-CA 3.12Å; Y64-S82 WeakPolarHBondContact O-CB 3.31Å; S82-D86 WeakPolarHBondContact CB-O 3.43Å; S82-G88 VanDerWaalsContact CB-O 3.22Å; S82-G88 WeakPolarHBondContact CB-O 3.24Å; S82-G88 PolarHBondContact N-O 3.07Å; S82-G88 PolarHBondContact OG-O 3.13Å
83N95.8Very high95.4Very high42 Ų4233.8 Ų33.823%0.22518%0.182CC..SBendtrans-132.89.6177.564.4-10.9000113.1Y64 G65 V66 T67Y64-N83 PolarHBondContact O-N 2.95Å; Y64-N83 PolarHBondContact O-OD1 2.88Å; G65-N83 WeakPolarHBondContact CA-OD1 3.45Å; V66-N83 PolarHBondContact N-OD1 2.81Å; T67-N83 HydrophobicContact CG2-CB 3.73Å; T67-N83 WeakPolarHBondContact CG2-ND2 3.29Å
84K97.3Very high95.5Very high108 Ų10830.8 Ų30.847%0.4717%0.166SC..SBendtrans-114.5-93.2178.2-67-173.7168.5-178.30113D43 Y64 D86D43-K84 WeakPolarHBondContact OD1-CE 3.3Å; D43-K84 IonicContact OD1-NZ 2.66Å; D43-K84 PolarHBondContact OD1-NZ 2.59Å; D43-K84 IonicContact OD2-NZ 3.97Å; D43-K84 PolarHBondContact OD2-NZ 3.38Å; Y64-K84 PolarHBondContact O-N 2.83Å; Y64-K84 VanDerWaalsContact O-N 3.16Å; K84-D86 VanDerWaalsContact C-N 3.3Å; K84-D86 PolarHBondContact O-N 3.11Å
85V95.7Very high95.8Very high95 Ų9533.9 Ų33.958%0.57617%0.172SC*.SBendtrans-67.2-30.6-168.3166.40000113K63 Y64K63-V85 HydrophobicContact CG-CG2 4.16Å; K63-V85 WeakPolarHBondContact O-CG2 3.36Å; Y64-V85 HydrophobicContact CD1-CB 4.49Å
86D96.9Very high96.2Very high51 Ų5130.2 Ų30.227%0.27316%0.157SC..  trans-159179.4-179.660.364.4000110.8S82 K84 G88 R90S82-D86 WeakPolarHBondContact CB-O 3.43Å; K84-D86 VanDerWaalsContact C-N 3.3Å; K84-D86 PolarHBondContact O-N 3.11Å; D86-G88 WeakPolarHBondContact OD1-CA 3.41Å; D86-G88 PolarHBondContact OD1-N 3.16Å; D86-R90 IonicContact OD1-CZ 3.64Å; D86-R90 IonicContact OD1-NH1 3.85Å; D86-R90 IonicContact OD1-NH2 2.73Å; D86-R90 PolarHBondContact OD1-NH2 3.31Å; D86-R90 IonicContact OD2-CZ 3.96Å; D86-R90 IonicContact OD2-NH2 2.84Å; D86-R90 PolarHBondContact OD2-NH2 2.74Å
87D97.5Very high96.5Very high49 Ų4933 Ų3326%0.26217%0.172SC..SBendtrans-98.516.3-178.7-59.5-63000113.6K108 R109 V110D87-K108 VanDerWaalsContact CB-C 3.44Å; D87-K108 WeakPolarHBondContact CB-O 3.26Å; D87-K108 VanDerWaalsContact CG-CA 3.47Å; D87-K108 VanDerWaalsContact OD1-C 3.27Å; D87-K108 VanDerWaalsContact OD2-CA 3.25Å; D87-K108 WeakPolarHBondContact OD2-CA 3.46Å; D87-K108 PolarHBondContact OD2-N 3.42Å; D87-R109 VanDerWaalsContact CG-N 3.31Å; D87-R109 WeakPolarHBondContact OD1-CA 3.46Å; D87-R109 PolarHBondContact OD1-N 2.77Å; D87-V110 WeakPolarHBondContact O-CG2 3.45Å
88G97.9Very high96.5Very high3 Ų339.8 Ų39.83%0.03120%0.201CC..  trans-80.7169.4-176.300000113.7S82 D86 F103S82-G88 VanDerWaalsContact CB-O 3.22Å; S82-G88 WeakPolarHBondContact CB-O 3.24Å; S82-G88 PolarHBondContact N-O 3.07Å; S82-G88 PolarHBondContact OG-O 3.13Å; D86-G88 WeakPolarHBondContact OD1-CA 3.41Å; D86-G88 PolarHBondContact OD1-N 3.16Å; G88-F103 WeakPolarHBondContact CA-O 3.43Å
89I98.7Very high96.4Very high0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-103.4148.2174-58.4153.9000108.6V79 H80 F103 V110 L113 M122 S124V79-I89 HydrophobicContact CB-CG2 4.21Å; H80-I89 CarbonylContact O-C 3.56Å; H80-I89 WeakPolarHBondContact O-CA 3.29Å; H80-I89 WeakPolarHBondContact O-CG2 3.41Å; I89-F103 HydrophobicContact CB-CB 4.13Å; I89-F103 HydrophobicContact CB-CD2 4.11Å; I89-F103 HydrophobicContact CG2-CD2 3.97Å; I89-F103 PolarHBondContact N-O 2.62Å; I89-F103 PolarHBondContact O-N 3.34Å; I89-V110 HydrophobicContact CD1-CG1 4.46Å; I89-V110 HydrophobicContact CD1-CG2 4.23Å; I89-V110 HydrophobicContact CG1-CG1 4.49Å; I89-V110 HydrophobicContact CG1-CG2 4.02Å; I89-L113 HydrophobicContact CD1-CD1 3.79Å; I89-L113 HydrophobicContact CG1-CD1 4.35Å; I89-L113 HydrophobicContact CG2-CD1 4.36Å; I89-L113 HydrophobicContact CG2-CD2 4.46Å; I89-M122 HydrophobicContact CD1-CE 4.46Å; I89-M122 HydrophobicContact CG2-CE 3.96Å; I89-M122 HydrophobicContact CG2-SD 4.38Å; I89-S124 WeakPolarHBondContact CD1-OG 3.48Å
90R98.2Very high96.3Very high2 Ų246.3 Ų46.31%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-118137.6-179.4-57.9-59.7173.9-102.81.5110.1Y64 V79 H80 D86 Y99Y64-R90 HydrophobicContact CD2-CG 4.48Å; Y64-R90 HydrophobicContact CG-CG 4.49Å; V79-R90 CarbonylContact C-O 3.57Å; V79-R90 WeakPolarHBondContact CA-O 3.34Å; H80-R90 PolarHBondContact N-O 2.85Å; H80-R90 WeakPolarHBondContact NE2-CB 3.42Å; H80-R90 PolarHBondContact O-N 2.95Å; D86-R90 IonicContact OD1-CZ 3.64Å; D86-R90 IonicContact OD1-NH1 3.85Å; D86-R90 IonicContact OD1-NH2 2.73Å; D86-R90 PolarHBondContact OD1-NH2 3.31Å; D86-R90 IonicContact OD2-CZ 3.96Å; D86-R90 IonicContact OD2-NH2 2.84Å; D86-R90 PolarHBondContact OD2-NH2 2.74Å; R90-Y99 HydrophobicContact CB-CD1 3.9Å; R90-Y99 HydrophobicContact CB-CE1 3.72Å; R90-Y99 HydrophobicContact CG-CD1 4.41Å; R90-Y99 HydrophobicContact CG-CE1 4.01Å
91H97.8Very high96.3Very high9 Ų950.3 Ų50.34%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-107.2118.7168.6-169.6-171.3000108.4V78 V79 Y99 I100 R101 F103V78-H91 WeakPolarHBondContact O-CA 3.31Å; V78-H91 PolarHBondContact O-CD2 2.89Å; V79-H91 HydrophobicContact CG1-CB 4.18Å; H91-Y99 CarbonylContact O-C 3.53Å; H91-Y99 VanDerWaalsContact O-CA 3.28Å; H91-Y99 WeakPolarHBondContact O-CA 3.42Å; H91-I100 HydrophobicContact CB-CB 4.33Å; H91-I100 PolarHBondContact O-N 3.07Å; H91-R101 HydrophobicContact CB-CB 4.08Å; H91-R101 PolarHBondContact N-O 2.88Å; H91-R101 PolarHBondContact O-N 2.98Å; H91-F103 HydrophobicContact CB-CE2 3.75Å; H91-F103 HydrophobicContact CB-CZ 4.25Å
92L97.5Very high96.2Very high4 Ų454.6 Ų54.62%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-121.3125.4-171.6176.865.1000110.2I45 V59 A77 V78 L94 Y99I45-L92 HydrophobicContact CD1-CD2 3.72Å; V59-L92 HydrophobicContact CG2-CD2 3.98Å; A77-L92 WeakPolarHBondContact CA-O 3.34Å; V78-L92 HydrophobicContact CG2-CB 3.97Å; V78-L92 HydrophobicContact CG2-CD2 4.31Å; V78-L92 HydrophobicContact CG2-CG 4.46Å; V78-L92 PolarHBondContact N-O 2.91Å; V78-L92 PolarHBondContact O-N 3.33Å; L92-L94 HydrophobicContact CD2-CD2 4.17Å; L92-L94 HydrophobicContact CG-CD2 4.48Å; L92-L94 PolarHBondContact O-N 3.11Å; L92-Y99 HydrophobicContact CB-CD1 4.21Å; L92-Y99 HydrophobicContact CB-CE1 4.3Å; L92-Y99 HydrophobicContact CD1-CD1 4.09Å; L92-Y99 HydrophobicContact CD1-CE1 4.13Å; L92-Y99 HydrophobicContact CD1-CG 4.49Å
93S95.8Very high96.2Very high12 Ų1254.6 Ų54.68%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-73.6115162.6172.90000107.7H95 D96 N97 K98S93-H95 VanDerWaalsContact C-N 3.29Å; S93-D96 WeakPolarHBondContact OG-CB 3.48Å; S93-D96 PolarHBondContact OG-N 3.21Å; S93-D96 PolarHBondContact OG-OD2 2.92Å; S93-N97 VanDerWaalsContact O-CA 3.27Å; S93-N97 WeakPolarHBondContact O-CA 3.35Å; S93-N97 PolarHBondContact O-N 3.08Å; S93-K98 PolarHBondContact N-O 3.38Å; S93-K98 PolarHBondContact O-N 3.02Å
94L93Very high96.3Very high6 Ų657.3 Ų57.33%0.03128%0.277CS..THydrogen-bonded Turntrans-70.1-30.8173.7-62.5179.6000110.9I37 I45 L47 R57 V59 F71 D76 V78 L92I37-L94 HydrophobicContact CD1-CD1 4.08Å; I37-L94 HydrophobicContact CD1-CD2 4.41Å; I45-L94 HydrophobicContact CG2-CD2 4.12Å; L47-L94 HydrophobicContact CD1-CD1 3.94Å; L47-L94 HydrophobicContact CD2-CD1 4.2Å; R57-L94 WeakPolarHBondContact CD-O 3.3Å; R57-L94 PolarHBondContact NH1-O 3.21Å; V59-L94 HydrophobicContact CG2-CD2 4.4Å; F71-L94 HydrophobicContact CE1-CD1 4.17Å; D76-L94 WeakPolarHBondContact O-CA 3.42Å; D76-L94 VanDerWaalsContact O-CB 3.24Å; D76-L94 WeakPolarHBondContact O-CB 3.34Å; D76-L94 PolarHBondContact O-N 3.37Å; V78-L94 HydrophobicContact CG1-CD1 3.7Å; V78-L94 HydrophobicContact CG1-CD2 4.34Å; V78-L94 HydrophobicContact CG1-CG 4.07Å; V78-L94 HydrophobicContact CG2-CD2 3.74Å; V78-L94 HydrophobicContact CG2-CG 4.1Å; L92-L94 HydrophobicContact CD2-CD2 4.17Å; L92-L94 HydrophobicContact CG-CD2 4.48Å; L92-L94 PolarHBondContact O-N 3.11Å
95H90.4Very high96.2Very high117 Ų11753.5 Ų53.554%0.54227%0.269SS..THydrogen-bonded Turntrans-68.1-50.5179-177.468.1000112R57 D76 S93R57-H95 PolarHBondContact NH1-O 3.32Å; D76-H95 HydrophobicContact CB-CB 4.26Å; S93-H95 VanDerWaalsContact C-N 3.29Å
96D92.7Very high96.4Very high96 Ų9649.7 Ų49.751%0.51324%0.244SC..THydrogen-bonded Turntrans-87.8-12.5-176.2-54.7-60000113.3S93 K98S93-D96 WeakPolarHBondContact OG-CB 3.48Å; S93-D96 PolarHBondContact OG-N 3.21Å; S93-D96 PolarHBondContact OG-OD2 2.92Å; D96-K98 VanDerWaalsContact C-N 3.26Å; D96-K98 HydrophobicContact CB-CB 4.21Å; D96-K98 HydrophobicContact CB-CD 4.29Å; D96-K98 HydrophobicContact CB-CG 4.28Å; D96-K98 PolarHBondContact O-N 3.48Å
97N93.3Very high96.4Very high94 Ų9452.4 Ų52.450%0.50326%0.263SS..THydrogen-bonded Turntrans52.145.6-169.2-169.730.8000112.1V59 S93V59-N97 HydrophobicContact CG1-CB 4.41Å; V59-N97 WeakPolarHBondContact CG1-OD1 3.36Å; S93-N97 VanDerWaalsContact O-CA 3.27Å; S93-N97 WeakPolarHBondContact O-CA 3.35Å; S93-N97 PolarHBondContact O-N 3.08Å
98K95.6Very high96.4Very high146 Ų14655.7 Ų55.764%0.63528%0.275SS*.EExtended strand (participates in β ladder)trans-131.7138.8-178.8-72.9177.6-175.4173.70110.7S93 D96 I100S93-K98 PolarHBondContact N-O 3.38Å; S93-K98 PolarHBondContact O-N 3.02Å; D96-K98 VanDerWaalsContact C-N 3.26Å; D96-K98 HydrophobicContact CB-CB 4.21Å; D96-K98 HydrophobicContact CB-CD 4.29Å; D96-K98 HydrophobicContact CB-CG 4.28Å; D96-K98 PolarHBondContact O-N 3.48Å; K98-I100 PolarHBondContact O-N 2.77Å
99Y96.7Very high96.4Very high61 Ų6161.7 Ų61.724%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-68.6120.7170.4-65.8-71.4000109.5S61 Y64 H80 R90 H91 L92 Y102S61-Y99 PolarHBondContact OG-OH 3.47Å; Y64-Y99 HydrophobicContact CD2-CE2 4.08Å; Y64-Y99 AromaticContact CD2-CZ 3.81Å; Y64-Y99 HydrophobicContact CE2-CD2 4.42Å; Y64-Y99 AromaticContact CE2-CE2 3.81Å; Y64-Y99 HydrophobicContact CE2-CE2 3.81Å; H80-Y99 AromaticContact NE2-CE1 3.86Å; R90-Y99 HydrophobicContact CB-CD1 3.9Å; R90-Y99 HydrophobicContact CB-CE1 3.72Å; R90-Y99 HydrophobicContact CG-CD1 4.41Å; R90-Y99 HydrophobicContact CG-CE1 4.01Å; H91-Y99 CarbonylContact O-C 3.53Å; H91-Y99 VanDerWaalsContact O-CA 3.28Å; H91-Y99 WeakPolarHBondContact O-CA 3.42Å; L92-Y99 HydrophobicContact CB-CD1 4.21Å; L92-Y99 HydrophobicContact CB-CE1 4.3Å; L92-Y99 HydrophobicContact CD1-CD1 4.09Å; L92-Y99 HydrophobicContact CD1-CE1 4.13Å; L92-Y99 HydrophobicContact CD1-CG 4.49Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.31Å; Y99-Y102 HydrophobicContact CD2-CE1 4.33Å; Y99-Y102 WeakPolarHBondContact CD2-OH 3.49Å; Y99-Y102 HydrophobicContact CG-CE1 4.14Å
100I96.7Very high96.4Very high76 Ų7661.9 Ų61.939%0.3930%0.298SS..EExtended strand (participates in β ladder)trans-75.9-44.6176.5-57.2164.4000108.7A77 H91 K98A77-I100 HydrophobicContact CB-CD1 4.06Å; H91-I100 HydrophobicContact CB-CB 4.33Å; H91-I100 PolarHBondContact O-N 3.07Å; K98-I100 PolarHBondContact O-N 2.77Å
101R97Very high96.4Very high85 Ų8563.5 Ų63.532%0.32131%0.306SS..EExtended strand (participates in β ladder)trans-150.6159.8-178.8-67.3-175.8-150.5-75.9-3.9112.7H91 F103 L136 R137H91-R101 HydrophobicContact CB-CB 4.08Å; H91-R101 PolarHBondContact N-O 2.88Å; H91-R101 PolarHBondContact O-N 2.98Å; R101-F103 HydrophobicContact CB-CE1 4.45Å; R101-F103 HydrophobicContact CB-CE2 4.49Å; R101-F103 HydrophobicContact CB-CZ 4.16Å; R101-L136 VanDerWaalsContact CD-O 3.24Å; R101-L136 WeakPolarHBondContact CD-O 3.24Å; R101-L136 PolarHBondContact NE-O 3.35Å; R101-R137 VanDerWaalsContact CZ-C 3.43Å; R101-R137 PolarHBondContact NE-O 3.27Å; R101-R137 PolarHBondContact NH1-O 2.76Å; R101-R137 PolarHBondContact NH2-O 3.14Å
102Y98.1Very high96.5Very high90 Ų9063.4 Ų63.435%0.35331%0.307SS..EExtended strand (participates in β ladder)trans-119.6124.4171.8-57.5-92.2000108.2Y64 Y99Y64-Y102 HydrophobicContact CE2-CE1 4.11Å; Y64-Y102 AromaticContact CZ-CE1 3.91Å; Y99-Y102 WeakPolarHBondContact CB-OH 3.31Å; Y99-Y102 HydrophobicContact CD2-CE1 4.33Å; Y99-Y102 WeakPolarHBondContact CD2-OH 3.49Å; Y99-Y102 HydrophobicContact CG-CE1 4.14Å
103F98.4Very high96.5Very high1 Ų163.5 Ų63.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-104.998.7175.6-50.6-82000108.6V79 G88 I89 H91 R101 M122 W134 L136 S138V79-F103 HydrophobicContact CG1-CE2 4.3Å; G88-F103 WeakPolarHBondContact CA-O 3.43Å; I89-F103 HydrophobicContact CB-CB 4.13Å; I89-F103 HydrophobicContact CB-CD2 4.11Å; I89-F103 HydrophobicContact CG2-CD2 3.97Å; I89-F103 PolarHBondContact N-O 2.62Å; I89-F103 PolarHBondContact O-N 3.34Å; H91-F103 HydrophobicContact CB-CE2 3.75Å; H91-F103 HydrophobicContact CB-CZ 4.25Å; R101-F103 HydrophobicContact CB-CE1 4.45Å; R101-F103 HydrophobicContact CB-CE2 4.49Å; R101-F103 HydrophobicContact CB-CZ 4.16Å; F103-M122 HydrophobicContact CB-CE 4.36Å; F103-M122 HydrophobicContact CD1-CE 3.98Å; F103-M122 HydrophobicContact CD2-CE 3.27Å; F103-M122 HydrophobicContact CE1-CE 3.99Å; F103-M122 HydrophobicContact CE2-CE 3.24Å; F103-M122 HydrophobicContact CE2-SD 4.44Å; F103-M122 HydrophobicContact CG-CE 3.62Å; F103-M122 HydrophobicContact CZ-CE 3.66Å; F103-W134 HydrophobicContact CB-CD2 4.06Å; F103-W134 HydrophobicContact CB-CE3 3.81Å; F103-W134 HydrophobicContact CB-CH2 4.1Å; F103-W134 HydrophobicContact CB-CZ2 4.33Å; F103-W134 HydrophobicContact CB-CZ3 3.84Å; F103-W134 HydrophobicContact CD1-CB 4.31Å; F103-W134 HydrophobicContact CD1-CD2 4.19Å; F103-W134 AromaticContact CD1-CE3 3.75Å; F103-W134 HydrophobicContact CD1-CE3 3.75Å; F103-W134 HydrophobicContact CD1-CG 4.46Å; F103-W134 HydrophobicContact CD1-CZ3 4.41Å; F103-W134 HydrophobicContact CE1-CB 4.41Å; F103-W134 HydrophobicContact CG-CD2 4.37Å; F103-W134 HydrophobicContact CG-CE3 4.17Å; F103-L136 HydrophobicContact CE2-CD2 4.17Å; F103-L136 HydrophobicContact CZ-CD2 3.8Å; F103-S138 VanDerWaalsContact CE1-O 3.23Å; F103-S138 WeakPolarHBondContact CE1-O 3.48Å
104N97.3Very high96.6Very high98 Ų9863.7 Ų63.752%0.52431%0.309SS..  trans-101.8143.7-179.7-61.8-36000109.5W134N104-W134 WeakPolarHBondContact O-CH2 3.2Å
105G95.8Very high96.9Very high28 Ų2864.5 Ų64.529%0.28931%0.314SS..  trans157.4-33.3174.300000113.7R132G105-R132 VanDerWaalsContact C-NH2 3.35Å; G105-R132 VanDerWaalsContact O-CZ 3.3Å; G105-R132 PolarHBondContact O-NH2 3.27Å
106H98.3Very high97.2Very high15 Ų1559 Ų597%0.06929%0.289CS..  trans-62.8140.6170.4-79.4-56.7000110.8V110 S124 S126 D128 T130H106-V110 HydrophobicContact CB-CG2 4.3Å; H106-V110 VanDerWaalsContact CD2-CG2 3.48Å; H106-V110 WeakPolarHBondContact CD2-CG2 3.34Å; H106-S124 PolarHBondContact CD2-OG 3.27Å; H106-S124 PolarHBondContact NE2-OG 2.83Å; H106-S126 WeakPolarHBondContact CE1-CB 3.45Å; H106-S126 WeakPolarHBondContact ND1-CB 3.32Å; H106-D128 WeakPolarHBondContact CA-OD2 3.34Å; H106-D128 IonicContact CE1-OD1 3.77Å; H106-D128 IonicContact CE1-OD2 2.7Å; H106-D128 IonicContact CG-OD2 2.96Å; H106-D128 IonicContact ND1-OD1 3.56Å; H106-D128 PolarHBondContact ND1-OD1 3.47Å; H106-D128 IonicContact ND1-OD2 2.68Å; H106-D128 PolarHBondContact ND1-OD2 2.75Å; H106-T130 PolarHBondContact CE1-OG1 3.44Å; H106-T130 PolarHBondContact ND1-OG1 2.83Å
107T97.9Very high97.4Very high108 Ų10857.4 Ų57.466%0.66328%0.284SS*.SBendtrans-108.10.9-178.4600000113.2D128T107-D128 PolarHBondContact N-OD2 2.82Å; T107-D128 WeakPolarHBondContact OG1-CB 3.5Å
108K98.3Very high97.4Very high119 Ų11957.3 Ų57.352%0.51729%0.286SS..SBendtrans-147.7166.5170.1-59.7-174177-1800109.2D87 V110 S126 L127 D128D87-K108 VanDerWaalsContact CB-C 3.44Å; D87-K108 WeakPolarHBondContact CB-O 3.26Å; D87-K108 VanDerWaalsContact CG-CA 3.47Å; D87-K108 VanDerWaalsContact OD1-C 3.27Å; D87-K108 VanDerWaalsContact OD2-CA 3.25Å; D87-K108 WeakPolarHBondContact OD2-CA 3.46Å; D87-K108 PolarHBondContact OD2-N 3.42Å; K108-V110 PolarHBondContact O-N 2.96Å; K108-S126 PolarHBondContact O-OG 3.12Å; K108-L127 HydrophobicContact CB-CB 3.78Å; K108-L127 HydrophobicContact CD-CB 4.11Å; K108-D128 HydrophobicContact CB-CB 4.06Å; K108-D128 HydrophobicContact CG-CB 4.15Å
109R97.9Very high97.3Very high129 Ų12953.8 Ų53.849%0.48727%0.274SS..  trans-46.3131.6-175.2-174.6174.8-63.9179.8-0.9113.5D87 I111 S126 L127D87-R109 VanDerWaalsContact CG-N 3.31Å; D87-R109 WeakPolarHBondContact OD1-CA 3.46Å; D87-R109 PolarHBondContact OD1-N 2.77Å; R109-I111 HydrophobicContact CG-CG2 4.45Å; R109-S126 WeakPolarHBondContact O-CA 3.4Å; R109-S126 PolarHBondContact O-OG 3.04Å; R109-L127 HydrophobicContact CB-CD1 4.03Å; R109-L127 PolarHBondContact O-N 3.16Å
110V98.7Very high97.2Very high3 Ų352 Ų522%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-71.1126.7166.7-179.50000108.9L68 D87 I89 H106 K108 A112 G125L68-V110 HydrophobicContact CD1-CB 4.49Å; L68-V110 HydrophobicContact CD1-CG1 3.88Å; L68-V110 WeakPolarHBondContact CD1-O 3.39Å; D87-V110 WeakPolarHBondContact O-CG2 3.45Å; I89-V110 HydrophobicContact CD1-CG1 4.46Å; I89-V110 HydrophobicContact CD1-CG2 4.23Å; I89-V110 HydrophobicContact CG1-CG1 4.49Å; I89-V110 HydrophobicContact CG1-CG2 4.02Å; H106-V110 HydrophobicContact CB-CG2 4.3Å; H106-V110 VanDerWaalsContact CD2-CG2 3.48Å; H106-V110 WeakPolarHBondContact CD2-CG2 3.34Å; K108-V110 PolarHBondContact O-N 2.96Å; V110-A112 WeakPolarHBondContact CG1-O 3.31Å; V110-G125 WeakPolarHBondContact CA-O 3.28Å
111I98.2Very high97.3Very high36 Ų3649.3 Ų49.319%0.18526%0.262CS..EExtended strand (participates in β ladder)trans-117.3-14.7-175.560.4177.9000112.8L68 R109 G125 L127 P150 M152L68-I111 VanDerWaalsContact CD1-C 3.49Å; R109-I111 HydrophobicContact CG-CG2 4.45Å; I111-G125 WeakPolarHBondContact CG1-O 3.14Å; I111-G125 PolarHBondContact N-O 3.45Å; I111-L127 HydrophobicContact CD1-CD2 4.02Å; I111-L127 HydrophobicContact CD1-CG 4.47Å; I111-L127 HydrophobicContact CG2-CD1 4.35Å; I111-L127 HydrophobicContact CG2-CD2 4.05Å; I111-L127 HydrophobicContact CG2-CG 3.75Å; I111-P150 HydrophobicContact CD1-CB 3.52Å; I111-M152 HydrophobicContact CB-CE 4.07Å; I111-M152 HydrophobicContact CD1-CE 3.64Å; I111-M152 HydrophobicContact CG1-CE 3.89Å
112A98.5Very high97.3Very high7 Ų745.3 Ų45.36%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-141.4139.517500000110.2V110 S124 G125 M152 L153V110-A112 WeakPolarHBondContact CG1-O 3.31Å; A112-S124 CarbonylContact O-C 3.52Å; A112-S124 VanDerWaalsContact O-CA 3.31Å; A112-S124 WeakPolarHBondContact O-CA 3.18Å; A112-G125 PolarHBondContact N-O 3.24Å; A112-G125 VanDerWaalsContact N-O 3.17Å; A112-G125 PolarHBondContact O-N 2.86Å; A112-M152 HydrophobicContact CB-SD 4Å; A112-L153 HydrophobicContact CB-CD2 4.46Å; A112-L153 HydrophobicContact CB-CG 3.82Å
113L98.6Very high97.3Very high7 Ų741.1 Ų41.14%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-143.9126.8179.6-167.970.5000109L68 R70 V79 I89 M122 L123L68-L113 HydrophobicContact CB-CB 4.03Å; L68-L113 HydrophobicContact CD1-CB 4.34Å; L68-L113 WeakPolarHBondContact O-CD2 3.37Å; R70-L113 HydrophobicContact CG-CD2 4.41Å; V79-L113 HydrophobicContact CB-CD2 4.32Å; V79-L113 HydrophobicContact CG2-CD2 3.78Å; I89-L113 HydrophobicContact CD1-CD1 3.79Å; I89-L113 HydrophobicContact CG1-CD1 4.35Å; I89-L113 HydrophobicContact CG2-CD1 4.36Å; I89-L113 HydrophobicContact CG2-CD2 4.46Å; L113-M122 HydrophobicContact CD1-SD 4.18Å; L113-L123 WeakPolarHBondContact CA-O 3.28Å
114S98.4Very high97.4Very high16 Ų1641.1 Ų41.111%0.11223%0.23CC..EExtended strand (participates in β ladder)trans-134.9124.9176.1-166.50000109.2M122 L123 F155S114-M122 CarbonylContact O-C 3.56Å; S114-M122 VanDerWaalsContact O-CA 3.32Å; S114-M122 WeakPolarHBondContact O-CA 3.17Å; S114-M122 WeakPolarHBondContact O-CB 3.19Å; S114-L123 PolarHBondContact N-O 3.36Å; S114-L123 PolarHBondContact O-N 3.2Å; S114-F155 WeakPolarHBondContact O-CE2 3.47Å; S114-F155 WeakPolarHBondContact OG-CD2 3.47Å; S114-F155 PolarHBondContact OG-N 3.03Å
115V98Very high97.4Very high22 Ų2236.4 Ų36.413%0.13321%0.205CC..EExtended strand (participates in β ladder)trans-88.4141.8169.9-178.60000108.1R70 V79 M122R70-V115 HydrophobicContact CB-CG2 3.92Å; V79-V115 HydrophobicContact CG2-CG2 3.61Å; V115-M122 HydrophobicContact CG2-CB 4.18Å
116S97.6Very high97.6Very high2 Ų235.1 Ų35.11%0.01419%0.192CC..  trans-63.7136175170.50000110.1N73 V118 D119 T121N73-S116 PolarHBondContact ND2-O 3.24Å; S116-V118 PolarHBondContact O-N 3.17Å; S116-V118 WeakPolarHBondContact OG-CG2 3.28Å; S116-V118 PolarHBondContact OG-N 3.2Å; S116-D119 WeakPolarHBondContact CB-OD1 3.15Å; S116-D119 PolarHBondContact OG-N 2.79Å; S116-D119 PolarHBondContact OG-OD1 3.5Å; S116-T121 WeakPolarHBondContact CB-O 3.48Å; S116-T121 PolarHBondContact N-O 3.17Å
117P95.3Very high97.6Very high63 Ų6338 Ų3841%0.40921%0.207SC..SBendtrans-73.4-14.6177.728.9-32.7000113.2P157P117-P157 WeakPolarHBondContact CG-O 3.35Å
118V94.1Very high97.6Very high91 Ų9134 Ų3455%0.55218%0.182SC*.SBendtrans-110.6-25-169.7-66.20000114.6S116 E158S116-V118 PolarHBondContact O-N 3.17Å; S116-V118 WeakPolarHBondContact OG-CG2 3.28Å; S116-V118 PolarHBondContact OG-N 3.2Å; V118-E158 VanDerWaalsContact CG1-O 3.24Å; V118-E158 WeakPolarHBondContact CG1-O 3.13Å
119D93.8Very high97.6Very high73 Ų7335 Ų3539%0.3918%0.182SC..SBendtrans-151.6-178.1-171.472.8-6.2000113.6N73 S116 T121N73-D119 PolarHBondContact ND2-N 2.94Å; N73-D119 PolarHBondContact ND2-O 3.29Å; S116-D119 WeakPolarHBondContact CB-OD1 3.15Å; S116-D119 PolarHBondContact OG-N 2.79Å; S116-D119 PolarHBondContact OG-OD1 3.5Å; D119-T121 VanDerWaalsContact CG-OG1 3.28Å; D119-T121 PolarHBondContact O-N 3.17Å; D119-T121 WeakPolarHBondContact OD1-CB 3.49Å; D119-T121 PolarHBondContact OD1-N 3.09Å; D119-T121 PolarHBondContact OD1-OG1 2.56Å; D119-T121 PolarHBondContact OD2-OG1 3.07Å
120G95.2Very high97.6Very high24 Ų2429.7 Ų29.725%0.24716%0.164CC..SBendtrans-7323.9-179.100000115L136G120-L136 VanDerWaalsContact O-CB 3.28Å; G120-L136 WeakPolarHBondContact O-CB 3.33Å; G120-L136 WeakPolarHBondContact O-CG 3.49Å; G120-L136 PolarHBondContact O-N 2.88Å
121T97Very high97.6Very high19 Ų1929.7 Ų29.712%0.11716%0.164CC..EExtended strand (participates in β ladder)trans-96.9148.9-175.9-56.90000111.5S116 D119 L133 W134 F155 M176S116-T121 WeakPolarHBondContact CB-O 3.48Å; S116-T121 PolarHBondContact N-O 3.17Å; D119-T121 VanDerWaalsContact CG-OG1 3.28Å; D119-T121 PolarHBondContact O-N 3.17Å; D119-T121 WeakPolarHBondContact OD1-CB 3.49Å; D119-T121 PolarHBondContact OD1-N 3.09Å; D119-T121 PolarHBondContact OD1-OG1 2.56Å; D119-T121 PolarHBondContact OD2-OG1 3.07Å; T121-L133 HydrophobicContact CG2-CD1 3.33Å; T121-L133 HydrophobicContact CG2-CG 4.34Å; T121-W134 CarbonylContact C-O 3.57Å; T121-W134 WeakPolarHBondContact CA-O 3.36Å; T121-F155 HydrophobicContact CG2-CZ 4.2Å; T121-M176 HydrophobicContact CG2-CE 4.29Å
122M98.1Very high97.6Very high0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-143.6155.916868172-178.100112.8V79 I89 F103 L113 S114 V115 W134 L136V79-M122 HydrophobicContact CB-SD 4.22Å; V79-M122 HydrophobicContact CG1-SD 3.96Å; V79-M122 HydrophobicContact CG2-SD 4.07Å; I89-M122 HydrophobicContact CD1-CE 4.46Å; I89-M122 HydrophobicContact CG2-CE 3.96Å; I89-M122 HydrophobicContact CG2-SD 4.38Å; F103-M122 HydrophobicContact CB-CE 4.36Å; F103-M122 HydrophobicContact CD1-CE 3.98Å; F103-M122 HydrophobicContact CD2-CE 3.27Å; F103-M122 HydrophobicContact CE1-CE 3.99Å; F103-M122 HydrophobicContact CE2-CE 3.24Å; F103-M122 HydrophobicContact CE2-SD 4.44Å; F103-M122 HydrophobicContact CG-CE 3.62Å; F103-M122 HydrophobicContact CZ-CE 3.66Å; L113-M122 HydrophobicContact CD1-SD 4.18Å; S114-M122 CarbonylContact O-C 3.56Å; S114-M122 VanDerWaalsContact O-CA 3.32Å; S114-M122 WeakPolarHBondContact O-CA 3.17Å; S114-M122 WeakPolarHBondContact O-CB 3.19Å; V115-M122 HydrophobicContact CG2-CB 4.18Å; M122-W134 HydrophobicContact CE-CB 3.56Å; M122-W134 HydrophobicContact CE-CD2 4.38Å; M122-W134 HydrophobicContact CE-CG 3.6Å; M122-W134 HydrophobicContact CG-CB 3.68Å; M122-W134 HydrophobicContact CG-CG 4.15Å; M122-W134 PolarHBondContact N-O 2.89Å; M122-W134 PolarHBondContact O-N 3.27Å; M122-L136 HydrophobicContact CE-CD2 4.29Å; M122-L136 HydrophobicContact CG-CD2 4.34Å; M122-L136 HydrophobicContact SD-CD2 3.95Å
123L98.6Very high97.6Very high3 Ų330.6 Ų30.62%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-114.3141.8175.2-68.3169.2000110.4L113 S114 V131 R132 L133 L153 F155 F162L113-L123 WeakPolarHBondContact CA-O 3.28Å; S114-L123 PolarHBondContact N-O 3.36Å; S114-L123 PolarHBondContact O-N 3.2Å; L123-V131 HydrophobicContact CD2-CG1 4.19Å; L123-R132 WeakPolarHBondContact CA-O 2.99Å; L123-L133 HydrophobicContact CD2-CB 4.35Å; L123-L133 HydrophobicContact CD2-CD1 3.69Å; L123-L133 HydrophobicContact CG-CD1 4.45Å; L123-L153 HydrophobicContact CB-CD1 3.75Å; L123-L153 HydrophobicContact CB-CD2 3.92Å; L123-L153 HydrophobicContact CB-CG 4.49Å; L123-F155 HydrophobicContact CB-CE2 4.16Å; L123-F155 HydrophobicContact CB-CZ 4.45Å; L123-F155 HydrophobicContact CD1-CD1 4.2Å; L123-F155 HydrophobicContact CD1-CD2 4.14Å; L123-F155 HydrophobicContact CD1-CE1 3.73Å; L123-F155 HydrophobicContact CD1-CE2 3.66Å; L123-F155 HydrophobicContact CD1-CG 4.39Å; L123-F155 HydrophobicContact CD1-CZ 3.45Å; L123-F155 VanDerWaalsContact CD1-CZ 3.45Å; L123-F155 HydrophobicContact CD2-CZ 4.45Å; L123-F155 HydrophobicContact CG-CE1 4.21Å; L123-F155 HydrophobicContact CG-CE2 3.64Å; L123-F155 HydrophobicContact CG-CZ 3.46Å; L123-F155 VanDerWaalsContact CG-CZ 3.46Å; L123-F162 HydrophobicContact CD1-CB 3.62Å; L123-F162 HydrophobicContact CD1-CD1 3.78Å; L123-F162 HydrophobicContact CD1-CD2 3.78Å; L123-F162 HydrophobicContact CD1-CE1 4.34Å; L123-F162 HydrophobicContact CD1-CE2 4.35Å; L123-F162 HydrophobicContact CD1-CG 3.45Å; L123-F162 VanDerWaalsContact CD1-CG 3.45Å
124S98.8Very high97.6Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-131.5135.1170.963.40000112.5I89 H106 A112 V131 R132 W134I89-S124 WeakPolarHBondContact CD1-OG 3.48Å; H106-S124 PolarHBondContact CD2-OG 3.27Å; H106-S124 PolarHBondContact NE2-OG 2.83Å; A112-S124 CarbonylContact O-C 3.52Å; A112-S124 VanDerWaalsContact O-CA 3.31Å; A112-S124 WeakPolarHBondContact O-CA 3.18Å; S124-V131 CarbonylContact O-C 3.48Å; S124-V131 VanDerWaalsContact O-CA 3.23Å; S124-V131 WeakPolarHBondContact O-CA 3.46Å; S124-R132 PolarHBondContact N-O 3.35Å; S124-R132 PolarHBondContact O-N 3.42Å; S124-W134 PolarHBondContact OG-NE1 2.88Å
125G98.7Very high97.5Very high0 Ų030.8 Ų30.80%017%0.165CC..EExtended strand (participates in β ladder)trans-109.4138.9174.100000110.4V110 I111 A112V110-G125 WeakPolarHBondContact CA-O 3.28Å; I111-G125 WeakPolarHBondContact CG1-O 3.14Å; I111-G125 PolarHBondContact N-O 3.45Å; A112-G125 PolarHBondContact N-O 3.24Å; A112-G125 VanDerWaalsContact N-O 3.17Å; A112-G125 PolarHBondContact O-N 2.86Å
126S98.7Very high97.5Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-133.1158-175.3165.80000113.3H106 K108 R109 D128 R129 T130 P151H106-S126 WeakPolarHBondContact CE1-CB 3.45Å; H106-S126 WeakPolarHBondContact ND1-CB 3.32Å; K108-S126 PolarHBondContact O-OG 3.12Å; R109-S126 WeakPolarHBondContact O-CA 3.4Å; R109-S126 PolarHBondContact O-OG 3.04Å; S126-D128 VanDerWaalsContact CB-OD1 3.26Å; S126-D128 WeakPolarHBondContact CB-OD1 3.46Å; S126-D128 PolarHBondContact O-N 2.94Å; S126-D128 VanDerWaalsContact O-N 3.16Å; S126-D128 PolarHBondContact OG-N 3.17Å; S126-D128 PolarHBondContact OG-OD1 2.93Å; S126-D128 PolarHBondContact OG-OD2 2.69Å; S126-R129 PolarHBondContact O-N 2.66Å; S126-T130 PolarHBondContact N-O 2.97Å; S126-T130 VanDerWaalsContact N-O 3.17Å; S126-P151 WeakPolarHBondContact O-CD 3.48Å
127L98.3Very high97.4Very high76 Ų7638.8 Ų38.840%0.39819%0.193SC..THydrogen-bonded Turntrans-59.9-13.8167.1-66.6178.2000113.6K108 R109 I111 R129 P150K108-L127 HydrophobicContact CB-CB 3.78Å; K108-L127 HydrophobicContact CD-CB 4.11Å; R109-L127 HydrophobicContact CB-CD1 4.03Å; R109-L127 PolarHBondContact O-N 3.16Å; I111-L127 HydrophobicContact CD1-CD2 4.02Å; I111-L127 HydrophobicContact CD1-CG 4.47Å; I111-L127 HydrophobicContact CG2-CD1 4.35Å; I111-L127 HydrophobicContact CG2-CD2 4.05Å; I111-L127 HydrophobicContact CG2-CG 3.75Å; L127-R129 PolarHBondContact O-N 2.69Å; L127-P150 HydrophobicContact CD2-CB 4.03Å; L127-P150 HydrophobicContact CD2-CG 4Å
128D98.3Very high97.4Very high24 Ų2437.3 Ų37.313%0.12818%0.184CC..THydrogen-bonded Turntrans-73.2-1.317170.814.6000113.1H106 T107 K108 S126 T130H106-D128 WeakPolarHBondContact CA-OD2 3.34Å; H106-D128 IonicContact CE1-OD1 3.77Å; H106-D128 IonicContact CE1-OD2 2.7Å; H106-D128 IonicContact CG-OD2 2.96Å; H106-D128 IonicContact ND1-OD1 3.56Å; H106-D128 PolarHBondContact ND1-OD1 3.47Å; H106-D128 IonicContact ND1-OD2 2.68Å; H106-D128 PolarHBondContact ND1-OD2 2.75Å; T107-D128 PolarHBondContact N-OD2 2.82Å; T107-D128 WeakPolarHBondContact OG1-CB 3.5Å; K108-D128 HydrophobicContact CB-CB 4.06Å; K108-D128 HydrophobicContact CG-CB 4.15Å; S126-D128 VanDerWaalsContact CB-OD1 3.26Å; S126-D128 WeakPolarHBondContact CB-OD1 3.46Å; S126-D128 PolarHBondContact O-N 2.94Å; S126-D128 VanDerWaalsContact O-N 3.16Å; S126-D128 PolarHBondContact OG-N 3.17Å; S126-D128 PolarHBondContact OG-OD1 2.93Å; S126-D128 PolarHBondContact OG-OD2 2.69Å; D128-T130 VanDerWaalsContact C-N 3.33Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 PolarHBondContact OD1-N 2.81Å; D128-T130 PolarHBondContact OD1-OG1 3.38Å; D128-T130 PolarHBondContact OD2-OG1 3.45Å
129R98.2Very high97.4Very high141 Ų14139 Ų3953%0.53219%0.186SC..SBendtrans65.434.3-179.5-52.9-177.9-68.7-174.8-1.7113.1S126 L127 V147S126-R129 PolarHBondContact O-N 2.66Å; L127-R129 PolarHBondContact O-N 2.69Å; R129-V147 HydrophobicContact CB-CG2 4.21Å; R129-V147 WeakPolarHBondContact CB-O 3.39Å; R129-V147 WeakPolarHBondContact O-CG2 3.38Å; R129-V147 PolarHBondContact O-N 2.74Å
130T98.5Very high97.5Very high17 Ų1740.3 Ų40.310%0.10419%0.193CC..EExtended strand (participates in β ladder)trans-118.3146.6168.868.70000111.4H106 S126 D128 Y144 I145H106-T130 PolarHBondContact CE1-OG1 3.44Å; H106-T130 PolarHBondContact ND1-OG1 2.83Å; S126-T130 PolarHBondContact N-O 2.97Å; S126-T130 VanDerWaalsContact N-O 3.17Å; D128-T130 VanDerWaalsContact C-N 3.33Å; D128-T130 WeakPolarHBondContact OD1-CB 3.5Å; D128-T130 PolarHBondContact OD1-N 2.81Å; D128-T130 PolarHBondContact OD1-OG1 3.38Å; D128-T130 PolarHBondContact OD2-OG1 3.45Å; T130-Y144 HydrophobicContact CG2-CD2 4.22Å; T130-I145 CarbonylContact C-O 3.6Å; T130-I145 WeakPolarHBondContact CA-O 3.35Å
131V98.7Very high97.6Very high3 Ų341 Ų412%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-105.5121.3160.5179.20000107.5L123 S124 Y144 I145 P151 L153 L164L123-V131 HydrophobicContact CD2-CG1 4.19Å; S124-V131 CarbonylContact O-C 3.48Å; S124-V131 VanDerWaalsContact O-CA 3.23Å; S124-V131 WeakPolarHBondContact O-CA 3.46Å; V131-Y144 CarbonylContact O-C 3.59Å; V131-Y144 WeakPolarHBondContact O-CA 3.47Å; V131-Y144 VanDerWaalsContact O-CB 3.26Å; V131-Y144 WeakPolarHBondContact O-CB 3.32Å; V131-I145 HydrophobicContact CB-CB 4.39Å; V131-I145 PolarHBondContact N-O 2.86Å; V131-I145 PolarHBondContact O-N 2.87Å; V131-P151 HydrophobicContact CG2-CB 3.85Å; V131-P151 HydrophobicContact CG2-CG 3.46Å; V131-P151 VanDerWaalsContact CG2-CG 3.46Å; V131-L153 HydrophobicContact CG1-CD2 3.74Å; V131-L153 HydrophobicContact CG2-CD2 4.37Å; V131-L164 HydrophobicContact CG1-CD2 4.23Å; V131-L164 HydrophobicContact CG2-CD1 3.77Å; V131-L164 HydrophobicContact CG2-CD2 3.78Å; V131-L164 HydrophobicContact CG2-CG 4.44Å
132R98.6Very high97.7Very high43 Ų4344.5 Ų44.516%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-108.4139.8-179.6-69.9-178.1174.2-108.9-1.1111.1G105 L123 S124 W134G105-R132 VanDerWaalsContact C-NH2 3.35Å; G105-R132 VanDerWaalsContact O-CZ 3.3Å; G105-R132 PolarHBondContact O-NH2 3.27Å; L123-R132 WeakPolarHBondContact CA-O 2.99Å; S124-R132 PolarHBondContact N-O 3.35Å; S124-R132 PolarHBondContact O-N 3.42Å; R132-W134 HydrophobicContact CB-CZ2 3.68Å; R132-W134 HydrophobicContact CG-CZ2 4.17Å
133L98.3Very high97.6Very high18 Ų1845.1 Ų45.19%0.09422%0.215CC..EExtended strand (participates in β ladder)trans-98.8134.2173-178.368.2000110.2T121 L123 Q142 G143 M176 F179T121-L133 HydrophobicContact CG2-CD1 3.33Å; T121-L133 HydrophobicContact CG2-CG 4.34Å; L123-L133 HydrophobicContact CD2-CB 4.35Å; L123-L133 HydrophobicContact CD2-CD1 3.69Å; L123-L133 HydrophobicContact CG-CD1 4.45Å; L133-Q142 HydrophobicContact CB-CB 4.47Å; L133-Q142 HydrophobicContact CD2-CB 3.99Å; L133-Q142 HydrophobicContact CG-CB 4.12Å; L133-Q142 PolarHBondContact O-N 2.89Å; L133-G143 PolarHBondContact N-O 2.87Å; L133-M176 HydrophobicContact CD1-CE 3.3Å; L133-M176 HydrophobicContact CD1-SD 4.09Å; L133-M176 HydrophobicContact CD2-CE 3.42Å; L133-M176 VanDerWaalsContact CD2-CE 3.42Å; L133-M176 HydrophobicContact CG-CE 3.97Å; L133-F179 HydrophobicContact CD2-CD1 4.49Å; L133-F179 HydrophobicContact CD2-CE1 3.72Å; L133-F179 HydrophobicContact CD2-CZ 4.11Å
134W98.2Very high97.5Very high1 Ų151.4 Ų51.40%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-131142.7-179.9-47.592.7000111.1F103 N104 T121 M122 S124 R132 C141F103-W134 HydrophobicContact CB-CD2 4.06Å; F103-W134 HydrophobicContact CB-CE3 3.81Å; F103-W134 HydrophobicContact CB-CH2 4.1Å; F103-W134 HydrophobicContact CB-CZ2 4.33Å; F103-W134 HydrophobicContact CB-CZ3 3.84Å; F103-W134 HydrophobicContact CD1-CB 4.31Å; F103-W134 HydrophobicContact CD1-CD2 4.19Å; F103-W134 AromaticContact CD1-CE3 3.75Å; F103-W134 HydrophobicContact CD1-CE3 3.75Å; F103-W134 HydrophobicContact CD1-CG 4.46Å; F103-W134 HydrophobicContact CD1-CZ3 4.41Å; F103-W134 HydrophobicContact CE1-CB 4.41Å; F103-W134 HydrophobicContact CG-CD2 4.37Å; F103-W134 HydrophobicContact CG-CE3 4.17Å; N104-W134 WeakPolarHBondContact O-CH2 3.2Å; T121-W134 CarbonylContact C-O 3.57Å; T121-W134 WeakPolarHBondContact CA-O 3.36Å; M122-W134 HydrophobicContact CE-CB 3.56Å; M122-W134 HydrophobicContact CE-CD2 4.38Å; M122-W134 HydrophobicContact CE-CG 3.6Å; M122-W134 HydrophobicContact CG-CB 3.68Å; M122-W134 HydrophobicContact CG-CG 4.15Å; M122-W134 PolarHBondContact N-O 2.89Å; M122-W134 PolarHBondContact O-N 3.27Å; S124-W134 PolarHBondContact OG-NE1 2.88Å; R132-W134 HydrophobicContact CB-CZ2 3.68Å; R132-W134 HydrophobicContact CG-CZ2 4.17Å; W134-C141 HydrophobicContact CE3-CB 4.13Å; W134-C141 HydrophobicContact CH2-CB 4.04Å; W134-C141 HydrophobicContact CZ3-CB 3.67Å
135D96.8Very high97.5Very high26 Ų2652.4 Ų52.414%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-101.3124.6164.4-178.1-30.6000107.5R137 S138 Q142D135-R137 PolarHBondContact O-N 2.93Å; D135-R137 WeakPolarHBondContact OD1-CA 3.5Å; D135-R137 WeakPolarHBondContact OD1-CB 3.2Å; D135-R137 WeakPolarHBondContact OD1-CG 3.45Å; D135-R137 IonicContact OD1-CZ 3.29Å; D135-R137 PolarHBondContact OD1-N 2.94Å; D135-R137 IonicContact OD1-NE 3.78Å; D135-R137 PolarHBondContact OD1-NE 3.49Å; D135-R137 IonicContact OD1-NH2 2.75Å; D135-R137 IonicContact OD2-CZ 2.62Å; D135-R137 IonicContact OD2-NE 3.34Å; D135-R137 PolarHBondContact OD2-NE 3.13Å; D135-R137 IonicContact OD2-NH2 3.69Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å; D135-S138 CarbonylContact O-C 3.58Å; D135-S138 PolarHBondContact O-N 2.8Å; D135-Q142 HydrophobicContact CB-CG 3.88Å
136L96.6Very high97.4Very high13 Ų1356.6 Ų56.67%0.06827%0.274CS..THydrogen-bonded Turntrans-60.7-11.6-179.8-68176.9000113.6T72 V79 R101 F103 G120 M122T72-L136 HydrophobicContact CG2-CD1 3.69Å; T72-L136 HydrophobicContact CG2-CD2 4.3Å; V79-L136 HydrophobicContact CG1-CD2 3.74Å; R101-L136 VanDerWaalsContact CD-O 3.24Å; R101-L136 WeakPolarHBondContact CD-O 3.24Å; R101-L136 PolarHBondContact NE-O 3.35Å; F103-L136 HydrophobicContact CE2-CD2 4.17Å; F103-L136 HydrophobicContact CZ-CD2 3.8Å; G120-L136 VanDerWaalsContact O-CB 3.28Å; G120-L136 WeakPolarHBondContact O-CB 3.33Å; G120-L136 WeakPolarHBondContact O-CG 3.49Å; G120-L136 PolarHBondContact O-N 2.88Å; M122-L136 HydrophobicContact CE-CD2 4.29Å; M122-L136 HydrophobicContact CG-CD2 4.34Å; M122-L136 HydrophobicContact SD-CD2 3.95Å
137R95.8Very high97.4Very high180 Ų18057.2 Ų57.268%0.67928%0.278SS*.THydrogen-bonded Turntrans-92.5-9.9175.6-54.9168.4-66.4-173.92113R101 D135R101-R137 VanDerWaalsContact CZ-C 3.43Å; R101-R137 PolarHBondContact NE-O 3.27Å; R101-R137 PolarHBondContact NH1-O 2.76Å; R101-R137 PolarHBondContact NH2-O 3.14Å; D135-R137 PolarHBondContact O-N 2.93Å; D135-R137 WeakPolarHBondContact OD1-CA 3.5Å; D135-R137 WeakPolarHBondContact OD1-CB 3.2Å; D135-R137 WeakPolarHBondContact OD1-CG 3.45Å; D135-R137 IonicContact OD1-CZ 3.29Å; D135-R137 PolarHBondContact OD1-N 2.94Å; D135-R137 IonicContact OD1-NE 3.78Å; D135-R137 PolarHBondContact OD1-NE 3.49Å; D135-R137 IonicContact OD1-NH2 2.75Å; D135-R137 IonicContact OD2-CZ 2.62Å; D135-R137 IonicContact OD2-NE 3.34Å; D135-R137 PolarHBondContact OD2-NE 3.13Å; D135-R137 IonicContact OD2-NH2 3.69Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å
138S96.5Very high97.2Very high32 Ų3257.4 Ų57.422%0.22429%0.285CS..  trans-127.6140.2-177.2-178.40000111.4F103 D135 N140 Q142F103-S138 VanDerWaalsContact CE1-O 3.23Å; F103-S138 WeakPolarHBondContact CE1-O 3.48Å; D135-S138 CarbonylContact O-C 3.58Å; D135-S138 PolarHBondContact O-N 2.8Å; S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact OG-N 3.4Å; S138-Q142 PolarHBondContact OG-NE2 3.45Å
139Q93.4Very high97.1Very high126 Ų12657 Ų5759%0.58929%0.286SS*.SBendtrans-78.1-16.5173.668.8-173.416.100113
140N96.8Very high97Very high100 Ų10053 Ų5354%0.53528%0.278SS..SBendtrans-86.4140.8-175.1-63.5-27.9000110.6S138 Q142S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact OG-N 3.4Å; N140-Q142 PolarHBondContact O-N 2.89Å; N140-Q142 PolarHBondContact O-NE2 3.16Å
141C97.5Very high97Very high38 Ų3852.2 Ų52.226%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-58.8128.8168.6-166.80000109.2W134 G143W134-C141 HydrophobicContact CE3-CB 4.13Å; W134-C141 HydrophobicContact CH2-CB 4.04Å; W134-C141 HydrophobicContact CZ3-CB 3.67Å; C141-G143 PolarHBondContact SG-O 3.42Å
142Q97.3Very high97Very high94 Ų9453.2 Ų53.244%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-84.8-21.3-178.1-60.8-55.2-61.700112.4L133 D135 S138 N140L133-Q142 HydrophobicContact CB-CB 4.47Å; L133-Q142 HydrophobicContact CD2-CB 3.99Å; L133-Q142 HydrophobicContact CG-CB 4.12Å; L133-Q142 PolarHBondContact O-N 2.89Å; D135-Q142 HydrophobicContact CB-CG 3.88Å; S138-Q142 PolarHBondContact OG-NE2 3.45Å; N140-Q142 PolarHBondContact O-N 2.89Å; N140-Q142 PolarHBondContact O-NE2 3.16Å
143G97Very high97Very high12 Ų1251.6 Ų51.612%0.12427%0.272CS..EExtended strand (participates in β ladder)trans174.8171.5172.600000109.7L133 C141L133-G143 PolarHBondContact N-O 2.87Å; C141-G143 PolarHBondContact SG-O 3.42Å
144Y97.2Very high97Very high135 Ų13551.7 Ų51.753%0.52927%0.274SS..EExtended strand (participates in β ladder)trans-152157.1175.272-87.2000112.3T130 V131T130-Y144 HydrophobicContact CG2-CD2 4.22Å; V131-Y144 CarbonylContact O-C 3.59Å; V131-Y144 WeakPolarHBondContact O-CA 3.47Å; V131-Y144 VanDerWaalsContact O-CB 3.26Å; V131-Y144 WeakPolarHBondContact O-CB 3.32Å
145I98Very high97Very high21 Ų2152 Ų5211%0.10828%0.275CS..EExtended strand (participates in β ladder)trans-113.9128.6174.6-57.8162000107.8T130 V131 V147 F162 Y174 F179T130-I145 CarbonylContact C-O 3.6Å; T130-I145 WeakPolarHBondContact CA-O 3.35Å; V131-I145 HydrophobicContact CB-CB 4.39Å; V131-I145 PolarHBondContact N-O 2.86Å; V131-I145 PolarHBondContact O-N 2.87Å; I145-V147 HydrophobicContact CG2-CG1 4.04Å; I145-F162 HydrophobicContact CD1-CE2 4.09Å; I145-F162 HydrophobicContact CD1-CZ 3.81Å; I145-Y174 HydrophobicContact CD1-CD1 3.8Å; I145-Y174 HydrophobicContact CD1-CE1 3.61Å; I145-Y174 HydrophobicContact CD1-CG 4.35Å; I145-Y174 HydrophobicContact CG1-CE1 4.45Å; I145-Y174 HydrophobicContact CG2-CE1 4.46Å; I145-F179 HydrophobicContact CD1-CB 4.32Å; I145-F179 HydrophobicContact CD1-CD2 3.83Å; I145-F179 HydrophobicContact CD1-CG 4.5Å; I145-F179 HydrophobicContact CG1-CD2 3.7Å; I145-F179 HydrophobicContact CG1-CE2 4.26Å
146S97.4Very high97.1Very high88 Ų8851.4 Ų51.462%0.61527%0.272SS*.EExtended strand (participates in β ladder)trans-83131167.2-63.50000109.9
147V97.2Very high97.1Very high14 Ų1452.9 Ų52.99%0.08528%0.283CS..  trans-121.8162.6-178.6-69.70000112.3R129 I145 A149 P151 L164 M166R129-V147 HydrophobicContact CB-CG2 4.21Å; R129-V147 WeakPolarHBondContact CB-O 3.39Å; R129-V147 WeakPolarHBondContact O-CG2 3.38Å; R129-V147 PolarHBondContact O-N 2.74Å; I145-V147 HydrophobicContact CG2-CG1 4.04Å; V147-A149 WeakPolarHBondContact CG2-O 3.31Å; V147-P151 HydrophobicContact CG2-CB 4.21Å; V147-P151 HydrophobicContact CG2-CG 3.85Å; V147-L164 HydrophobicContact CG1-CD1 4.14Å; V147-M166 HydrophobicContact CB-SD 3.49Å; V147-M166 WeakPolarHBondContact CB-SD 3.19Å; V147-M166 HydrophobicContact CG1-CE 4.35Å; V147-M166 HydrophobicContact CG1-SD 3.74Å; V147-M166 HydrophobicContact CG2-SD 4.07Å
148S94.7Very high97.1Very high80 Ų8050.3 Ų50.356%0.55928%0.279SS*.SBendtrans-78.1-25.3-176.249.40000113.7
149A96.1Very high97.2Very high16 Ų1649.2 Ų49.213%0.13227%0.272CS..SBendtrans-144163.2-178.600000110.3V147 P151 M166V147-A149 WeakPolarHBondContact CG2-O 3.31Å; A149-P151 WeakPolarHBondContact O-CD 3.34Å; A149-M166 HydrophobicContact CB-CB 4.34Å
150P97.3Very high97.3Very high56 Ų5647 Ų4736%0.36426%0.263SS..PPolyproline II helixtrans-55125.3177-25.835.5000112.2I111 L127I111-P150 HydrophobicContact CD1-CB 3.52Å; L127-P150 HydrophobicContact CD2-CB 4.03Å; L127-P150 HydrophobicContact CD2-CG 4Å
151P98Very high97.3Very high0 Ų043.9 Ų43.90%025%0.246CC..PPolyproline II helixtrans-95.2139.1-172.934.3-32.1000113S126 V131 V147 A149 M166S126-P151 WeakPolarHBondContact O-CD 3.48Å; V131-P151 HydrophobicContact CG2-CB 3.85Å; V131-P151 HydrophobicContact CG2-CG 3.46Å; V131-P151 VanDerWaalsContact CG2-CG 3.46Å; V147-P151 HydrophobicContact CG2-CB 4.21Å; V147-P151 HydrophobicContact CG2-CG 3.85Å; A149-P151 WeakPolarHBondContact O-CD 3.34Å; P151-M166 HydrophobicContact CB-CG 3.99Å; P151-M166 HydrophobicContact CB-SD 4.46Å
152M98.3Very high97.4Very high24 Ų2442.1 Ų42.112%0.11823%0.234CC..EExtended strand (participates in β ladder)trans-94.6146.4157-64.7-59.1147.200109.4I111 A112 L164 A165 I198 L201I111-M152 HydrophobicContact CB-CE 4.07Å; I111-M152 HydrophobicContact CD1-CE 3.64Å; I111-M152 HydrophobicContact CG1-CE 3.89Å; A112-M152 HydrophobicContact CB-SD 4Å; M152-L164 CarbonylContact O-C 3.55Å; M152-L164 VanDerWaalsContact O-CA 3.29Å; M152-L164 WeakPolarHBondContact O-CA 3.09Å; M152-A165 PolarHBondContact N-O 2.93Å; M152-A165 PolarHBondContact O-N 3.49Å; M152-I198 HydrophobicContact CB-CG2 4.05Å; M152-I198 HydrophobicContact CG-CB 4.38Å; M152-I198 HydrophobicContact CG-CG2 3.83Å; M152-L201 HydrophobicContact CB-CB 4.37Å
153L98.6Very high97.4Very high10 Ų1037.7 Ų37.75%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-146.3156.4-17363.777.9000113.9A112 L123 V131 A163 L164A112-L153 HydrophobicContact CB-CD2 4.46Å; A112-L153 HydrophobicContact CB-CG 3.82Å; L123-L153 HydrophobicContact CB-CD1 3.75Å; L123-L153 HydrophobicContact CB-CD2 3.92Å; L123-L153 HydrophobicContact CB-CG 4.49Å; V131-L153 HydrophobicContact CG1-CD2 3.74Å; V131-L153 HydrophobicContact CG2-CD2 4.37Å; L153-A163 VanDerWaalsContact CA-O 3.27Å; L153-A163 WeakPolarHBondContact CA-O 3.43Å; L153-L164 HydrophobicContact CB-CD2 3.55Å; L153-L164 HydrophobicContact CD2-CD2 4.34Å
154S98.4Very high97.5Very high19 Ų1937.1 Ų37.113%0.13321%0.207CC..EExtended strand (participates in β ladder)trans-155.9144.7167.7-171.20000109.8F162 A163S154-F162 VanDerWaalsContact O-CA 3.27Å; S154-F162 WeakPolarHBondContact O-CA 3.49Å; S154-F162 VanDerWaalsContact O-CB 3.29Å; S154-F162 WeakPolarHBondContact O-CB 3.35Å; S154-A163 PolarHBondContact N-O 2.75Å; S154-A163 PolarHBondContact O-N 2.93Å
155F98.4Very high97.5Very high7 Ų730.7 Ų30.73%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-66.5154.7158.7-76.8-75.2000110.8S114 T121 L123 F162 M176 F203S114-F155 WeakPolarHBondContact O-CE2 3.47Å; S114-F155 WeakPolarHBondContact OG-CD2 3.47Å; S114-F155 PolarHBondContact OG-N 3.03Å; T121-F155 HydrophobicContact CG2-CZ 4.2Å; L123-F155 HydrophobicContact CB-CE2 4.16Å; L123-F155 HydrophobicContact CB-CZ 4.45Å; L123-F155 HydrophobicContact CD1-CD1 4.2Å; L123-F155 HydrophobicContact CD1-CD2 4.14Å; L123-F155 HydrophobicContact CD1-CE1 3.73Å; L123-F155 HydrophobicContact CD1-CE2 3.66Å; L123-F155 HydrophobicContact CD1-CG 4.39Å; L123-F155 HydrophobicContact CD1-CZ 3.45Å; L123-F155 VanDerWaalsContact CD1-CZ 3.45Å; L123-F155 HydrophobicContact CD2-CZ 4.45Å; L123-F155 HydrophobicContact CG-CE1 4.21Å; L123-F155 HydrophobicContact CG-CE2 3.64Å; L123-F155 HydrophobicContact CG-CZ 3.46Å; L123-F155 VanDerWaalsContact CG-CZ 3.46Å; F155-F162 HydrophobicContact CD1-CB 4.12Å; F155-M176 HydrophobicContact CE1-CG 4.24Å; F155-M176 HydrophobicContact CE1-SD 3.71Å; F155-M176 HydrophobicContact CZ-SD 4.2Å; F155-F203 WeakPolarHBondContact O-CD2 3.24Å
156D98Very high97.4Very high15 Ų1529.8 Ų29.88%0.0818%0.178CC..  trans-74.6166161.181-57000111.1E158 G159 I160 M161 F203D156-E158 PolarHBondContact O-N 2.73Å; D156-E158 PolarHBondContact OD2-N 3.23Å; D156-G159 PolarHBondContact O-N 3.49Å; D156-G159 WeakPolarHBondContact OD1-CA 3.39Å; D156-G159 PolarHBondContact OD1-N 3.16Å; D156-G159 VanDerWaalsContact OD1-N 3.08Å; D156-I160 PolarHBondContact OD1-N 2.97Å; D156-M161 HydrophobicContact CB-CG 3.51Å; D156-M161 HydrophobicContact CB-SD 4.32Å; D156-M161 PolarHBondContact N-O 2.84Å; D156-M161 WeakPolarHBondContact OD1-CG 3.34Å; D156-M161 PolarHBondContact OD1-N 3Å; D156-F203 HydrophobicContact CB-CD1 4.27Å; D156-F203 HydrophobicContact CB-CD2 4.38Å; D156-F203 HydrophobicContact CB-CE1 4.23Å; D156-F203 HydrophobicContact CB-CE2 4.35Å; D156-F203 HydrophobicContact CB-CG 4.32Å; D156-F203 HydrophobicContact CB-CZ 4.27Å
157P96.9Very high97.1Very high44 Ų4428.4 Ų28.429%0.28616%0.161SC..THydrogen-bonded Turntrans-59.9-27.2-177.3-25.736.3000114.8P117 F203 S204 P205P117-P157 WeakPolarHBondContact CG-O 3.35Å; P157-F203 HydrophobicContact CG-CB 4.44Å; P157-S204 WeakPolarHBondContact CG-O 3.48Å; P157-P205 WeakPolarHBondContact CB-O 3.5Å; P157-P205 WeakPolarHBondContact CG-O 3.44Å
158E97.1Very high96.7Very high126 Ų12633.2 Ų33.259%0.58919%0.193SC*.THydrogen-bonded Turntrans-90.1-6.9179-58.8-63.5135.300112.8V118 D156 I160V118-E158 VanDerWaalsContact CG1-O 3.24Å; V118-E158 WeakPolarHBondContact CG1-O 3.13Å; D156-E158 PolarHBondContact O-N 2.73Å; D156-E158 PolarHBondContact OD2-N 3.23Å; E158-I160 HydrophobicContact CB-CD1 3.86Å; E158-I160 HydrophobicContact CB-CG1 3.97Å; E158-I160 PolarHBondContact O-N 3.4Å
159G96.5Very high96.3Very high8 Ų829.5 Ų29.58%0.08217%0.167CC..SBendtrans64.717.2-177.600000114.6D156D156-G159 PolarHBondContact O-N 3.49Å; D156-G159 WeakPolarHBondContact OD1-CA 3.39Å; D156-G159 PolarHBondContact OD1-N 3.16Å; D156-G159 VanDerWaalsContact OD1-N 3.08Å
160I96.8Very high96.2Very high80 Ų8029.7 Ų29.741%0.4117%0.168SC..SBendtrans-87.6-28.4-178.8-61.3172.4000110.7D156 E158 M176D156-I160 PolarHBondContact OD1-N 2.97Å; E158-I160 HydrophobicContact CB-CD1 3.86Å; E158-I160 HydrophobicContact CB-CG1 3.97Å; E158-I160 PolarHBondContact O-N 3.4Å; I160-M176 WeakPolarHBondContact O-CB 3.24Å; I160-M176 PolarHBondContact O-N 2.9Å
161M97Very high96.2Very high35 Ų3527 Ų2717%0.17215%0.15CC..EExtended strand (participates in β ladder)trans-133.7169.8178.768.5172.574.800111.1D156 Y174 Y184 F203D156-M161 HydrophobicContact CB-CG 3.51Å; D156-M161 HydrophobicContact CB-SD 4.32Å; D156-M161 PolarHBondContact N-O 2.84Å; D156-M161 WeakPolarHBondContact OD1-CG 3.34Å; D156-M161 PolarHBondContact OD1-N 3Å; M161-Y174 CarbonylContact C-O 3.46Å; M161-Y174 WeakPolarHBondContact CA-O 3.44Å; M161-Y174 VanDerWaalsContact CB-O 3.24Å; M161-Y174 WeakPolarHBondContact CB-O 3.19Å; M161-Y184 HydrophobicContact CB-CE1 4.45Å; M161-Y184 VanDerWaalsContact CE-OH 3.27Å; M161-Y184 WeakPolarHBondContact CE-OH 3.46Å; M161-Y184 PolarHBondContact SD-OH 3.4Å; M161-F203 HydrophobicContact SD-CE1 4.46Å
162F98.2Very high96.2Very high1 Ų130.1 Ų30.10%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-143.7153.3167.561.4-89.1000110.3L123 I145 S154 F155 L164 Y174 M176 F179L123-F162 HydrophobicContact CD1-CB 3.62Å; L123-F162 HydrophobicContact CD1-CD1 3.78Å; L123-F162 HydrophobicContact CD1-CD2 3.78Å; L123-F162 HydrophobicContact CD1-CE1 4.34Å; L123-F162 HydrophobicContact CD1-CE2 4.35Å; L123-F162 HydrophobicContact CD1-CG 3.45Å; L123-F162 VanDerWaalsContact CD1-CG 3.45Å; I145-F162 HydrophobicContact CD1-CE2 4.09Å; I145-F162 HydrophobicContact CD1-CZ 3.81Å; S154-F162 VanDerWaalsContact O-CA 3.27Å; S154-F162 WeakPolarHBondContact O-CA 3.49Å; S154-F162 VanDerWaalsContact O-CB 3.29Å; S154-F162 WeakPolarHBondContact O-CB 3.35Å; F155-F162 HydrophobicContact CD1-CB 4.12Å; F162-L164 HydrophobicContact CD2-CD2 3.83Å; F162-L164 HydrophobicContact CD2-CG 4.16Å; F162-L164 HydrophobicContact CE2-CD1 4.35Å; F162-L164 HydrophobicContact CE2-CD2 3.88Å; F162-L164 HydrophobicContact CE2-CG 4.02Å; F162-Y174 HydrophobicContact CD2-CD2 4.29Å; F162-Y174 HydrophobicContact CD2-CG 4.44Å; F162-Y174 HydrophobicContact CE1-CG 4.39Å; F162-Y174 HydrophobicContact CE2-CD1 4.48Å; F162-Y174 AromaticContact CE2-CD2 3.71Å; F162-Y174 HydrophobicContact CE2-CD2 3.71Å; F162-Y174 AromaticContact CE2-CG 3.67Å; F162-Y174 HydrophobicContact CE2-CG 3.67Å; F162-Y174 HydrophobicContact CZ-CD1 4.2Å; F162-Y174 HydrophobicContact CZ-CD2 4.19Å; F162-Y174 AromaticContact CZ-CG 3.65Å; F162-Y174 HydrophobicContact CZ-CG 3.65Å; F162-Y174 PolarHBondContact N-O 2.96Å; F162-Y174 PolarHBondContact O-N 2.85Å; F162-M176 HydrophobicContact CD1-SD 4.09Å; F162-M176 HydrophobicContact CE1-SD 4.06Å; F162-F179 HydrophobicContact CE1-CB 3.9Å; F162-F179 HydrophobicContact CZ-CB 3.85Å
163A98.4Very high96.2Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-106.1142.5173.900000110.4L153 S154 I171 R172 L173 L201 F203 I210L153-A163 VanDerWaalsContact CA-O 3.27Å; L153-A163 WeakPolarHBondContact CA-O 3.43Å; S154-A163 PolarHBondContact N-O 2.75Å; S154-A163 PolarHBondContact O-N 2.93Å; A163-I171 HydrophobicContact CB-CG2 4.39Å; A163-R172 CarbonylContact C-O 3.49Å; A163-R172 WeakPolarHBondContact CA-O 3.46Å; A163-L173 HydrophobicContact CB-CD2 3.67Å; A163-L201 HydrophobicContact CB-CD1 3.8Å; A163-L201 HydrophobicContact CB-CD2 3.87Å; A163-F203 HydrophobicContact CB-CE2 3.58Å; A163-F203 HydrophobicContact CB-CZ 3.59Å; A163-I210 HydrophobicContact CB-CD1 4.09Å
164L98.3Very high96.2Very high0 Ų028.7 Ų28.70%016%0.155CC..EExtended strand (participates in β ladder)trans-113.1131.3166.3-54.8-174.6000108.7V131 V147 M152 L153 F162 M166 I171 R172 Y174V131-L164 HydrophobicContact CG1-CD2 4.23Å; V131-L164 HydrophobicContact CG2-CD1 3.77Å; V131-L164 HydrophobicContact CG2-CD2 3.78Å; V131-L164 HydrophobicContact CG2-CG 4.44Å; V147-L164 HydrophobicContact CG1-CD1 4.14Å; M152-L164 CarbonylContact O-C 3.55Å; M152-L164 VanDerWaalsContact O-CA 3.29Å; M152-L164 WeakPolarHBondContact O-CA 3.09Å; L153-L164 HydrophobicContact CB-CD2 3.55Å; L153-L164 HydrophobicContact CD2-CD2 4.34Å; F162-L164 HydrophobicContact CD2-CD2 3.83Å; F162-L164 HydrophobicContact CD2-CG 4.16Å; F162-L164 HydrophobicContact CE2-CD1 4.35Å; F162-L164 HydrophobicContact CE2-CD2 3.88Å; F162-L164 HydrophobicContact CE2-CG 4.02Å; L164-M166 HydrophobicContact CB-CE 4.36Å; L164-I171 CarbonylContact O-C 3.57Å; L164-I171 VanDerWaalsContact O-CA 3.29Å; L164-I171 WeakPolarHBondContact O-CA 3.44Å; L164-R172 HydrophobicContact CB-CB 4.45Å; L164-R172 PolarHBondContact N-O 2.81Å; L164-R172 PolarHBondContact O-N 2.79Å; L164-Y174 HydrophobicContact CB-CE2 4.49Å; L164-Y174 HydrophobicContact CD1-CD2 4.09Å; L164-Y174 HydrophobicContact CD1-CE2 3.49Å; L164-Y174 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y174 HydrophobicContact CG-CD2 4.07Å; L164-Y174 HydrophobicContact CG-CE2 3.86Å
165A97.5Very high96.1Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-116.1136.1168.200000111.2M152 S170 I171 I198 L201 L212M152-A165 PolarHBondContact N-O 2.93Å; M152-A165 PolarHBondContact O-N 3.49Å; A165-S170 CarbonylContact C-O 3.57Å; A165-S170 VanDerWaalsContact CA-O 3.27Å; A165-S170 WeakPolarHBondContact CA-O 3.31Å; A165-I171 HydrophobicContact CB-CG1 4.26Å; A165-I198 HydrophobicContact CB-CD1 3.92Å; A165-I198 HydrophobicContact CB-CG2 4.39Å; A165-L201 HydrophobicContact CB-CD1 3.58Å; A165-L212 HydrophobicContact CB-CD2 3.76Å
166M95.6Very high96Very high3 Ų331.3 Ų31.32%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-145.8152.6-172.3-70.2171-7400110.1V147 A149 P151 L164 G169 S170 R172V147-M166 HydrophobicContact CB-SD 3.49Å; V147-M166 WeakPolarHBondContact CB-SD 3.19Å; V147-M166 HydrophobicContact CG1-CE 4.35Å; V147-M166 HydrophobicContact CG1-SD 3.74Å; V147-M166 HydrophobicContact CG2-SD 4.07Å; A149-M166 HydrophobicContact CB-CB 4.34Å; P151-M166 HydrophobicContact CB-CG 3.99Å; P151-M166 HydrophobicContact CB-SD 4.46Å; L164-M166 HydrophobicContact CB-CE 4.36Å; M166-G169 PolarHBondContact O-N 2.97Å; M166-S170 PolarHBondContact N-O 3.03Å; M166-S170 PolarHBondContact O-N 2.79Å; M166-R172 HydrophobicContact CE-CG 3.95Å
167E92Very high95.9Very high58 Ų5839.7 Ų39.727%0.27120%0.197SC..THydrogen-bonded Turntrans-82.4144.2177-60.5-58.7169.500113.4G169 S197 I198E167-G169 PolarHBondContact OE2-N 3.48Å; E167-S197 WeakPolarHBondContact OE1-CA 3.2Å; E167-I198 VanDerWaalsContact OE1-CD1 3.3Å; E167-I198 WeakPolarHBondContact OE1-CD1 3.49Å; E167-I198 WeakPolarHBondContact OE1-CG1 3.46Å; E167-I198 PolarHBondContact OE1-N 2.67Å
168P88.4Confident95.8Very high116 Ų11643.8 Ų43.875%0.75321%0.208SC*.THydrogen-bonded Turncis-85.5109.7-2.132.1-31.7000112.8S170P168-S170 VanDerWaalsContact C-N 3.3Å; P168-S170 PolarHBondContact O-N 2.78Å; P168-S170 VanDerWaalsContact O-N 3.11Å
169G86.5Confident95.8Very high2 Ų238.7 Ų38.72%0.02118%0.184CC..THydrogen-bonded Turntrans55.626.6169.500000117.8M166 E167 L189M166-G169 PolarHBondContact O-N 2.97Å; E167-G169 PolarHBondContact OE2-N 3.48Å; G169-L189 WeakPolarHBondContact O-CB 3.05Å; G169-L189 PolarHBondContact O-N 3.01Å
170S94.7Very high95.7Very high20 Ų2045.9 Ų45.914%0.1422%0.215CC..EExtended strand (participates in β ladder)trans-88.8126.2177.2-1770000110.8A165 M166 P168 F187A165-S170 CarbonylContact C-O 3.57Å; A165-S170 VanDerWaalsContact CA-O 3.27Å; A165-S170 WeakPolarHBondContact CA-O 3.31Å; M166-S170 PolarHBondContact N-O 3.03Å; M166-S170 PolarHBondContact O-N 2.79Å; P168-S170 VanDerWaalsContact C-N 3.3Å; P168-S170 PolarHBondContact O-N 2.78Å; P168-S170 VanDerWaalsContact O-N 3.11Å; S170-F187 WeakPolarHBondContact CA-O 2.99Å
171I97.1Very high95.6Very high0 Ų050 Ų500%023%0.231CC..EExtended strand (participates in β ladder)trans-108.1131.6167.7-60.4173.7000108.4A163 L164 A165 L173 T186 F187 L189 I210 L212 V222A163-I171 HydrophobicContact CB-CG2 4.39Å; L164-I171 CarbonylContact O-C 3.57Å; L164-I171 VanDerWaalsContact O-CA 3.29Å; L164-I171 WeakPolarHBondContact O-CA 3.44Å; A165-I171 HydrophobicContact CB-CG1 4.26Å; I171-L173 HydrophobicContact CG2-CD2 4.12Å; I171-T186 CarbonylContact O-C 3.52Å; I171-T186 VanDerWaalsContact O-CA 3.3Å; I171-T186 WeakPolarHBondContact O-CA 3.2Å; I171-F187 HydrophobicContact CB-CB 4.35Å; I171-F187 HydrophobicContact CB-CD2 4.1Å; I171-F187 HydrophobicContact CG2-CD2 4.07Å; I171-F187 PolarHBondContact N-O 3.13Å; I171-F187 PolarHBondContact O-N 3.46Å; I171-L189 HydrophobicContact CD1-CD1 3.73Å; I171-L189 HydrophobicContact CD1-CG 4.35Å; I171-L189 HydrophobicContact CG1-CD1 4.19Å; I171-I210 HydrophobicContact CD1-CG2 4.26Å; I171-I210 HydrophobicContact CG2-CD1 4.01Å; I171-L212 HydrophobicContact CD1-CD1 4Å; I171-L212 HydrophobicContact CG1-CD1 4.33Å; I171-V222 HydrophobicContact CD1-CB 4.42Å; I171-V222 HydrophobicContact CD1-CG1 4.42Å; I171-V222 HydrophobicContact CD1-CG2 4.26Å
172R97.6Very high95.6Very high64 Ų6449.5 Ų49.524%0.24223%0.234CC..EExtended strand (participates in β ladder)trans-124132.5176.7-62.1-171.2-176-179.8-1.1110.1A163 L164 M166 Y174 P183 T186A163-R172 CarbonylContact C-O 3.49Å; A163-R172 WeakPolarHBondContact CA-O 3.46Å; L164-R172 HydrophobicContact CB-CB 4.45Å; L164-R172 PolarHBondContact N-O 2.81Å; L164-R172 PolarHBondContact O-N 2.79Å; M166-R172 HydrophobicContact CE-CG 3.95Å; R172-Y174 HydrophobicContact CB-CD2 4.33Å; R172-Y174 HydrophobicContact CB-CE2 3.62Å; R172-P183 HydrophobicContact CB-CB 3.95Å; R172-P183 HydrophobicContact CB-CG 4.5Å; R172-T186 HydrophobicContact CG-CG2 3.98Å
173L97.8Very high95.5Very high1 Ų151.7 Ų51.71%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-106.1134178-51.5-178.8000110.4A163 I171 P183 Y184 N185 F187 F203 I210 S224A163-L173 HydrophobicContact CB-CD2 3.67Å; I171-L173 HydrophobicContact CG2-CD2 4.12Å; L173-P183 CarbonylContact O-C 3.6Å; L173-P183 WeakPolarHBondContact O-CA 3.19Å; L173-P183 VanDerWaalsContact O-CB 3.3Å; L173-P183 WeakPolarHBondContact O-CB 3.49Å; L173-Y184 HydrophobicContact CB-CD1 4.34Å; L173-Y184 HydrophobicContact CB-CE1 3.64Å; L173-Y184 HydrophobicContact CB-CE2 3.96Å; L173-Y184 VanDerWaalsContact CB-CZ 3.42Å; L173-Y184 WeakPolarHBondContact CB-OH 3.38Å; L173-Y184 HydrophobicContact CD1-CE2 4.06Å; L173-Y184 VanDerWaalsContact O-CD1 3.32Å; L173-Y184 WeakPolarHBondContact O-CD1 3.48Å; L173-Y184 PolarHBondContact O-N 2.8Å; L173-N185 HydrophobicContact CB-CB 4.32Å; L173-N185 HydrophobicContact CD1-CB 4.09Å; L173-N185 HydrophobicContact CG-CB 4.37Å; L173-N185 PolarHBondContact N-O 3.32Å; L173-F187 HydrophobicContact CD1-CE2 3.74Å; L173-F187 HydrophobicContact CD1-CZ 3.91Å; L173-F187 HydrophobicContact CD2-CE2 4.48Å; L173-F187 HydrophobicContact CG-CE2 4.05Å; L173-F203 HydrophobicContact CD2-CZ 4.48Å; L173-I210 HydrophobicContact CD2-CD1 3.94Å; L173-S224 WeakPolarHBondContact CD1-O 3.29Å
174Y98Very high95.5Very high4 Ų457.1 Ų57.12%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-124.2137.7-178.4-71.3-100.5000110.2I145 M161 F162 L164 R172 F179 G182 P183 Y184I145-Y174 HydrophobicContact CD1-CD1 3.8Å; I145-Y174 HydrophobicContact CD1-CE1 3.61Å; I145-Y174 HydrophobicContact CD1-CG 4.35Å; I145-Y174 HydrophobicContact CG1-CE1 4.45Å; I145-Y174 HydrophobicContact CG2-CE1 4.46Å; M161-Y174 CarbonylContact C-O 3.46Å; M161-Y174 WeakPolarHBondContact CA-O 3.44Å; M161-Y174 VanDerWaalsContact CB-O 3.24Å; M161-Y174 WeakPolarHBondContact CB-O 3.19Å; F162-Y174 HydrophobicContact CD2-CD2 4.29Å; F162-Y174 HydrophobicContact CD2-CG 4.44Å; F162-Y174 HydrophobicContact CE1-CG 4.39Å; F162-Y174 HydrophobicContact CE2-CD1 4.48Å; F162-Y174 AromaticContact CE2-CD2 3.71Å; F162-Y174 HydrophobicContact CE2-CD2 3.71Å; F162-Y174 AromaticContact CE2-CG 3.67Å; F162-Y174 HydrophobicContact CE2-CG 3.67Å; F162-Y174 HydrophobicContact CZ-CD1 4.2Å; F162-Y174 HydrophobicContact CZ-CD2 4.19Å; F162-Y174 AromaticContact CZ-CG 3.65Å; F162-Y174 HydrophobicContact CZ-CG 3.65Å; F162-Y174 PolarHBondContact N-O 2.96Å; F162-Y174 PolarHBondContact O-N 2.85Å; L164-Y174 HydrophobicContact CB-CE2 4.49Å; L164-Y174 HydrophobicContact CD1-CD2 4.09Å; L164-Y174 HydrophobicContact CD1-CE2 3.49Å; L164-Y174 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y174 HydrophobicContact CG-CD2 4.07Å; L164-Y174 HydrophobicContact CG-CE2 3.86Å; R172-Y174 HydrophobicContact CB-CD2 4.33Å; R172-Y174 HydrophobicContact CB-CE2 3.62Å; Y174-F179 HydrophobicContact CD1-CB 4.17Å; Y174-F179 WeakPolarHBondContact CD1-O 3.49Å; Y174-G182 VanDerWaalsContact CE1-C 3.42Å; Y174-P183 HydrophobicContact CD1-CB 4.48Å; Y174-P183 HydrophobicContact CD2-CB 4.24Å; Y174-P183 HydrophobicContact CE1-CB 4.15Å; Y174-P183 VanDerWaalsContact CE1-N 3.33Å; Y174-P183 HydrophobicContact CE2-CB 3.85Å; Y174-Y184 VanDerWaalsContact C-CE1 3.44Å
175D97.3Very high95.4Very high50 Ų5059.8 Ų59.827%0.26728%0.284SS..EExtended strand (participates in β ladder)trans-75.8128.8166.3-180-61.6000107.6R177 Y178 F179 Y184D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 2.8Å; D175-R177 WeakPolarHBondContact OD1-CA 3.4Å; D175-R177 WeakPolarHBondContact OD1-CB 3.36Å; D175-R177 PolarHBondContact OD1-N 2.97Å; D175-Y178 CarbonylContact O-C 3.41Å; D175-Y178 PolarHBondContact O-N 2.77Å; D175-Y178 WeakPolarHBondContact OD1-CD2 3.4Å; D175-Y178 PolarHBondContact OD1-N 2.98Å; D175-F179 WeakPolarHBondContact O-CA 3.49Å; D175-F179 WeakPolarHBondContact O-CB 3.36Å; D175-F179 PolarHBondContact O-N 2.68Å; D175-Y184 HydrophobicContact CB-CD1 4.28Å
176M96.1Very high95.3Very high31 Ų3162.9 Ų62.915%0.15330%0.303CS..THydrogen-bonded Turntrans-61.4-34.5-175.3-177.452.5-128.300112.3T121 L133 F155 I160 F162 F179T121-M176 HydrophobicContact CG2-CE 4.29Å; L133-M176 HydrophobicContact CD1-CE 3.3Å; L133-M176 HydrophobicContact CD1-SD 4.09Å; L133-M176 HydrophobicContact CD2-CE 3.42Å; L133-M176 VanDerWaalsContact CD2-CE 3.42Å; L133-M176 HydrophobicContact CG-CE 3.97Å; F155-M176 HydrophobicContact CE1-CG 4.24Å; F155-M176 HydrophobicContact CE1-SD 3.71Å; F155-M176 HydrophobicContact CZ-SD 4.2Å; I160-M176 WeakPolarHBondContact O-CB 3.24Å; I160-M176 PolarHBondContact O-N 2.9Å; F162-M176 HydrophobicContact CD1-SD 4.09Å; F162-M176 HydrophobicContact CE1-SD 4.06Å; M176-F179 HydrophobicContact CE-CD1 4.42Å; M176-F179 WeakPolarHBondContact O-CD1 3.23Å
177R95.2Very high95.3Very high190 Ų19063.6 Ų63.672%0.71731%0.306SS*.THydrogen-bonded Turntrans-81.2-22.5-178.3-55.3-180-159.2170.27.7112.8D175D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 2.8Å; D175-R177 WeakPolarHBondContact OD1-CA 3.4Å; D175-R177 WeakPolarHBondContact OD1-CB 3.36Å; D175-R177 PolarHBondContact OD1-N 2.97Å
178Y96.2Very high95.4Very high130 Ų13065.6 Ų65.651%0.5132%0.322SS..SBendtrans-124.723.6-174-56.7-68.2000113.5D175 E180 K181D175-Y178 CarbonylContact O-C 3.41Å; D175-Y178 PolarHBondContact O-N 2.77Å; D175-Y178 WeakPolarHBondContact OD1-CD2 3.4Å; D175-Y178 PolarHBondContact OD1-N 2.98Å; Y178-E180 PolarHBondContact O-N 3.44Å; Y178-K181 WeakPolarHBondContact O-CB 3.14Å; Y178-K181 PolarHBondContact O-N 2.92Å
179F96.3Very high95.5Very high20 Ų2060.3 Ų60.39%0.08829%0.288CS..G310 helixtrans-56.9-28.7-172.773-90.1000113.8L133 I145 F162 Y174 D175 M176 K181 G182L133-F179 HydrophobicContact CD2-CD1 4.49Å; L133-F179 HydrophobicContact CD2-CE1 3.72Å; L133-F179 HydrophobicContact CD2-CZ 4.11Å; I145-F179 HydrophobicContact CD1-CB 4.32Å; I145-F179 HydrophobicContact CD1-CD2 3.83Å; I145-F179 HydrophobicContact CD1-CG 4.5Å; I145-F179 HydrophobicContact CG1-CD2 3.7Å; I145-F179 HydrophobicContact CG1-CE2 4.26Å; F162-F179 HydrophobicContact CE1-CB 3.9Å; F162-F179 HydrophobicContact CZ-CB 3.85Å; Y174-F179 HydrophobicContact CD1-CB 4.17Å; Y174-F179 WeakPolarHBondContact CD1-O 3.49Å; D175-F179 WeakPolarHBondContact O-CA 3.49Å; D175-F179 WeakPolarHBondContact O-CB 3.36Å; D175-F179 PolarHBondContact O-N 2.68Å; M176-F179 HydrophobicContact CE-CD1 4.42Å; M176-F179 WeakPolarHBondContact O-CD1 3.23Å; F179-K181 PolarHBondContact O-N 2.96Å; F179-G182 PolarHBondContact O-N 2.92Å; F179-G182 VanDerWaalsContact O-N 3.09Å
180E94Very high95.7Very high158 Ų15865.2 Ų65.274%0.73832%0.319SS*.G310 helixtrans-64.6-22.3177.1-60.9-173.715500113.2Y178 G182Y178-E180 PolarHBondContact O-N 3.44Å; E180-G182 PolarHBondContact O-N 3.45Å
181K96.1Very high95.3Very high168 Ų16868.5 Ų68.573%0.7333%0.332SS*.G310 helixtrans-72.3-5.2174.7-63.1-172.1-179.4171.90112.9Y178 F179Y178-K181 WeakPolarHBondContact O-CB 3.14Å; Y178-K181 PolarHBondContact O-N 2.92Å; F179-K181 PolarHBondContact O-N 2.96Å
182G96.4Very high94.9Very high24 Ų2469.5 Ų69.525%0.24734%0.337CS..  trans91-179.2-17300000112.3Y174 F179 E180Y174-G182 VanDerWaalsContact CE1-C 3.42Å; F179-G182 PolarHBondContact O-N 2.92Å; F179-G182 VanDerWaalsContact O-N 3.09Å; E180-G182 PolarHBondContact O-N 3.45Å
183P97Very high94.4Very high46 Ų4669.1 Ų69.130%0.29934%0.34SS..  trans-69.5137.7-179.731.7-35.5000110.3R172 L173 Y174 N185R172-P183 HydrophobicContact CB-CB 3.95Å; R172-P183 HydrophobicContact CB-CG 4.5Å; L173-P183 CarbonylContact O-C 3.6Å; L173-P183 WeakPolarHBondContact O-CA 3.19Å; L173-P183 VanDerWaalsContact O-CB 3.3Å; L173-P183 WeakPolarHBondContact O-CB 3.49Å; Y174-P183 HydrophobicContact CD1-CB 4.48Å; Y174-P183 HydrophobicContact CD2-CB 4.24Å; Y174-P183 HydrophobicContact CE1-CB 4.15Å; Y174-P183 VanDerWaalsContact CE1-N 3.33Å; Y174-P183 HydrophobicContact CE2-CB 3.85Å; P183-N185 VanDerWaalsContact C-N 3.3Å
184Y96.3Very high93.9Very high114 Ų11473.7 Ų73.745%0.44738%0.378SS..SBendtrans-80.9-16.6172.468.4-94.9000111.9M161 L173 Y174 D175M161-Y184 HydrophobicContact CB-CE1 4.45Å; M161-Y184 VanDerWaalsContact CE-OH 3.27Å; M161-Y184 WeakPolarHBondContact CE-OH 3.46Å; M161-Y184 PolarHBondContact SD-OH 3.4Å; L173-Y184 HydrophobicContact CB-CD1 4.34Å; L173-Y184 HydrophobicContact CB-CE1 3.64Å; L173-Y184 HydrophobicContact CB-CE2 3.96Å; L173-Y184 VanDerWaalsContact CB-CZ 3.42Å; L173-Y184 WeakPolarHBondContact CB-OH 3.38Å; L173-Y184 HydrophobicContact CD1-CE2 4.06Å; L173-Y184 VanDerWaalsContact O-CD1 3.32Å; L173-Y184 WeakPolarHBondContact O-CD1 3.48Å; L173-Y184 PolarHBondContact O-N 2.8Å; Y174-Y184 VanDerWaalsContact C-CE1 3.44Å; D175-Y184 HydrophobicContact CB-CD1 4.28Å
185N96.7Very high93.4Very high56 Ų5680.1 Ų80.130%0.29941%0.413SS..EExtended strand (participates in β ladder)trans-146.9150.1172.9-151-11.9000111.4L173 P183 F187 Y225L173-N185 HydrophobicContact CB-CB 4.32Å; L173-N185 HydrophobicContact CD1-CB 4.09Å; L173-N185 HydrophobicContact CG-CB 4.37Å; L173-N185 PolarHBondContact N-O 3.32Å; P183-N185 VanDerWaalsContact C-N 3.3Å; N185-F187 HydrophobicContact CB-CE1 4.41Å; N185-F187 HydrophobicContact CB-CZ 4.27Å; N185-F187 VanDerWaalsContact CG-CE1 3.42Å; N185-F187 WeakPolarHBondContact ND2-CE1 3.42Å; N185-F187 VanDerWaalsContact ND2-CZ 3.32Å; N185-F187 WeakPolarHBondContact ND2-CZ 3.25Å; N185-F187 WeakPolarHBondContact OD1-CE1 3.4Å; N185-Y225 PolarHBondContact ND2-O 2.83Å; N185-Y225 VanDerWaalsContact ND2-O 3.14Å
186T96.7Very high93Very high66 Ų6678.5 Ų78.541%0.40540%0.404SS..EExtended strand (participates in β ladder)trans-143.5129.4176.9-64.80000110.1I171 R172I171-T186 CarbonylContact O-C 3.52Å; I171-T186 VanDerWaalsContact O-CA 3.3Å; I171-T186 WeakPolarHBondContact O-CA 3.2Å; R172-T186 HydrophobicContact CG-CG2 3.98Å
187F94.3Very high92.9Very high17 Ų1779.9 Ų79.98%0.07542%0.416CS..EExtended strand (participates in β ladder)trans-113.9153177.4-44.3-53.6000110.4S170 I171 L173 N185 Y225 Q226 G227S170-F187 WeakPolarHBondContact CA-O 2.99Å; I171-F187 HydrophobicContact CB-CB 4.35Å; I171-F187 HydrophobicContact CB-CD2 4.1Å; I171-F187 HydrophobicContact CG2-CD2 4.07Å; I171-F187 PolarHBondContact N-O 3.13Å; I171-F187 PolarHBondContact O-N 3.46Å; L173-F187 HydrophobicContact CD1-CE2 3.74Å; L173-F187 HydrophobicContact CD1-CZ 3.91Å; L173-F187 HydrophobicContact CD2-CE2 4.48Å; L173-F187 HydrophobicContact CG-CE2 4.05Å; N185-F187 HydrophobicContact CB-CE1 4.41Å; N185-F187 HydrophobicContact CB-CZ 4.27Å; N185-F187 VanDerWaalsContact CG-CE1 3.42Å; N185-F187 WeakPolarHBondContact ND2-CE1 3.42Å; N185-F187 VanDerWaalsContact ND2-CZ 3.32Å; N185-F187 WeakPolarHBondContact ND2-CZ 3.25Å; N185-F187 WeakPolarHBondContact OD1-CE1 3.4Å; F187-Y225 WeakPolarHBondContact CZ-O 3.48Å; F187-Q226 VanDerWaalsContact CE1-O 3.26Å; F187-Q226 WeakPolarHBondContact CE1-O 3.33Å; F187-Q226 VanDerWaalsContact CZ-C 3.48Å; F187-G227 VanDerWaalsContact CD1-CA 3.45Å; F187-G227 VanDerWaalsContact CD2-CA 3.46Å
188T93.8Very high93Very high101 Ų10171.3 Ų71.362%0.6239%0.385SS*.EExtended strand (participates in β ladder)trans-120.9134.2170.3-570000108P190T188-P190 VanDerWaalsContact C-CD 3.44Å; T188-P190 WeakPolarHBondContact O-CD 3.37Å
189L92.3Very high93Very high5 Ų566 Ų663%0.02637%0.367CS..  trans-107.980.5179-60.7177.4000110.5G169 I171 Q191 M192 L212 V222G169-L189 WeakPolarHBondContact O-CB 3.05Å; G169-L189 PolarHBondContact O-N 3.01Å; I171-L189 HydrophobicContact CD1-CD1 3.73Å; I171-L189 HydrophobicContact CD1-CG 4.35Å; I171-L189 HydrophobicContact CG1-CD1 4.19Å; L189-Q191 PolarHBondContact O-N 2.7Å; L189-M192 HydrophobicContact CB-CG 3.83Å; L189-M192 HydrophobicContact CB-SD 4.04Å; L189-M192 HydrophobicContact CD1-CG 4.26Å; L189-M192 HydrophobicContact CD1-SD 3.72Å; L189-M192 PolarHBondContact O-N 2.89Å; L189-M192 VanDerWaalsContact O-N 3.1Å; L189-L212 HydrophobicContact CD1-CD1 3.42Å; L189-L212 VanDerWaalsContact CD1-CD1 3.42Å; L189-V222 HydrophobicContact CD1-CG2 3.86Å; L189-V222 HydrophobicContact CD2-CG1 4.06Å; L189-V222 HydrophobicContact CD2-CG2 3.67Å; L189-V222 HydrophobicContact CG-CG2 4.42Å
190P89.8Confident93Very high105 Ų10565.2 Ų65.268%0.68237%0.365SS*.THydrogen-bonded Turntrans-62.9-14.5179.627.5-36.4000113.6T188 M192T188-P190 VanDerWaalsContact C-CD 3.44Å; T188-P190 WeakPolarHBondContact O-CD 3.37Å; P190-M192 VanDerWaalsContact C-N 3.3Å
191Q86.4Confident93.2Very high89 Ų8958 Ų5842%0.41633%0.332SS..THydrogen-bonded Turntrans-77.4-14.2177.5-5684.4-9.900113.3L189 F229L189-Q191 PolarHBondContact O-N 2.7Å; Q191-F229 HydrophobicContact CB-CD2 4.27Å; Q191-F229 HydrophobicContact CB-CE2 4.12Å; Q191-F229 HydrophobicContact CB-CZ 4.43Å; Q191-F229 HydrophobicContact CG-CD1 4.36Å; Q191-F229 HydrophobicContact CG-CD2 4.25Å; Q191-F229 HydrophobicContact CG-CE2 4.43Å; Q191-F229 HydrophobicContact CG-CG 4.21Å
192M89.6Confident93.3Very high21 Ų2151.4 Ų51.410%0.10330%0.303CS..SBendtrans-69.3136.4177.7-72.9-168.761.700110.7L189 P190 A194 I198 L212 T214 Y220L189-M192 HydrophobicContact CB-CG 3.83Å; L189-M192 HydrophobicContact CB-SD 4.04Å; L189-M192 HydrophobicContact CD1-CG 4.26Å; L189-M192 HydrophobicContact CD1-SD 3.72Å; L189-M192 PolarHBondContact O-N 2.89Å; L189-M192 VanDerWaalsContact O-N 3.1Å; P190-M192 VanDerWaalsContact C-N 3.3Å; M192-A194 PolarHBondContact O-N 3Å; M192-I198 HydrophobicContact CE-CD1 3.89Å; M192-I198 HydrophobicContact CE-CG1 3.4Å; M192-I198 VanDerWaalsContact CE-CG1 3.4Å; M192-I198 HydrophobicContact SD-CD1 4.32Å; M192-I198 HydrophobicContact SD-CG1 4.33Å; M192-L212 HydrophobicContact SD-CD1 3.94Å; M192-T214 HydrophobicContact CE-CG2 4.22Å; M192-Y220 HydrophobicContact CB-CE2 4.45Å; M192-Y220 HydrophobicContact CE-CD2 4.18Å; M192-Y220 HydrophobicContact CE-CE2 4.05Å; M192-Y220 HydrophobicContact CG-CD2 3.96Å; M192-Y220 HydrophobicContact CG-CE1 4.43Å; M192-Y220 HydrophobicContact CG-CE2 3.81Å; M192-Y220 HydrophobicContact CG-CG 4.35Å; M192-Y220 HydrophobicContact SD-CD2 4.32Å; M192-Y220 HydrophobicContact SD-CE2 4.5Å
193D86Confident93.4Very high55 Ų5551.1 Ų51.129%0.29430%0.295SS..  trans-66.6129.6176.9-165.7-38.7000109.5N195 I196 K218 Y220D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 VanDerWaalsContact O-N 3.13Å; D193-N195 PolarHBondContact OD1-N 3.19Å; D193-N195 PolarHBondContact OD1-ND2 2.83Å; D193-I196 HydrophobicContact CB-CD1 3.68Å; D193-I196 HydrophobicContact CB-CG1 3.88Å; D193-I196 HydrophobicContact CB-CG2 4.14Å; D193-I196 WeakPolarHBondContact O-CG1 3.32Å; D193-I196 PolarHBondContact O-N 3.25Å; D193-K218 IonicContact OD2-NZ 2.73Å; D193-Y220 PolarHBondContact N-OH 2.94Å
194A87.1Confident93.4Very high98 Ų9849 Ų4981%0.8128%0.281SS*.THydrogen-bonded Turntrans-67-15.1-178.300000113.2M192M192-A194 PolarHBondContact O-N 3Å
195N87.9Confident93.4Very high139 Ų13946.3 Ų46.374%0.74328%0.278SS*.THydrogen-bonded Turntrans-96.6-0.8-178-58.8-56.9000114D193D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 VanDerWaalsContact O-N 3.13Å; D193-N195 PolarHBondContact OD1-N 3.19Å; D193-N195 PolarHBondContact OD1-ND2 2.83Å
196I89.7Confident93.4Very high16 Ų1647.6 Ų47.68%0.08229%0.285CS..  trans-107.6156.7175.871.2-170.5000109.7D193 T214 N215 K218 Y220D193-I196 HydrophobicContact CB-CD1 3.68Å; D193-I196 HydrophobicContact CB-CG1 3.88Å; D193-I196 HydrophobicContact CB-CG2 4.14Å; D193-I196 WeakPolarHBondContact O-CG1 3.32Å; D193-I196 PolarHBondContact O-N 3.25Å; I196-T214 HydrophobicContact CD1-CG2 3.84Å; I196-T214 HydrophobicContact CG1-CG2 4.24Å; I196-N215 WeakPolarHBondContact CA-OD1 3.22Å; I196-K218 HydrophobicContact CD1-CB 4.45Å; I196-Y220 HydrophobicContact CD1-CE2 3.62Å; I196-Y220 WeakPolarHBondContact CD1-OH 3.48Å
197S93.6Very high93.4Very high59 Ų5944.9 Ų44.941%0.41327%0.27SS..  trans-118.9139.3175.9-53.70000109.9E167 A199 T214 N215E167-S197 WeakPolarHBondContact OE1-CA 3.2Å; S197-A199 PolarHBondContact O-N 3.04Å; S197-T214 CarbonylContact O-C 3.06Å; S197-T214 VanDerWaalsContact O-CA 3.26Å; S197-T214 WeakPolarHBondContact O-CA 3.46Å; S197-T214 WeakPolarHBondContact O-CB 3.11Å; S197-N215 PolarHBondContact N-OD1 3.19Å; S197-N215 PolarHBondContact O-N 2.82Å; S197-N215 PolarHBondContact O-OD1 2.86Å
198I96.3Very high93.6Very high11 Ų1149.3 Ų49.36%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-61.9120.5171.2-60.2148.1000108.4M152 A165 E167 M192 G200 L212M152-I198 HydrophobicContact CB-CG2 4.05Å; M152-I198 HydrophobicContact CG-CB 4.38Å; M152-I198 HydrophobicContact CG-CG2 3.83Å; A165-I198 HydrophobicContact CB-CD1 3.92Å; A165-I198 HydrophobicContact CB-CG2 4.39Å; E167-I198 VanDerWaalsContact OE1-CD1 3.3Å; E167-I198 WeakPolarHBondContact OE1-CD1 3.49Å; E167-I198 WeakPolarHBondContact OE1-CG1 3.46Å; E167-I198 PolarHBondContact OE1-N 2.67Å; M192-I198 HydrophobicContact CE-CD1 3.89Å; M192-I198 HydrophobicContact CE-CG1 3.4Å; M192-I198 VanDerWaalsContact CE-CG1 3.4Å; M192-I198 HydrophobicContact SD-CD1 4.32Å; M192-I198 HydrophobicContact SD-CG1 4.33Å; I198-G200 WeakPolarHBondContact CG2-O 3.19Å; I198-L212 HydrophobicContact CG2-CD2 4.19Å
199A96.3Very high93.7Very high17 Ų1745.2 Ų45.214%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-94.4-19.2177.700000111.9S197 Y213 S243S197-A199 PolarHBondContact O-N 3.04Å; A199-Y213 HydrophobicContact CB-CD2 3.71Å; A199-Y213 HydrophobicContact CB-CE2 3.85Å; A199-Y213 PolarHBondContact N-O 2.87Å; A199-Y213 WeakPolarHBondContact O-CE2 3.09Å; A199-S243 WeakPolarHBondContact CB-OG 3.47Å
200G97.2Very high94Very high4 Ų445 Ų454%0.04126%0.263CS..EExtended strand (participates in β ladder)trans178.6175.5167.100000114.1I198 Y213I198-G200 WeakPolarHBondContact CG2-O 3.19Å; G200-Y213 VanDerWaalsContact N-CE2 3.32Å; G200-Y213 PolarHBondContact N-O 3.22Å; G200-Y213 PolarHBondContact O-N 2.88Å
201L97.8Very high94.4Very high8 Ų840 Ų404%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-134.7138.4-173.4-176.7152.9000109.2M152 A163 A165 F203 I210 L211 L212M152-L201 HydrophobicContact CB-CB 4.37Å; A163-L201 HydrophobicContact CB-CD1 3.8Å; A163-L201 HydrophobicContact CB-CD2 3.87Å; A165-L201 HydrophobicContact CB-CD1 3.58Å; L201-F203 HydrophobicContact CD2-CD2 4.26Å; L201-F203 HydrophobicContact CD2-CE2 4.17Å; L201-I210 HydrophobicContact CD1-CG2 3.95Å; L201-I210 HydrophobicContact CD2-CG2 4.28Å; L201-I210 HydrophobicContact CG-CG2 3.85Å; L201-L211 CarbonylContact C-O 3.48Å; L201-L211 WeakPolarHBondContact CA-O 3.44Å; L201-L212 HydrophobicContact CB-CD2 4.01Å; L201-L212 HydrophobicContact CD1-CD2 3.75Å; L201-L212 HydrophobicContact CG-CD2 3.88Å
202K98Very high94.9Very high28 Ų2835.8 Ų35.812%0.12221%0.21CC..EExtended strand (participates in β ladder)trans-142.1149.8169.7-68.2179-179.9159.80111I210 L211 E245 A246 S247K202-I210 WeakPolarHBondContact O-CA 3.34Å; K202-L211 HydrophobicContact CB-CB 4.48Å; K202-L211 PolarHBondContact N-O 3.49Å; K202-L211 PolarHBondContact O-N 2.86Å; K202-E245 IonicContact NZ-OE1 2.83Å; K202-E245 PolarHBondContact NZ-OE1 2.78Å; K202-A246 PolarHBondContact NZ-O 3.08Å; K202-S247 PolarHBondContact NZ-OG 2.78Å
203F98.2Very high95.3Very high18 Ų1835.8 Ų35.88%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-86152.7163.7-74.5-100.1000110.6F155 D156 P157 M161 A163 L173 L201 V209 I210 F248F155-F203 WeakPolarHBondContact O-CD2 3.24Å; D156-F203 HydrophobicContact CB-CD1 4.27Å; D156-F203 HydrophobicContact CB-CD2 4.38Å; D156-F203 HydrophobicContact CB-CE1 4.23Å; D156-F203 HydrophobicContact CB-CE2 4.35Å; D156-F203 HydrophobicContact CB-CG 4.32Å; D156-F203 HydrophobicContact CB-CZ 4.27Å; P157-F203 HydrophobicContact CG-CB 4.44Å; M161-F203 HydrophobicContact SD-CE1 4.46Å; A163-F203 HydrophobicContact CB-CE2 3.58Å; A163-F203 HydrophobicContact CB-CZ 3.59Å; L173-F203 HydrophobicContact CD2-CZ 4.48Å; L201-F203 HydrophobicContact CD2-CD2 4.26Å; L201-F203 HydrophobicContact CD2-CE2 4.17Å; F203-V209 CarbonylContact C-O 3.57Å; F203-V209 WeakPolarHBondContact CA-O 3.43Å; F203-I210 HydrophobicContact CD1-CG1 3.95Å; F203-I210 HydrophobicContact CE1-CD1 4.01Å; F203-I210 HydrophobicContact CE1-CG1 3.75Å; F203-I210 HydrophobicContact CG-CG1 4.49Å; F203-I210 HydrophobicContact CZ-CD1 4.08Å; F203-I210 HydrophobicContact CZ-CG1 4.12Å; F203-F248 WeakPolarHBondContact O-CD2 3.19Å
204S97.9Very high95.7Very high1 Ų133.3 Ų33.31%0.00720%0.196CC..  trans-63.7156.1163.356.90000110.2P157 D206 G207 K208 V209 F248P157-S204 WeakPolarHBondContact CG-O 3.48Å; S204-D206 WeakPolarHBondContact CB-OD1 3.39Å; S204-D206 PolarHBondContact O-N 2.83Å; S204-D206 VanDerWaalsContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD1 3.31Å; S204-G207 WeakPolarHBondContact O-CA 3.29Å; S204-G207 PolarHBondContact O-N 3.05Å; S204-K208 PolarHBondContact OG-N 3.19Å; S204-K208 VanDerWaalsContact OG-N 3.16Å; S204-V209 PolarHBondContact N-O 2.85Å; S204-V209 PolarHBondContact OG-N 2.58Å; S204-V209 PolarHBondContact OG-O 3.28Å; S204-F248 VanDerWaalsContact CA-CE2 3.49Å; S204-F248 VanDerWaalsContact N-CE2 3.33Å
205P96.4Very high96.1Very high59 Ų5930.2 Ų30.238%0.38317%0.166SC..THydrogen-bonded Turntrans-56.8-28.2179.4-27.335.8000114.4P157 G207 F248 T249 P250P157-P205 WeakPolarHBondContact CB-O 3.5Å; P157-P205 WeakPolarHBondContact CG-O 3.44Å; P205-G207 VanDerWaalsContact C-N 3.34Å; P205-F248 HydrophobicContact CG-CB 4.47Å; P205-T249 WeakPolarHBondContact CG-O 3.22Å; P205-P250 WeakPolarHBondContact CB-O 3.17Å; P205-P250 WeakPolarHBondContact CG-O 3.26Å
206D96.7Very high96.5Very high83 Ų8323.7 Ų23.744%0.44413%0.132SC..THydrogen-bonded Turntrans-90.43.7175.874.8-17.1000114S204 K208S204-D206 WeakPolarHBondContact CB-OD1 3.39Å; S204-D206 PolarHBondContact O-N 2.83Å; S204-D206 VanDerWaalsContact O-N 3.13Å; S204-D206 PolarHBondContact OG-OD1 3.31Å; D206-K208 HydrophobicContact CB-CG 4.46Å; D206-K208 PolarHBondContact O-N 3.48Å; D206-K208 PolarHBondContact OD1-N 3.16Å; D206-K208 WeakPolarHBondContact OD2-CD 3.38Å; D206-K208 WeakPolarHBondContact OD2-CG 3.4Å; D206-K208 IonicContact OD2-NZ 3.49Å; D206-K208 PolarHBondContact OD2-NZ 2.77Å
207G97Very high96.7Very high8 Ų825.3 Ų25.38%0.08215%0.145CC..SBendtrans72.31.3177.200000115.3S204 P205 S224S204-G207 WeakPolarHBondContact O-CA 3.29Å; S204-G207 PolarHBondContact O-N 3.05Å; P205-G207 VanDerWaalsContact C-N 3.34Å; G207-S224 VanDerWaalsContact O-CB 3.26Å; G207-S224 WeakPolarHBondContact O-CB 3.31Å; G207-S224 PolarHBondContact O-OG 2.94Å
208K96.9Very high96.8Very high110 Ų11026 Ų2648%0.47814%0.14SC..SBendtrans-85.8-19.9-172-56-162.6-166.298.90115.1S204 D206 S224 Y225S204-K208 PolarHBondContact OG-N 3.19Å; S204-K208 VanDerWaalsContact OG-N 3.16Å; D206-K208 HydrophobicContact CB-CG 4.46Å; D206-K208 PolarHBondContact O-N 3.48Å; D206-K208 PolarHBondContact OD1-N 3.16Å; D206-K208 WeakPolarHBondContact OD2-CD 3.38Å; D206-K208 WeakPolarHBondContact OD2-CG 3.4Å; D206-K208 IonicContact OD2-NZ 3.49Å; D206-K208 PolarHBondContact OD2-NZ 2.77Å; K208-S224 VanDerWaalsContact CA-OG 3.32Å; K208-S224 WeakPolarHBondContact CA-OG 3.32Å; K208-S224 PolarHBondContact O-N 3.26Å; K208-S224 PolarHBondContact O-OG 3.41Å; K208-S224 VanDerWaalsContact O-OG 3.13Å; K208-Y225 HydrophobicContact CB-CE2 4.26Å; K208-Y225 HydrophobicContact CG-CE2 4.08Å
209V97.7Very high96.9Very high16 Ų1625.5 Ų25.510%0.09714%0.137CC..EExtended strand (participates in β ladder)trans-123.8134.1-175.7-1690000109.7F203 S204 T221 V222 F230 F248 T269F203-V209 CarbonylContact C-O 3.57Å; F203-V209 WeakPolarHBondContact CA-O 3.43Å; S204-V209 PolarHBondContact N-O 2.85Å; S204-V209 PolarHBondContact OG-N 2.58Å; S204-V209 PolarHBondContact OG-O 3.28Å; V209-T221 HydrophobicContact CG1-CG2 4.29Å; V209-V222 CarbonylContact C-O 3.5Å; V209-V222 WeakPolarHBondContact CA-O 3.23Å; V209-F230 HydrophobicContact CG1-CD2 3.99Å; V209-F230 HydrophobicContact CG1-CE2 4.19Å; V209-F230 HydrophobicContact CG2-CD2 4.44Å; V209-F230 HydrophobicContact CG2-CE2 3.99Å; V209-F248 HydrophobicContact CB-CZ 4.15Å; V209-F248 HydrophobicContact CG1-CZ 4.09Å; V209-T269 HydrophobicContact CG1-CG2 4.41Å; V209-T269 HydrophobicContact CG2-CG2 4.31Å
210I98Very high96.9Very high0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-96.9128.1165.3-65.8172.5000108.5A163 I171 L173 L201 K202 F203 L212 T221 V222A163-I210 HydrophobicContact CB-CD1 4.09Å; I171-I210 HydrophobicContact CD1-CG2 4.26Å; I171-I210 HydrophobicContact CG2-CD1 4.01Å; L173-I210 HydrophobicContact CD2-CD1 3.94Å; L201-I210 HydrophobicContact CD1-CG2 3.95Å; L201-I210 HydrophobicContact CD2-CG2 4.28Å; L201-I210 HydrophobicContact CG-CG2 3.85Å; K202-I210 WeakPolarHBondContact O-CA 3.34Å; F203-I210 HydrophobicContact CD1-CG1 3.95Å; F203-I210 HydrophobicContact CE1-CD1 4.01Å; F203-I210 HydrophobicContact CE1-CG1 3.75Å; F203-I210 HydrophobicContact CG-CG1 4.49Å; F203-I210 HydrophobicContact CZ-CD1 4.08Å; F203-I210 HydrophobicContact CZ-CG1 4.12Å; I210-L212 HydrophobicContact CG2-CD2 4.09Å; I210-L212 HydrophobicContact CG2-CG 4.37Å; I210-T221 CarbonylContact O-C 3.55Å; I210-T221 WeakPolarHBondContact O-CA 3.41Å; I210-V222 PolarHBondContact N-O 3.41Å; I210-V222 PolarHBondContact O-N 2.77Å
211L98.2Very high96.9Very high0 Ų024.5 Ų24.50%013%0.129CC..EExtended strand (participates in β ladder)trans-100.8126172.5-179.367.7000109.7L201 K202 I219 T221 A246 F248 V255L201-L211 CarbonylContact C-O 3.48Å; L201-L211 WeakPolarHBondContact CA-O 3.44Å; K202-L211 HydrophobicContact CB-CB 4.48Å; K202-L211 PolarHBondContact N-O 3.49Å; K202-L211 PolarHBondContact O-N 2.86Å; L211-I219 HydrophobicContact CD1-CG2 3.31Å; L211-I219 HydrophobicContact CG-CG2 4.26Å; L211-T221 HydrophobicContact CD1-CG2 3.88Å; L211-A246 HydrophobicContact CD2-CB 3.96Å; L211-F248 HydrophobicContact CB-CD2 4.38Å; L211-F248 HydrophobicContact CB-CE2 3.43Å; L211-F248 VanDerWaalsContact CB-CE2 3.43Å; L211-F248 HydrophobicContact CB-CZ 3.63Å; L211-F248 HydrophobicContact CD2-CD2 4.18Å; L211-F248 HydrophobicContact CD2-CE2 3.99Å; L211-F248 HydrophobicContact CD2-CZ 4.36Å; L211-F248 HydrophobicContact CG-CE2 4.29Å; L211-F248 HydrophobicContact CG-CZ 4.41Å; L211-V255 HydrophobicContact CD1-CG1 3.9Å; L211-V255 HydrophobicContact CD1-CG2 3.99Å; L211-V255 HydrophobicContact CD2-CG1 4.12Å
212L97.2Very high96.8Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-114.9111.4170.7-59.1179.8000109.2A165 I171 L189 M192 I198 L201 I210 I219 Y220A165-L212 HydrophobicContact CB-CD2 3.76Å; I171-L212 HydrophobicContact CD1-CD1 4Å; I171-L212 HydrophobicContact CG1-CD1 4.33Å; L189-L212 HydrophobicContact CD1-CD1 3.42Å; L189-L212 VanDerWaalsContact CD1-CD1 3.42Å; M192-L212 HydrophobicContact SD-CD1 3.94Å; I198-L212 HydrophobicContact CG2-CD2 4.19Å; L201-L212 HydrophobicContact CB-CD2 4.01Å; L201-L212 HydrophobicContact CD1-CD2 3.75Å; L201-L212 HydrophobicContact CG-CD2 3.88Å; I210-L212 HydrophobicContact CG2-CD2 4.09Å; I210-L212 HydrophobicContact CG2-CG 4.37Å; L212-I219 CarbonylContact O-C 3.58Å; L212-I219 WeakPolarHBondContact O-CA 3.47Å; L212-I219 WeakPolarHBondContact O-CG2 3.18Å; L212-Y220 PolarHBondContact N-O 2.99Å; L212-Y220 PolarHBondContact O-N 3.26Å
213Y96.8Very high96.7Very high22 Ų2224.1 Ų24.19%0.08613%0.128CC..EExtended strand (participates in β ladder)trans-95.4143.2167.457.9-90.4000109.5A199 G200 I244 E245 A246A199-Y213 HydrophobicContact CB-CD2 3.71Å; A199-Y213 HydrophobicContact CB-CE2 3.85Å; A199-Y213 PolarHBondContact N-O 2.87Å; A199-Y213 WeakPolarHBondContact O-CE2 3.09Å; G200-Y213 VanDerWaalsContact N-CE2 3.32Å; G200-Y213 PolarHBondContact N-O 3.22Å; G200-Y213 PolarHBondContact O-N 2.88Å; Y213-I244 WeakPolarHBondContact CD2-O 3.38Å; Y213-E245 HydrophobicContact CE1-CG 4.28Å; Y213-E245 HydrophobicContact CE2-CB 4.4Å; Y213-E245 HydrophobicContact CE2-CG 4.48Å; Y213-A246 HydrophobicContact CD1-CB 4.21Å; Y213-A246 HydrophobicContact CG-CB 4.25Å
214T95.8Very high96.6Very high2 Ų223.3 Ų23.31%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-117.2168.6-173.172.20000110.7M192 I196 S197 G216 K218 Y220M192-T214 HydrophobicContact CE-CG2 4.22Å; I196-T214 HydrophobicContact CD1-CG2 3.84Å; I196-T214 HydrophobicContact CG1-CG2 4.24Å; S197-T214 CarbonylContact O-C 3.06Å; S197-T214 VanDerWaalsContact O-CA 3.26Å; S197-T214 WeakPolarHBondContact O-CA 3.46Å; S197-T214 WeakPolarHBondContact O-CB 3.11Å; T214-G216 PolarHBondContact O-N 2.58Å; T214-G216 PolarHBondContact OG1-N 3.18Å; T214-K218 PolarHBondContact OG1-O 2.68Å; T214-Y220 HydrophobicContact CG2-CD2 3.96Å; T214-Y220 HydrophobicContact CG2-CE2 3.8Å
215N95.5Very high96.3Very high34 Ų3429.3 Ų29.318%0.18215%0.148CC..SBendtrans-71.8-6.3166.671.9-9.1000112.6I196 S197 N238 N241 L242I196-N215 WeakPolarHBondContact CA-OD1 3.22Å; S197-N215 PolarHBondContact N-OD1 3.19Å; S197-N215 PolarHBondContact O-N 2.82Å; S197-N215 PolarHBondContact O-OD1 2.86Å; N215-N238 PolarHBondContact O-ND2 3.15Å; N215-N241 CarbonylContact O-C 3.48Å; N215-N241 WeakPolarHBondContact O-CA 3.29Å; N215-L242 WeakPolarHBondContact CA-O 3.48Å; N215-L242 PolarHBondContact O-N 2.83Å
216G95Very high96.1Very high2 Ų232.5 Ų32.52%0.02116%0.158CC..SBendtrans-90.4-166.4176.200000113.5T214 K218 N238T214-G216 PolarHBondContact O-N 2.58Å; T214-G216 PolarHBondContact OG1-N 3.18Å; G216-K218 VanDerWaalsContact C-N 3.27Å; G216-K218 PolarHBondContact O-N 2.73Å; G216-N238 PolarHBondContact O-ND2 3.23Å
217S94.5Very high95.8Very high50 Ų5029.1 Ų29.135%0.3514%0.143SC..SBendtrans-93.327.9174.9-56.10000112.6H236 N238S217-H236 PolarHBondContact O-CE1 2.84Å; S217-N238 WeakPolarHBondContact OG-CB 3.42Å; S217-N238 PolarHBondContact OG-N 3.46Å; S217-N238 VanDerWaalsContact OG-N 3.15Å
218K95.5Very high95.6Very high72 Ų7234 Ų3431%0.31316%0.163SC..  trans-132.9137.7-179-68.7178.2-178.1164.80110.3D193 I196 T214 G216 Y220 T232 T234D193-K218 IonicContact OD2-NZ 2.73Å; I196-K218 HydrophobicContact CD1-CB 4.45Å; T214-K218 PolarHBondContact OG1-O 2.68Å; G216-K218 VanDerWaalsContact C-N 3.27Å; G216-K218 PolarHBondContact O-N 2.73Å; K218-Y220 HydrophobicContact CB-CE1 4.48Å; K218-Y220 HydrophobicContact CB-CE2 4.13Å; K218-Y220 WeakPolarHBondContact CD-OH 3.42Å; K218-T232 HydrophobicContact CB-CG2 3.88Å; K218-T232 HydrophobicContact CD-CG2 4.01Å; K218-T232 HydrophobicContact CG-CG2 3.83Å; K218-T234 HydrophobicContact CG-CG2 4.2Å
219I97.2Very high95.4Very high1 Ų131.6 Ų31.61%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-121.9139.9171.3-64.5157.6000106.9L211 L212 T232 L233 A246 W267L211-I219 HydrophobicContact CD1-CG2 3.31Å; L211-I219 HydrophobicContact CG-CG2 4.26Å; L212-I219 CarbonylContact O-C 3.58Å; L212-I219 WeakPolarHBondContact O-CA 3.47Å; L212-I219 WeakPolarHBondContact O-CG2 3.18Å; I219-T232 CarbonylContact O-C 3.58Å; I219-T232 WeakPolarHBondContact O-CA 3.4Å; I219-L233 HydrophobicContact CB-CB 4.14Å; I219-L233 HydrophobicContact CB-CD1 4.42Å; I219-L233 HydrophobicContact CG2-CD1 4.02Å; I219-L233 HydrophobicContact CG2-CG 4.47Å; I219-L233 PolarHBondContact N-O 2.85Å; I219-L233 VanDerWaalsContact N-O 3.1Å; I219-L233 PolarHBondContact O-N 3.36Å; I219-A246 HydrophobicContact CD1-CB 3.79Å; I219-A246 HydrophobicContact CG1-CB 4.33Å; I219-A246 HydrophobicContact CG2-CB 4.35Å; I219-W267 HydrophobicContact CD1-CH2 4.19Å; I219-W267 HydrophobicContact CD1-CZ3 4.2Å
220Y96.7Very high95.2Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-116.8143.6-176.6-55.3-78.8000111.1M192 D193 I196 L212 T214 K218 F229 K231 T232M192-Y220 HydrophobicContact CB-CE2 4.45Å; M192-Y220 HydrophobicContact CE-CD2 4.18Å; M192-Y220 HydrophobicContact CE-CE2 4.05Å; M192-Y220 HydrophobicContact CG-CD2 3.96Å; M192-Y220 HydrophobicContact CG-CE1 4.43Å; M192-Y220 HydrophobicContact CG-CE2 3.81Å; M192-Y220 HydrophobicContact CG-CG 4.35Å; M192-Y220 HydrophobicContact SD-CD2 4.32Å; M192-Y220 HydrophobicContact SD-CE2 4.5Å; D193-Y220 PolarHBondContact N-OH 2.94Å; I196-Y220 HydrophobicContact CD1-CE2 3.62Å; I196-Y220 WeakPolarHBondContact CD1-OH 3.48Å; L212-Y220 PolarHBondContact N-O 2.99Å; L212-Y220 PolarHBondContact O-N 3.26Å; T214-Y220 HydrophobicContact CG2-CD2 3.96Å; T214-Y220 HydrophobicContact CG2-CE2 3.8Å; K218-Y220 HydrophobicContact CB-CE1 4.48Å; K218-Y220 HydrophobicContact CB-CE2 4.13Å; K218-Y220 WeakPolarHBondContact CD-OH 3.42Å; Y220-F229 AromaticContact CD1-CE2 3.75Å; Y220-F229 HydrophobicContact CD1-CE2 3.75Å; Y220-F229 HydrophobicContact CD1-CZ 4.3Å; Y220-F229 HydrophobicContact CE1-CE2 4.49Å; Y220-K231 WeakPolarHBondContact CA-O 3.49Å; Y220-T232 HydrophobicContact CD1-CG2 4.02Å; Y220-T232 HydrophobicContact CE1-CG2 3.74Å; Y220-T232 WeakPolarHBondContact CE1-OG1 3.49Å
221T97.1Very high95Very high0 Ų038.3 Ų38.30%018%0.181CC..EExtended strand (participates in β ladder)trans-122138.6173.351.90000109.5V209 I210 L211 F230 K231 L233V209-T221 HydrophobicContact CG1-CG2 4.29Å; I210-T221 CarbonylContact O-C 3.55Å; I210-T221 WeakPolarHBondContact O-CA 3.41Å; L211-T221 HydrophobicContact CD1-CG2 3.88Å; T221-F230 WeakPolarHBondContact O-CB 3.47Å; T221-F230 PolarHBondContact O-N 2.89Å; T221-K231 PolarHBondContact N-O 3.26Å; T221-K231 PolarHBondContact O-N 3.17Å; T221-K231 WeakPolarHBondContact OG1-CB 3.48Å; T221-K231 PolarHBondContact OG1-N 3.18Å; T221-K231 VanDerWaalsContact OG1-N 3.11Å; T221-K231 PolarHBondContact OG1-O 3.02Å; T221-L233 HydrophobicContact CG2-CD1 4.34Å
222V96.5Very high94.9Very high0 Ų040.7 Ų40.70%020%0.195CC..EExtended strand (participates in β ladder)trans-141.7142.6-172.5-173.30000109.3I171 L189 V209 I210 S224 G227 H228I171-V222 HydrophobicContact CD1-CB 4.42Å; I171-V222 HydrophobicContact CD1-CG1 4.42Å; I171-V222 HydrophobicContact CD1-CG2 4.26Å; L189-V222 HydrophobicContact CD1-CG2 3.86Å; L189-V222 HydrophobicContact CD2-CG1 4.06Å; L189-V222 HydrophobicContact CD2-CG2 3.67Å; L189-V222 HydrophobicContact CG-CG2 4.42Å; V209-V222 CarbonylContact C-O 3.5Å; V209-V222 WeakPolarHBondContact CA-O 3.23Å; I210-V222 PolarHBondContact N-O 3.41Å; I210-V222 PolarHBondContact O-N 2.77Å; V222-S224 PolarHBondContact O-N 2.94Å; V222-G227 VanDerWaalsContact CG1-C 3.48Å; V222-G227 WeakPolarHBondContact CG1-O 3.32Å; V222-H228 WeakPolarHBondContact CA-O 3.37Å
223D95.9Very high94.9Very high28 Ų2840.7 Ų40.715%0.1520%0.195CC..EExtended strand (participates in β ladder)trans-58.7125.5169-172.8-82.7000110.7Y225 Q226 G227 H228 F230D223-Y225 VanDerWaalsContact C-N 3.3Å; D223-Y225 PolarHBondContact O-N 3.35Å; D223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; D223-Y225 WeakPolarHBondContact OD1-CB 3.43Å; D223-Y225 PolarHBondContact OD1-N 3.49Å; D223-Q226 PolarHBondContact OD1-N 3.42Å; D223-G227 VanDerWaalsContact O-CA 3.27Å; D223-G227 WeakPolarHBondContact O-CA 3.46Å; D223-G227 PolarHBondContact O-N 2.85Å; D223-H228 HydrophobicContact CB-CB 4Å; D223-H228 PolarHBondContact N-O 2.89Å; D223-F230 HydrophobicContact CB-CE1 3.77Å; D223-F230 HydrophobicContact CB-CE2 3.98Å; D223-F230 HydrophobicContact CB-CZ 3.39Å; D223-F230 WeakPolarHBondContact OD2-CZ 3.37Å
224S95.5Very high94.9Very high1 Ų143.2 Ų43.21%0.00721%0.213CC..THydrogen-bonded Turntrans-74.2-17.6-175.267.30000114.1L173 G207 K208 V222L173-S224 WeakPolarHBondContact CD1-O 3.29Å; G207-S224 VanDerWaalsContact O-CB 3.26Å; G207-S224 WeakPolarHBondContact O-CB 3.31Å; G207-S224 PolarHBondContact O-OG 2.94Å; K208-S224 VanDerWaalsContact CA-OG 3.32Å; K208-S224 WeakPolarHBondContact CA-OG 3.32Å; K208-S224 PolarHBondContact O-N 3.26Å; K208-S224 PolarHBondContact O-OG 3.41Å; K208-S224 VanDerWaalsContact O-OG 3.13Å; V222-S224 PolarHBondContact O-N 2.94Å
225Y93Very high94.9Very high128 Ų12844.6 Ų44.650%0.50223%0.228SC..THydrogen-bonded Turntrans-97.6-40.8-175.5-62.5-80.1000112.2N185 F187 K208 D223N185-Y225 PolarHBondContact ND2-O 2.83Å; N185-Y225 VanDerWaalsContact ND2-O 3.14Å; F187-Y225 WeakPolarHBondContact CZ-O 3.48Å; K208-Y225 HydrophobicContact CB-CE2 4.26Å; K208-Y225 HydrophobicContact CG-CE2 4.08Å; D223-Y225 VanDerWaalsContact C-N 3.3Å; D223-Y225 PolarHBondContact O-N 3.35Å; D223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; D223-Y225 WeakPolarHBondContact OD1-CB 3.43Å; D223-Y225 PolarHBondContact OD1-N 3.49Å
226Q92.2Very high94.9Very high125 Ų12543.2 Ų43.258%0.58422%0.221SC*.THydrogen-bonded Turntrans-114.8-12.7-170.8-60.5-177.7-6.600112.9F187 D223 H228F187-Q226 VanDerWaalsContact CE1-O 3.26Å; F187-Q226 WeakPolarHBondContact CE1-O 3.33Å; F187-Q226 VanDerWaalsContact CZ-C 3.48Å; D223-Q226 PolarHBondContact OD1-N 3.42Å; Q226-H228 WeakPolarHBondContact CB-ND1 3.27Å; Q226-H228 PolarHBondContact O-N 2.81Å; Q226-H228 PolarHBondContact OE1-CE1 2.88Å; Q226-H228 PolarHBondContact OE1-ND1 3.4Å
227G90.4Very high95Very high13 Ų1348.4 Ų48.413%0.13424%0.243CC..  trans74.512.4179.100000114.2F187 V222 D223 F229F187-G227 VanDerWaalsContact CD1-CA 3.45Å; F187-G227 VanDerWaalsContact CD2-CA 3.46Å; V222-G227 VanDerWaalsContact CG1-C 3.48Å; V222-G227 WeakPolarHBondContact CG1-O 3.32Å; D223-G227 VanDerWaalsContact O-CA 3.27Å; D223-G227 WeakPolarHBondContact O-CA 3.46Å; D223-G227 PolarHBondContact O-N 2.85Å; G227-F229 PolarHBondContact O-N 2.86Å
228H92.8Very high95.1Very high109 Ų10946.1 Ų46.151%0.50523%0.226SC..  trans-63121.8175.2-71.2110.8000109.7V222 D223 Q226 F230V222-H228 WeakPolarHBondContact CA-O 3.37Å; D223-H228 HydrophobicContact CB-CB 4Å; D223-H228 PolarHBondContact N-O 2.89Å; Q226-H228 WeakPolarHBondContact CB-ND1 3.27Å; Q226-H228 PolarHBondContact O-N 2.81Å; Q226-H228 PolarHBondContact OE1-CE1 2.88Å; Q226-H228 PolarHBondContact OE1-ND1 3.4Å; H228-F230 PolarHBondContact O-N 2.95Å
229F92.5Very high95Very high61 Ų6148.1 Ų48.127%0.26825%0.246SC..EExtended strand (participates in β ladder)trans-60.4125.1173.3177.4-94.1000110.3Q191 Y220 G227 K231 T232Q191-F229 HydrophobicContact CB-CD2 4.27Å; Q191-F229 HydrophobicContact CB-CE2 4.12Å; Q191-F229 HydrophobicContact CB-CZ 4.43Å; Q191-F229 HydrophobicContact CG-CD1 4.36Å; Q191-F229 HydrophobicContact CG-CD2 4.25Å; Q191-F229 HydrophobicContact CG-CE2 4.43Å; Q191-F229 HydrophobicContact CG-CG 4.21Å; Y220-F229 AromaticContact CD1-CE2 3.75Å; Y220-F229 HydrophobicContact CD1-CE2 3.75Å; Y220-F229 HydrophobicContact CD1-CZ 4.3Å; Y220-F229 HydrophobicContact CE1-CE2 4.49Å; G227-F229 PolarHBondContact O-N 2.86Å; F229-K231 VanDerWaalsContact CZ-C 3.41Å; F229-T232 WeakPolarHBondContact CZ-OG1 3.41Å
230F92.3Very high94.9Very high75 Ų7551.3 Ų51.333%0.32927%0.273SS..EExtended strand (participates in β ladder)trans-92.9-73.9175.7-67.9-28.9000111.3V209 T221 D223 H228V209-F230 HydrophobicContact CG1-CD2 3.99Å; V209-F230 HydrophobicContact CG1-CE2 4.19Å; V209-F230 HydrophobicContact CG2-CD2 4.44Å; V209-F230 HydrophobicContact CG2-CE2 3.99Å; T221-F230 WeakPolarHBondContact O-CB 3.47Å; T221-F230 PolarHBondContact O-N 2.89Å; D223-F230 HydrophobicContact CB-CE1 3.77Å; D223-F230 HydrophobicContact CB-CE2 3.98Å; D223-F230 HydrophobicContact CB-CZ 3.39Å; D223-F230 WeakPolarHBondContact OD2-CZ 3.37Å; H228-F230 PolarHBondContact O-N 2.95Å
231K95.1Very high94.8Very high82 Ų8255.7 Ų55.736%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-143.1149.6-170.2-56.5-66.7168.6-176.50112.5Y220 T221 F229 L233 E270 T271Y220-K231 WeakPolarHBondContact CA-O 3.49Å; T221-K231 PolarHBondContact N-O 3.26Å; T221-K231 PolarHBondContact O-N 3.17Å; T221-K231 WeakPolarHBondContact OG1-CB 3.48Å; T221-K231 PolarHBondContact OG1-N 3.18Å; T221-K231 VanDerWaalsContact OG1-N 3.11Å; T221-K231 PolarHBondContact OG1-O 3.02Å; F229-K231 VanDerWaalsContact CZ-C 3.41Å; K231-L233 HydrophobicContact CB-CD2 4.09Å; K231-E270 VanDerWaalsContact CE-O 3.23Å; K231-E270 WeakPolarHBondContact CE-O 3.27Å; K231-T271 WeakPolarHBondContact CD-O 3.15Å; K231-T271 WeakPolarHBondContact CE-O 3.32Å
232T96.2Very high94.7Very high49 Ų4957.7 Ų57.730%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-97.7117.1158.1-53.20000107.7K218 I219 Y220 F229 T234K218-T232 HydrophobicContact CB-CG2 3.88Å; K218-T232 HydrophobicContact CD-CG2 4.01Å; K218-T232 HydrophobicContact CG-CG2 3.83Å; I219-T232 CarbonylContact O-C 3.58Å; I219-T232 WeakPolarHBondContact O-CA 3.4Å; Y220-T232 HydrophobicContact CD1-CG2 4.02Å; Y220-T232 HydrophobicContact CE1-CG2 3.74Å; Y220-T232 WeakPolarHBondContact CE1-OG1 3.49Å; F229-T232 WeakPolarHBondContact CZ-OG1 3.41Å; T232-T234 HydrophobicContact CG2-CG2 3.7Å
233L97.3Very high94.6Very high0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-86.1126172.2-42.6178.5000108.2I219 T221 K231 V255 W267 G272I219-L233 HydrophobicContact CB-CB 4.14Å; I219-L233 HydrophobicContact CB-CD1 4.42Å; I219-L233 HydrophobicContact CG2-CD1 4.02Å; I219-L233 HydrophobicContact CG2-CG 4.47Å; I219-L233 PolarHBondContact N-O 2.85Å; I219-L233 VanDerWaalsContact N-O 3.1Å; I219-L233 PolarHBondContact O-N 3.36Å; T221-L233 HydrophobicContact CG2-CD1 4.34Å; K231-L233 HydrophobicContact CB-CD2 4.09Å; L233-V255 HydrophobicContact CD1-CB 3.68Å; L233-V255 HydrophobicContact CD1-CG1 3.64Å; L233-V255 HydrophobicContact CD1-CG2 3.95Å; L233-W267 HydrophobicContact CB-CD2 3.93Å; L233-W267 HydrophobicContact CB-CE3 4.49Å; L233-W267 HydrophobicContact CB-CG 3.95Å; L233-W267 HydrophobicContact CD1-CB 4.1Å; L233-W267 HydrophobicContact CD1-CD2 4.28Å; L233-W267 HydrophobicContact CD1-CE3 4.29Å; L233-W267 HydrophobicContact CD1-CG 4.22Å; L233-W267 HydrophobicContact CD2-CB 3.95Å; L233-W267 HydrophobicContact CD2-CG 4.13Å; L233-W267 HydrophobicContact CG-CB 4.44Å; L233-W267 HydrophobicContact CG-CG 4.33Å; L233-G272 VanDerWaalsContact CD2-CA 3.47Å
234T96.7Very high94.6Very high75 Ų7558.9 Ų58.946%0.4632%0.317SS..  trans-134160.7-177.663.50000110.5K218 T232 W267K218-T234 HydrophobicContact CG-CG2 4.2Å; T232-T234 HydrophobicContact CG2-CG2 3.7Å; T234-W267 PolarHBondContact O-NE1 3.17Å
235G95.2Very high94.7Very high31 Ų3159.3 Ų59.332%0.3232%0.319SS..  trans130.6-37.2175.600000113.1
236H96.2Very high95Very high6 Ų653.2 Ų53.23%0.02830%0.295CS..SBendtrans-62.8149.5173.569.9-70.7000110.7S217 Y265 W267S217-H236 PolarHBondContact O-CE1 2.84Å; H236-Y265 HydrophobicContact CB-CD2 3.86Å; H236-Y265 HydrophobicContact CB-CE2 4.33Å; H236-Y265 HydrophobicContact CB-CG 4.14Å; H236-W267 HydrophobicContact CB-CH2 4.02Å; H236-W267 HydrophobicContact CB-CZ2 4.3Å; H236-W267 AromaticContact ND1-CH2 3.83Å; H236-W267 AromaticContact ND1-CZ2 3.89Å
237K96Very high95.2Very high111 Ų11147.6 Ų47.648%0.48327%0.27SS..  trans-94.7132.5-177-53.8-52.6-178.9-164.90109.5S259 A260 D261K237-S259 PolarHBondContact N-OG 3.19Å; K237-S259 PolarHBondContact O-OG 2.83Å; K237-A260 HydrophobicContact CB-CB 4.37Å; K237-A260 WeakPolarHBondContact O-CB 3.25Å; K237-A260 PolarHBondContact O-N 3.34Å; K237-D261 HydrophobicContact CG-CB 4.28Å
238N96.4Very high95.6Very high1 Ų147.8 Ų47.81%0.00527%0.267CS..  trans-15363172.2-164.77000112.5N215 G216 S217 A240 N241 L242 I244N215-N238 PolarHBondContact O-ND2 3.15Å; G216-N238 PolarHBondContact O-ND2 3.23Å; S217-N238 WeakPolarHBondContact OG-CB 3.42Å; S217-N238 PolarHBondContact OG-N 3.46Å; S217-N238 VanDerWaalsContact OG-N 3.15Å; N238-A240 VanDerWaalsContact C-N 3.26Å; N238-A240 PolarHBondContact O-N 3.25Å; N238-N241 PolarHBondContact O-N 3.36Å; N238-L242 PolarHBondContact ND2-O 3.38Å; N238-L242 VanDerWaalsContact OD1-CB 3.32Å; N238-L242 WeakPolarHBondContact OD1-CB 3.27Å; N238-L242 PolarHBondContact OD1-N 3.1Å; N238-I244 HydrophobicContact CB-CD1 4.05Å
239P94.8Very high95.8Very high114 Ų11442.7 Ų42.774%0.7424%0.243SC*.THydrogen-bonded Turntrans-69.8-21.8-17629.2-35.7000113.6N241P239-N241 VanDerWaalsContact C-N 3.34Å
240A94.6Very high95.9Very high68 Ų6841.6 Ų41.656%0.56224%0.242SC*.THydrogen-bonded Turntrans-9514.1-176.900000113.5N238 L242N238-A240 VanDerWaalsContact C-N 3.26Å; N238-A240 PolarHBondContact O-N 3.25Å; A240-L242 VanDerWaalsContact C-N 3.28Å; A240-L242 HydrophobicContact CB-CD1 4.37Å; A240-L242 HydrophobicContact CB-CD2 4.13Å; A240-L242 HydrophobicContact CB-CG 3.94Å; A240-L242 PolarHBondContact O-N 2.7Å
241N95.1Very high96.1Very high92 Ų9240.2 Ų40.249%0.49224%0.238SC..  trans47.846.5-177.8-65.4-26.4000114.2N215 N238 P239N215-N241 CarbonylContact O-C 3.48Å; N215-N241 WeakPolarHBondContact O-CA 3.29Å; N238-N241 PolarHBondContact O-N 3.36Å; P239-N241 VanDerWaalsContact C-N 3.34Å
242L94.9Very high96.1Very high42 Ų4236.9 Ų36.922%0.2223%0.227CC..  trans-79.4143.2-178.1-63.1-177.9000110.4N215 N238 A240 I244 P290N215-L242 WeakPolarHBondContact CA-O 3.48Å; N215-L242 PolarHBondContact O-N 2.83Å; N238-L242 PolarHBondContact ND2-O 3.38Å; N238-L242 VanDerWaalsContact OD1-CB 3.32Å; N238-L242 WeakPolarHBondContact OD1-CB 3.27Å; N238-L242 PolarHBondContact OD1-N 3.1Å; A240-L242 VanDerWaalsContact C-N 3.28Å; A240-L242 HydrophobicContact CB-CD1 4.37Å; A240-L242 HydrophobicContact CB-CD2 4.13Å; A240-L242 HydrophobicContact CB-CG 3.94Å; A240-L242 PolarHBondContact O-N 2.7Å; L242-I244 HydrophobicContact CB-CD1 4.39Å; L242-I244 HydrophobicContact CB-CG1 4.06Å; L242-I244 PolarHBondContact O-N 2.96Å; L242-P290 HydrophobicContact CD1-CB 3.58Å; L242-P290 HydrophobicContact CD1-CG 3.64Å
243S94.1Very high96.1Very high50 Ų5037 Ų3735%0.3523%0.228SC..  trans-72.590.7170.2160.50000110.2A199 R292A199-S243 WeakPolarHBondContact CB-OG 3.47Å; S243-R292 VanDerWaalsContact CB-NH2 3.31Å; S243-R292 PolarHBondContact O-NE 3.3Å; S243-R292 PolarHBondContact O-NH2 3.36Å
244I96.3Very high96.2Very high3 Ų337.4 Ų37.42%0.01523%0.23CC..  trans-97.3121178.9-65.9179.3000108.7Y213 N238 L242 G258 V291Y213-I244 WeakPolarHBondContact CD2-O 3.38Å; N238-I244 HydrophobicContact CB-CD1 4.05Å; L242-I244 HydrophobicContact CB-CD1 4.39Å; L242-I244 HydrophobicContact CB-CG1 4.06Å; L242-I244 PolarHBondContact O-N 2.96Å; I244-G258 VanDerWaalsContact CG2-C 3.47Å; I244-G258 VanDerWaalsContact CG2-O 3.25Å; I244-G258 WeakPolarHBondContact CG2-O 3.35Å; I244-V291 WeakPolarHBondContact CG2-O 3.44Å
245E97Very high96.2Very high11 Ų1133.8 Ų33.85%0.05121%0.208CC..  trans-69.5141.6179.8-171.7175.5-169.900111.4K202 Y213 S257 G258 R292 C293 V294 R295K202-E245 IonicContact NZ-OE1 2.83Å; K202-E245 PolarHBondContact NZ-OE1 2.78Å; Y213-E245 HydrophobicContact CE1-CG 4.28Å; Y213-E245 HydrophobicContact CE2-CB 4.4Å; Y213-E245 HydrophobicContact CE2-CG 4.48Å; E245-S257 PolarHBondContact O-OG 2.98Å; E245-G258 PolarHBondContact O-N 2.76Å; E245-R292 WeakPolarHBondContact CB-O 3.47Å; E245-R292 PolarHBondContact N-O 3.24Å; E245-C293 WeakPolarHBondContact OE2-CA 3.42Å; E245-C293 WeakPolarHBondContact OE2-CB 3.45Å; E245-V294 WeakPolarHBondContact O-CG1 3.46Å; E245-R295 IonicContact OE1-CZ 3.34Å; E245-R295 IonicContact OE1-NE 3.55Å; E245-R295 PolarHBondContact OE1-NE 2.83Å; E245-R295 IonicContact OE1-NH2 3.77Å; E245-R295 PolarHBondContact OE1-NH2 3.28Å
246A98.2Very high96.4Very high0 Ų032.3 Ų32.30%019%0.192CC..EExtended strand (participates in β ladder)trans-117.1154.7161.200000110.5K202 L211 Y213 I219 V255 L256K202-A246 PolarHBondContact NZ-O 3.08Å; L211-A246 HydrophobicContact CD2-CB 3.96Å; Y213-A246 HydrophobicContact CD1-CB 4.21Å; Y213-A246 HydrophobicContact CG-CB 4.25Å; I219-A246 HydrophobicContact CD1-CB 3.79Å; I219-A246 HydrophobicContact CG1-CB 4.33Å; I219-A246 HydrophobicContact CG2-CB 4.35Å; A246-V255 HydrophobicContact CB-CG1 4.2Å; A246-L256 CarbonylContact C-O 3.45Å; A246-L256 WeakPolarHBondContact CA-O 3.47Å; A246-L256 WeakPolarHBondContact CB-O 3.44Å
247S97.9Very high96.5Very high6 Ų632 Ų324%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-140.5164.7-179.4-68.40000110.5K202 V255 L256 V294K202-S247 PolarHBondContact NZ-OG 2.78Å; S247-V255 CarbonylContact O-C 3.54Å; S247-V255 VanDerWaalsContact O-CA 3.31Å; S247-V255 WeakPolarHBondContact O-CA 3.44Å; S247-L256 PolarHBondContact N-O 3.42Å; S247-L256 WeakPolarHBondContact O-CD2 3.39Å; S247-L256 PolarHBondContact O-N 2.77Å; S247-V294 PolarHBondContact OG-O 2.89Å
248F97.8Very high96.5Very high18 Ų1826.8 Ų26.88%0.07917%0.168CC..EExtended strand (participates in β ladder)trans-91156.2165.3-71.1-77.4000110.7F203 S204 P205 V209 L211 F254 V255 T269F203-F248 WeakPolarHBondContact O-CD2 3.19Å; S204-F248 VanDerWaalsContact CA-CE2 3.49Å; S204-F248 VanDerWaalsContact N-CE2 3.33Å; P205-F248 HydrophobicContact CG-CB 4.47Å; V209-F248 HydrophobicContact CB-CZ 4.15Å; V209-F248 HydrophobicContact CG1-CZ 4.09Å; L211-F248 HydrophobicContact CB-CD2 4.38Å; L211-F248 HydrophobicContact CB-CE2 3.43Å; L211-F248 VanDerWaalsContact CB-CE2 3.43Å; L211-F248 HydrophobicContact CB-CZ 3.63Å; L211-F248 HydrophobicContact CD2-CD2 4.18Å; L211-F248 HydrophobicContact CD2-CE2 3.99Å; L211-F248 HydrophobicContact CD2-CZ 4.36Å; L211-F248 HydrophobicContact CG-CE2 4.29Å; L211-F248 HydrophobicContact CG-CZ 4.41Å; F248-F254 CarbonylContact C-O 3.47Å; F248-F254 WeakPolarHBondContact CA-O 3.47Å; F248-V255 HydrophobicContact CD1-CG2 3.69Å; F248-V255 HydrophobicContact CE1-CG2 3.51Å; F248-V255 HydrophobicContact CZ-CG2 4.32Å; F248-T269 HydrophobicContact CE1-CG2 3.78Å
249T97.3Very high96.6Very high1 Ų126.7 Ų26.71%0.00617%0.168CC..  trans-67158.6155.751.70000110.8L3 P205 D251 G252 V253 F254 L256 F266 F296L3-T249 HydrophobicContact CD1-CG2 3.56Å; P205-T249 WeakPolarHBondContact CG-O 3.22Å; T249-D251 VanDerWaalsContact CB-OD1 3.3Å; T249-D251 WeakPolarHBondContact CB-OD1 3.24Å; T249-D251 PolarHBondContact O-N 3.01Å; T249-D251 VanDerWaalsContact O-N 3.16Å; T249-D251 PolarHBondContact OG1-OD1 3.08Å; T249-G252 PolarHBondContact O-N 3.36Å; T249-V253 PolarHBondContact OG1-N 3.29Å; T249-F254 HydrophobicContact CG2-CB 3.79Å; T249-F254 HydrophobicContact CG2-CD2 4.33Å; T249-F254 PolarHBondContact N-O 2.94Å; T249-F254 PolarHBondContact OG1-N 2.91Å; T249-F254 VanDerWaalsContact OG1-N 3.07Å; T249-F254 PolarHBondContact OG1-O 2.84Å; T249-L256 HydrophobicContact CG2-CD2 4.43Å; T249-F266 HydrophobicContact CG2-CE1 4.46Å; T249-F296 HydrophobicContact CG2-CD2 3.84Å; T249-F296 HydrophobicContact CG2-CE2 4.15Å
250P95.4Very high96.6Very high38 Ų3822.6 Ų22.625%0.24714%0.143CC..THydrogen-bonded Turntrans-62.2-24-176.7-25.135.7000114.6P205 F296 S297P205-P250 WeakPolarHBondContact CB-O 3.17Å; P205-P250 WeakPolarHBondContact CG-O 3.26Å; P250-F296 HydrophobicContact CG-CD1 3.51Å; P250-F296 HydrophobicContact CG-CE1 3.98Å; P250-F296 HydrophobicContact CG-CG 4.19Å; P250-S297 WeakPolarHBondContact CG-O 3.32Å
251D95Very high96.6Very high47 Ų4722 Ų2225%0.25113%0.13SC..THydrogen-bonded Turntrans-88.6-4.3173.861.72.4000113.7L3 T249 V253L3-D251 PolarHBondContact N-OD2 3.05Å; T249-D251 VanDerWaalsContact CB-OD1 3.3Å; T249-D251 WeakPolarHBondContact CB-OD1 3.24Å; T249-D251 PolarHBondContact O-N 3.01Å; T249-D251 VanDerWaalsContact O-N 3.16Å; T249-D251 PolarHBondContact OG1-OD1 3.08Å; D251-V253 HydrophobicContact CB-CG2 4.12Å; D251-V253 PolarHBondContact O-N 3.19Å; D251-V253 PolarHBondContact OD1-N 2.78Å; D251-V253 VanDerWaalsContact OD1-N 3.11Å
252G96.2Very high96.6Very high12 Ų1217.6 Ų17.612%0.12411%0.107CC..SBendtrans72.3-1-178.500000115.3T249 F254 T269T249-G252 PolarHBondContact O-N 3.36Å; G252-F254 VanDerWaalsContact C-N 3.3Å; G252-F254 PolarHBondContact O-N 2.93Å; G252-T269 WeakPolarHBondContact O-CB 3.42Å; G252-T269 PolarHBondContact O-OG1 2.97Å
253V96.6Very high96.7Very high52 Ų5216.5 Ų16.532%0.31510%0.102SC..SBendtrans-69.4-31.1-173.6179.20000111.7T249 D251 T269T249-V253 PolarHBondContact OG1-N 3.29Å; D251-V253 HydrophobicContact CB-CG2 4.12Å; D251-V253 PolarHBondContact O-N 3.19Å; D251-V253 PolarHBondContact OD1-N 2.78Å; D251-V253 VanDerWaalsContact OD1-N 3.11Å; V253-T269 WeakPolarHBondContact O-CB 3.32Å; V253-T269 PolarHBondContact O-N 3.11Å; V253-T269 PolarHBondContact O-OG1 3.43Å
254F97.6Very high96.8Very high7 Ų714.1 Ų14.13%0.0319%0.085CC..EExtended strand (participates in β ladder)trans-126.6149.9-178.8-53.7-89.6000112.4L3 Q5 I8 F248 T249 G252 F266 W267 K268 T269 V275L3-F254 HydrophobicContact CB-CD2 4.38Å; L3-F254 HydrophobicContact CB-CE2 4.14Å; Q5-F254 HydrophobicContact CG-CE1 4.11Å; Q5-F254 HydrophobicContact CG-CZ 4.16Å; I8-F254 HydrophobicContact CD1-CB 4.07Å; I8-F254 HydrophobicContact CD1-CD1 3.59Å; I8-F254 HydrophobicContact CD1-CD2 3.25Å; I8-F254 HydrophobicContact CD1-CE1 3.72Å; I8-F254 HydrophobicContact CD1-CE2 3.36Å; I8-F254 HydrophobicContact CD1-CG 3.34Å; I8-F254 HydrophobicContact CD1-CZ 3.59Å; F248-F254 CarbonylContact C-O 3.47Å; F248-F254 WeakPolarHBondContact CA-O 3.47Å; T249-F254 HydrophobicContact CG2-CB 3.79Å; T249-F254 HydrophobicContact CG2-CD2 4.33Å; T249-F254 PolarHBondContact N-O 2.94Å; T249-F254 PolarHBondContact OG1-N 2.91Å; T249-F254 VanDerWaalsContact OG1-N 3.07Å; T249-F254 PolarHBondContact OG1-O 2.84Å; G252-F254 VanDerWaalsContact C-N 3.3Å; G252-F254 PolarHBondContact O-N 2.93Å; F254-F266 HydrophobicContact CB-CD1 4.32Å; F254-W267 CarbonylContact C-O 3.52Å; F254-W267 WeakPolarHBondContact CA-O 3.35Å; F254-W267 WeakPolarHBondContact CB-O 3.44Å; F254-K268 HydrophobicContact CD1-CB 4.33Å; F254-K268 HydrophobicContact CE1-CB 4.33Å; F254-T269 PolarHBondContact N-OG1 3.13Å; F254-V275 HydrophobicContact CD1-CG2 3.81Å; F254-V275 HydrophobicContact CE1-CG2 3.85Å
255V98.4Very high96.9Very high0 Ų015.2 Ų15.20%09%0.089CC..EExtended strand (participates in β ladder)trans-103.2138.7164.2173.60000107.9L211 L233 A246 S247 F248 F266 W267L211-V255 HydrophobicContact CD1-CG1 3.9Å; L211-V255 HydrophobicContact CD1-CG2 3.99Å; L211-V255 HydrophobicContact CD2-CG1 4.12Å; L233-V255 HydrophobicContact CD1-CB 3.68Å; L233-V255 HydrophobicContact CD1-CG1 3.64Å; L233-V255 HydrophobicContact CD1-CG2 3.95Å; A246-V255 HydrophobicContact CB-CG1 4.2Å; S247-V255 CarbonylContact O-C 3.54Å; S247-V255 VanDerWaalsContact O-CA 3.31Å; S247-V255 WeakPolarHBondContact O-CA 3.44Å; F248-V255 HydrophobicContact CD1-CG2 3.69Å; F248-V255 HydrophobicContact CE1-CG2 3.51Å; F248-V255 HydrophobicContact CZ-CG2 4.32Å; V255-F266 CarbonylContact O-C 3.54Å; V255-F266 WeakPolarHBondContact O-CA 3.27Å; V255-W267 HydrophobicContact CG1-CE3 4.41Å; V255-W267 PolarHBondContact N-O 2.87Å; V255-W267 PolarHBondContact O-N 2.63Å
256L98.2Very high97Very high0 Ų014.7 Ų14.70%09%0.087CC..EExtended strand (participates in β ladder)trans-123.3145.317267.9163.4000111.2A246 S247 T249 I264 Y265 F266 V294 F296 I303A246-L256 CarbonylContact C-O 3.45Å; A246-L256 WeakPolarHBondContact CA-O 3.47Å; A246-L256 WeakPolarHBondContact CB-O 3.44Å; S247-L256 PolarHBondContact N-O 3.42Å; S247-L256 WeakPolarHBondContact O-CD2 3.39Å; S247-L256 PolarHBondContact O-N 2.77Å; T249-L256 HydrophobicContact CG2-CD2 4.43Å; L256-I264 HydrophobicContact CB-CG2 4.24Å; L256-I264 HydrophobicContact CD1-CG2 4.37Å; L256-Y265 CarbonylContact C-O 3.57Å; L256-Y265 WeakPolarHBondContact CA-O 3.38Å; L256-F266 HydrophobicContact CB-CD1 3.85Å; L256-F266 HydrophobicContact CB-CD2 4.32Å; L256-F266 HydrophobicContact CB-CE1 3.58Å; L256-F266 HydrophobicContact CB-CE2 4.03Å; L256-F266 HydrophobicContact CB-CG 4.22Å; L256-F266 HydrophobicContact CB-CZ 3.65Å; L256-F266 HydrophobicContact CD1-CE1 4.03Å; L256-F266 HydrophobicContact CD1-CE2 4.47Å; L256-F266 HydrophobicContact CD1-CZ 3.67Å; L256-F266 HydrophobicContact CD2-CE1 4.48Å; L256-F266 HydrophobicContact CG-CE1 4.25Å; L256-F266 HydrophobicContact CG-CZ 4.25Å; L256-V294 HydrophobicContact CD1-CG2 3.58Å; L256-V294 HydrophobicContact CG-CG1 4.39Å; L256-V294 HydrophobicContact CG-CG2 4.21Å; L256-F296 HydrophobicContact CD2-CB 4.4Å; L256-I303 HydrophobicContact CD1-CD1 4.48Å; L256-I303 HydrophobicContact CD1-CG1 4.22Å; L256-I303 HydrophobicContact CD1-CG2 3.81Å
257S98.3Very high97Very high0 Ų014.7 Ų14.70%09%0.087CC..EExtended strand (participates in β ladder)trans-141.7146.9178.7-179.50000110.7E245 I264 Y265E245-S257 PolarHBondContact O-OG 2.98Å; S257-I264 CarbonylContact O-C 3.53Å; S257-I264 WeakPolarHBondContact O-CA 3.33Å; S257-I264 WeakPolarHBondContact O-CG2 3.26Å; S257-Y265 PolarHBondContact N-O 2.83Å; S257-Y265 PolarHBondContact O-N 3.42Å
258G96.9Very high96.9Very high0 Ų017.1 Ų17.10%010%0.097CC..EExtended strand (participates in β ladder)trans-65.7175.7162.300000111.9I244 E245 N263I244-G258 VanDerWaalsContact CG2-C 3.47Å; I244-G258 VanDerWaalsContact CG2-O 3.25Å; I244-G258 WeakPolarHBondContact CG2-O 3.35Å; E245-G258 PolarHBondContact O-N 2.76Å; G258-N263 CarbonylContact C-O 3.53Å
259S97.2Very high96.9Very high0 Ų016.8 Ų16.80%010%0.096CC..  trans-153.3155.2178.3175.90000111K237 D261 G262 N263 V291K237-S259 PolarHBondContact N-OG 3.19Å; K237-S259 PolarHBondContact O-OG 2.83Å; S259-D261 WeakPolarHBondContact CB-OD1 3.19Å; S259-D261 PolarHBondContact O-N 3.45Å; S259-D261 VanDerWaalsContact OG-CG 3.27Å; S259-D261 PolarHBondContact OG-OD1 2.82Å; S259-G262 PolarHBondContact O-N 3.25Å; S259-G262 VanDerWaalsContact O-N 3.17Å; S259-N263 WeakPolarHBondContact CB-O 3.21Å; S259-N263 PolarHBondContact N-O 3.15Å; S259-N263 VanDerWaalsContact N-O 3.09Å; S259-V291 PolarHBondContact O-N 2.76Å
260A96Very high96.7Very high27 Ų2723.4 Ų23.422%0.22313%0.127CC..THydrogen-bonded Turntrans-69.4-15.7179.600000113.9K237 G262 P290K237-A260 HydrophobicContact CB-CB 4.37Å; K237-A260 WeakPolarHBondContact O-CB 3.25Å; K237-A260 PolarHBondContact O-N 3.34Å; A260-G262 VanDerWaalsContact C-N 3.25Å; A260-P290 HydrophobicContact CB-CB 4.32Å; A260-P290 HydrophobicContact CB-CG 4.23Å
261D95Very high96.7Very high55 Ų5524.4 Ų24.429%0.29413%0.132SC..THydrogen-bonded Turntrans-84.55.4172.767.1-10000113.4K237 S259 N263 Y265 G285K237-D261 HydrophobicContact CG-CB 4.28Å; S259-D261 WeakPolarHBondContact CB-OD1 3.19Å; S259-D261 PolarHBondContact O-N 3.45Å; S259-D261 VanDerWaalsContact OG-CG 3.27Å; S259-D261 PolarHBondContact OG-OD1 2.82Å; D261-N263 VanDerWaalsContact C-N 3.34Å; D261-N263 VanDerWaalsContact CG-ND2 3.3Å; D261-N263 WeakPolarHBondContact OD1-CB 3.13Å; D261-N263 PolarHBondContact OD1-N 2.98Å; D261-N263 VanDerWaalsContact OD1-N 3.17Å; D261-N263 PolarHBondContact OD2-ND2 3.14Å; D261-Y265 PolarHBondContact OD2-OH 3.47Å; D261-G285 WeakPolarHBondContact O-CA 3.45Å
262G95.1Very high96.8Very high0 Ų023 Ų230%013%0.129CC..SBendtrans851.9177.900000114.7S259 A260 A286 H287 V291S259-G262 PolarHBondContact O-N 3.25Å; S259-G262 VanDerWaalsContact O-N 3.17Å; A260-G262 VanDerWaalsContact C-N 3.25Å; G262-A286 WeakPolarHBondContact O-CB 3.3Å; G262-A286 PolarHBondContact O-N 2.9Å; G262-H287 PolarHBondContact O-N 2.93Å; G262-V291 WeakPolarHBondContact O-CG2 3.41Å
263N96.1Very high96.8Very high20 Ų2027.6 Ų27.611%0.10715%0.147CC..  trans-98168-177.7-61.9-40.4000113.1G258 S259 D261 Y265 V277 L278 A279 G285G258-N263 CarbonylContact C-O 3.53Å; S259-N263 WeakPolarHBondContact CB-O 3.21Å; S259-N263 PolarHBondContact N-O 3.15Å; S259-N263 VanDerWaalsContact N-O 3.09Å; D261-N263 VanDerWaalsContact C-N 3.34Å; D261-N263 VanDerWaalsContact CG-ND2 3.3Å; D261-N263 WeakPolarHBondContact OD1-CB 3.13Å; D261-N263 PolarHBondContact OD1-N 2.98Å; D261-N263 VanDerWaalsContact OD1-N 3.17Å; D261-N263 PolarHBondContact OD2-ND2 3.14Å; N263-Y265 HydrophobicContact CB-CD2 4.44Å; N263-Y265 HydrophobicContact CB-CE2 3.99Å; N263-V277 HydrophobicContact CB-CG1 3.75Å; N263-L278 WeakPolarHBondContact CA-O 3.33Å; N263-A279 WeakPolarHBondContact OD1-CA 3.29Å; N263-A279 VanDerWaalsContact OD1-CB 3.31Å; N263-A279 WeakPolarHBondContact OD1-CB 3.46Å; N263-G285 WeakPolarHBondContact OD1-CA 3.32Å
264I97.4Very high96.8Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-113.1125.6169.7-50.5170.5000108.9L256 S257 F266 V277 L278 V294 I303 S305 W313L256-I264 HydrophobicContact CB-CG2 4.24Å; L256-I264 HydrophobicContact CD1-CG2 4.37Å; S257-I264 CarbonylContact O-C 3.53Å; S257-I264 WeakPolarHBondContact O-CA 3.33Å; S257-I264 WeakPolarHBondContact O-CG2 3.26Å; I264-F266 HydrophobicContact CB-CE2 4.42Å; I264-F266 HydrophobicContact CG2-CD2 4.32Å; I264-F266 HydrophobicContact CG2-CE2 3.68Å; I264-F266 HydrophobicContact CG2-CZ 4.36Å; I264-V277 CarbonylContact O-C 3.56Å; I264-V277 WeakPolarHBondContact O-CA 3.48Å; I264-L278 HydrophobicContact CB-CB 4.18Å; I264-L278 HydrophobicContact CD1-CD1 4.44Å; I264-L278 PolarHBondContact N-O 3.3Å; I264-L278 PolarHBondContact O-N 2.85Å; I264-V294 HydrophobicContact CD1-CG2 4.21Å; I264-V294 HydrophobicContact CG2-CG2 4.05Å; I264-I303 HydrophobicContact CD1-CG2 4.2Å; I264-S305 WeakPolarHBondContact CD1-OG 3.32Å; I264-W313 HydrophobicContact CD1-CD2 4.34Å; I264-W313 HydrophobicContact CD1-CZ2 3.83Å
265Y97.8Very high96.7Very high25 Ų2528.1 Ų28.110%0.09815%0.149CC..EExtended strand (participates in β ladder)trans-103144.7-179.9-77-96.4000111.1H236 L256 S257 D261 N263 W267 N274 V277H236-Y265 HydrophobicContact CB-CD2 3.86Å; H236-Y265 HydrophobicContact CB-CE2 4.33Å; H236-Y265 HydrophobicContact CB-CG 4.14Å; L256-Y265 CarbonylContact C-O 3.57Å; L256-Y265 WeakPolarHBondContact CA-O 3.38Å; S257-Y265 PolarHBondContact N-O 2.83Å; S257-Y265 PolarHBondContact O-N 3.42Å; D261-Y265 PolarHBondContact OD2-OH 3.47Å; N263-Y265 HydrophobicContact CB-CD2 4.44Å; N263-Y265 HydrophobicContact CB-CE2 3.99Å; Y265-W267 HydrophobicContact CG-CH2 4.24Å; Y265-W267 HydrophobicContact CG-CZ2 4.39Å; Y265-W267 WeakPolarHBondContact O-CZ3 3.49Å; Y265-N274 WeakPolarHBondContact CD1-ND2 3.47Å; Y265-V277 HydrophobicContact CD1-CG1 4.48Å; Y265-V277 HydrophobicContact CD1-CG2 3.58Å; Y265-V277 HydrophobicContact CE1-CB 4.49Å; Y265-V277 HydrophobicContact CE1-CG1 4.21Å; Y265-V277 HydrophobicContact CE1-CG2 3.44Å; Y265-V277 VanDerWaalsContact CE1-CG2 3.44Å; Y265-V277 HydrophobicContact CE2-CG1 4.31Å; Y265-V277 HydrophobicContact CG-CG2 4.39Å
266F98.2Very high96.6Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-121.8139.3176.9-75.8-104.3000111.5I8 T249 F254 V255 L256 I264 N274 V275 A276 L278 I303I8-F266 HydrophobicContact CD1-CD1 3.91Å; I8-F266 HydrophobicContact CD1-CE1 4.35Å; I8-F266 HydrophobicContact CG1-CD1 4.31Å; I8-F266 HydrophobicContact CG1-CE1 4.35Å; I8-F266 HydrophobicContact CG2-CB 4.2Å; I8-F266 HydrophobicContact CG2-CD1 3.57Å; I8-F266 HydrophobicContact CG2-CD2 3.9Å; I8-F266 HydrophobicContact CG2-CE1 3.83Å; I8-F266 HydrophobicContact CG2-CE2 4.18Å; I8-F266 HydrophobicContact CG2-CG 3.61Å; I8-F266 HydrophobicContact CG2-CZ 4.15Å; T249-F266 HydrophobicContact CG2-CE1 4.46Å; F254-F266 HydrophobicContact CB-CD1 4.32Å; V255-F266 CarbonylContact O-C 3.54Å; V255-F266 WeakPolarHBondContact O-CA 3.27Å; L256-F266 HydrophobicContact CB-CD1 3.85Å; L256-F266 HydrophobicContact CB-CD2 4.32Å; L256-F266 HydrophobicContact CB-CE1 3.58Å; L256-F266 HydrophobicContact CB-CE2 4.03Å; L256-F266 HydrophobicContact CB-CG 4.22Å; L256-F266 HydrophobicContact CB-CZ 3.65Å; L256-F266 HydrophobicContact CD1-CE1 4.03Å; L256-F266 HydrophobicContact CD1-CE2 4.47Å; L256-F266 HydrophobicContact CD1-CZ 3.67Å; L256-F266 HydrophobicContact CD2-CE1 4.48Å; L256-F266 HydrophobicContact CG-CE1 4.25Å; L256-F266 HydrophobicContact CG-CZ 4.25Å; I264-F266 HydrophobicContact CB-CE2 4.42Å; I264-F266 HydrophobicContact CG2-CD2 4.32Å; I264-F266 HydrophobicContact CG2-CE2 3.68Å; I264-F266 HydrophobicContact CG2-CZ 4.36Å; F266-N274 WeakPolarHBondContact O-CA 2.98Å; F266-V275 HydrophobicContact CB-CG2 3.87Å; F266-V275 PolarHBondContact O-N 3.04Å; F266-A276 HydrophobicContact CB-CB 4.13Å; F266-A276 PolarHBondContact N-O 2.82Å; F266-L278 HydrophobicContact CD2-CG 4.33Å; F266-L278 HydrophobicContact CE2-CD1 3.61Å; F266-L278 HydrophobicContact CE2-CG 3.74Å; F266-L278 HydrophobicContact CZ-CD1 4.09Å; F266-I303 HydrophobicContact CE1-CD1 4.38Å; F266-I303 HydrophobicContact CE2-CD1 4.49Å; F266-I303 HydrophobicContact CZ-CD1 3.61Å
267W98.3Very high96.4Very high0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-128.9146.5170.9-56.5-100.5000110.7I219 L233 T234 H236 F254 V255 Y265 T269 E273I219-W267 HydrophobicContact CD1-CH2 4.19Å; I219-W267 HydrophobicContact CD1-CZ3 4.2Å; L233-W267 HydrophobicContact CB-CD2 3.93Å; L233-W267 HydrophobicContact CB-CE3 4.49Å; L233-W267 HydrophobicContact CB-CG 3.95Å; L233-W267 HydrophobicContact CD1-CB 4.1Å; L233-W267 HydrophobicContact CD1-CD2 4.28Å; L233-W267 HydrophobicContact CD1-CE3 4.29Å; L233-W267 HydrophobicContact CD1-CG 4.22Å; L233-W267 HydrophobicContact CD2-CB 3.95Å; L233-W267 HydrophobicContact CD2-CG 4.13Å; L233-W267 HydrophobicContact CG-CB 4.44Å; L233-W267 HydrophobicContact CG-CG 4.33Å; T234-W267 PolarHBondContact O-NE1 3.17Å; H236-W267 HydrophobicContact CB-CH2 4.02Å; H236-W267 HydrophobicContact CB-CZ2 4.3Å; H236-W267 AromaticContact ND1-CH2 3.83Å; H236-W267 AromaticContact ND1-CZ2 3.89Å; F254-W267 CarbonylContact C-O 3.52Å; F254-W267 WeakPolarHBondContact CA-O 3.35Å; F254-W267 WeakPolarHBondContact CB-O 3.44Å; V255-W267 HydrophobicContact CG1-CE3 4.41Å; V255-W267 PolarHBondContact N-O 2.87Å; V255-W267 PolarHBondContact O-N 2.63Å; Y265-W267 HydrophobicContact CG-CH2 4.24Å; Y265-W267 HydrophobicContact CG-CZ2 4.39Å; Y265-W267 WeakPolarHBondContact O-CZ3 3.49Å; W267-T269 PolarHBondContact O-N 3.03Å; W267-E273 CarbonylContact C-O 3.58Å; W267-E273 WeakPolarHBondContact CA-O 3.23Å; W267-E273 WeakPolarHBondContact CB-O 3.26Å
268K97.1Very high96.3Very high58 Ų5831.9 Ų31.925%0.25217%0.173SC..EExtended strand (participates in β ladder)trans-71.1123.8166.4-175.4178.1178.5-158.20108.9F254 E270 T271 G272 E273 V275F254-K268 HydrophobicContact CD1-CB 4.33Å; F254-K268 HydrophobicContact CE1-CB 4.33Å; K268-E270 VanDerWaalsContact C-N 3.3Å; K268-E270 VanDerWaalsContact CE-OE2 3.31Å; K268-E270 WeakPolarHBondContact CE-OE2 3.3Å; K268-E270 IonicContact NZ-OE2 2.93Å; K268-E270 PolarHBondContact NZ-OE2 2.75Å; K268-E270 PolarHBondContact O-N 3.17Å; K268-T271 WeakPolarHBondContact CB-OG1 3.1Å; K268-T271 HydrophobicContact CD-CG2 3.95Å; K268-T271 PolarHBondContact O-N 3.23Å; K268-G272 WeakPolarHBondContact O-CA 3.29Å; K268-G272 PolarHBondContact O-N 2.84Å; K268-E273 PolarHBondContact N-O 2.83Å; K268-V275 HydrophobicContact CB-CG1 4.24Å
269T96.8Very high96.1Very high11 Ų1133.9 Ų33.97%0.06719%0.189CC..THydrogen-bonded Turntrans-55.4-44.2-174.6-60.10000112.2V209 F248 G252 V253 F254 W267V209-T269 HydrophobicContact CG1-CG2 4.41Å; V209-T269 HydrophobicContact CG2-CG2 4.31Å; F248-T269 HydrophobicContact CE1-CG2 3.78Å; G252-T269 WeakPolarHBondContact O-CB 3.42Å; G252-T269 PolarHBondContact O-OG1 2.97Å; V253-T269 WeakPolarHBondContact O-CB 3.32Å; V253-T269 PolarHBondContact O-N 3.11Å; V253-T269 PolarHBondContact O-OG1 3.43Å; F254-T269 PolarHBondContact N-OG1 3.13Å; W267-T269 PolarHBondContact O-N 3.03Å
270E94.3Very high95.4Very high139 Ų13934.6 Ų34.665%0.6520%0.196SC*.THydrogen-bonded Turntrans-70.1-45.5-175.4-177.6-171.9-163.900113.1K231 K268K231-E270 VanDerWaalsContact CE-O 3.23Å; K231-E270 WeakPolarHBondContact CE-O 3.27Å; K268-E270 VanDerWaalsContact C-N 3.3Å; K268-E270 VanDerWaalsContact CE-OE2 3.31Å; K268-E270 WeakPolarHBondContact CE-OE2 3.3Å; K268-E270 IonicContact NZ-OE2 2.93Å; K268-E270 PolarHBondContact NZ-OE2 2.75Å; K268-E270 PolarHBondContact O-N 3.17Å
271T95.2Very high94.5Very high59 Ų5941 Ų4136%0.36222%0.221SC..THydrogen-bonded Turntrans-94-25.6-171.463.10000112.4K231 K268 E273K231-T271 WeakPolarHBondContact CD-O 3.15Å; K231-T271 WeakPolarHBondContact CE-O 3.32Å; K268-T271 WeakPolarHBondContact CB-OG1 3.1Å; K268-T271 HydrophobicContact CD-CG2 3.95Å; K268-T271 PolarHBondContact O-N 3.23Å; T271-E273 PolarHBondContact O-N 3.37Å; T271-E273 VanDerWaalsContact OG1-CB 3.29Å; T271-E273 WeakPolarHBondContact OG1-CB 3.34Å; T271-E273 PolarHBondContact OG1-N 2.87Å
272G96Very high93.5Very high19 Ų1946 Ų4620%0.19625%0.248CC..  trans74.27.6-170.200000114L233 K268L233-G272 VanDerWaalsContact CD2-CA 3.47Å; K268-G272 WeakPolarHBondContact O-CA 3.29Å; K268-G272 PolarHBondContact O-N 2.84Å
273E96.6Very high92.2Very high107 Ų10749.6 Ų49.650%0.529%0.285SS..  trans-67.1133.4177.4-176.7-174.7174.400110.4W267 K268 T271 V275W267-E273 CarbonylContact C-O 3.58Å; W267-E273 WeakPolarHBondContact CA-O 3.23Å; W267-E273 WeakPolarHBondContact CB-O 3.26Å; K268-E273 PolarHBondContact N-O 2.83Å; T271-E273 PolarHBondContact O-N 3.37Å; T271-E273 VanDerWaalsContact OG1-CB 3.29Å; T271-E273 WeakPolarHBondContact OG1-CB 3.34Å; T271-E273 PolarHBondContact OG1-N 2.87Å; E273-V275 HydrophobicContact CB-CG1 4.42Å; E273-V275 HydrophobicContact CG-CG1 4.2Å; E273-V275 PolarHBondContact O-N 2.82Å
274N95.9Very high91.1Very high65 Ų6552.6 Ų52.635%0.34830%0.304SS..EExtended strand (participates in β ladder)trans-76.7117.7170.6-176-45.2000109.2Y265 F266Y265-N274 WeakPolarHBondContact CD1-ND2 3.47Å; F266-N274 WeakPolarHBondContact O-CA 2.98Å
275V96.5Very high90.2Very high5 Ų553.9 Ų53.93%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-111.6-22.7-168.4-65.60000113.8Q5 R9 F254 F266 K268 E273Q5-V275 HydrophobicContact CG-CB 4.19Å; Q5-V275 HydrophobicContact CG-CG1 4.33Å; Q5-V275 VanDerWaalsContact NE2-CG1 3.35Å; R9-V275 PolarHBondContact NE-O 2.91Å; R9-V275 VanDerWaalsContact NE-O 3.13Å; R9-V275 PolarHBondContact NH2-O 2.84Å; F254-V275 HydrophobicContact CD1-CG2 3.81Å; F254-V275 HydrophobicContact CE1-CG2 3.85Å; F266-V275 HydrophobicContact CB-CG2 3.87Å; F266-V275 PolarHBondContact O-N 3.04Å; K268-V275 HydrophobicContact CB-CG1 4.24Å; E273-V275 HydrophobicContact CB-CG1 4.42Å; E273-V275 HydrophobicContact CG-CG1 4.2Å; E273-V275 PolarHBondContact O-N 2.82Å
276A95.4Very high89.5Confident8 Ų853.4 Ų53.47%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-160.1156.1-179.100000112.2I8 R9 F266I8-A276 HydrophobicContact CG2-CB 3.69Å; R9-A276 HydrophobicContact CG-CB 3.84Å; F266-A276 HydrophobicContact CB-CB 4.13Å; F266-A276 PolarHBondContact N-O 2.82Å
277V95.3Very high89.3Confident64 Ų6453.8 Ų53.839%0.38832%0.32SS..EExtended strand (participates in β ladder)trans-131.3121.6168.6-175.30000107.2N263 I264 Y265N263-V277 HydrophobicContact CB-CG1 3.75Å; I264-V277 CarbonylContact O-C 3.56Å; I264-V277 WeakPolarHBondContact O-CA 3.48Å; Y265-V277 HydrophobicContact CD1-CG1 4.48Å; Y265-V277 HydrophobicContact CD1-CG2 3.58Å; Y265-V277 HydrophobicContact CE1-CB 4.49Å; Y265-V277 HydrophobicContact CE1-CG1 4.21Å; Y265-V277 HydrophobicContact CE1-CG2 3.44Å; Y265-V277 VanDerWaalsContact CE1-CG2 3.44Å; Y265-V277 HydrophobicContact CE2-CG1 4.31Å; Y265-V277 HydrophobicContact CG-CG2 4.39Å
278L94.9Very high88.7Confident8 Ų858.5 Ų58.54%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-89.1117.6169-51.7-177000108I8 F11 N263 I264 F266 I303 W313I8-L278 WeakPolarHBondContact O-CD2 3.34Å; F11-L278 HydrophobicContact CB-CD1 3.74Å; F11-L278 HydrophobicContact CB-CD2 4.14Å; N263-L278 WeakPolarHBondContact CA-O 3.33Å; I264-L278 HydrophobicContact CB-CB 4.18Å; I264-L278 HydrophobicContact CD1-CD1 4.44Å; I264-L278 PolarHBondContact N-O 3.3Å; I264-L278 PolarHBondContact O-N 2.85Å; F266-L278 HydrophobicContact CD2-CG 4.33Å; F266-L278 HydrophobicContact CE2-CD1 3.61Å; F266-L278 HydrophobicContact CE2-CG 3.74Å; F266-L278 HydrophobicContact CZ-CD1 4.09Å; L278-I303 HydrophobicContact CD1-CD1 3.96Å; L278-W313 HydrophobicContact CB-CE3 4.26Å; L278-W313 HydrophobicContact CB-CH2 4.07Å; L278-W313 HydrophobicContact CB-CZ3 3.83Å; L278-W313 HydrophobicContact CD1-CD2 4.43Å; L278-W313 HydrophobicContact CD1-CE3 4.17Å
279A92.5Very high88.5Confident42 Ų4261.1 Ų61.135%0.34736%0.361SS..  trans-122.3166.8-178.800000110.4N263N263-A279 WeakPolarHBondContact OD1-CA 3.29Å; N263-A279 VanDerWaalsContact OD1-CB 3.31Å; N263-A279 WeakPolarHBondContact OD1-CB 3.46Å
280G83.6Confident88.4Confident14 Ų1462.4 Ų62.414%0.14437%0.37CS..  trans-73.7179170.100000111.3T284G280-T284 WeakPolarHBondContact CA-O 3.37Å; G280-T284 PolarHBondContact N-O 3.22Å
281E77.7Confident88.6Confident161 Ų16155.8 Ų55.875%0.75234%0.339SS*.G310 helixtrans-63.9151.4175.2-64.1-176.7176.500111.4G283 T284E281-G283 PolarHBondContact O-N 2.93Å; E281-G283 VanDerWaalsContact O-N 3.17Å; E281-T284 PolarHBondContact O-N 2.82Å; E281-T284 PolarHBondContact O-OG1 2.78Å
282N72.3Confident88.6Confident161 Ų16156 Ų5686%0.86133%0.333SS*.G310 helixtrans58.528174.2-55.7-48.7000115.1T284N282-T284 PolarHBondContact O-N 3.22Å
283G67.5Low88.7Confident75 Ų7555.3 Ų55.377%0.77333%0.325SS*.G310 helixtrans73.211.5177.800000114E281E281-G283 PolarHBondContact O-N 2.93Å; E281-G283 VanDerWaalsContact O-N 3.17Å
284T74.7Confident88.7Confident84 Ų8450.2 Ų50.252%0.51530%0.301SS..  trans-79.2154.1169.662.30000110.3G280 E281 N282 A286G280-T284 WeakPolarHBondContact CA-O 3.37Å; G280-T284 PolarHBondContact N-O 3.22Å; E281-T284 PolarHBondContact O-N 2.82Å; E281-T284 PolarHBondContact O-OG1 2.78Å; N282-T284 PolarHBondContact O-N 3.22Å; T284-A286 PolarHBondContact O-N 2.91Å
285G78Confident88.8Confident26 Ų2648.8 Ų48.827%0.26829%0.291SS..  trans-56.6138.7170.900000109.9D261 N263 H287D261-G285 WeakPolarHBondContact O-CA 3.45Å; N263-G285 WeakPolarHBondContact OD1-CA 3.32Å; G285-H287 PolarHBondContact O-N 2.9Å
286A83.5Confident88.8Confident15 Ų1549.2 Ų49.212%0.12429%0.293CS..SBendtrans-61.4-24.8175.600000113.2I13 G262 T284 W313I13-A286 HydrophobicContact CD1-CB 4.18Å; G262-A286 WeakPolarHBondContact O-CB 3.3Å; G262-A286 PolarHBondContact O-N 2.9Å; T284-A286 PolarHBondContact O-N 2.91Å; A286-W313 HydrophobicContact CB-CH2 3.23Å; A286-W313 HydrophobicContact CB-CZ2 3.37Å
287H92.5Very high88.8Confident8 Ų848.8 Ų48.84%0.03729%0.289CS..SBendtrans-115.6145.1172.7-73.7-104.3000109.8G262 G285 R289 V291 S305 C307 D309 V311G262-H287 PolarHBondContact O-N 2.93Å; G285-H287 PolarHBondContact O-N 2.9Å; H287-R289 VanDerWaalsContact CB-O 3.3Å; H287-R289 WeakPolarHBondContact CB-O 3.09Å; H287-R289 PolarHBondContact O-N 2.97Å; H287-V291 HydrophobicContact CB-CG2 3.81Å; H287-V291 VanDerWaalsContact CD2-CG2 3.45Å; H287-V291 WeakPolarHBondContact CD2-CG2 3.09Å; H287-S305 PolarHBondContact CE1-O 3.21Å; H287-S305 PolarHBondContact NE2-OG 3.14Å; H287-C307 HydrophobicContact CB-CB 4.42Å; H287-C307 PolarHBondContact ND1-SG 3.09Å; H287-D309 PolarHBondContact CE1-O 2.94Å; H287-V311 WeakPolarHBondContact CE1-CG2 3.34Å; H287-V311 WeakPolarHBondContact NE2-CG2 3.3Å
288S87.5Confident88.7Confident99 Ų9948.8 Ų48.869%0.69229%0.291SS*.SBendtrans-70.4-12.4174.363.70000113.4D309S288-D309 PolarHBondContact OG-OD2 2.85Å
289R92.4Very high88.5Confident113 Ų11352.4 Ų52.443%0.42631%0.313SS..SBendtrans-139.3167.2-175.1-60.9-177.376175.31.4110.1H287 V291 C307H287-R289 VanDerWaalsContact CB-O 3.3Å; H287-R289 WeakPolarHBondContact CB-O 3.09Å; H287-R289 PolarHBondContact O-N 2.97Å; R289-V291 PolarHBondContact O-N 2.86Å; R289-C307 HydrophobicContact CB-CB 3.99Å
290P95.1Very high88.4Confident38 Ų3853.5 Ų53.525%0.24731%0.311CS..  trans-50.7126.2174.8-3238.5000112.9L242 A260 R292 C307L242-P290 HydrophobicContact CD1-CB 3.58Å; L242-P290 HydrophobicContact CD1-CG 3.64Å; A260-P290 HydrophobicContact CB-CB 4.32Å; A260-P290 HydrophobicContact CB-CG 4.23Å; P290-R292 PolarHBondContact O-N 3.4Å; P290-C307 WeakPolarHBondContact O-CB 3.47Å
291V97.1Very high88.9Confident0 Ų054.1 Ų54.10%032%0.315CS..  trans-71.9110.4175.8-177.10000108.4I244 S259 G262 H287 R289 C293I244-V291 WeakPolarHBondContact CG2-O 3.44Å; S259-V291 PolarHBondContact O-N 2.76Å; G262-V291 WeakPolarHBondContact O-CG2 3.41Å; H287-V291 HydrophobicContact CB-CG2 3.81Å; H287-V291 VanDerWaalsContact CD2-CG2 3.45Å; H287-V291 WeakPolarHBondContact CD2-CG2 3.09Å; R289-V291 PolarHBondContact O-N 2.86Å; V291-C293 WeakPolarHBondContact CG1-O 3.47Å
292R96Very high89.8Confident64 Ų6446.7 Ų46.724%0.24228%0.28CS..  trans-91.5-34.2-174-67.6-57.3-56.5-118.7-17.5112.8V23 S243 E245 P290 A306V23-R292 HydrophobicContact CG1-CB 4.5Å; V23-R292 HydrophobicContact CG1-CG 4Å; S243-R292 VanDerWaalsContact CB-NH2 3.31Å; S243-R292 PolarHBondContact O-NE 3.3Å; S243-R292 PolarHBondContact O-NH2 3.36Å; E245-R292 WeakPolarHBondContact CB-O 3.47Å; E245-R292 PolarHBondContact N-O 3.24Å; P290-R292 PolarHBondContact O-N 3.4Å; R292-A306 PolarHBondContact N-O 2.98Å
293C96.8Very high91Very high4 Ų439 Ų393%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-126.1140.5-177.4-59.30000109.6N25 S26 I27 E245 V291 S305 A306N25-C293 PolarHBondContact O-SG 2.94Å; N25-C293 VanDerWaalsContact O-SG 3.36Å; S26-C293 PolarHBondContact N-SG 3.09Å; I27-C293 HydrophobicContact CB-CB 4.4Å; I27-C293 HydrophobicContact CD1-CB 3.53Å; I27-C293 HydrophobicContact CG1-CB 3.63Å; E245-C293 WeakPolarHBondContact OE2-CA 3.42Å; E245-C293 WeakPolarHBondContact OE2-CB 3.45Å; V291-C293 WeakPolarHBondContact CG1-O 3.47Å; C293-S305 CarbonylContact O-C 3.45Å; C293-S305 VanDerWaalsContact O-CA 3.24Å; C293-S305 WeakPolarHBondContact O-CA 3.13Å; C293-A306 HydrophobicContact CB-CB 4.5Å; C293-A306 PolarHBondContact N-O 3.23Å; C293-A306 PolarHBondContact O-N 2.9Å
294V97.9Very high92.4Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-151.3133.4171.966.90000110.6E245 S247 L256 I264 I303 V304E245-V294 WeakPolarHBondContact O-CG1 3.46Å; S247-V294 PolarHBondContact OG-O 2.89Å; L256-V294 HydrophobicContact CD1-CG2 3.58Å; L256-V294 HydrophobicContact CG-CG1 4.39Å; L256-V294 HydrophobicContact CG-CG2 4.21Å; I264-V294 HydrophobicContact CD1-CG2 4.21Å; I264-V294 HydrophobicContact CG2-CG2 4.05Å; V294-I303 HydrophobicContact CG2-CG2 3.83Å; V294-V304 CarbonylContact C-O 3.59Å; V294-V304 VanDerWaalsContact CA-O 3.29Å; V294-V304 WeakPolarHBondContact CA-O 3.18Å
295R97.6Very high93.5Very high36 Ų3631.5 Ų31.514%0.13618%0.178CC..EExtended strand (participates in β ladder)trans-143.7150176.4-68.1-158.9172.4-166.69.9111.9I27 D28 F29 R70 E245 I303 V304I27-R295 WeakPolarHBondContact O-CD 3.47Å; I27-R295 VanDerWaalsContact O-CZ 3.3Å; I27-R295 PolarHBondContact O-NE 2.81Å; D28-R295 IonicContact OD1-CZ 3.59Å; D28-R295 IonicContact OD1-NH1 3.17Å; D28-R295 PolarHBondContact OD1-NH1 2.99Å; F29-R295 HydrophobicContact CD2-CB 4.1Å; F29-R295 HydrophobicContact CE2-CB 3.75Å; R70-R295 VanDerWaalsContact CZ-NH2 3.32Å; E245-R295 IonicContact OE1-CZ 3.34Å; E245-R295 IonicContact OE1-NE 3.55Å; E245-R295 PolarHBondContact OE1-NE 2.83Å; E245-R295 IonicContact OE1-NH2 3.77Å; E245-R295 PolarHBondContact OE1-NH2 3.28Å; R295-I303 WeakPolarHBondContact O-CA 3.26Å; R295-V304 PolarHBondContact N-O 2.81Å; R295-V304 PolarHBondContact O-N 3.31Å
296F96.8Very high94.4Very high13 Ų1330.2 Ų30.26%0.05717%0.165CC..EExtended strand (participates in β ladder)trans-100.6134.9170.5-154.4-61.7000108.5M1 L3 F11 T249 P250 L256 H300 I303M1-F296 HydrophobicContact CE-CE1 3.5Å; M1-F296 HydrophobicContact CE-CZ 3.61Å; L3-F296 HydrophobicContact CD1-CD2 4.38Å; L3-F296 HydrophobicContact CD1-CE1 4.39Å; L3-F296 HydrophobicContact CD1-CE2 3.59Å; L3-F296 HydrophobicContact CD1-CZ 3.6Å; L3-F296 HydrophobicContact CD2-CZ 4.17Å; L3-F296 HydrophobicContact CG-CZ 4.49Å; F11-F296 HydrophobicContact CE1-CZ 4.41Å; F11-F296 HydrophobicContact CE2-CE2 4.17Å; F11-F296 HydrophobicContact CE2-CZ 4.14Å; F11-F296 AromaticContact CZ-CE2 3.87Å; F11-F296 HydrophobicContact CZ-CE2 3.87Å; F11-F296 AromaticContact CZ-CZ 3.56Å; F11-F296 HydrophobicContact CZ-CZ 3.56Å; T249-F296 HydrophobicContact CG2-CD2 3.84Å; T249-F296 HydrophobicContact CG2-CE2 4.15Å; P250-F296 HydrophobicContact CG-CD1 3.51Å; P250-F296 HydrophobicContact CG-CE1 3.98Å; P250-F296 HydrophobicContact CG-CG 4.19Å; L256-F296 HydrophobicContact CD2-CB 4.4Å; F296-H300 WeakPolarHBondContact CE1-O 3.24Å; F296-I303 HydrophobicContact CD2-CD1 3.95Å; F296-I303 HydrophobicContact CD2-CG1 3.34Å; F296-I303 HydrophobicContact CE2-CD1 3.85Å; F296-I303 HydrophobicContact CE2-CG1 3.59Å; F296-I303 HydrophobicContact CG-CG1 3.96Å; F296-I303 HydrophobicContact CZ-CG1 4.38Å
297S95.9Very high95Very high0 Ų029.6 Ų29.60%016%0.16CC..  trans-61.4133.8176.6176.20000111.2F29 P250 T299 H300 L302F29-S297 VanDerWaalsContact CZ-CA 3.47Å; P250-S297 WeakPolarHBondContact CG-O 3.32Å; S297-T299 PolarHBondContact O-N 2.89Å; S297-T299 VanDerWaalsContact O-N 3.16Å; S297-T299 PolarHBondContact OG-N 3.01Å; S297-H300 WeakPolarHBondContact CB-O 3.43Å; S297-H300 PolarHBondContact OG-N 3.42Å; S297-L302 WeakPolarHBondContact CB-O 3.27Å; S297-L302 PolarHBondContact N-O 2.9Å
298P92.8Very high95.1Very high64 Ų6432.7 Ų32.742%0.41617%0.173SC..SBendtrans-64.7-21.6-179.326.2-34.4000113.3F29F29-P298 HydrophobicContact CB-CG 4.34Å
299T91.1Very high95.4Very high83 Ų8328.9 Ų28.951%0.50915%0.145SC..SBendtrans-126.9-14.2-170.256.40000114.8G32 G33 S297G32-T299 WeakPolarHBondContact O-CG2 3.2Å; G32-T299 PolarHBondContact O-OG1 2.78Å; G33-T299 VanDerWaalsContact CA-OG1 3.31Å; G33-T299 WeakPolarHBondContact CA-OG1 3.43Å; S297-T299 PolarHBondContact O-N 2.89Å; S297-T299 VanDerWaalsContact O-N 3.16Å; S297-T299 PolarHBondContact OG-N 3.01Å
300H90.7Very high95.6Very high65 Ų6523.5 Ų23.530%0.30113%0.125SC..SBendtrans-122.3154.8-177.3-62.673.2000111.1G33 F296 S297 L302G33-H300 PolarHBondContact O-ND1 2.6Å; F296-H300 WeakPolarHBondContact CE1-O 3.24Å; S297-H300 WeakPolarHBondContact CB-O 3.43Å; S297-H300 PolarHBondContact OG-N 3.42Å; H300-L302 HydrophobicContact CB-CB 4.11Å; H300-L302 PolarHBondContact O-N 3.16Å
301A93.3Very high95.7Very high27 Ų2721.8 Ų21.822%0.22311%0.114CC..SBendtrans-73.767.9166.600000110.4M1 M7 F11 P315M1-A301 HydrophobicContact CE-CB 3.98Å; M1-A301 HydrophobicContact SD-CB 3.74Å; M7-A301 HydrophobicContact CE-CB 4.29Å; F11-A301 WeakPolarHBondContact CE1-O 3.37Å; F11-A301 HydrophobicContact CZ-CB 4.12Å; A301-P315 HydrophobicContact CB-CG 3.8Å; A301-P315 WeakPolarHBondContact O-CD 3.35Å
302L95.6Very high95.7Very high6 Ų622 Ų223%0.03111%0.114CC..  trans-136.7121.2-175.3171.964.3000108.9F29 C50 S297 H300 V304 M312 W313 V314F29-L302 HydrophobicContact CE1-CD2 4Å; F29-L302 HydrophobicContact CZ-CD2 4.35Å; F29-L302 HydrophobicContact CZ-CG 4.44Å; C50-L302 HydrophobicContact CB-CD2 3.71Å; S297-L302 WeakPolarHBondContact CB-O 3.27Å; S297-L302 PolarHBondContact N-O 2.9Å; H300-L302 HydrophobicContact CB-CB 4.11Å; H300-L302 PolarHBondContact O-N 3.16Å; L302-V304 HydrophobicContact CD1-CG2 4.07Å; L302-V304 HydrophobicContact CD2-CG2 4.4Å; L302-V304 HydrophobicContact CG-CG2 4.1Å; L302-M312 HydrophobicContact CD1-CB 3.84Å; L302-M312 HydrophobicContact CD1-CG 4.19Å; L302-M312 HydrophobicContact CD1-SD 4.39Å; L302-W313 WeakPolarHBondContact CA-O 3.22Å; L302-W313 WeakPolarHBondContact CD1-O 3.49Å; L302-V314 HydrophobicContact CD1-CG1 4.2Å
303I97.3Very high95.7Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-103.2143165-61.9151.8000107.3F11 L256 I264 F266 L278 V294 R295 F296 W313F11-I303 HydrophobicContact CB-CD1 4.35Å; F11-I303 HydrophobicContact CD1-CD1 3.62Å; F11-I303 HydrophobicContact CD1-CG1 4.19Å; F11-I303 HydrophobicContact CD2-CD1 4.04Å; F11-I303 HydrophobicContact CE1-CD1 3.8Å; F11-I303 HydrophobicContact CE1-CG1 3.99Å; F11-I303 HydrophobicContact CE2-CD1 4.23Å; F11-I303 HydrophobicContact CG-CD1 3.74Å; F11-I303 HydrophobicContact CZ-CD1 4.11Å; F11-I303 HydrophobicContact CZ-CG1 4.41Å; L256-I303 HydrophobicContact CD1-CD1 4.48Å; L256-I303 HydrophobicContact CD1-CG1 4.22Å; L256-I303 HydrophobicContact CD1-CG2 3.81Å; I264-I303 HydrophobicContact CD1-CG2 4.2Å; F266-I303 HydrophobicContact CE1-CD1 4.38Å; F266-I303 HydrophobicContact CE2-CD1 4.49Å; F266-I303 HydrophobicContact CZ-CD1 3.61Å; L278-I303 HydrophobicContact CD1-CD1 3.96Å; V294-I303 HydrophobicContact CG2-CG2 3.83Å; R295-I303 WeakPolarHBondContact O-CA 3.26Å; F296-I303 HydrophobicContact CD2-CD1 3.95Å; F296-I303 HydrophobicContact CD2-CG1 3.34Å; F296-I303 HydrophobicContact CE2-CD1 3.85Å; F296-I303 HydrophobicContact CE2-CG1 3.59Å; F296-I303 HydrophobicContact CG-CG1 3.96Å; F296-I303 HydrophobicContact CZ-CG1 4.38Å; I303-W313 HydrophobicContact CB-CB 4.05Å; I303-W313 HydrophobicContact CB-CG 4.34Å; I303-W313 PolarHBondContact N-O 2.79Å; I303-W313 PolarHBondContact O-N 2.93Å
304V97.8Very high95.6Very high0 Ų021.2 Ų21.20%012%0.117CC..EExtended strand (participates in β ladder)trans-126135.1165.5-175.60000109.7I27 F29 M36 V294 R295 L302 T310 V311 M312I27-V304 HydrophobicContact CD1-CG1 4.13Å; F29-V304 HydrophobicContact CZ-CG2 4.18Å; M36-V304 HydrophobicContact CE-CB 3.39Å; M36-V304 HydrophobicContact CE-CG1 3.98Å; M36-V304 HydrophobicContact CE-CG2 3.07Å; M36-V304 HydrophobicContact SD-CB 3.69Å; M36-V304 HydrophobicContact SD-CG1 3.53Å; M36-V304 VanDerWaalsContact SD-CG1 3.53Å; M36-V304 HydrophobicContact SD-CG2 3.59Å; M36-V304 VanDerWaalsContact SD-CG2 3.59Å; V294-V304 CarbonylContact C-O 3.59Å; V294-V304 VanDerWaalsContact CA-O 3.29Å; V294-V304 WeakPolarHBondContact CA-O 3.18Å; R295-V304 PolarHBondContact N-O 2.81Å; R295-V304 PolarHBondContact O-N 3.31Å; L302-V304 HydrophobicContact CD1-CG2 4.07Å; L302-V304 HydrophobicContact CD2-CG2 4.4Å; L302-V304 HydrophobicContact CG-CG2 4.1Å; V304-T310 HydrophobicContact CG1-CG2 3.52Å; V304-V311 VanDerWaalsContact CA-O 3.3Å; V304-V311 WeakPolarHBondContact CA-O 3.39Å; V304-V311 WeakPolarHBondContact CG1-O 3.47Å; V304-M312 HydrophobicContact CG2-CB 4.45Å; V304-M312 HydrophobicContact CG2-CG 3.83Å
305S98Very high95.4Very high0 Ų022.9 Ų22.90%013%0.127CC..EExtended strand (participates in β ladder)trans-124.2150.9172.853.10000110I264 H287 C293 V311 W313I264-S305 WeakPolarHBondContact CD1-OG 3.32Å; H287-S305 PolarHBondContact CE1-O 3.21Å; H287-S305 PolarHBondContact NE2-OG 3.14Å; C293-S305 CarbonylContact O-C 3.45Å; C293-S305 VanDerWaalsContact O-CA 3.24Å; C293-S305 WeakPolarHBondContact O-CA 3.13Å; S305-V311 PolarHBondContact N-O 3.06Å; S305-V311 PolarHBondContact O-N 3.1Å; S305-W313 PolarHBondContact OG-NE1 3.13Å
306A97.5Very high95.1Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-142.2145.4178.100000113.6V24 I27 R292 C293 D309V24-A306 HydrophobicContact CB-CB 3.67Å; V24-A306 HydrophobicContact CG1-CB 3.6Å; V24-A306 HydrophobicContact CG2-CB 4.21Å; I27-A306 HydrophobicContact CD1-CB 3.72Å; I27-A306 HydrophobicContact CG1-CB 4.31Å; R292-A306 PolarHBondContact N-O 2.98Å; C293-A306 HydrophobicContact CB-CB 4.5Å; C293-A306 PolarHBondContact N-O 3.23Å; C293-A306 PolarHBondContact O-N 2.9Å; A306-D309 CarbonylContact C-O 3.55Å; A306-D309 WeakPolarHBondContact CA-O 3.34Å
307C94.7Very high94.1Very high2 Ų233.3 Ų33.31%0.01418%0.183CC..SBendtrans-124.6-110.6164.167.70000108.7V24 H287 R289 P290 D309V24-C307 WeakPolarHBondContact CB-O 3.35Å; V24-C307 PolarHBondContact N-O 3.05Å; H287-C307 HydrophobicContact CB-CB 4.42Å; H287-C307 PolarHBondContact ND1-SG 3.09Å; R289-C307 HydrophobicContact CB-CB 3.99Å; P290-C307 WeakPolarHBondContact O-CB 3.47Å; C307-D309 PolarHBondContact N-O 3.11Å
308K94.6Very high92.4Very high72 Ų7243.2 Ų43.231%0.31324%0.236SC..SBendtrans-75.4-35.9156.7-176.8176.5172.6175.90110.8N20 T21N20-K308 VanDerWaalsContact CB-O 3.24Å; N20-K308 WeakPolarHBondContact CB-O 3.47Å; N20-K308 WeakPolarHBondContact O-CE 3.49Å; N20-K308 WeakPolarHBondContact O-CG 3.48Å; T21-K308 VanDerWaalsContact O-CE 3.31Å; T21-K308 WeakPolarHBondContact O-CE 3.32Å; T21-K308 PolarHBondContact O-NZ 3.28Å
309D94.4Very high92.3Very high20 Ų2042.2 Ų42.211%0.10723%0.227CC..SBendtrans-95.1149.3178.8-42.5-45.9000109.6V16 F17 E18 H287 S288 A306 C307V16-D309 HydrophobicContact CG1-CB 4.34Å; F17-D309 CarbonylContact O-C 3.58Å; F17-D309 WeakPolarHBondContact O-CA 3.19Å; E18-D309 HydrophobicContact CG-CB 4.47Å; H287-D309 PolarHBondContact CE1-O 2.94Å; S288-D309 PolarHBondContact OG-OD2 2.85Å; A306-D309 CarbonylContact C-O 3.55Å; A306-D309 WeakPolarHBondContact CA-O 3.34Å; C307-D309 PolarHBondContact N-O 3.11Å
310T96.7Very high92.4Very high0 Ų040.1 Ų40.10%021%0.213CC..EExtended strand (participates in β ladder)trans-104.9125.5172.3-60.50000109.2F17 T38 V304F17-T310 WeakPolarHBondContact CB-O 3.42Å; F17-T310 PolarHBondContact N-O 3.29Å; F17-T310 PolarHBondContact O-N 3.38Å; T38-T310 HydrophobicContact CG2-CG2 4.19Å; V304-T310 HydrophobicContact CG1-CG2 3.52Å
311V96.7Very high92.5Very high2 Ų238.7 Ų38.71%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-121.2124.6-173.6-178.90000110.2I13 K15 V16 H287 V304 S305 W313I13-V311 HydrophobicContact CB-CG1 4.39Å; I13-V311 HydrophobicContact CD1-CG1 4.37Å; I13-V311 HydrophobicContact CG1-CG1 3.96Å; I13-V311 HydrophobicContact CG2-CG1 3.87Å; K15-V311 WeakPolarHBondContact O-CA 3.49Å; V16-V311 HydrophobicContact CG1-CG2 4.25Å; V16-V311 HydrophobicContact CG2-CG1 4.47Å; V16-V311 HydrophobicContact CG2-CG2 4.27Å; H287-V311 WeakPolarHBondContact CE1-CG2 3.34Å; H287-V311 WeakPolarHBondContact NE2-CG2 3.3Å; V304-V311 VanDerWaalsContact CA-O 3.3Å; V304-V311 WeakPolarHBondContact CA-O 3.39Å; V304-V311 WeakPolarHBondContact CG1-O 3.47Å; S305-V311 PolarHBondContact N-O 3.06Å; S305-V311 PolarHBondContact O-N 3.1Å; V311-W313 HydrophobicContact CG1-CD2 4.41Å; V311-W313 HydrophobicContact CG1-CZ2 4.01Å
312M96.6Very high92.4Very high3 Ų339.4 Ų39.42%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-97.6134173.7-65.3-170.7174.400110.8S14 K15 F17 Y48 L302 V304S14-M312 PolarHBondContact N-O 3.46Å; K15-M312 HydrophobicContact CB-CB 4.18Å; K15-M312 PolarHBondContact N-O 2.88Å; K15-M312 PolarHBondContact O-N 2.91Å; F17-M312 HydrophobicContact CE2-CE 3.9Å; F17-M312 HydrophobicContact CE2-CG 4Å; F17-M312 HydrophobicContact CE2-SD 3.88Å; F17-M312 HydrophobicContact CZ-CE 4.47Å; Y48-M312 HydrophobicContact CD1-CE 4.13Å; Y48-M312 HydrophobicContact CG-CE 3.98Å; L302-M312 HydrophobicContact CD1-CB 3.84Å; L302-M312 HydrophobicContact CD1-CG 4.19Å; L302-M312 HydrophobicContact CD1-SD 4.39Å; V304-M312 HydrophobicContact CG2-CB 4.45Å; V304-M312 HydrophobicContact CG2-CG 3.83Å
313W96.7Very high92.2Very high2 Ų241.4 Ų41.41%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-119.2131.9-179.1-50.673.4000110.1F11 A12 I13 I264 L278 A286 L302 I303 S305 V311F11-W313 HydrophobicContact CB-CB 4.37Å; F11-W313 HydrophobicContact CD1-CB 3.83Å; F11-W313 WeakPolarHBondContact CD1-O 3.05Å; F11-W313 WeakPolarHBondContact CE1-O 3.41Å; A12-W313 VanDerWaalsContact O-CA 3.23Å; A12-W313 WeakPolarHBondContact O-CA 3.23Å; I13-W313 HydrophobicContact CD1-CH2 3.93Å; I13-W313 HydrophobicContact CD1-CZ2 4.35Å; I13-W313 HydrophobicContact CD1-CZ3 4.31Å; I13-W313 HydrophobicContact CG1-CD2 4.26Å; I13-W313 HydrophobicContact CG1-CE3 3.86Å; I13-W313 HydrophobicContact CG1-CH2 3.49Å; I13-W313 VanDerWaalsContact CG1-CH2 3.49Å; I13-W313 HydrophobicContact CG1-CZ2 3.9Å; I13-W313 HydrophobicContact CG1-CZ3 3.45Å; I13-W313 VanDerWaalsContact CG1-CZ3 3.45Å; I264-W313 HydrophobicContact CD1-CD2 4.34Å; I264-W313 HydrophobicContact CD1-CZ2 3.83Å; L278-W313 HydrophobicContact CB-CE3 4.26Å; L278-W313 HydrophobicContact CB-CH2 4.07Å; L278-W313 HydrophobicContact CB-CZ3 3.83Å; L278-W313 HydrophobicContact CD1-CD2 4.43Å; L278-W313 HydrophobicContact CD1-CE3 4.17Å; A286-W313 HydrophobicContact CB-CH2 3.23Å; A286-W313 HydrophobicContact CB-CZ2 3.37Å; L302-W313 WeakPolarHBondContact CA-O 3.22Å; L302-W313 WeakPolarHBondContact CD1-O 3.49Å; I303-W313 HydrophobicContact CB-CB 4.05Å; I303-W313 HydrophobicContact CB-CG 4.34Å; I303-W313 PolarHBondContact N-O 2.79Å; I303-W313 PolarHBondContact O-N 2.93Å; S305-W313 PolarHBondContact OG-NE1 3.13Å; V311-W313 HydrophobicContact CG1-CD2 4.41Å; V311-W313 HydrophobicContact CG1-CZ2 4.01Å
314V95.1Very high91.9Very high51 Ų5144.2 Ų44.231%0.30923%0.232SC..EExtended strand (participates in β ladder)trans-129.9149.8175.6-56.10000108.8F11 A12 L302 V316F11-V314 WeakPolarHBondContact CA-O 3.26Å; A12-V314 PolarHBondContact N-O 3.04Å; A12-V314 PolarHBondContact O-N 3.46Å; A12-V314 VanDerWaalsContact O-N 3.13Å; L302-V314 HydrophobicContact CD1-CG1 4.2Å; V314-V316 PolarHBondContact O-N 3.37Å
315P93.9Very high91.5Very high35 Ų3547.4 Ų47.423%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-63.7134.9173.429-34.7000109.5M7 A10 F11 A301M7-P315 HydrophobicContact CE-CB 4.1Å; M7-P315 HydrophobicContact CE-CG 3.88Å; M7-P315 HydrophobicContact SD-CB 3.72Å; M7-P315 HydrophobicContact SD-CG 4.19Å; A10-P315 HydrophobicContact CB-CB 4.31Å; A10-P315 WeakPolarHBondContact O-CA 3.47Å; F11-P315 HydrophobicContact CZ-CG 4.5Å; A301-P315 HydrophobicContact CB-CG 3.8Å; A301-P315 WeakPolarHBondContact O-CD 3.35Å
316V90.5Very high91Very high83 Ų8351 Ų5150%0.50327%0.268SS..PPolyproline II helixtrans-95.2124.3168.5-176.70000106.6A10 A12 V314A10-V316 PolarHBondContact O-N 3.44Å; A12-V316 HydrophobicContact CB-CG2 3.6Å; V314-V316 PolarHBondContact O-N 3.37Å
317E76.4Confident90.4Very high184 Ų18455.3 Ų55.386%0.8629%0.29SS*.PPolyproline II helixtrans-69.4131.3168.3-66-177.7174.700108.1
318D59.1Low90.1Very high209 Ų20960.1 Ų60.1100%1.11832%0.316SS*.  trans-58.10170.6-76.4-32.2000111.9H6H6-D318 IonicContact CE1-OD2 2.68Å

Retrieved 318 of 318 residues in 1252.7 ms (Link to these results)

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