LIS1_SCHMA Loading...

Lissencephaly-1 homolog

Positively regulates the activity of the minus-end directed microtubule motor protein dynein. May enhance dynein-mediated microtubule sliding by targeting dynein to the microtubule plus end. Required for several dynein- and microtubule-dependent processes.

AlphaFold DB , UniProt , Accession C4Q0P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 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
1M47.6Very low74.4Confident232 Ų232110.5 Ų110.5100%1.14355%0.547SS*.  0104.10-151.2-177.3-121.200107.1L3M1-L3 PolarHBondContact O-N 3.27Å
2V58.1Low75.2Confident152 Ų152103.5 Ų103.592%0.92151%0.514SS*.  trans-80.4100.5179.6-178.80000106.9
3L66.9Low75.8Confident81 Ų81101.5 Ų101.542%0.42450%0.497SS..  trans-61.6135.2172.5-78.7152.4000108.6M1 Q7 K8 L11M1-L3 PolarHBondContact O-N 3.27Å; L3-Q7 HydrophobicContact CB-CB 4.48Å; L3-Q7 HydrophobicContact CD2-CB 3.85Å; L3-K8 HydrophobicContact CB-CB 4.42Å; L3-L11 HydrophobicContact CD1-CD2 4.22Å
4A81.4Confident76.4Confident54 Ų5494.2 Ų94.245%0.44646%0.461SS..  trans-59146169.800000109.2R6 Q7 K8A4-R6 PolarHBondContact O-N 3.04Å; A4-R6 VanDerWaalsContact O-N 3.09Å; A4-Q7 HydrophobicContact CB-CG 4.26Å; A4-Q7 WeakPolarHBondContact O-CA 3.42Å; A4-Q7 WeakPolarHBondContact O-CB 3.48Å; A4-Q7 PolarHBondContact O-N 2.82Å; A4-K8 PolarHBondContact O-N 3.09Å
5Q78.4Confident76.9Confident119 Ų11990.9 Ų90.956%0.55645%0.446SS*.Hα-helixtrans-51.1-41.6-175.1-177.261.916.900112.7Q7 K8 E9Q5-Q7 PolarHBondContact O-N 3.08Å; Q5-K8 WeakPolarHBondContact O-CB 3.43Å; Q5-K8 PolarHBondContact O-N 3.11Å; Q5-E9 PolarHBondContact NE2-OE1 3.24Å; Q5-E9 VanDerWaalsContact NE2-OE1 3.13Å; Q5-E9 PolarHBondContact O-N 2.89Å
6R80.1Confident77.4Confident180 Ų18085.4 Ų85.468%0.67942%0.42SS*.Hα-helixtrans-60.8-42.6174.9-176.3178.3174.6164.52.5113.5A4 K8 E9 E10A4-R6 PolarHBondContact O-N 3.04Å; A4-R6 VanDerWaalsContact O-N 3.09Å; R6-K8 VanDerWaalsContact C-N 3.32Å; R6-E9 PolarHBondContact O-N 2.93Å; R6-E10 IonicContact NE-OE1 2.87Å; R6-E10 WeakPolarHBondContact O-CG 3.42Å; R6-E10 PolarHBondContact O-N 3.02Å
7Q79.9Confident77.7Confident103 Ų10381.5 Ų81.548%0.48140%0.4SS..Hα-helixtrans-68.2-36.1178.6-66.3174.6-33.700111.2L3 A4 Q5 L11L3-Q7 HydrophobicContact CB-CB 4.48Å; L3-Q7 HydrophobicContact CD2-CB 3.85Å; A4-Q7 HydrophobicContact CB-CG 4.26Å; A4-Q7 WeakPolarHBondContact O-CA 3.42Å; A4-Q7 WeakPolarHBondContact O-CB 3.48Å; A4-Q7 PolarHBondContact O-N 2.82Å; Q5-Q7 PolarHBondContact O-N 3.08Å; Q7-L11 WeakPolarHBondContact O-CB 3.19Å; Q7-L11 PolarHBondContact O-N 3.4Å
8K80.4Confident78.1Confident102 Ų10281.8 Ų81.844%0.44340%0.397SS..Hα-helixtrans-62.6-45.3174.2-172.3-176.6178.3-174.80111L3 A4 Q5 R6 L11 N12L3-K8 HydrophobicContact CB-CB 4.42Å; A4-K8 PolarHBondContact O-N 3.09Å; Q5-K8 WeakPolarHBondContact O-CB 3.43Å; Q5-K8 PolarHBondContact O-N 3.11Å; R6-K8 VanDerWaalsContact C-N 3.32Å; K8-L11 PolarHBondContact O-N 3.37Å; K8-N12 WeakPolarHBondContact O-CB 3.39Å; K8-N12 PolarHBondContact O-N 2.91Å; K8-N12 PolarHBondContact O-OD1 3.15Å
9E81.5Confident78.5Confident87 Ų8779 Ų7941%0.40738%0.384SS..Hα-helixtrans-64.1-43.9176.9-74.5169.2-161.900112.8Q5 R6 L11 N12 R13Q5-E9 PolarHBondContact NE2-OE1 3.24Å; Q5-E9 VanDerWaalsContact NE2-OE1 3.13Å; Q5-E9 PolarHBondContact O-N 2.89Å; R6-E9 PolarHBondContact O-N 2.93Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.03Å; E9-N12 PolarHBondContact O-N 3.4Å; E9-R13 WeakPolarHBondContact O-CG 3.44Å; E9-R13 PolarHBondContact O-N 3.18Å
10E81.3Confident78.7Confident52 Ų5281.2 Ų81.224%0.24339%0.392CS..Hα-helixtrans-62-39.9175.4-74.1-179.1-178.400112.2R6 A14 Y45R6-E10 IonicContact NE-OE1 2.87Å; R6-E10 WeakPolarHBondContact O-CG 3.42Å; R6-E10 PolarHBondContact O-N 3.02Å; E10-A14 PolarHBondContact O-N 2.8Å; E10-A14 VanDerWaalsContact O-N 3.09Å; E10-Y45 HydrophobicContact CB-CE1 4.25Å; E10-Y45 HydrophobicContact CG-CE1 4.11Å
11L82.4Confident78.9Confident53 Ų5380.7 Ų80.728%0.27740%0.401SS..Hα-helixtrans-65.4-45.4175.6-177.666.9000111.1L3 Q7 K8 E9 R13 A14 I15 L49L3-L11 HydrophobicContact CD1-CD2 4.22Å; Q7-L11 WeakPolarHBondContact O-CB 3.19Å; Q7-L11 PolarHBondContact O-N 3.4Å; K8-L11 PolarHBondContact O-N 3.37Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.03Å; L11-R13 VanDerWaalsContact C-N 3.32Å; L11-R13 PolarHBondContact O-N 3.45Å; L11-A14 PolarHBondContact O-N 3.32Å; L11-I15 HydrophobicContact CD1-CD1 4.37Å; L11-I15 HydrophobicContact CG-CD1 3.96Å; L11-I15 WeakPolarHBondContact O-CG1 3.19Å; L11-I15 PolarHBondContact O-N 3.07Å; L11-L49 HydrophobicContact CD1-CD1 4.22Å
12N84.6Confident80.8Confident27 Ų2773 Ų7314%0.14437%0.365CS..Hα-helixtrans-59.8-42.6178.1-70.3-8000111.2K8 E9 I15 A16 F31 L37K8-N12 WeakPolarHBondContact O-CB 3.39Å; K8-N12 PolarHBondContact O-N 2.91Å; K8-N12 PolarHBondContact O-OD1 3.15Å; E9-N12 PolarHBondContact O-N 3.4Å; N12-I15 PolarHBondContact O-N 3.01Å; N12-A16 PolarHBondContact O-N 3.27Å; N12-F31 HydrophobicContact CB-CE1 4.13Å; N12-F31 HydrophobicContact CB-CZ 4.08Å; N12-F31 WeakPolarHBondContact O-CE1 3.19Å; N12-L37 HydrophobicContact CB-CD1 3.98Å; N12-L37 HydrophobicContact CB-CD2 4.24Å; N12-L37 HydrophobicContact CB-CG 4.35Å
13R83.2Confident82Confident77 Ų7768.2 Ų68.229%0.29135%0.346SS..Hα-helixtrans-62.7-41.9175.3-71.7-179.7-174.8-103.5-2.8112.5E9 L11 A16 D17 L37 Y45E9-R13 WeakPolarHBondContact O-CG 3.44Å; E9-R13 PolarHBondContact O-N 3.18Å; L11-R13 VanDerWaalsContact C-N 3.32Å; L11-R13 PolarHBondContact O-N 3.45Å; R13-A16 PolarHBondContact O-N 2.88Å; R13-D17 PolarHBondContact O-N 3.46Å; R13-L37 HydrophobicContact CG-CD2 3.74Å; R13-Y45 HydrophobicContact CB-CD1 4.02Å; R13-Y45 HydrophobicContact CB-CD2 4.13Å; R13-Y45 HydrophobicContact CB-CE1 4.21Å; R13-Y45 HydrophobicContact CB-CE2 4.33Å; R13-Y45 HydrophobicContact CB-CG 3.98Å
14A84Confident82.9Confident0 Ų070.8 Ų70.80%035%0.351CS..Hα-helixtrans-66-35.7177.200000113E10 L11 Y18 L48 L49E10-A14 PolarHBondContact O-N 2.8Å; E10-A14 VanDerWaalsContact O-N 3.09Å; L11-A14 PolarHBondContact O-N 3.32Å; A14-Y18 PolarHBondContact O-N 2.87Å; A14-Y18 VanDerWaalsContact O-N 3.08Å; A14-L48 HydrophobicContact CB-CB 4.21Å; A14-L48 HydrophobicContact CB-CD2 4.32Å; A14-L48 HydrophobicContact CB-CG 4.47Å; A14-L49 HydrophobicContact CB-CB 4.15Å
15I83.8Confident83Confident45 Ų4572.1 Ų72.123%0.23135%0.354CS..Hα-helixtrans-67.1-45174.2-67166.9000110.6L11 N12 D17 Y18 L19 F31 L49L11-I15 HydrophobicContact CD1-CD1 4.37Å; L11-I15 HydrophobicContact CG-CD1 3.96Å; L11-I15 WeakPolarHBondContact O-CG1 3.19Å; L11-I15 PolarHBondContact O-N 3.07Å; N12-I15 PolarHBondContact O-N 3.01Å; I15-D17 VanDerWaalsContact C-N 3.31Å; I15-D17 PolarHBondContact O-N 3.43Å; I15-Y18 PolarHBondContact O-N 3.49Å; I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 3.1Å; I15-F31 HydrophobicContact CB-CE1 4.11Å; I15-F31 HydrophobicContact CB-CZ 3.97Å; I15-F31 HydrophobicContact CD1-CZ 4.16Å; I15-F31 HydrophobicContact CG2-CD1 4.34Å; I15-F31 HydrophobicContact CG2-CD2 4.35Å; I15-F31 HydrophobicContact CG2-CE1 4Å; I15-F31 HydrophobicContact CG2-CE2 3.99Å; I15-F31 HydrophobicContact CG2-CZ 3.8Å; I15-L49 HydrophobicContact CG1-CD1 4.05Å; I15-L49 HydrophobicContact CG1-CD2 4.26Å
16A84.1Confident83.3Confident3 Ų375.6 Ų75.63%0.02537%0.367CS..Hα-helixtrans-60.5-41.3177.200000111.9N12 R13 L19 F20 L28 F31 L37N12-A16 PolarHBondContact O-N 3.27Å; R13-A16 PolarHBondContact O-N 2.88Å; A16-L19 PolarHBondContact O-N 3.5Å; A16-F20 WeakPolarHBondContact O-CB 3.33Å; A16-F20 PolarHBondContact O-N 3.43Å; A16-L28 HydrophobicContact CB-CD1 3.8Å; A16-L28 WeakPolarHBondContact O-CD1 3.42Å; A16-F31 HydrophobicContact CB-CD1 4.37Å; A16-F31 HydrophobicContact CB-CE1 4.48Å; A16-L37 HydrophobicContact CB-CD1 4.17Å
17D83.6Confident83.6Confident18 Ų1869.2 Ų69.210%0.09635%0.353CS..Hα-helixtrans-62.1-48.5174.6-178.564.1000112.3R13 I15 L19 F20 A21 D46 G47R13-D17 PolarHBondContact O-N 3.46Å; I15-D17 VanDerWaalsContact C-N 3.31Å; I15-D17 PolarHBondContact O-N 3.43Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 3.11Å; D17-F20 CarbonylContact O-C 3.54Å; D17-F20 WeakPolarHBondContact O-CB 3.23Å; D17-F20 PolarHBondContact O-N 3.32Å; D17-F20 VanDerWaalsContact O-N 3.07Å; D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 3.43Å; D17-D46 VanDerWaalsContact OD2-CA 3.31Å; D17-D46 WeakPolarHBondContact OD2-CA 3.31Å; D17-G47 PolarHBondContact OD2-N 3.39Å
18Y84.3Confident83.8Confident88 Ų8864.6 Ų64.635%0.34533%0.331SS..Hα-helixtrans-60.2-40.4177.9178.6-95.4000113.1A14 I15 F20 N22 L49 E50A14-Y18 PolarHBondContact O-N 2.87Å; A14-Y18 VanDerWaalsContact O-N 3.08Å; I15-Y18 PolarHBondContact O-N 3.49Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; Y18-N22 VanDerWaalsContact CD2-ND2 3.33Å; Y18-N22 WeakPolarHBondContact CD2-ND2 3.43Å; Y18-N22 WeakPolarHBondContact CE1-ND2 3.33Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.47Å; Y18-N22 WeakPolarHBondContact O-CB 3.06Å; Y18-N22 PolarHBondContact O-N 2.99Å; Y18-N22 VanDerWaalsContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 2.62Å; Y18-L49 HydrophobicContact CD1-CD2 3.96Å; Y18-L49 HydrophobicContact CD2-CD2 4.2Å; Y18-L49 HydrophobicContact CG-CD2 3.65Å; Y18-E50 HydrophobicContact CD2-CG 3.91Å; Y18-E50 HydrophobicContact CE2-CG 3.99Å
19L85Confident83.9Confident28 Ų2863.8 Ų63.815%0.14733%0.332CS..Hα-helixtrans-65.3-37.9175.7-71174.1000111.5I15 A16 D17 G23 Y24 A27 L28 F31I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 3.1Å; A16-L19 PolarHBondContact O-N 3.5Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 3.11Å; L19-G23 PolarHBondContact O-N 3.26Å; L19-Y24 HydrophobicContact CD2-CD2 4.19Å; L19-Y24 HydrophobicContact CD2-CG 4.47Å; L19-Y24 PolarHBondContact O-N 3.48Å; L19-A27 HydrophobicContact CD1-CB 4.4Å; L19-A27 HydrophobicContact CD2-CB 4.07Å; L19-L28 HydrophobicContact CB-CB 4.16Å; L19-L28 HydrophobicContact CB-CD1 4.18Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CG 4.31Å
20F83.9Confident84.1Confident122 Ų12262 Ų6254%0.53533%0.332SS..Hα-helixtrans-67.9-48.6175.6-177-101.9000111.9A16 D17 Y18 N22 G23 L28A16-F20 WeakPolarHBondContact O-CB 3.33Å; A16-F20 PolarHBondContact O-N 3.43Å; D17-F20 CarbonylContact O-C 3.54Å; D17-F20 WeakPolarHBondContact O-CB 3.23Å; D17-F20 PolarHBondContact O-N 3.32Å; D17-F20 VanDerWaalsContact O-N 3.07Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; F20-N22 VanDerWaalsContact C-N 3.28Å; F20-N22 PolarHBondContact O-N 3.27Å; F20-G23 PolarHBondContact O-N 2.93Å; F20-L28 HydrophobicContact CB-CD2 3.89Å; F20-L28 HydrophobicContact CD2-CD2 3.75Å; F20-L28 HydrophobicContact CG-CD2 4.3Å
21A83.4Confident84.3Confident71 Ų7161.4 Ų61.459%0.58733%0.329SS*.Hα-helixtrans-60.8-35-179.100000112.9D17 G23D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 3.43Å; A21-G23 VanDerWaalsContact C-N 3.34Å
22N85.7Confident84.4Confident71 Ų7163.3 Ų63.338%0.3833%0.332SS..THydrogen-bonded Turntrans-89.16.8176.9-69.9-62.6000114.3Y18 F20 Y24Y18-N22 VanDerWaalsContact CD2-ND2 3.33Å; Y18-N22 WeakPolarHBondContact CD2-ND2 3.43Å; Y18-N22 WeakPolarHBondContact CE1-ND2 3.33Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.47Å; Y18-N22 WeakPolarHBondContact O-CB 3.06Å; Y18-N22 PolarHBondContact O-N 2.99Å; Y18-N22 VanDerWaalsContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 2.62Å; F20-N22 VanDerWaalsContact C-N 3.28Å; F20-N22 PolarHBondContact O-N 3.27Å; N22-Y24 VanDerWaalsContact C-N 3.31Å; N22-Y24 HydrophobicContact CB-CD2 3.54Å; N22-Y24 HydrophobicContact CB-CE2 3.45Å; N22-Y24 VanDerWaalsContact CB-CE2 3.45Å; N22-Y24 PolarHBondContact O-N 3.4Å
23G84.5Confident84.3Confident52 Ų5269.9 Ų69.954%0.53636%0.362SS..THydrogen-bonded Turntrans73.115.5176.100000115.3L19 F20 A21 V25L19-G23 PolarHBondContact O-N 3.26Å; F20-G23 PolarHBondContact O-N 2.93Å; A21-G23 VanDerWaalsContact C-N 3.34Å; G23-V25 PolarHBondContact O-N 3.32Å
24Y85.9Confident84.3Confident135 Ų13574.1 Ų74.153%0.52939%0.385SS..  trans-80.859.1178.7-62.7-61000112.4L19 N22 K26 A27 L28L19-Y24 HydrophobicContact CD2-CD2 4.19Å; L19-Y24 HydrophobicContact CD2-CG 4.47Å; L19-Y24 PolarHBondContact O-N 3.48Å; N22-Y24 VanDerWaalsContact C-N 3.31Å; N22-Y24 HydrophobicContact CB-CD2 3.54Å; N22-Y24 HydrophobicContact CB-CE2 3.45Å; N22-Y24 VanDerWaalsContact CB-CE2 3.45Å; N22-Y24 PolarHBondContact O-N 3.4Å; Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.96Å; Y24-A27 PolarHBondContact O-N 2.97Å; Y24-A27 VanDerWaalsContact O-N 3.15Å; Y24-L28 PolarHBondContact O-N 3.31Å
25V82.9Confident83.9Confident82 Ų8275.3 Ų75.350%0.49739%0.393SS..Hα-helixtrans-58-38.7-172.6-177.70000113.3G23 L28 N29G23-V25 PolarHBondContact O-N 3.32Å; V25-L28 PolarHBondContact O-N 3.45Å; V25-N29 PolarHBondContact O-N 3.13Å
26K85.7Confident83.5Confident191 Ų19181.6 Ų81.683%0.8342%0.422SS*.Hα-helixtrans-64.3-45.5178.1-70.1-175.5179.9179.70112.1Y24 L28 N29 A30Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.96Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-N29 PolarHBondContact O-N 3.11Å; K26-A30 PolarHBondContact O-N 3.34Å
27A85.9Confident82.8Confident47 Ų4783.2 Ų83.239%0.38843%0.43SS..Hα-helixtrans-67.5-37.9177.900000111L19 Y24 N29 A30 F31L19-A27 HydrophobicContact CD1-CB 4.4Å; L19-A27 HydrophobicContact CD2-CB 4.07Å; Y24-A27 PolarHBondContact O-N 2.97Å; Y24-A27 VanDerWaalsContact O-N 3.15Å; A27-N29 PolarHBondContact O-N 2.95Å; A27-A30 PolarHBondContact O-N 3.29Å; A27-F31 WeakPolarHBondContact O-CB 3.33Å; A27-F31 PolarHBondContact O-N 3.08Å
28L83.6Confident81.6Confident5 Ų586.5 Ų86.53%0.02646%0.46CS..Hα-helixtrans-59.4-46.3175.4179.764.6000112.2A16 L19 F20 Y24 V25 K26 F31 R32A16-L28 HydrophobicContact CB-CD1 3.8Å; A16-L28 WeakPolarHBondContact O-CD1 3.42Å; L19-L28 HydrophobicContact CB-CB 4.16Å; L19-L28 HydrophobicContact CB-CD1 4.18Å; F20-L28 HydrophobicContact CB-CD2 3.89Å; F20-L28 HydrophobicContact CD2-CD2 3.75Å; F20-L28 HydrophobicContact CG-CD2 4.3Å; Y24-L28 PolarHBondContact O-N 3.31Å; V25-L28 PolarHBondContact O-N 3.45Å; K26-L28 VanDerWaalsContact C-N 3.33Å; L28-F31 PolarHBondContact O-N 2.98Å; L28-R32 HydrophobicContact CD1-CG 4.41Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 WeakPolarHBondContact O-CG 3.34Å; L28-R32 PolarHBondContact O-N 3.35Å
29N82.5Confident80.5Confident86 Ų8685.1 Ų85.146%0.4647%0.472SS..Hα-helixtrans-66.3-45.8-179.2-71.8-11.7000111.6V25 K26 A27 F31 R32 E33V25-N29 PolarHBondContact O-N 3.13Å; K26-N29 PolarHBondContact O-N 3.11Å; A27-N29 PolarHBondContact O-N 2.95Å; N29-F31 VanDerWaalsContact C-N 3.32Å; N29-F31 PolarHBondContact O-N 3.35Å; N29-R32 PolarHBondContact O-N 2.94Å; N29-E33 PolarHBondContact O-N 3.48Å; N29-E33 VanDerWaalsContact O-N 3.1Å
30A86.2Confident79.2Confident48 Ų4892.5 Ų92.540%0.39751%0.506SS..Hα-helixtrans-59.4-43.9174.500000111.6K26 A27 R32 E33 E34K26-A30 PolarHBondContact O-N 3.34Å; A27-A30 PolarHBondContact O-N 3.29Å; A30-R32 PolarHBondContact O-N 3.16Å; A30-E33 PolarHBondContact O-N 3.45Å; A30-E34 PolarHBondContact O-N 3.46Å; A30-E34 VanDerWaalsContact O-N 3.11Å
31F85.7Confident78Confident41 Ų4190 Ų9018%0.1850%0.498CS..Hα-helixtrans-65.4-38178.6-173.4-97.7000112.4N12 I15 A16 L19 A27 L28 N29 E34 S35 L37N12-F31 HydrophobicContact CB-CE1 4.13Å; N12-F31 HydrophobicContact CB-CZ 4.08Å; N12-F31 WeakPolarHBondContact O-CE1 3.19Å; I15-F31 HydrophobicContact CB-CE1 4.11Å; I15-F31 HydrophobicContact CB-CZ 3.97Å; I15-F31 HydrophobicContact CD1-CZ 4.16Å; I15-F31 HydrophobicContact CG2-CD1 4.34Å; I15-F31 HydrophobicContact CG2-CD2 4.35Å; I15-F31 HydrophobicContact CG2-CE1 4Å; I15-F31 HydrophobicContact CG2-CE2 3.99Å; I15-F31 HydrophobicContact CG2-CZ 3.8Å; A16-F31 HydrophobicContact CB-CD1 4.37Å; A16-F31 HydrophobicContact CB-CE1 4.48Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CG 4.31Å; A27-F31 WeakPolarHBondContact O-CB 3.33Å; A27-F31 PolarHBondContact O-N 3.08Å; L28-F31 PolarHBondContact O-N 2.98Å; N29-F31 VanDerWaalsContact C-N 3.32Å; N29-F31 PolarHBondContact O-N 3.35Å; F31-E34 PolarHBondContact O-N 3.22Å; F31-S35 VanDerWaalsContact O-CB 3.23Å; F31-S35 WeakPolarHBondContact O-CB 3.45Å; F31-S35 PolarHBondContact O-N 3.14Å; F31-S35 PolarHBondContact O-OG 3.02Å; F31-L37 HydrophobicContact CE1-CD1 4.15Å
32R83Confident77.1Confident92 Ų9290.9 Ų90.935%0.34749%0.493SS..Hα-helixtrans-64.6-39.1176.1-81.7-179171.3-178.9-2.8112.3L28 N29 A30 Q36 N41L28-R32 HydrophobicContact CD1-CG 4.41Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 WeakPolarHBondContact O-CG 3.34Å; L28-R32 PolarHBondContact O-N 3.35Å; N29-R32 PolarHBondContact O-N 2.94Å; A30-R32 PolarHBondContact O-N 3.16Å; R32-Q36 PolarHBondContact O-N 3.18Å; R32-N41 PolarHBondContact NH2-OD1 2.9Å
33E82.6Confident76.4Confident166 Ų16698 Ų9878%0.77651%0.514SS*.Hα-helixtrans-64.2-45.7175.1-73.4-175.5171.600111.6N29 A30N29-E33 PolarHBondContact O-N 3.48Å; N29-E33 VanDerWaalsContact O-N 3.1Å; A30-E33 PolarHBondContact O-N 3.45Å
34E83.6Confident75.9Confident165 Ų165102.2 Ų102.277%0.77152%0.518SS*.Hα-helixtrans-69.1-35.4179.6-72.3-176.3174.300113.5A30 F31A30-E34 PolarHBondContact O-N 3.46Å; A30-E34 VanDerWaalsContact O-N 3.11Å; F31-E34 PolarHBondContact O-N 3.22Å
35S76.1Confident75.1Confident25 Ų2597.2 Ų97.218%0.17550%0.498CS..Hα-helixtrans-89.8-4.3-17360.80000114.7F31 L37F31-S35 VanDerWaalsContact O-CB 3.23Å; F31-S35 WeakPolarHBondContact O-CB 3.45Å; F31-S35 PolarHBondContact O-N 3.14Å; F31-S35 PolarHBondContact O-OG 3.02Å; S35-L37 PolarHBondContact O-N 3.09Å; S35-L37 VanDerWaalsContact O-N 3.11Å; S35-L37 VanDerWaalsContact OG-CD1 3.31Å; S35-L37 WeakPolarHBondContact OG-CD1 3.46Å; S35-L37 WeakPolarHBondContact OG-CG 3.45Å
36Q75.6Confident74.5Confident178 Ų17897.4 Ų97.483%0.83250%0.497SS*.THydrogen-bonded Turntrans49.632.8-176.4-60.2-178.1-1.200113.2R32 A38R32-Q36 PolarHBondContact O-N 3.18Å; Q36-A38 PolarHBondContact O-N 3.34Å; Q36-A38 VanDerWaalsContact O-N 3.09Å
37L68.2Low74.2Confident37 Ų3789.4 Ų89.419%0.19447%0.468CS..  trans-73.9100.3-179.8-78.1171.8000110.4N12 R13 A16 F31 S35N12-L37 HydrophobicContact CB-CD1 3.98Å; N12-L37 HydrophobicContact CB-CD2 4.24Å; N12-L37 HydrophobicContact CB-CG 4.35Å; R13-L37 HydrophobicContact CG-CD2 3.74Å; A16-L37 HydrophobicContact CB-CD1 4.17Å; F31-L37 HydrophobicContact CE1-CD1 4.15Å; S35-L37 PolarHBondContact O-N 3.09Å; S35-L37 VanDerWaalsContact O-N 3.11Å; S35-L37 VanDerWaalsContact OG-CD1 3.31Å; S35-L37 WeakPolarHBondContact OG-CD1 3.46Å; S35-L37 WeakPolarHBondContact OG-CG 3.45Å
38A58.9Low74Confident87 Ų8789.3 Ų89.372%0.71946%0.461SS*.  trans-92.1125.4167.900000110.8Q36Q36-A38 PolarHBondContact O-N 3.34Å; Q36-A38 VanDerWaalsContact O-N 3.09Å
39G61.6Low73.9Confident59 Ų5990.7 Ų90.761%0.60847%0.468SS*.SBendtrans131.8152.2169.800000114.8
40E57.7Low73.8Confident183 Ų18391.5 Ų91.586%0.85547%0.469SS*.  trans-59.8150176-76.4-176.9141.800112.3D42E40-D42 PolarHBondContact O-N 3.36Å; E40-D42 VanDerWaalsContact O-N 3.08Å
41N59.7Low73.6Confident68 Ų6895.9 Ų95.936%0.36448%0.479SS..  trans-60.9110.8174.2-80.56.9000109R32R32-N41 PolarHBondContact NH2-OD1 2.9Å
42D63.6Low73.5Confident91 Ų9197.8 Ų97.849%0.48749%0.487SS..  trans-80.9126.3173.7-164.60.3000108.4E40 K44 Y45E40-D42 PolarHBondContact O-N 3.36Å; E40-D42 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact O-N 2.98Å; D42-Y45 HydrophobicContact CB-CD2 3.99Å; D42-Y45 HydrophobicContact CB-CE2 4.01Å; D42-Y45 WeakPolarHBondContact O-CD2 3.42Å; D42-Y45 PolarHBondContact O-N 3.02Å
43R71.4Confident73.5Confident219 Ų219101.1 Ų101.183%0.82650%0.5SS*.G310 helixtrans-54-15.1-177.9-73-177177.3177.7-0.8113.8Y45 D46R43-Y45 PolarHBondContact O-N 3.39Å; R43-D46 PolarHBondContact O-N 3Å
44K72.6Confident73.3Confident141 Ų14197.5 Ų97.561%0.61349%0.489SS*.G310 helixtrans-60.8-25.7175.7-172.1177.7177.1-1740113.5D42D42-K44 PolarHBondContact O-N 2.98Å
45Y69.4Low73.1Confident30 Ų3092.3 Ų92.312%0.11847%0.472CS..G310 helixtrans-96.3-6.3-174.9-59.9-77.1000113.9E10 R13 D42 R43 G47 L48E10-Y45 HydrophobicContact CB-CE1 4.25Å; E10-Y45 HydrophobicContact CG-CE1 4.11Å; R13-Y45 HydrophobicContact CB-CD1 4.02Å; R13-Y45 HydrophobicContact CB-CD2 4.13Å; R13-Y45 HydrophobicContact CB-CE1 4.21Å; R13-Y45 HydrophobicContact CB-CE2 4.33Å; R13-Y45 HydrophobicContact CB-CG 3.98Å; D42-Y45 HydrophobicContact CB-CD2 3.99Å; D42-Y45 HydrophobicContact CB-CE2 4.01Å; D42-Y45 WeakPolarHBondContact O-CD2 3.42Å; D42-Y45 PolarHBondContact O-N 3.02Å; R43-Y45 PolarHBondContact O-N 3.39Å; Y45-G47 PolarHBondContact O-N 3Å; Y45-L48 HydrophobicContact CD1-CD2 3.87Å; Y45-L48 HydrophobicContact CE1-CD2 4.49Å; Y45-L48 WeakPolarHBondContact O-CB 3.18Å; Y45-L48 PolarHBondContact O-N 2.86Å
46D71.3Confident73.4Confident87 Ų8794.4 Ų94.447%0.46548%0.483SS..THydrogen-bonded Turntrans-55.9118.3-178.8-67.715.8000111.7D17 R43 L48D17-D46 VanDerWaalsContact OD2-CA 3.31Å; D17-D46 WeakPolarHBondContact OD2-CA 3.31Å; R43-D46 PolarHBondContact O-N 3Å; D46-L48 PolarHBondContact O-N 3.27Å; D46-L48 VanDerWaalsContact O-N 3.14Å
47G78.1Confident73.6Confident22 Ų2290.1 Ų90.123%0.22747%0.465CS..THydrogen-bonded Turntrans66.510.9179.200000114.6D17 Y45 L49 E50 K51D17-G47 PolarHBondContact OD2-N 3.39Å; Y45-G47 PolarHBondContact O-N 3Å; G47-L49 VanDerWaalsContact C-N 3.32Å; G47-L49 PolarHBondContact O-N 3.46Å; G47-E50 PolarHBondContact O-N 3.09Å; G47-K51 WeakPolarHBondContact O-CG 3.42Å; G47-K51 PolarHBondContact O-N 2.85Å; G47-K51 VanDerWaalsContact O-N 3.16Å
48L81.6Confident74.1Confident46 Ų4692.3 Ų92.324%0.24147%0.471CS..Hα-helixtrans-65.9-36.9-179-174.864.6000111.7A14 Y45 D46 K52A14-L48 HydrophobicContact CB-CB 4.21Å; A14-L48 HydrophobicContact CB-CD2 4.32Å; A14-L48 HydrophobicContact CB-CG 4.47Å; Y45-L48 HydrophobicContact CD1-CD2 3.87Å; Y45-L48 HydrophobicContact CE1-CD2 4.49Å; Y45-L48 WeakPolarHBondContact O-CB 3.18Å; Y45-L48 PolarHBondContact O-N 2.86Å; D46-L48 PolarHBondContact O-N 3.27Å; D46-L48 VanDerWaalsContact O-N 3.14Å; L48-K52 HydrophobicContact CG-CD 4.36Å; L48-K52 WeakPolarHBondContact O-CB 3.37Å; L48-K52 WeakPolarHBondContact O-CG 3.33Å; L48-K52 PolarHBondContact O-N 3.23Å
49L82Confident75.2Confident34 Ų3492.7 Ų92.718%0.17846%0.46CS..Hα-helixtrans-64.4-45.5178.8-172.270.3000111.1L11 A14 I15 Y18 G47 K52 W53L11-L49 HydrophobicContact CD1-CD1 4.22Å; A14-L49 HydrophobicContact CB-CB 4.15Å; I15-L49 HydrophobicContact CG1-CD1 4.05Å; I15-L49 HydrophobicContact CG1-CD2 4.26Å; Y18-L49 HydrophobicContact CD1-CD2 3.96Å; Y18-L49 HydrophobicContact CD2-CD2 4.2Å; Y18-L49 HydrophobicContact CG-CD2 3.65Å; G47-L49 VanDerWaalsContact C-N 3.32Å; G47-L49 PolarHBondContact O-N 3.46Å; L49-K52 PolarHBondContact O-N 3.43Å; L49-W53 VanDerWaalsContact O-CB 3.31Å; L49-W53 WeakPolarHBondContact O-CB 3.27Å; L49-W53 PolarHBondContact O-N 2.84Å
50E80.8Confident76.3Confident103 Ų10395.5 Ų95.548%0.48146%0.458SS..Hα-helixtrans-60.3-49.6179-63.8175.5158.100110.4Y18 G47 K52 W53 T54Y18-E50 HydrophobicContact CD2-CG 3.91Å; Y18-E50 HydrophobicContact CE2-CG 3.99Å; G47-E50 PolarHBondContact O-N 3.09Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 3.08Å; E50-W53 PolarHBondContact O-N 3.37Å; E50-W53 VanDerWaalsContact O-N 3.08Å; E50-T54 PolarHBondContact O-N 3.28Å; E50-T54 PolarHBondContact O-OG1 2.98Å
51K81.8Confident77.6Confident139 Ų13993.4 Ų93.460%0.60445%0.445SS*.Hα-helixtrans-56.1-46.5176-71.7174.8-176.7170.10112.1G47 W53 T54 S55G47-K51 WeakPolarHBondContact O-CG 3.42Å; G47-K51 PolarHBondContact O-N 2.85Å; G47-K51 VanDerWaalsContact O-N 3.16Å; K51-W53 VanDerWaalsContact C-N 3.35Å; K51-T54 WeakPolarHBondContact CA-OG1 3.44Å; K51-T54 PolarHBondContact O-OG1 2.98Å; K51-S55 PolarHBondContact O-N 3.35Å; K51-S55 PolarHBondContact O-OG 2.8Å
52K83Confident78.6Confident82 Ų8293.5 Ų93.536%0.35744%0.443SS..Hα-helixtrans-63.4-41.4176.5-76.3-176.5177.8-177.80111.2L48 L49 E50 S55 V56L48-K52 HydrophobicContact CG-CD 4.36Å; L48-K52 WeakPolarHBondContact O-CB 3.37Å; L48-K52 WeakPolarHBondContact O-CG 3.33Å; L48-K52 PolarHBondContact O-N 3.23Å; L49-K52 PolarHBondContact O-N 3.43Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 3.08Å; K52-S55 WeakPolarHBondContact O-CB 3.35Å; K52-S55 PolarHBondContact O-N 3.46Å; K52-V56 WeakPolarHBondContact O-CG2 3.45Å; K52-V56 PolarHBondContact O-N 3.03Å
53W83Confident79.6Confident161 Ų16192.7 Ų92.761%0.6144%0.441SS*.Hα-helixtrans-68.2-40.5-179.4-164.5-106.2000112.6L49 E50 K51 S55 V56 I57L49-W53 VanDerWaalsContact O-CB 3.31Å; L49-W53 WeakPolarHBondContact O-CB 3.27Å; L49-W53 PolarHBondContact O-N 2.84Å; E50-W53 PolarHBondContact O-N 3.37Å; E50-W53 VanDerWaalsContact O-N 3.08Å; K51-W53 VanDerWaalsContact C-N 3.35Å; W53-S55 VanDerWaalsContact C-N 3.3Å; W53-S55 PolarHBondContact O-N 3.37Å; W53-V56 PolarHBondContact O-N 3.18Å; W53-V56 VanDerWaalsContact O-N 3.13Å; W53-I57 VanDerWaalsContact CD1-CD1 3.48Å; W53-I57 HydrophobicContact CG-CD1 4.46Å; W53-I57 WeakPolarHBondContact O-CG1 3.05Å; W53-I57 PolarHBondContact O-N 2.96Å
54T79.2Confident80.2Confident90 Ų9087.6 Ų87.655%0.55243%0.428SS*.Hα-helixtrans-58.5-41.9170.827.90000111.8E50 K51 V56 I57 R58E50-T54 PolarHBondContact O-N 3.28Å; E50-T54 PolarHBondContact O-OG1 2.98Å; K51-T54 WeakPolarHBondContact CA-OG1 3.44Å; K51-T54 PolarHBondContact O-OG1 2.98Å; T54-V56 PolarHBondContact O-N 3.48Å; T54-I57 PolarHBondContact O-N 2.69Å; T54-R58 WeakPolarHBondContact O-CB 3.44Å; T54-R58 PolarHBondContact O-N 2.56Å
55S78.9Confident80.7Confident57 Ų5785 Ų8540%0.39942%0.421SS..Hα-helixtrans-63.5-39.9174.2-66.30000112.4K51 K52 W53 R58 L59K51-S55 PolarHBondContact O-N 3.35Å; K51-S55 PolarHBondContact O-OG 2.8Å; K52-S55 WeakPolarHBondContact O-CB 3.35Å; K52-S55 PolarHBondContact O-N 3.46Å; W53-S55 VanDerWaalsContact C-N 3.3Å; W53-S55 PolarHBondContact O-N 3.37Å; S55-R58 PolarHBondContact O-N 3.49Å; S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 VanDerWaalsContact O-CG 3.31Å; S55-L59 WeakPolarHBondContact O-CG 3.35Å; S55-L59 PolarHBondContact O-N 3.16Å
56V82.4Confident81.5Confident69 Ų6988.3 Ų88.342%0.41844%0.44SS..Hα-helixtrans-65.2-46.9176.5170.70000111.3K52 W53 T54 R58 L59 Q60K52-V56 WeakPolarHBondContact O-CG2 3.45Å; K52-V56 PolarHBondContact O-N 3.03Å; W53-V56 PolarHBondContact O-N 3.18Å; W53-V56 VanDerWaalsContact O-N 3.13Å; T54-V56 PolarHBondContact O-N 3.48Å; V56-R58 VanDerWaalsContact C-N 3.31Å; V56-R58 PolarHBondContact O-N 3.14Å; V56-L59 PolarHBondContact O-N 3.28Å; V56-Q60 WeakPolarHBondContact O-CB 3.18Å; V56-Q60 PolarHBondContact O-N 2.99Å
57I81Confident82.3Confident88 Ų8889.3 Ų89.345%0.45144%0.442SS..Hα-helixtrans-59.9-43.3176.3-68.5170.8000110.5W53 T54 Q60 K61W53-I57 VanDerWaalsContact CD1-CD1 3.48Å; W53-I57 HydrophobicContact CG-CD1 4.46Å; W53-I57 WeakPolarHBondContact O-CG1 3.05Å; W53-I57 PolarHBondContact O-N 2.96Å; T54-I57 PolarHBondContact O-N 2.69Å; I57-Q60 PolarHBondContact O-N 3.2Å; I57-K61 WeakPolarHBondContact O-CB 3.46Å; I57-K61 PolarHBondContact O-N 3.05Å
58R77.6Confident82.8Confident82 Ų8291 Ų9131%0.30945%0.453SS..Hα-helixtrans-59.7-47.3176.4-173.3-175.568.9119.2-4.7111.4T54 S55 V56 K61 K62 D150 E157T54-R58 WeakPolarHBondContact O-CB 3.44Å; T54-R58 PolarHBondContact O-N 2.56Å; S55-R58 PolarHBondContact O-N 3.49Å; V56-R58 VanDerWaalsContact C-N 3.31Å; V56-R58 PolarHBondContact O-N 3.14Å; R58-K61 PolarHBondContact O-N 3.15Å; R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.45Å; R58-D150 IonicContact NH1-OD2 3.94Å; R58-D150 PolarHBondContact NH1-OD2 3.15Å; R58-E157 IonicContact NH1-OE1 3.71Å
59L82.7Confident83Confident96 Ų9694.8 Ų94.850%0.50347%0.468SS..Hα-helixtrans-64-41.8177.2-74.8171000111.8S55 V56 K62 V63S55-L59 WeakPolarHBondContact O-CB 3.38Å; S55-L59 VanDerWaalsContact O-CG 3.31Å; S55-L59 WeakPolarHBondContact O-CG 3.35Å; S55-L59 PolarHBondContact O-N 3.16Å; V56-L59 PolarHBondContact O-N 3.28Å; L59-K62 PolarHBondContact O-N 3.14Å; L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.74Å
60Q84.8Confident83.2Confident118 Ų11897.9 Ų97.955%0.55148%0.484SS*.Hα-helixtrans-62.1-45.7177.1-176.5178-7.900111.4V56 I57 K62 V63 M64V56-Q60 WeakPolarHBondContact O-CB 3.18Å; V56-Q60 PolarHBondContact O-N 2.99Å; I57-Q60 PolarHBondContact O-N 3.2Å; Q60-K62 VanDerWaalsContact C-N 3.3Å; Q60-K62 PolarHBondContact O-N 3.41Å; Q60-V63 PolarHBondContact O-N 2.79Å; Q60-M64 HydrophobicContact CG-SD 4.44Å; Q60-M64 WeakPolarHBondContact O-CG 3.22Å; Q60-M64 PolarHBondContact O-N 3.37Å
61K84.3Confident83.6Confident138 Ų13897.1 Ų97.160%0.648%0.483SS*.Hα-helixtrans-59.2-43175-172.9177.8178.5-177.20111.3I57 R58 M64 D65I57-K61 WeakPolarHBondContact O-CB 3.46Å; I57-K61 PolarHBondContact O-N 3.05Å; R58-K61 PolarHBondContact O-N 3.15Å; K61-M64 PolarHBondContact O-N 3.26Å; K61-D65 PolarHBondContact O-N 3.31Å
62K80.9Confident83.8Confident71 Ų7196.1 Ų96.131%0.30948%0.481SS..Hα-helixtrans-63.9-40.2176.5-171.4168.8-172.7165.40112.7R58 L59 Q60 D65 L66R58-K62 WeakPolarHBondContact O-CB 3.46Å; R58-K62 PolarHBondContact O-N 3.45Å; L59-K62 PolarHBondContact O-N 3.14Å; Q60-K62 VanDerWaalsContact C-N 3.3Å; Q60-K62 PolarHBondContact O-N 3.41Å; K62-D65 PolarHBondContact O-N 2.89Å; K62-L66 HydrophobicContact CG-CD1 4.21Å; K62-L66 WeakPolarHBondContact O-CB 3.23Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.16Å
63V85.1Confident83.9Confident73 Ų7394.7 Ų94.744%0.44248%0.484SS..Hα-helixtrans-61.8-46.2174.1169.20000110.1L59 Q60 D65 L66 E67L59-V63 WeakPolarHBondContact O-CG2 3.31Å; L59-V63 PolarHBondContact O-N 2.74Å; Q60-V63 PolarHBondContact O-N 2.79Å; V63-D65 PolarHBondContact O-N 3.26Å; V63-L66 PolarHBondContact O-N 2.94Å; V63-E67 HydrophobicContact CG1-CG 4.24Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.15Å; V63-E67 WeakPolarHBondContact O-CB 3.37Å; V63-E67 WeakPolarHBondContact O-CG 3.46Å; V63-E67 PolarHBondContact O-N 3.44Å
64M83.9Confident84.1Confident112 Ų11292 Ų9255%0.55248%0.478SS*.Hα-helixtrans-60.7-42.6176.7-68.5174.965.700112.5Q60 K61 L66 E67 A68Q60-M64 HydrophobicContact CG-SD 4.44Å; Q60-M64 WeakPolarHBondContact O-CG 3.22Å; Q60-M64 PolarHBondContact O-N 3.37Å; K61-M64 PolarHBondContact O-N 3.26Å; M64-L66 VanDerWaalsContact C-N 3.35Å; M64-E67 PolarHBondContact O-N 3.1Å; M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 3.28Å
65D83.8Confident84.5Confident88 Ų8894.6 Ų94.647%0.47148%0.482SS..Hα-helixtrans-65.4-37.9176.9-70.3-19.2000111.7K61 K62 V63 K69K61-D65 PolarHBondContact O-N 3.31Å; K62-D65 PolarHBondContact O-N 2.89Å; V63-D65 PolarHBondContact O-N 3.26Å; D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 2.93Å; D65-K69 VanDerWaalsContact O-N 3.07Å
66L85.9Confident84.7Confident99 Ų9997.3 Ų97.352%0.51849%0.488SS..Hα-helixtrans-70.5-41.3175.8-74.1172.1000112.2K62 V63 M64 A68 K69 L70K62-L66 HydrophobicContact CG-CD1 4.21Å; K62-L66 WeakPolarHBondContact O-CB 3.23Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.16Å; V63-L66 PolarHBondContact O-N 2.94Å; M64-L66 VanDerWaalsContact C-N 3.35Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 2.86Å; L66-K69 PolarHBondContact O-N 3.22Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 3.18Å
67E88.1Confident84.6Confident107 Ų107100.3 Ų100.350%0.550%0.496SS..Hα-helixtrans-62.2-39.4173.6-74.8174.3171.300111.1V63 M64 L70 N71V63-E67 HydrophobicContact CG1-CG 4.24Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.15Å; V63-E67 WeakPolarHBondContact O-CB 3.37Å; V63-E67 WeakPolarHBondContact O-CG 3.46Å; V63-E67 PolarHBondContact O-N 3.44Å; M64-E67 PolarHBondContact O-N 3.1Å; E67-L70 PolarHBondContact O-N 3.4Å; E67-N71 WeakPolarHBondContact O-CB 3.21Å; E67-N71 VanDerWaalsContact O-CG 3.24Å; E67-N71 PolarHBondContact O-N 3.28Å; E67-N71 PolarHBondContact O-ND2 2.86Å
68A88.3Confident84.6Confident57 Ų57101.6 Ų101.647%0.47150%0.5SS..Hα-helixtrans-62.6-47174.400000111.9M64 L66 N71 E72M64-A68 WeakPolarHBondContact O-CB 3.45Å; M64-A68 PolarHBondContact O-N 3.28Å; L66-A68 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 2.86Å; A68-N71 PolarHBondContact O-N 3.13Å; A68-E72 PolarHBondContact O-N 2.95Å
69K85.7Confident84.8Confident126 Ų126101 Ų10155%0.54851%0.508SS..Hα-helixtrans-64.2-39.6176.1-73.7176-179177.70112.7D65 L66 E72 A73D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 2.93Å; D65-K69 VanDerWaalsContact O-N 3.07Å; L66-K69 PolarHBondContact O-N 3.22Å; K69-E72 PolarHBondContact O-N 3.11Å; K69-A73 WeakPolarHBondContact O-CB 3.18Å; K69-A73 PolarHBondContact O-N 3.46Å
70L86.5Confident84.5Confident100 Ų100101.6 Ų101.652%0.52451%0.51SS..Hα-helixtrans-63.4-46.1176.3-176.367.1000110.5L66 E67 E72 A73 E74L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 PolarHBondContact O-N 3.18Å; E67-L70 PolarHBondContact O-N 3.4Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.3Å; L70-A73 PolarHBondContact O-N 3.21Å; L70-E74 HydrophobicContact CG-CG 4.49Å; L70-E74 WeakPolarHBondContact O-CB 3.42Å; L70-E74 WeakPolarHBondContact O-CG 3.17Å; L70-E74 PolarHBondContact O-N 3.34Å
71N88.5Confident84Confident86 Ų86101.5 Ų101.546%0.4651%0.51SS..Hα-helixtrans-61.4-35.9175.8-77.1-42.6000112.7E67 A68 K75E67-N71 WeakPolarHBondContact O-CB 3.21Å; E67-N71 VanDerWaalsContact O-CG 3.24Å; E67-N71 PolarHBondContact O-N 3.28Å; E67-N71 PolarHBondContact O-ND2 2.86Å; A68-N71 PolarHBondContact O-N 3.13Å; N71-K75 WeakPolarHBondContact O-CB 3.44Å; N71-K75 VanDerWaalsContact O-CG 3.24Å; N71-K75 WeakPolarHBondContact O-CG 3.44Å; N71-K75 PolarHBondContact O-N 3.33Å
72E86.9Confident83.4Confident119 Ų11999.7 Ų99.756%0.55651%0.507SS*.Hα-helixtrans-67.1-48.6174.8-172170.4-154.500111.1A68 K69 L70 E74 K75 E76A68-E72 PolarHBondContact O-N 2.95Å; K69-E72 PolarHBondContact O-N 3.11Å; L70-E72 VanDerWaalsContact C-N 3.29Å; L70-E72 PolarHBondContact O-N 3.3Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 3.05Å; E72-K75 WeakPolarHBondContact O-CB 3.26Å; E72-K75 PolarHBondContact O-N 2.85Å; E72-E76 WeakPolarHBondContact O-CG 3.38Å; E72-E76 PolarHBondContact O-N 3.36Å
73A84.2Confident82.7Confident51 Ų51100 Ų10042%0.42152%0.522SS..Hα-helixtrans-62.3-38.1176.200000112.8K69 L70 E76 F77K69-A73 WeakPolarHBondContact O-CB 3.18Å; K69-A73 PolarHBondContact O-N 3.46Å; L70-A73 PolarHBondContact O-N 3.21Å; A73-E76 PolarHBondContact O-N 2.84Å; A73-F77 WeakPolarHBondContact O-CB 3.37Å; A73-F77 PolarHBondContact O-N 2.98Å
74E87.1Confident81.5Confident104 Ų104103.5 Ų103.549%0.48654%0.537SS..Hα-helixtrans-66.1-40.1174.3-77-178.9175.300111.8L70 E72 F77 Q78L70-E74 HydrophobicContact CG-CG 4.49Å; L70-E74 WeakPolarHBondContact O-CB 3.42Å; L70-E74 WeakPolarHBondContact O-CG 3.17Å; L70-E74 PolarHBondContact O-N 3.34Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 3.05Å; E74-F77 PolarHBondContact O-N 2.81Å; E74-Q78 VanDerWaalsContact O-CB 3.24Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 3.12Å
75K87.4Confident80.1Confident146 Ų146101.1 Ų101.164%0.63554%0.541SS*.Hα-helixtrans-63.8-42.2173.2-76.9171.5-174.8175.30111.8N71 E72 Q78 S79N71-K75 WeakPolarHBondContact O-CB 3.44Å; N71-K75 VanDerWaalsContact O-CG 3.24Å; N71-K75 WeakPolarHBondContact O-CG 3.44Å; N71-K75 PolarHBondContact O-N 3.33Å; E72-K75 WeakPolarHBondContact O-CB 3.26Å; E72-K75 PolarHBondContact O-N 2.85Å; K75-Q78 PolarHBondContact O-N 2.59Å; K75-S79 WeakPolarHBondContact O-CB 3.43Å; K75-S79 PolarHBondContact O-N 2.86Å; K75-S79 PolarHBondContact O-OG 3.39Å
76E83Confident78.3Confident113 Ų113105 Ų10553%0.52855%0.554SS.*Hα-helixtrans-61.4-48.2174.7-73.6-178.7173.500110.7E72 A73 Q78 S79 M80E72-E76 WeakPolarHBondContact O-CG 3.38Å; E72-E76 PolarHBondContact O-N 3.36Å; A73-E76 PolarHBondContact O-N 2.84Å; E76-Q78 VanDerWaalsContact C-N 3.35Å; E76-Q78 PolarHBondContact O-N 2.77Å; E76-S79 WeakPolarHBondContact CA-OG 3.11Å; E76-S79 PolarHBondContact O-N 3.34Å; E76-S79 PolarHBondContact O-OG 3.44Å; E76-M80 WeakPolarHBondContact O-CG 3.44Å; E76-M80 PolarHBondContact O-N 2.87Å
77F81.4Confident75.9Confident133 Ų133104.4 Ų104.458%0.58357%0.572SS**Hα-helixtrans-59.7-43.8176.3-172.2-97000112.2A73 E74 M80 Q81A73-F77 WeakPolarHBondContact O-CB 3.37Å; A73-F77 PolarHBondContact O-N 2.98Å; E74-F77 PolarHBondContact O-N 2.81Å; F77-M80 HydrophobicContact CD2-CE 4.49Å; F77-M80 PolarHBondContact O-N 2.94Å; F77-Q81 WeakPolarHBondContact O-CB 3.26Å; F77-Q81 PolarHBondContact O-N 3.43Å
78Q81.3Confident73.7Confident114 Ų114104.8 Ų104.853%0.53358%0.581SS.*Hα-helixtrans-68.7-36178.2-164.4170.425.100112E74 K75 E76 Q81 N82E74-Q78 VanDerWaalsContact O-CB 3.24Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 3.12Å; K75-Q78 PolarHBondContact O-N 2.59Å; E76-Q78 VanDerWaalsContact C-N 3.35Å; E76-Q78 PolarHBondContact O-N 2.77Å; Q78-Q81 PolarHBondContact O-N 3.12Å; Q78-N82 WeakPolarHBondContact O-CB 3.28Å; Q78-N82 PolarHBondContact O-N 3.36Å; Q78-N82 PolarHBondContact O-ND2 2.8Å
79S81.7Confident71Confident69 Ų69107 Ų10748%0.48360%0.6SS.*Hα-helixtrans-66.4-39.9173.972.90000112K75 E76 N82 A83K75-S79 WeakPolarHBondContact O-CB 3.43Å; K75-S79 PolarHBondContact O-N 2.86Å; K75-S79 PolarHBondContact O-OG 3.39Å; E76-S79 WeakPolarHBondContact CA-OG 3.11Å; E76-S79 PolarHBondContact O-N 3.34Å; E76-S79 PolarHBondContact O-OG 3.44Å; S79-N82 PolarHBondContact O-N 3.45Å; S79-A83 WeakPolarHBondContact O-CB 3.4Å; S79-A83 PolarHBondContact O-N 3.18Å
80M76.8Confident68.5Low109 Ų109104.6 Ų104.654%0.53761%0.61SS.*Hα-helixtrans-64.2-43.4171.3-73.6-170.4-69.100111.5E76 F77 N82 A83 I84E76-M80 WeakPolarHBondContact O-CG 3.44Å; E76-M80 PolarHBondContact O-N 2.87Å; F77-M80 HydrophobicContact CD2-CE 4.49Å; F77-M80 PolarHBondContact O-N 2.94Å; M80-N82 PolarHBondContact O-N 2.85Å; M80-A83 PolarHBondContact O-N 3.32Å; M80-I84 WeakPolarHBondContact O-CD1 3.26Å; M80-I84 VanDerWaalsContact O-CG1 3.27Å; M80-I84 WeakPolarHBondContact O-CG1 3.23Å; M80-I84 PolarHBondContact O-N 2.81Å
81Q73.5Confident66.1Low117 Ų117104.3 Ų104.355%0.54762%0.623SS.*Hα-helixtrans-64.7-39.9178.2-165.5176.48.300111.8F77 Q78 I84 G85F77-Q81 WeakPolarHBondContact O-CB 3.26Å; F77-Q81 PolarHBondContact O-N 3.43Å; Q78-Q81 PolarHBondContact O-N 3.12Å; Q81-I84 PolarHBondContact O-N 3.25Å; Q81-G85 PolarHBondContact O-N 2.73Å
82N72.2Confident63.7Low100 Ų100104.8 Ų104.854%0.53564%0.638SS.*Hα-helixtrans-67-36.4174.7-73.5-22.1000112.2Q78 S79 M80 I84 G85 F86Q78-N82 WeakPolarHBondContact O-CB 3.28Å; Q78-N82 PolarHBondContact O-N 3.36Å; Q78-N82 PolarHBondContact O-ND2 2.8Å; S79-N82 PolarHBondContact O-N 3.45Å; M80-N82 PolarHBondContact O-N 2.85Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 2.89Å; N82-G85 PolarHBondContact O-N 3.34Å; N82-F86 PolarHBondContact O-N 2.78Å
83A66.1Low61.4Low77 Ų77105.5 Ų105.564%0.63665%0.653SS**Hα-helixtrans-65.9-29174.200000112.7S79 M80S79-A83 WeakPolarHBondContact O-CB 3.4Å; S79-A83 PolarHBondContact O-N 3.18Å; M80-A83 PolarHBondContact O-N 3.32Å
84I59.2Low59Low146 Ų146106.5 Ų106.575%0.74967%0.668SS**Hα-helixtrans-82.5-28.4175.3-61.9162.5000111.4M80 Q81 N82M80-I84 WeakPolarHBondContact O-CD1 3.26Å; M80-I84 VanDerWaalsContact O-CG1 3.27Å; M80-I84 WeakPolarHBondContact O-CG1 3.23Å; M80-I84 PolarHBondContact O-N 2.81Å; Q81-I84 PolarHBondContact O-N 3.25Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 2.89Å
85G54.3Low56.7Low63 Ų63106.5 Ų106.565%0.64968%0.68SS**Hα-helixtrans-83.4-19.8-17600000116.4Q81 N82Q81-G85 PolarHBondContact O-N 2.73Å; N82-G85 PolarHBondContact O-N 3.34Å
86F45.9Very low54.1Low170 Ų170103.5 Ų103.575%0.74669%0.691SS**SBendtrans-106.697.9169.9-90.6-89.7000109.6N82 V88N82-F86 PolarHBondContact O-N 2.78Å; F86-V88 VanDerWaalsContact C-N 3.25Å; F86-V88 PolarHBondContact O-N 2.95Å
87G36.6Very low51.9Low86 Ų86106.2 Ų106.289%0.88771%0.708SS**  trans-62.184.6170.200000111.4
88V40.3Very low49.7Very low115 Ų115104.2 Ų104.270%0.69771%0.71SS**  trans-111.996.7166.5-174.40000107.4F86 G90F86-V88 VanDerWaalsContact C-N 3.25Å; F86-V88 PolarHBondContact O-N 2.95Å; V88-G90 PolarHBondContact O-N 3.02Å
89A32.6Very low47.6Very low104 Ų104103.9 Ų103.986%0.8671%0.712SS**  trans-60124.5160.200000108.9
90G32.7Very low45.4Very low74 Ų74110.8 Ų110.876%0.76373%0.728SS**  trans100.480.3161.900000116.1V88V88-G90 PolarHBondContact O-N 3.02Å
91A36.2Very low43.5Very low95 Ų95108.9 Ų108.979%0.78573%0.725SS**  trans-151109.6145.300000108.9
92A38.1Very low42Very low95 Ų95108 Ų10879%0.78572%0.724SS**  trans-58.4132.4172.300000110.2G94A92-G94 PolarHBondContact O-N 3.14Å
93P38.6Very low40.4Very low135 Ų135111.9 Ų111.988%0.87773%0.731SS**  trans-79.971.2169.225.9-20.1000109.3
94G34.3Very low39.4Very low71 Ų71116.4 Ų116.473%0.73273%0.732SS**  trans-104.573.9164.500000109.4A92A92-G94 PolarHBondContact O-N 3.14Å
95S39.4Very low39.1Very low104 Ų104114.2 Ų114.273%0.72772%0.721SS**  trans-153.275.7165.955.30000112.4L97S95-L97 VanDerWaalsContact C-N 3.3Å; S95-L97 PolarHBondContact O-N 2.74Å
96G32.9Very low39.1Very low84 Ų84114.5 Ų114.587%0.86671%0.711SS**  55.29.2116.400000122.8
97L36.9Very low40.1Very low170 Ų170108.3 Ų108.389%0.8969%0.685SS**  trans-148.257.8-176.1-70.3166.5000113.7S95S95-L97 VanDerWaalsContact C-N 3.3Å; S95-L97 PolarHBondContact O-N 2.74Å
98S34.3Very low41.8Very low90 Ų90104.8 Ų104.863%0.62965%0.648SS**  trans-157.3-0.4168.158.50000118.2R100 S101S98-R100 PolarHBondContact O-N 2.79Å; S98-S101 PolarHBondContact O-OG 2.79Å
99D37.7Very low43.7Very low107 Ų107100 Ų10057%0.57262%0.618SS**THydrogen-bonded Turntrans-89.413.1-166.4-155.322.9000115.8
100R35.6Very low46.1Very low215 Ų21595.2 Ų95.281%0.81158%0.579SS**THydrogen-bonded Turntrans-106.9-16.8-179.9-92.4-171.2175.8-1760.3114.9S98 R104S98-R100 PolarHBondContact O-N 2.79Å; R100-R104 PolarHBondContact O-NE 2.95Å
101S35.9Very low48.5Very low69 Ų6996.3 Ų96.348%0.48356%0.559SS.*THydrogen-bonded Turntrans-83.2-46170.741.20000110.4S98 R103 R104S98-S101 PolarHBondContact O-OG 2.79Å; S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.85Å; S101-R104 PolarHBondContact O-N 3.25Å
102D41.6Very low50.8Low97 Ų9795.8 Ų95.852%0.51955%0.548SS..Hα-helixtrans-58.1-39.3-177.5-90.6-14.7000113.4R104 D105 V106D102-R104 PolarHBondContact O-N 3.23Å; D102-D105 PolarHBondContact O-N 3.44Å; D102-V106 WeakPolarHBondContact O-CG2 3.29Å; D102-V106 PolarHBondContact O-N 3.42Å
103R40Very low53.1Low183 Ų18396.9 Ų96.969%0.69155%0.547SS*.Hα-helixtrans-65.1-24.4179.9-74.9-172.2177.3-168.5-0.1114.4S101S101-R103 VanDerWaalsContact C-N 3.31Å; S101-R103 PolarHBondContact O-N 2.85Å
104R45.1Very low55.5Low171 Ų17191.6 Ų91.665%0.64552%0.515SS*.Hα-helixtrans-83.4-34.1-178.3-78.4-174.6-102.6-175.3-3.7112.1R100 S101 D102R100-R104 PolarHBondContact O-NE 2.95Å; S101-R104 PolarHBondContact O-N 3.25Å; D102-R104 PolarHBondContact O-N 3.23Å
105D51.2Low58.1Low100 Ų10092.1 Ų92.154%0.53550%0.497SS..Hα-helixtrans-77.4-27.5178.8-66.7-34.7000112.3D102 D107 A108D102-D105 PolarHBondContact O-N 3.44Å; D105-D107 VanDerWaalsContact C-N 3.28Å; D105-D107 PolarHBondContact O-N 3.5Å; D105-A108 PolarHBondContact O-N 3.42Å
106V56.2Low60.6Low70 Ų7090 Ų9042%0.42448%0.475SS..THydrogen-bonded Turntrans-64.2-29.3-178.8170.80000113.5D102 H356D102-V106 WeakPolarHBondContact O-CG2 3.29Å; D102-V106 PolarHBondContact O-N 3.42Å; V106-H356 PolarHBondContact O-CD2 3.45Å
107D65.1Low63.5Low39 Ų3989.7 Ų89.721%0.20946%0.457CS..THydrogen-bonded Turntrans-114.154.7-179.4-70.4-23000110.3D105 I109 R358D105-D107 VanDerWaalsContact C-N 3.28Å; D105-D107 PolarHBondContact O-N 3.5Å; D107-I109 VanDerWaalsContact C-N 3.27Å; D107-I109 HydrophobicContact CB-CD1 3.99Å; D107-I109 HydrophobicContact CB-CG1 4.42Å; D107-I109 WeakPolarHBondContact O-CG1 3.5Å; D107-I109 PolarHBondContact O-N 3.24Å; D107-R358 VanDerWaalsContact CG-NH1 3.28Å; D107-R358 IonicContact OD1-CZ 2.78Å; D107-R358 IonicContact OD1-NH1 4Å; D107-R358 PolarHBondContact OD1-NH1 2.93Å; D107-R358 IonicContact OD2-CZ 2.94Å; D107-R358 IonicContact OD2-NH1 3.84Å; D107-R358 PolarHBondContact OD2-NH1 2.82Å
108A73.5Confident66.2Low13 Ų1382.3 Ų82.311%0.10742%0.418CS..  trans-63.185.2172.600000110.9D105 H354 P400 C416D105-A108 PolarHBondContact O-N 3.42Å; A108-H354 PolarHBondContact O-CD2 3.22Å; A108-H354 PolarHBondContact O-NE2 3.03Å; A108-P400 HydrophobicContact CB-CB 4.36Å; A108-C416 CarbonylContact C-O 3.58Å; A108-C416 VanDerWaalsContact CA-O 3.23Å; A108-C416 WeakPolarHBondContact CA-O 3.27Å; A108-C416 HydrophobicContact CB-CB 3.87Å
109I80.1Confident68.9Low13 Ų1383 Ų837%0.06742%0.418CS..  trans-111136.1-174.3-63.2163.3000109.3D107 R111 L359 V371 C416D107-I109 VanDerWaalsContact C-N 3.27Å; D107-I109 HydrophobicContact CB-CD1 3.99Å; D107-I109 HydrophobicContact CB-CG1 4.42Å; D107-I109 WeakPolarHBondContact O-CG1 3.5Å; D107-I109 PolarHBondContact O-N 3.24Å; I109-R111 WeakPolarHBondContact O-CG 3.32Å; I109-R111 PolarHBondContact O-N 2.86Å; I109-R111 PolarHBondContact O-NH1 3.31Å; I109-L359 HydrophobicContact CD1-CD1 3.81Å; I109-L359 HydrophobicContact CG1-CD1 3.56Å; I109-V371 HydrophobicContact CD1-CG1 4.49Å; I109-V371 HydrophobicContact CG1-CG1 4.32Å; I109-V371 HydrophobicContact CG2-CB 4.35Å; I109-V371 HydrophobicContact CG2-CG1 4.16Å; I109-V371 HydrophobicContact CG2-CG2 3.66Å; I109-C416 PolarHBondContact N-O 3.27Å; I109-C416 WeakPolarHBondContact O-CA 3.31Å
110P82.8Confident71.4Confident5 Ų579.7 Ų79.73%0.03241%0.41CS..  trans-50.9125174.6-28.936.1000112.5L361 L383 A402 W414P110-L361 HydrophobicContact CG-CD2 3.66Å; P110-L383 HydrophobicContact CB-CD1 4.2Å; P110-L383 WeakPolarHBondContact O-CD1 3.4Å; P110-A402 HydrophobicContact CG-CB 3.71Å; P110-W414 HydrophobicContact CB-CB 3.76Å; P110-W414 HydrophobicContact CB-CG 4.08Å; P110-W414 HydrophobicContact CG-CB 4.5Å
111R83.1Confident74.1Confident96 Ų9670 Ų7036%0.36237%0.374SS..  trans-116.7140.1178.5-73.5-177.1-97.6-80.833.3111.5I109 D415 C416 R417I109-R111 WeakPolarHBondContact O-CG 3.32Å; I109-R111 PolarHBondContact O-N 2.86Å; I109-R111 PolarHBondContact O-NH1 3.31Å; R111-D415 PolarHBondContact N-O 3.04Å; R111-D415 VanDerWaalsContact N-O 3.11Å; R111-C416 PolarHBondContact NH1-O 3.34Å; R111-C416 PolarHBondContact NH2-O 3.4Å; R111-R417 VanDerWaalsContact CZ-C 3.42Å; R111-R417 PolarHBondContact NE-O 3.41Å; R111-R417 PolarHBondContact NH2-O 2.78Å; R111-R417 PolarHBondContact NH2-OXT 3.29Å
112P84Confident76.9Confident85 Ų8577.1 Ų77.155%0.55239%0.39SS*.SBendtrans-76.6153.217031.8-32.5000111W414P112-W414 HydrophobicContact CB-CZ3 4.46Å
113P86.4Confident79.4Confident118 Ų11873.4 Ų73.477%0.76637%0.372SS*.SBendcis-75162.6-3.532.6-35.4000112.5K115P113-K115 PolarHBondContact O-N 2.83Å
114A88.5Confident82.1Confident24 Ų2465.9 Ų65.920%0.19835%0.346CS..PPolyproline II helixtrans-57134.2169.800000109.5F116 H412 I413 W414A114-F116 VanDerWaalsContact C-N 3.35Å; A114-H412 HydrophobicContact CB-CB 3.93Å; A114-I413 CarbonylContact C-O 3.53Å; A114-W414 HydrophobicContact CB-CD2 4.49Å; A114-W414 HydrophobicContact CB-CE3 4.14Å; A114-W414 HydrophobicContact CB-CH2 4.03Å; A114-W414 HydrophobicContact CB-CZ2 4.4Å; A114-W414 HydrophobicContact CB-CZ3 3.9Å
115K90.2Very high84.5Confident81 Ų8157.8 Ų57.835%0.35232%0.316SS..SBendtrans-64.7-43.1179.1-177.2178.7177.5178.10110.9P113 Y401 I413P113-K115 PolarHBondContact O-N 2.83Å; K115-Y401 HydrophobicContact CD-CE1 3.94Å; K115-Y401 PolarHBondContact NZ-OH 2.71Å; K115-I413 PolarHBondContact N-O 2.98Å
116F91.3Very high86.7Confident59 Ų5954 Ų5426%0.25930%0.297SS..EExtended strand (participates in β ladder)trans-135.9141.1174.3-61-69.4000110.2A114 L118 E152 H412 I413A114-F116 VanDerWaalsContact C-N 3.35Å; F116-L118 HydrophobicContact CB-CD2 4.22Å; F116-L118 HydrophobicContact CB-CG 4.49Å; F116-E152 WeakPolarHBondContact CE2-O 3.3Å; F116-H412 WeakPolarHBondContact O-CA 3.38Å; F116-I413 HydrophobicContact CB-CB 4.23Å; F116-I413 HydrophobicContact CB-CD1 4.09Å; F116-I413 HydrophobicContact CB-CG1 4.28Å; F116-I413 HydrophobicContact CD2-CB 4.43Å; F116-I413 HydrophobicContact CD2-CD1 4.04Å; F116-I413 PolarHBondContact O-N 3.36Å
117T93.6Very high88.6Confident79 Ų7951.8 Ų51.849%0.48528%0.281SS..EExtended strand (participates in β ladder)trans-114.2110.6168.1-64.30000107.7I411 H412T117-I411 WeakPolarHBondContact CA-O 3.5Å; T117-H412 WeakPolarHBondContact CG2-CE1 3.43Å; T117-H412 PolarHBondContact OG1-CE1 2.93Å
118L93.3Very high90.1Very high14 Ų1450 Ų507%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-100.3133-175.8-53174.1000110.1F116 F137 W149 G154 T410 I411 I413F116-L118 HydrophobicContact CB-CD2 4.22Å; F116-L118 HydrophobicContact CB-CG 4.49Å; L118-F137 HydrophobicContact CD1-CE1 4.04Å; L118-F137 HydrophobicContact CD1-CZ 3.62Å; L118-W149 HydrophobicContact CB-CE3 4.39Å; L118-W149 HydrophobicContact CB-CZ3 4.22Å; L118-W149 HydrophobicContact CD1-CB 4.36Å; L118-W149 HydrophobicContact CD1-CD2 4.15Å; L118-W149 HydrophobicContact CD1-CE3 3.97Å; L118-W149 HydrophobicContact CD1-CG 4.34Å; L118-G154 WeakPolarHBondContact CD2-O 3.34Å; L118-T410 WeakPolarHBondContact O-CA 3.48Å; L118-I411 HydrophobicContact CB-CB 4.21Å; L118-I411 PolarHBondContact N-O 3.07Å; L118-I411 PolarHBondContact O-N 2.88Å; L118-I413 HydrophobicContact CD1-CD1 3.79Å; L118-I413 HydrophobicContact CD1-CG1 4.27Å; L118-I413 HydrophobicContact CG-CD1 4.48Å
119T92.8Very high91.2Very high104 Ų10450.6 Ų50.664%0.63827%0.272SS*.EExtended strand (participates in β ladder)trans-125.4134.6178.2580000108.9T410T119-T410 HydrophobicContact CG2-CG2 4.16Å
120G89.4Confident91.9Very high39 Ų3950.6 Ų50.640%0.40227%0.272SS..  trans172.9-17.8176.600000115.5K147G120-K147 VanDerWaalsContact O-CE 3.27Å; G120-K147 WeakPolarHBondContact O-CE 3.35Å
121H92.4Very high92.4Very high10 Ų1050.6 Ų50.65%0.04627%0.271CS..  trans-72.7153.5165.2-78.7-69000110.9I125 S139 S141 D143 S145H121-I125 HydrophobicContact CB-CG1 4.43Å; H121-S139 PolarHBondContact NE2-OG 3.12Å; H121-S141 VanDerWaalsContact CE1-CB 3.43Å; H121-S141 WeakPolarHBondContact CE1-CB 3.34Å; H121-S141 WeakPolarHBondContact ND1-CB 3.33Å; H121-D143 WeakPolarHBondContact CA-OD2 3.41Å; H121-D143 IonicContact CE1-OD1 3.55Å; H121-D143 IonicContact CG-OD2 2.72Å; H121-D143 IonicContact ND1-OD1 3.52Å; H121-D143 PolarHBondContact ND1-OD1 3.45Å; H121-D143 IonicContact ND1-OD2 3.81Å; H121-D143 PolarHBondContact ND1-OD2 2.99Å; H121-S145 PolarHBondContact ND1-OG 3.07Å
122R93.4Very high92.7Very high219 Ų21948.2 Ų48.283%0.82627%0.269SS*.SBendtrans-101.7-2.4-178.3-64.3-178.2178.3-133.6-2113.4D143 Q409R122-D143 HydrophobicContact CB-CB 4.29Å; R122-D143 PolarHBondContact N-OD2 2.76Å; R122-Q409 PolarHBondContact O-NE2 3.26Å
123S95.6Very high92.9Very high20 Ų2049.7 Ų49.714%0.1427%0.268CS..SBendtrans-153.9175.6-175.472.10000109.1S141 E142 D143S123-S141 PolarHBondContact O-OG 3.08Å; S123-S141 VanDerWaalsContact O-OG 3.12Å; S123-S141 PolarHBondContact OG-OG 3.43Å; S123-E142 WeakPolarHBondContact OG-CA 3.22Å; S123-E142 WeakPolarHBondContact OG-CB 3.22Å; S123-E142 PolarHBondContact OG-N 3.45Å; S123-D143 WeakPolarHBondContact OG-CA 3.48Å; S123-D143 VanDerWaalsContact OG-CB 3.31Å; S123-D143 WeakPolarHBondContact OG-CB 3.42Å; S123-D143 PolarHBondContact OG-N 2.59Å
124P96.1Very high92.9Very high24 Ų2450.3 Ų50.316%0.15626%0.256CS..  trans-50.4143.1-178-31.939.8000113.5S141 E142 V407P124-S141 VanDerWaalsContact O-CA 3.28Å; P124-S141 WeakPolarHBondContact O-CA 3.28Å; P124-S141 WeakPolarHBondContact O-CB 3.38Å; P124-S141 PolarHBondContact O-OG 3.3Å; P124-E142 HydrophobicContact CB-CG 4.21Å; P124-E142 WeakPolarHBondContact CD-OE2 3.42Å; P124-E142 WeakPolarHBondContact CG-OE2 3.41Å; P124-E142 PolarHBondContact O-N 2.66Å; P124-V407 HydrophobicContact CB-CB 4.42Å; P124-V407 HydrophobicContact CB-CG1 4.16Å; P124-V407 HydrophobicContact CG-CG1 3.88Å
125I96.5Very high93Very high1 Ų150.8 Ų50.81%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-86.5129.8174.7-55.2-173.5000107.5H121 V128 A140 T391 S406 T410 I411H121-I125 HydrophobicContact CB-CG1 4.43Å; I125-V128 HydrophobicContact CG2-CG1 3.94Å; I125-A140 WeakPolarHBondContact CA-O 3.48Å; I125-A140 WeakPolarHBondContact CG2-O 3.4Å; I125-T391 VanDerWaalsContact O-CB 3.29Å; I125-T391 WeakPolarHBondContact O-CB 3.47Å; I125-T391 WeakPolarHBondContact O-CG2 3.03Å; I125-T391 PolarHBondContact O-OG1 3.45Å; I125-S406 PolarHBondContact N-O 3.03Å; I125-T410 WeakPolarHBondContact CD1-O 3.32Å; I125-I411 HydrophobicContact CD1-CB 4.4Å; I125-I411 HydrophobicContact CD1-CD1 3.89Å; I125-I411 HydrophobicContact CD1-CG1 3.15Å
126T96.2Very high93.2Very high21 Ų2147.4 Ų47.413%0.12924%0.241CC..EExtended strand (participates in β ladder)trans-98.7-38.4-176.752.40000111.3A140 E142 V167T126-A140 PolarHBondContact N-O 2.87Å; T126-A140 VanDerWaalsContact OG1-C 3.28Å; T126-A140 PolarHBondContact OG1-O 2.82Å; T126-A140 VanDerWaalsContact OG1-O 3.12Å; T126-E142 HydrophobicContact CG2-CG 3.69Å; T126-V167 VanDerWaalsContact CB-O 3.29Å; T126-V167 WeakPolarHBondContact CB-O 3.26Å; T126-V167 VanDerWaalsContact CG2-O 3.26Å; T126-V167 WeakPolarHBondContact CG2-O 3.44Å; T126-V167 PolarHBondContact OG1-O 3.37Å
127R96.5Very high93.4Very high24 Ų2444.6 Ų44.69%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-146.5142.6-176.2-163.873.8177.3171.410.3112S139 A140 D169 V170R127-S139 CarbonylContact O-C 3.5Å; R127-S139 WeakPolarHBondContact O-CA 3.36Å; R127-A140 HydrophobicContact CB-CB 4.12Å; R127-A140 PolarHBondContact N-O 2.87Å; R127-A140 PolarHBondContact O-N 3.37Å; R127-D169 WeakPolarHBondContact CD-OD1 3.12Å; R127-D169 WeakPolarHBondContact CG-OD1 3.4Å; R127-D169 IonicContact CZ-OD1 3.6Å; R127-D169 IonicContact NE-OD1 3.97Å; R127-D169 PolarHBondContact NE-OD1 3.37Å; R127-V170 HydrophobicContact CB-CG2 4.01Å; R127-V170 HydrophobicContact CG-CG2 3.64Å
128V96.5Very high93.5Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-126.9142.2166.1-62.10000109I125 V138 S392 I403 I411I125-V128 HydrophobicContact CG2-CG1 3.94Å; V128-V138 CarbonylContact C-O 3.5Å; V128-V138 WeakPolarHBondContact CA-O 3.43Å; V128-S392 PolarHBondContact N-OG 2.82Å; V128-I403 HydrophobicContact CB-CD1 3.88Å; V128-I403 HydrophobicContact CB-CG1 4.14Å; V128-I403 HydrophobicContact CG2-CB 4.34Å; V128-I403 HydrophobicContact CG2-CD1 4.05Å; V128-I403 HydrophobicContact CG2-CG1 3.77Å; V128-I411 HydrophobicContact CG1-CG2 4.37Å
129L96.1Very high93.7Very high26 Ų2640.2 Ų40.214%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-151.9129.7-177.9-168.972.5000111F137 V138 V170 F172 D394L129-F137 CarbonylContact O-C 3.54Å; L129-F137 WeakPolarHBondContact O-CA 3.38Å; L129-F137 WeakPolarHBondContact O-CB 3.47Å; L129-V138 PolarHBondContact N-O 3.42Å; L129-V138 PolarHBondContact O-N 3.1Å; L129-V170 HydrophobicContact CB-CG2 4.2Å; L129-F172 HydrophobicContact CD2-CB 4.43Å; L129-F172 HydrophobicContact CD2-CD2 3.43Å; L129-F172 VanDerWaalsContact CD2-CD2 3.43Å; L129-F172 HydrophobicContact CD2-CE2 4.09Å; L129-F172 HydrophobicContact CD2-CG 4.25Å; L129-F172 HydrophobicContact CG-CD2 3.94Å; L129-F172 HydrophobicContact CG-CE2 4.32Å; L129-D394 WeakPolarHBondContact CA-OD2 3.23Å
130F95.1Very high93.9Very high14 Ų1435.2 Ų35.26%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-71144.8171.2-77.5-72.5000111.4F137 Y151 F172 D394 N396 I403F130-F137 HydrophobicContact CD1-CB 3.79Å; F130-F137 HydrophobicContact CE1-CB 4.28Å; F130-F137 HydrophobicContact CG-CB 4.36Å; F130-Y151 AromaticContact CD1-CD1 3.72Å; F130-Y151 HydrophobicContact CD1-CD1 3.72Å; F130-Y151 AromaticContact CD1-CE1 3.85Å; F130-Y151 HydrophobicContact CD1-CE1 3.85Å; F130-Y151 HydrophobicContact CD1-CG 4.45Å; F130-Y151 AromaticContact CE1-CD1 3.53Å; F130-Y151 HydrophobicContact CE1-CD1 3.53Å; F130-Y151 HydrophobicContact CE1-CD2 4.44Å; F130-Y151 AromaticContact CE1-CE1 3.94Å; F130-Y151 HydrophobicContact CE1-CE1 3.94Å; F130-Y151 AromaticContact CE1-CG 3.81Å; F130-Y151 HydrophobicContact CE1-CG 3.81Å; F130-F172 WeakPolarHBondContact O-CD2 3.31Å; F130-D394 HydrophobicContact CD2-CB 4.17Å; F130-D394 PolarHBondContact N-OD2 3.29Å; F130-N396 HydrophobicContact CD1-CB 4.17Å; F130-N396 HydrophobicContact CD2-CB 3.75Å; F130-N396 HydrophobicContact CE1-CB 4.13Å; F130-N396 HydrophobicContact CE2-CB 3.68Å; F130-N396 VanDerWaalsContact CE2-N 3.32Å; F130-N396 HydrophobicContact CG-CB 3.97Å; F130-N396 HydrophobicContact CZ-CB 3.86Å; F130-I403 HydrophobicContact CD1-CD1 4.22Å; F130-I403 HydrophobicContact CD2-CD1 3.75Å; F130-I403 HydrophobicContact CD2-CG1 3.92Å; F130-I403 HydrophobicContact CE1-CD1 4.23Å; F130-I403 HydrophobicContact CE1-CG2 3.95Å; F130-I403 HydrophobicContact CE2-CB 4.21Å; F130-I403 HydrophobicContact CE2-CD1 3.78Å; F130-I403 HydrophobicContact CE2-CG1 3.52Å; F130-I403 HydrophobicContact CE2-CG2 4Å; F130-I403 HydrophobicContact CG-CD1 4Å; F130-I403 HydrophobicContact CZ-CB 4.17Å; F130-I403 HydrophobicContact CZ-CD1 4.04Å; F130-I403 HydrophobicContact CZ-CG1 3.92Å; F130-I403 HydrophobicContact CZ-CG2 3.46Å; F130-I403 VanDerWaalsContact CZ-CG2 3.46Å
131H94Very high94.2Very high4 Ų433.4 Ų33.42%0.01915%0.153CC..  trans-73.8139.8167.1-176.4-73.7000109.7H133 Y134 V136 F172 G176 F193H131-H133 PolarHBondContact ND1-N 2.74Å; H131-H133 PolarHBondContact O-N 2.83Å; H131-Y134 AromaticContact CD2-CD2 3.97Å; H131-Y134 AromaticContact CE1-CD2 3.16Å; H131-Y134 WeakPolarHBondContact CE1-CD2 3.32Å; H131-Y134 AromaticContact CE1-CE2 3.73Å; H131-Y134 AromaticContact CE1-CG 3.86Å; H131-Y134 AromaticContact ND1-CD2 3.62Å; H131-Y134 AromaticContact ND1-CG 3.94Å; H131-Y134 PolarHBondContact ND1-N 2.95Å; H131-Y134 AromaticContact NE2-CD2 3.37Å; H131-Y134 WeakPolarHBondContact NE2-CD2 3.31Å; H131-Y134 AromaticContact NE2-CE2 3.82Å; H131-V136 HydrophobicContact CB-CG2 3.63Å; H131-V136 VanDerWaalsContact CB-O 3.27Å; H131-V136 WeakPolarHBondContact CB-O 3.31Å; H131-V136 PolarHBondContact N-O 2.57Å; H131-F172 HydrophobicContact CB-CE2 4.07Å; H131-F172 HydrophobicContact CB-CZ 4Å; H131-F172 AromaticContact CD2-CE1 3.53Å; H131-F172 AromaticContact CD2-CZ 3.77Å; H131-G176 WeakPolarHBondContact NE2-CA 3.21Å; H131-G176 PolarHBondContact NE2-O 3.34Å; H131-F193 AromaticContact CD2-CD1 3.56Å; H131-F193 AromaticContact CD2-CE1 3.4Å; H131-F193 WeakPolarHBondContact CD2-CE1 3.49Å; H131-F193 AromaticContact CD2-CZ 3.98Å; H131-F193 AromaticContact NE2-CD1 3.72Å; H131-F193 AromaticContact NE2-CE1 3.92Å
132P89.4Confident94.4Very high47 Ų4737.2 Ų37.231%0.30517%0.171SC..SBendtrans-65.2-30-174.722.6-33.9000115.1
133H86.9Confident94.4Very high115 Ų11528.9 Ų28.953%0.53214%0.142SC..SBendtrans-118.4-47.5-176.2-56.2-54.8000115.6H131 S175H131-H133 PolarHBondContact ND1-N 2.74Å; H131-H133 PolarHBondContact O-N 2.83Å; H133-S175 PolarHBondContact CD2-O 2.9Å; H133-S175 VanDerWaalsContact CD2-O 3.26Å
134Y88.2Confident94.4Very high132 Ų13228.8 Ų28.852%0.51814%0.143SC..SBendtrans-77.2157.9180-58.1-53.3000113.7H131 V136 F193H131-Y134 AromaticContact CD2-CD2 3.97Å; H131-Y134 AromaticContact CE1-CD2 3.16Å; H131-Y134 WeakPolarHBondContact CE1-CD2 3.32Å; H131-Y134 AromaticContact CE1-CE2 3.73Å; H131-Y134 AromaticContact CE1-CG 3.86Å; H131-Y134 AromaticContact ND1-CD2 3.62Å; H131-Y134 AromaticContact ND1-CG 3.94Å; H131-Y134 PolarHBondContact ND1-N 2.95Å; H131-Y134 AromaticContact NE2-CD2 3.37Å; H131-Y134 WeakPolarHBondContact NE2-CD2 3.31Å; H131-Y134 AromaticContact NE2-CE2 3.82Å; Y134-V136 PolarHBondContact O-N 3.17Å; Y134-F193 HydrophobicContact CD2-CD1 4.37Å; Y134-F193 HydrophobicContact CD2-CE1 4.18Å
135N90.2Very high94.3Very high34 Ų3428.1 Ų28.118%0.18214%0.139CC..SBendtrans-78.443.6177.8-60.8-6.5000112.9Y151 E152N135-Y151 VanDerWaalsContact C-CD1 3.42Å; N135-Y151 VanDerWaalsContact CA-CZ 3.5Å; N135-Y151 WeakPolarHBondContact CA-OH 3.45Å; N135-Y151 HydrophobicContact CB-CE1 4.08Å; N135-Y151 HydrophobicContact CB-CE2 4.37Å; N135-Y151 WeakPolarHBondContact O-CD1 3.37Å; N135-Y151 PolarHBondContact O-N 3.13Å; N135-Y151 PolarHBondContact OD1-OH 2.89Å; N135-E152 HydrophobicContact CB-CG 4.27Å; N135-E152 PolarHBondContact ND2-OE1 3.11Å; N135-E152 VanDerWaalsContact ND2-OE1 3.16Å; N135-E152 PolarHBondContact ND2-OE2 3.37Å
136V93.8Very high94.3Very high10 Ų1028.1 Ų28.16%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-130.7159.8-177.5-59.10000110.2H131 Y134 V148 W149 F193H131-V136 HydrophobicContact CB-CG2 3.63Å; H131-V136 VanDerWaalsContact CB-O 3.27Å; H131-V136 WeakPolarHBondContact CB-O 3.31Å; H131-V136 PolarHBondContact N-O 2.57Å; Y134-V136 PolarHBondContact O-N 3.17Å; V136-V148 HydrophobicContact CB-CG1 4.11Å; V136-V148 HydrophobicContact CG1-CG1 4.49Å; V136-V148 HydrophobicContact CG2-CG1 4.38Å; V136-W149 CarbonylContact C-O 3.57Å; V136-W149 WeakPolarHBondContact CA-O 3.38Å; V136-W149 WeakPolarHBondContact CB-O 3.24Å; V136-F193 HydrophobicContact CG2-CE1 3.81Å; V136-F193 HydrophobicContact CG2-CZ 3.63Å
137F95.5Very high94.3Very high0 Ų028.4 Ų28.40%014%0.138CC..EExtended strand (participates in β ladder)trans-137.6161.9169.275.4-84.7000109.6L118 L129 F130 W149 Y151 I403 I411 I413L118-F137 HydrophobicContact CD1-CE1 4.04Å; L118-F137 HydrophobicContact CD1-CZ 3.62Å; L129-F137 CarbonylContact O-C 3.54Å; L129-F137 WeakPolarHBondContact O-CA 3.38Å; L129-F137 WeakPolarHBondContact O-CB 3.47Å; F130-F137 HydrophobicContact CD1-CB 3.79Å; F130-F137 HydrophobicContact CE1-CB 4.28Å; F130-F137 HydrophobicContact CG-CB 4.36Å; F137-W149 HydrophobicContact CD1-CB 3.9Å; F137-W149 HydrophobicContact CE1-CB 3.33Å; F137-W149 HydrophobicContact CE1-CG 4.08Å; F137-W149 HydrophobicContact CE2-CB 4.08Å; F137-W149 AromaticContact CE2-CD1 3.58Å; F137-W149 HydrophobicContact CE2-CG 4.02Å; F137-W149 HydrophobicContact CZ-CB 3.41Å; F137-W149 VanDerWaalsContact CZ-CB 3.41Å; F137-W149 AromaticContact CZ-CD1 3.67Å; F137-W149 AromaticContact CZ-CG 3.62Å; F137-W149 HydrophobicContact CZ-CG 3.62Å; F137-W149 PolarHBondContact N-O 3.21Å; F137-W149 PolarHBondContact O-N 2.78Å; F137-Y151 HydrophobicContact CD1-CD1 4.39Å; F137-I403 HydrophobicContact CB-CD1 3.73Å; F137-I403 HydrophobicContact CD1-CG2 4.48Å; F137-I403 HydrophobicContact CD2-CD1 3.66Å; F137-I403 HydrophobicContact CE2-CD1 4.49Å; F137-I403 HydrophobicContact CG-CD1 3.8Å; F137-I403 HydrophobicContact CG-CG2 4.45Å; F137-I411 HydrophobicContact CE2-CD1 4.03Å; F137-I411 HydrophobicContact CE2-CG2 3.84Å; F137-I411 HydrophobicContact CZ-CD1 4.41Å; F137-I411 HydrophobicContact CZ-CG2 3.95Å; F137-I413 HydrophobicContact CE1-CD1 3.84Å; F137-I413 HydrophobicContact CE1-CG1 4.41Å; F137-I413 HydrophobicContact CZ-CD1 4.39Å
138V96.3Very high94.3Very high0 Ų027.3 Ų27.30%013%0.134CC..EExtended strand (participates in β ladder)trans-114.3140.5-178.3171.70000109.5V128 L129 I146 K147 V148 V170 F172 L179 F193V128-V138 CarbonylContact C-O 3.5Å; V128-V138 WeakPolarHBondContact CA-O 3.43Å; L129-V138 PolarHBondContact N-O 3.42Å; L129-V138 PolarHBondContact O-N 3.1Å; V138-I146 HydrophobicContact CG1-CG2 3.15Å; V138-K147 CarbonylContact C-O 3.58Å; V138-K147 VanDerWaalsContact CA-O 3.31Å; V138-K147 WeakPolarHBondContact CA-O 3.42Å; V138-V148 HydrophobicContact CG2-CG2 4.21Å; V138-V170 HydrophobicContact CG1-CG2 4.36Å; V138-F172 HydrophobicContact CB-CE2 4.33Å; V138-F172 HydrophobicContact CB-CZ 4.22Å; V138-F172 HydrophobicContact CG2-CE1 4.46Å; V138-F172 HydrophobicContact CG2-CE2 4.07Å; V138-F172 HydrophobicContact CG2-CZ 3.49Å; V138-F172 VanDerWaalsContact CG2-CZ 3.49Å; V138-L179 HydrophobicContact CG1-CD2 4.27Å; V138-L179 HydrophobicContact CG2-CD2 4.41Å; V138-F193 HydrophobicContact CG2-CE2 3.84Å; V138-F193 HydrophobicContact CG2-CZ 4.46Å
139S96.8Very high94.2Very high0 Ų027.8 Ų27.80%014%0.136CC..EExtended strand (participates in β ladder)trans-121.1137.116962.30000111.1H121 R127 I146 K147 W149 I411H121-S139 PolarHBondContact NE2-OG 3.12Å; R127-S139 CarbonylContact O-C 3.5Å; R127-S139 WeakPolarHBondContact O-CA 3.36Å; S139-I146 CarbonylContact O-C 3.43Å; S139-I146 VanDerWaalsContact O-CA 3.26Å; S139-I146 WeakPolarHBondContact O-CA 3.49Å; S139-K147 PolarHBondContact N-O 3.07Å; S139-K147 PolarHBondContact O-N 3.08Å; S139-W149 PolarHBondContact OG-NE1 3.46Å; S139-I411 VanDerWaalsContact CB-CD1 3.41Å; S139-I411 WeakPolarHBondContact OG-CD1 3.07Å
140A96.5Very high94.1Very high0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-111.4148.8172.800000109.9I125 T126 R127 I146 V167 V170I125-A140 WeakPolarHBondContact CA-O 3.48Å; I125-A140 WeakPolarHBondContact CG2-O 3.4Å; T126-A140 PolarHBondContact N-O 2.87Å; T126-A140 VanDerWaalsContact OG1-C 3.28Å; T126-A140 PolarHBondContact OG1-O 2.82Å; T126-A140 VanDerWaalsContact OG1-O 3.12Å; R127-A140 HydrophobicContact CB-CB 4.12Å; R127-A140 PolarHBondContact N-O 2.87Å; R127-A140 PolarHBondContact O-N 3.37Å; A140-I146 HydrophobicContact CB-CG1 4.48Å; A140-V167 HydrophobicContact CB-CB 4.05Å; A140-V167 HydrophobicContact CB-CG1 3.68Å; A140-V170 HydrophobicContact CB-CG1 3.84Å; A140-V170 HydrophobicContact CB-CG2 4.45Å
141S96.8Very high93.9Very high0 Ų026.6 Ų26.60%013%0.13CC..EExtended strand (participates in β ladder)trans-144.9162.4-174.51740000111.9H121 S123 P124 D143 A144 S145 V167H121-S141 VanDerWaalsContact CE1-CB 3.43Å; H121-S141 WeakPolarHBondContact CE1-CB 3.34Å; H121-S141 WeakPolarHBondContact ND1-CB 3.33Å; S123-S141 PolarHBondContact O-OG 3.08Å; S123-S141 VanDerWaalsContact O-OG 3.12Å; S123-S141 PolarHBondContact OG-OG 3.43Å; P124-S141 VanDerWaalsContact O-CA 3.28Å; P124-S141 WeakPolarHBondContact O-CA 3.28Å; P124-S141 WeakPolarHBondContact O-CB 3.38Å; P124-S141 PolarHBondContact O-OG 3.3Å; S141-D143 WeakPolarHBondContact CB-OD1 3.27Å; S141-D143 PolarHBondContact O-N 2.6Å; S141-D143 VanDerWaalsContact O-N 3.16Å; S141-D143 PolarHBondContact OG-N 2.93Å; S141-D143 PolarHBondContact OG-OD1 2.77Å; S141-A144 PolarHBondContact O-N 2.87Å; S141-S145 PolarHBondContact N-O 3.24Å; S141-V167 PolarHBondContact O-N 2.76Å; S141-V167 VanDerWaalsContact O-N 3.12Å
142E95.8Very high93.7Very high90 Ų9030 Ų3042%0.42115%0.145SC..THydrogen-bonded Turntrans-65.2-8.3172.1-62.3-176.7175.600112.6S123 P124 T126 A144 S166S123-E142 WeakPolarHBondContact OG-CA 3.22Å; S123-E142 WeakPolarHBondContact OG-CB 3.22Å; S123-E142 PolarHBondContact OG-N 3.45Å; P124-E142 HydrophobicContact CB-CG 4.21Å; P124-E142 WeakPolarHBondContact CD-OE2 3.42Å; P124-E142 WeakPolarHBondContact CG-OE2 3.41Å; P124-E142 PolarHBondContact O-N 2.66Å; T126-E142 HydrophobicContact CG2-CG 3.69Å; E142-A144 PolarHBondContact O-N 3.44Å; E142-A144 VanDerWaalsContact O-N 3.15Å; E142-S166 PolarHBondContact O-OG 2.83Å
143D94.3Very high93.6Very high44 Ų4430.2 Ų30.224%0.23515%0.146CC..THydrogen-bonded Turntrans-80.314.2177.766.612.8000112.9H121 R122 S123 S141 S145H121-D143 WeakPolarHBondContact CA-OD2 3.41Å; H121-D143 IonicContact CE1-OD1 3.55Å; H121-D143 IonicContact CG-OD2 2.72Å; H121-D143 IonicContact ND1-OD1 3.52Å; H121-D143 PolarHBondContact ND1-OD1 3.45Å; H121-D143 IonicContact ND1-OD2 3.81Å; H121-D143 PolarHBondContact ND1-OD2 2.99Å; R122-D143 HydrophobicContact CB-CB 4.29Å; R122-D143 PolarHBondContact N-OD2 2.76Å; S123-D143 WeakPolarHBondContact OG-CA 3.48Å; S123-D143 VanDerWaalsContact OG-CB 3.31Å; S123-D143 WeakPolarHBondContact OG-CB 3.42Å; S123-D143 PolarHBondContact OG-N 2.59Å; S141-D143 WeakPolarHBondContact CB-OD1 3.27Å; S141-D143 PolarHBondContact O-N 2.6Å; S141-D143 VanDerWaalsContact O-N 3.16Å; S141-D143 PolarHBondContact OG-N 2.93Å; S141-D143 PolarHBondContact OG-OD1 2.77Å; D143-S145 VanDerWaalsContact CG-OG 3.24Å; D143-S145 PolarHBondContact O-N 2.87Å; D143-S145 VanDerWaalsContact O-N 3.15Å; D143-S145 WeakPolarHBondContact OD1-CA 3.43Å; D143-S145 VanDerWaalsContact OD1-CB 3.22Å; D143-S145 WeakPolarHBondContact OD1-CB 3.28Å; D143-S145 PolarHBondContact OD1-N 3.49Å; D143-S145 PolarHBondContact OD1-OG 2.9Å; D143-S145 PolarHBondContact OD2-OG 2.76Å
144A94.7Very high93.7Very high19 Ų1925.5 Ų25.516%0.15713%0.128CC..SBendtrans59.117.3-176.300000114S141 E142 H163 D165S141-A144 PolarHBondContact O-N 2.87Å; E142-A144 PolarHBondContact O-N 3.44Å; E142-A144 VanDerWaalsContact O-N 3.15Å; A144-H163 HydrophobicContact CB-CB 4.42Å; A144-D165 WeakPolarHBondContact CA-O 3.32Å; A144-D165 VanDerWaalsContact CB-O 3.23Å; A144-D165 WeakPolarHBondContact CB-O 3.42Å
145S95.2Very high93.8Very high9 Ų924.5 Ų24.56%0.06313%0.129CC..EExtended strand (participates in β ladder)trans-116.4151.1-179.384.40000112.8H121 S141 D143H121-S145 PolarHBondContact ND1-OG 3.07Å; S141-S145 PolarHBondContact N-O 3.24Å; D143-S145 VanDerWaalsContact CG-OG 3.24Å; D143-S145 PolarHBondContact O-N 2.87Å; D143-S145 VanDerWaalsContact O-N 3.15Å; D143-S145 WeakPolarHBondContact OD1-CA 3.43Å; D143-S145 VanDerWaalsContact OD1-CB 3.22Å; D143-S145 WeakPolarHBondContact OD1-CB 3.28Å; D143-S145 PolarHBondContact OD1-N 3.49Å; D143-S145 PolarHBondContact OD1-OG 2.9Å; D143-S145 PolarHBondContact OD2-OG 2.76Å
146I96.5Very high93.9Very high1 Ų127.6 Ų27.61%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-118.9126.4172.5-58.1165.3000106.7V138 S139 A140 T159 L160 V167 V170 L179 S181V138-I146 HydrophobicContact CG1-CG2 3.15Å; S139-I146 CarbonylContact O-C 3.43Å; S139-I146 VanDerWaalsContact O-CA 3.26Å; S139-I146 WeakPolarHBondContact O-CA 3.49Å; A140-I146 HydrophobicContact CB-CG1 4.48Å; I146-T159 CarbonylContact O-C 3.56Å; I146-T159 WeakPolarHBondContact O-CA 3.33Å; I146-L160 HydrophobicContact CB-CB 4.14Å; I146-L160 HydrophobicContact CB-CD1 4.46Å; I146-L160 HydrophobicContact CG2-CD1 4.19Å; I146-L160 PolarHBondContact N-O 3.34Å; I146-L160 VanDerWaalsContact N-O 3.14Å; I146-L160 PolarHBondContact O-N 2.92Å; I146-V167 HydrophobicContact CD1-CG1 4.18Å; I146-V167 HydrophobicContact CG1-CB 4.5Å; I146-V167 HydrophobicContact CG1-CG1 4.07Å; I146-V167 HydrophobicContact CG1-CG2 4.12Å; I146-V170 HydrophobicContact CD1-CG1 4.17Å; I146-V170 HydrophobicContact CG1-CG1 4.43Å; I146-L179 HydrophobicContact CG2-CD2 4.23Å; I146-S181 WeakPolarHBondContact CD1-OG 3.4Å
147K95.7Very high93.7Very high28 Ų2829.8 Ų29.812%0.12215%0.15CC..EExtended strand (participates in β ladder)trans-113.3143.5-178.4-67.3-179.2178.7-76.30110.5G120 V138 S139 W149 F156 H158 T159G120-K147 VanDerWaalsContact O-CE 3.27Å; G120-K147 WeakPolarHBondContact O-CE 3.35Å; V138-K147 CarbonylContact C-O 3.58Å; V138-K147 VanDerWaalsContact CA-O 3.31Å; V138-K147 WeakPolarHBondContact CA-O 3.42Å; S139-K147 PolarHBondContact N-O 3.07Å; S139-K147 PolarHBondContact O-N 3.08Å; K147-W149 HydrophobicContact CB-CZ2 3.99Å; K147-W149 HydrophobicContact CD-CH2 4.35Å; K147-W149 HydrophobicContact CD-CZ2 3.58Å; K147-W149 HydrophobicContact CG-CZ2 4.44Å; K147-F156 HydrophobicContact CB-CE2 4.21Å; K147-F156 HydrophobicContact CD-CD2 4.5Å; K147-F156 HydrophobicContact CD-CE2 4.23Å; K147-F156 HydrophobicContact CG-CE2 4.07Å; K147-H158 WeakPolarHBondContact CA-O 3.5Å; K147-T159 HydrophobicContact CG-CG2 4.28Å; K147-T159 PolarHBondContact NZ-OG1 2.97Å
148V96.1Very high93.6Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-108.7132.4176.2-172.60000108V136 V138 E157 H158 F193 Y196V136-V148 HydrophobicContact CB-CG1 4.11Å; V136-V148 HydrophobicContact CG1-CG1 4.49Å; V136-V148 HydrophobicContact CG2-CG1 4.38Å; V138-V148 HydrophobicContact CG2-CG2 4.21Å; V148-E157 HydrophobicContact CB-CB 4.49Å; V148-E157 HydrophobicContact CG1-CB 4.42Å; V148-E157 PolarHBondContact O-N 3.44Å; V148-H158 HydrophobicContact CB-CB 4.3Å; V148-H158 HydrophobicContact CG2-CB 4.26Å; V148-H158 PolarHBondContact N-O 2.72Å; V148-H158 PolarHBondContact O-N 2.8Å; V148-F193 HydrophobicContact CG1-CE2 4.27Å; V148-F193 HydrophobicContact CG1-CZ 3.9Å; V148-F193 HydrophobicContact CG2-CE2 4.03Å; V148-F193 HydrophobicContact CG2-CZ 4.48Å; V148-Y196 HydrophobicContact CG2-CD1 4.44Å; V148-Y196 HydrophobicContact CG2-CE1 4.02Å
149W95.2Very high93.5Very high11 Ų1136 Ų364%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-133.8144.4-175.4-52.288.9000110L118 V136 F137 S139 K147 E155 F156 I411L118-W149 HydrophobicContact CB-CE3 4.39Å; L118-W149 HydrophobicContact CB-CZ3 4.22Å; L118-W149 HydrophobicContact CD1-CB 4.36Å; L118-W149 HydrophobicContact CD1-CD2 4.15Å; L118-W149 HydrophobicContact CD1-CE3 3.97Å; L118-W149 HydrophobicContact CD1-CG 4.34Å; V136-W149 CarbonylContact C-O 3.57Å; V136-W149 WeakPolarHBondContact CA-O 3.38Å; V136-W149 WeakPolarHBondContact CB-O 3.24Å; F137-W149 HydrophobicContact CD1-CB 3.9Å; F137-W149 HydrophobicContact CE1-CB 3.33Å; F137-W149 HydrophobicContact CE1-CG 4.08Å; F137-W149 HydrophobicContact CE2-CB 4.08Å; F137-W149 AromaticContact CE2-CD1 3.58Å; F137-W149 HydrophobicContact CE2-CG 4.02Å; F137-W149 HydrophobicContact CZ-CB 3.41Å; F137-W149 VanDerWaalsContact CZ-CB 3.41Å; F137-W149 AromaticContact CZ-CD1 3.67Å; F137-W149 AromaticContact CZ-CG 3.62Å; F137-W149 HydrophobicContact CZ-CG 3.62Å; F137-W149 PolarHBondContact N-O 3.21Å; F137-W149 PolarHBondContact O-N 2.78Å; S139-W149 PolarHBondContact OG-NE1 3.46Å; K147-W149 HydrophobicContact CB-CZ2 3.99Å; K147-W149 HydrophobicContact CD-CH2 4.35Å; K147-W149 HydrophobicContact CD-CZ2 3.58Å; K147-W149 HydrophobicContact CG-CZ2 4.44Å; W149-E155 WeakPolarHBondContact CA-O 3.42Å; W149-F156 HydrophobicContact CE3-CB 3.79Å; W149-F156 HydrophobicContact CE3-CD2 4.32Å; W149-F156 HydrophobicContact CH2-CB 4.41Å; W149-F156 HydrophobicContact CH2-CD2 4.25Å; W149-F156 HydrophobicContact CZ2-CD2 4.42Å; W149-F156 HydrophobicContact CZ3-CB 3.65Å; W149-F156 HydrophobicContact CZ3-CD2 4.21Å; W149-F156 HydrophobicContact CZ3-CG 4.38Å; W149-I411 HydrophobicContact CZ2-CD1 4.31Å
150D93.2Very high93.4Very high5 Ų536.2 Ų36.23%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-85.8118.6168.7179.6-18.3000108.6R58 E152 T153 G154 E155 E157R58-D150 IonicContact NH1-OD2 3.94Å; R58-D150 PolarHBondContact NH1-OD2 3.15Å; D150-E152 VanDerWaalsContact C-N 3.35Å; D150-E152 WeakPolarHBondContact OD1-CB 3.17Å; D150-E152 PolarHBondContact OD1-N 3.11Å; D150-T153 WeakPolarHBondContact CB-OG1 2.91Å; D150-T153 PolarHBondContact OD1-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.35Å; D150-T153 VanDerWaalsContact OD2-OG1 3.04Å; D150-G154 VanDerWaalsContact O-CA 3.23Å; D150-G154 WeakPolarHBondContact O-CA 3.46Å; D150-G154 PolarHBondContact O-N 3.4Å; D150-E155 PolarHBondContact N-O 2.71Å; D150-E157 HydrophobicContact CB-CG 4.44Å
151Y91.5Very high93.2Very high9 Ų944.1 Ų44.14%0.03522%0.217CC..THydrogen-bonded Turntrans-80.1-14.7-177.459.8-103.1000114F130 N135 F137 N396 Y401F130-Y151 AromaticContact CD1-CD1 3.72Å; F130-Y151 HydrophobicContact CD1-CD1 3.72Å; F130-Y151 AromaticContact CD1-CE1 3.85Å; F130-Y151 HydrophobicContact CD1-CE1 3.85Å; F130-Y151 HydrophobicContact CD1-CG 4.45Å; F130-Y151 AromaticContact CE1-CD1 3.53Å; F130-Y151 HydrophobicContact CE1-CD1 3.53Å; F130-Y151 HydrophobicContact CE1-CD2 4.44Å; F130-Y151 AromaticContact CE1-CE1 3.94Å; F130-Y151 HydrophobicContact CE1-CE1 3.94Å; F130-Y151 AromaticContact CE1-CG 3.81Å; F130-Y151 HydrophobicContact CE1-CG 3.81Å; N135-Y151 VanDerWaalsContact C-CD1 3.42Å; N135-Y151 VanDerWaalsContact CA-CZ 3.5Å; N135-Y151 WeakPolarHBondContact CA-OH 3.45Å; N135-Y151 HydrophobicContact CB-CE1 4.08Å; N135-Y151 HydrophobicContact CB-CE2 4.37Å; N135-Y151 WeakPolarHBondContact O-CD1 3.37Å; N135-Y151 PolarHBondContact O-N 3.13Å; N135-Y151 PolarHBondContact OD1-OH 2.89Å; F137-Y151 HydrophobicContact CD1-CD1 4.39Å; Y151-N396 PolarHBondContact OH-ND2 2.58Å; Y151-Y401 AromaticContact CD2-CD2 3.65Å; Y151-Y401 HydrophobicContact CD2-CD2 3.65Å; Y151-Y401 AromaticContact CD2-CE2 3.94Å; Y151-Y401 HydrophobicContact CD2-CE2 3.94Å; Y151-Y401 HydrophobicContact CD2-CG 4.27Å; Y151-Y401 AromaticContact CE2-CD2 3.58Å; Y151-Y401 HydrophobicContact CE2-CD2 3.58Å; Y151-Y401 AromaticContact CE2-CE2 3.83Å; Y151-Y401 HydrophobicContact CE2-CE2 3.83Å
152E88.7Confident92.9Very high75 Ų7546 Ų4635%0.3524%0.237SC..THydrogen-bonded Turntrans-81.4-38.8178.2-67.5-174.7144.200111.1F116 N135 D150F116-E152 WeakPolarHBondContact CE2-O 3.3Å; N135-E152 HydrophobicContact CB-CG 4.27Å; N135-E152 PolarHBondContact ND2-OE1 3.11Å; N135-E152 VanDerWaalsContact ND2-OE1 3.16Å; N135-E152 PolarHBondContact ND2-OE2 3.37Å; D150-E152 VanDerWaalsContact C-N 3.35Å; D150-E152 WeakPolarHBondContact OD1-CB 3.17Å; D150-E152 PolarHBondContact OD1-N 3.11Å
153T88.5Confident92.8Very high53 Ų5342.4 Ų42.433%0.32522%0.22SC..THydrogen-bonded Turntrans-98.5-24-178.560.30000113.3D150 E155D150-T153 WeakPolarHBondContact CB-OG1 2.91Å; D150-T153 PolarHBondContact OD1-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.35Å; D150-T153 VanDerWaalsContact OD2-OG1 3.04Å; T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact OG1-N 3.27Å
154G88.1Confident92.8Very high15 Ų1546.2 Ų46.216%0.15525%0.245CC..  trans75.415.2-171.200000113.2L118 D150L118-G154 WeakPolarHBondContact CD2-O 3.34Å; D150-G154 VanDerWaalsContact O-CA 3.23Å; D150-G154 WeakPolarHBondContact O-CA 3.46Å; D150-G154 PolarHBondContact O-N 3.4Å
155E90.2Very high92.8Very high112 Ų11249 Ų4952%0.52326%0.257SS..  trans-85.5146.9-178.8-67.2-176.9170.100112.2W149 D150 T153W149-E155 WeakPolarHBondContact CA-O 3.42Å; D150-E155 PolarHBondContact N-O 2.71Å; T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact OG1-N 3.27Å
156F92Very high92.8Very high99 Ų9949.5 Ų49.543%0.43426%0.261SS..EExtended strand (participates in β ladder)trans-81.3128.1171.3165.9-97.1000110K147 W149 H158 T159K147-F156 HydrophobicContact CB-CE2 4.21Å; K147-F156 HydrophobicContact CD-CD2 4.5Å; K147-F156 HydrophobicContact CD-CE2 4.23Å; K147-F156 HydrophobicContact CG-CE2 4.07Å; W149-F156 HydrophobicContact CE3-CB 3.79Å; W149-F156 HydrophobicContact CE3-CD2 4.32Å; W149-F156 HydrophobicContact CH2-CB 4.41Å; W149-F156 HydrophobicContact CH2-CD2 4.25Å; W149-F156 HydrophobicContact CZ2-CD2 4.42Å; W149-F156 HydrophobicContact CZ3-CB 3.65Å; W149-F156 HydrophobicContact CZ3-CD2 4.21Å; W149-F156 HydrophobicContact CZ3-CG 4.38Å; F156-H158 VanDerWaalsContact CE2-C 3.5Å; F156-H158 WeakPolarHBondContact CE2-O 3.29Å; F156-H158 VanDerWaalsContact CZ-C 3.4Å; F156-T159 WeakPolarHBondContact CE2-OG1 3.34Å; F156-T159 WeakPolarHBondContact CZ-OG1 3.31Å
157E90.7Very high92.8Very high55 Ų5549.4 Ų49.426%0.25726%0.26SS..EExtended strand (participates in β ladder)trans-101.3-60.6179.4-63.1-159.3150.400112.3R58 V148 D150R58-E157 IonicContact NH1-OE1 3.71Å; V148-E157 HydrophobicContact CB-CB 4.49Å; V148-E157 HydrophobicContact CG1-CB 4.42Å; V148-E157 PolarHBondContact O-N 3.44Å; D150-E157 HydrophobicContact CB-CG 4.44Å
158H92.7Very high92.8Very high87 Ų8750.5 Ų50.540%0.40327%0.266SS..EExtended strand (participates in β ladder)trans-143.1154.8-171.3-74.8-73.8000112.8K147 V148 F156 Y196K147-H158 WeakPolarHBondContact CA-O 3.5Å; V148-H158 HydrophobicContact CB-CB 4.3Å; V148-H158 HydrophobicContact CG2-CB 4.26Å; V148-H158 PolarHBondContact N-O 2.72Å; V148-H158 PolarHBondContact O-N 2.8Å; F156-H158 VanDerWaalsContact CE2-C 3.5Å; F156-H158 WeakPolarHBondContact CE2-O 3.29Å; F156-H158 VanDerWaalsContact CZ-C 3.4Å; H158-Y196 HydrophobicContact CB-CD1 4.34Å; H158-Y196 HydrophobicContact CB-CE1 4.4Å; H158-Y196 HydrophobicContact CB-CG 4.44Å; H158-Y196 AromaticContact CD2-CD2 3.71Å; H158-Y196 AromaticContact CD2-CE2 3.26Å; H158-Y196 WeakPolarHBondContact CD2-CE2 3.34Å; H158-Y196 AromaticContact CD2-CZ 3.55Å; H158-Y196 AromaticContact CG-CD2 3.96Å; H158-Y196 AromaticContact CG-CE2 3.95Å; H158-Y196 AromaticContact NE2-CD2 3.87Å; H158-Y196 AromaticContact NE2-CE2 3.52Å
159T94.5Very high92.8Very high43 Ų4350.7 Ų50.726%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-120.1122.9167.4-61.20000108.8I146 K147 F156 K161I146-T159 CarbonylContact O-C 3.56Å; I146-T159 WeakPolarHBondContact O-CA 3.33Å; K147-T159 HydrophobicContact CG-CG2 4.28Å; K147-T159 PolarHBondContact NZ-OG1 2.97Å; F156-T159 WeakPolarHBondContact CE2-OG1 3.34Å; F156-T159 WeakPolarHBondContact CZ-OG1 3.31Å; T159-K161 HydrophobicContact CG2-CG 3.8Å
160L94.3Very high92.9Very high5 Ų550.2 Ų50.23%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-87.6122.4168.9-52173000108.4I146 L179 W191 Y196I146-L160 HydrophobicContact CB-CB 4.14Å; I146-L160 HydrophobicContact CB-CD1 4.46Å; I146-L160 HydrophobicContact CG2-CD1 4.19Å; I146-L160 PolarHBondContact N-O 3.34Å; I146-L160 VanDerWaalsContact N-O 3.14Å; I146-L160 PolarHBondContact O-N 2.92Å; L160-L179 HydrophobicContact CD1-CD2 3.61Å; L160-W191 HydrophobicContact CB-CD2 4.47Å; L160-W191 HydrophobicContact CB-CE3 4.11Å; L160-W191 HydrophobicContact CB-CH2 4.32Å; L160-W191 HydrophobicContact CB-CZ3 4.02Å; L160-W191 HydrophobicContact CD1-CB 4.45Å; L160-W191 HydrophobicContact CD1-CD2 4.2Å; L160-W191 HydrophobicContact CD1-CE3 4.32Å; L160-W191 HydrophobicContact CD1-CG 4.25Å; L160-W191 HydrophobicContact CD2-CE3 4.16Å; L160-W191 HydrophobicContact CG-CE3 4.44Å; L160-Y196 HydrophobicContact CD2-CD1 3.99Å; L160-Y196 HydrophobicContact CD2-CG 4.29Å; L160-Y196 WeakPolarHBondContact CD2-O 3.38Å
161K92.5Very high93.1Very high166 Ų16650.2 Ų50.272%0.72227%0.266SS*.EExtended strand (participates in β ladder)trans-121.7138.6177.1-63.6-171.8178.2-178.40109.3T159 W191T159-K161 HydrophobicContact CG2-CG 3.8Å; K161-W191 WeakPolarHBondContact O-CH2 3.47Å
162G90.4Very high93.2Very high39 Ų3950.9 Ų50.940%0.40227%0.269SS..  trans168.2-19.9175.300000114.3K189G162-K189 WeakPolarHBondContact O-CE 3.49Å
163H93.6Very high93.5Very high15 Ų1547.9 Ų47.97%0.06926%0.255CS..  trans-72.3147.1167-77.8-66.1000110.8A144 V167 S181 S183 D185A144-H163 HydrophobicContact CB-CB 4.42Å; H163-V167 HydrophobicContact CB-CG2 4.09Å; H163-S181 PolarHBondContact CD2-OG 3.26Å; H163-S181 PolarHBondContact NE2-OG 2.64Å; H163-S183 WeakPolarHBondContact ND1-CB 3.33Å; H163-D185 WeakPolarHBondContact CA-OD2 3.47Å; H163-D185 IonicContact CE1-OD1 2.98Å; H163-D185 IonicContact CE1-OD2 3.19Å; H163-D185 IonicContact CG-OD2 3.4Å; H163-D185 IonicContact ND1-OD1 3.67Å; H163-D185 PolarHBondContact ND1-OD1 2.78Å; H163-D185 IonicContact ND1-OD2 3.37Å; H163-D185 PolarHBondContact ND1-OD2 3.2Å
164T93.8Very high93.5Very high124 Ų12448.5 Ų48.576%0.76126%0.26SS*.SBendtrans-95.6-13.9178.554.10000112.8D185T164-D185 PolarHBondContact N-OD2 3.28Å; T164-D185 WeakPolarHBondContact OG1-CB 3.31Å
165D95.2Very high93.7Very high77 Ų7750.9 Ų50.941%0.41227%0.274SS..SBendtrans-140.7177-179.4-153.6-23000110.2A144 V167 S183 A184 D185A144-D165 WeakPolarHBondContact CA-O 3.32Å; A144-D165 VanDerWaalsContact CB-O 3.23Å; A144-D165 WeakPolarHBondContact CB-O 3.42Å; D165-V167 PolarHBondContact O-N 2.83Å; D165-S183 PolarHBondContact O-OG 3.37Å; D165-A184 HydrophobicContact CB-CB 4.01Å; D165-D185 HydrophobicContact CB-CB 4.05Å
166S95.5Very high93.7Very high20 Ų2045.6 Ų45.614%0.1425%0.25CS..  trans-46.8121.6-176.2-58.60000113.5E142 S183 A184E142-S166 PolarHBondContact O-OG 2.83Å; S166-S183 CarbonylContact O-C 3.52Å; S166-S183 VanDerWaalsContact O-CA 3.22Å; S166-S183 WeakPolarHBondContact O-CA 3.4Å; S166-S183 WeakPolarHBondContact O-CB 3.32Å; S166-S183 PolarHBondContact O-OG 3.2Å; S166-S183 VanDerWaalsContact O-OG 3.05Å; S166-A184 PolarHBondContact O-N 3.48Å
167V96.9Very high93.8Very high0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-78.5124174.5-173.90000108.4T126 A140 S141 I146 H163 D165 V170 C182T126-V167 VanDerWaalsContact CB-O 3.29Å; T126-V167 WeakPolarHBondContact CB-O 3.26Å; T126-V167 VanDerWaalsContact CG2-O 3.26Å; T126-V167 WeakPolarHBondContact CG2-O 3.44Å; T126-V167 PolarHBondContact OG1-O 3.37Å; A140-V167 HydrophobicContact CB-CB 4.05Å; A140-V167 HydrophobicContact CB-CG1 3.68Å; S141-V167 PolarHBondContact O-N 2.76Å; S141-V167 VanDerWaalsContact O-N 3.12Å; I146-V167 HydrophobicContact CD1-CG1 4.18Å; I146-V167 HydrophobicContact CG1-CB 4.5Å; I146-V167 HydrophobicContact CG1-CG1 4.07Å; I146-V167 HydrophobicContact CG1-CG2 4.12Å; H163-V167 HydrophobicContact CB-CG2 4.09Å; D165-V167 PolarHBondContact O-N 2.83Å; V167-V170 HydrophobicContact CG1-CG1 4.29Å; V167-C182 CarbonylContact C-O 3.53Å; V167-C182 WeakPolarHBondContact CA-O 3.42Å; V167-C182 VanDerWaalsContact CG1-O 3.31Å; V167-C182 WeakPolarHBondContact CG1-O 3.42Å
168Q96.2Very high93.9Very high50 Ų5045.3 Ų45.323%0.23425%0.248CC..EExtended strand (participates in β ladder)trans-94.9-40.2-173.4-63.8-64.1-46.700113C182 N208 V209Q168-C182 PolarHBondContact N-O 3.23Å; Q168-N208 WeakPolarHBondContact CG-OD1 3.46Å; Q168-V209 WeakPolarHBondContact CB-O 3.44Å; Q168-V209 WeakPolarHBondContact CG-O 3.32Å
169D96.2Very high94.1Very high5 Ų541.2 Ų41.23%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-147.9158.3-177-161.88.8000110.5R127 S181 C182 S211 V212 R255R127-D169 WeakPolarHBondContact CD-OD1 3.12Å; R127-D169 WeakPolarHBondContact CG-OD1 3.4Å; R127-D169 IonicContact CZ-OD1 3.6Å; R127-D169 IonicContact NE-OD1 3.97Å; R127-D169 PolarHBondContact NE-OD1 3.37Å; D169-S181 WeakPolarHBondContact O-CA 3.44Å; D169-C182 VanDerWaalsContact CB-SG 3.54Å; D169-C182 PolarHBondContact N-SG 2.64Å; D169-C182 VanDerWaalsContact N-SG 3.44Å; D169-C182 PolarHBondContact O-N 2.88Å; D169-S211 WeakPolarHBondContact OD2-CA 3.44Å; D169-S211 WeakPolarHBondContact OD2-CB 3.26Å; D169-S211 PolarHBondContact OD2-OG 2.88Å; D169-V212 HydrophobicContact CB-CG1 4.23Å; D169-V212 PolarHBondContact OD2-N 3Å; D169-V212 VanDerWaalsContact OD2-N 3.12Å; D169-R255 IonicContact OD1-NH2 3.53Å; D169-R255 IonicContact OD2-NH2 3.45Å; D169-R255 PolarHBondContact OD2-NH2 2.82Å; D169-R255 VanDerWaalsContact OD2-NH2 3.1Å
170V96.5Very high94.2Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-138.8145.7175.6-71.10000110R127 L129 V138 A140 I146 V167 L179 A180R127-V170 HydrophobicContact CB-CG2 4.01Å; R127-V170 HydrophobicContact CG-CG2 3.64Å; L129-V170 HydrophobicContact CB-CG2 4.2Å; V138-V170 HydrophobicContact CG1-CG2 4.36Å; A140-V170 HydrophobicContact CB-CG1 3.84Å; A140-V170 HydrophobicContact CB-CG2 4.45Å; I146-V170 HydrophobicContact CD1-CG1 4.17Å; I146-V170 HydrophobicContact CG1-CG1 4.43Å; V167-V170 HydrophobicContact CG1-CG1 4.29Å; V170-L179 HydrophobicContact CB-CD1 4.2Å; V170-A180 CarbonylContact C-O 3.54Å; V170-A180 VanDerWaalsContact CA-O 3.26Å; V170-A180 WeakPolarHBondContact CA-O 3.45Å
171A96.3Very high94.3Very high5 Ų538.9 Ų38.94%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-140.5140.8175.900000110.5A180 V212 F214A171-A180 PolarHBondContact N-O 3.44Å; A171-A180 PolarHBondContact O-N 3.41Å; A171-V212 HydrophobicContact CB-CG1 4.18Å; A171-V212 WeakPolarHBondContact CB-O 3.27Å; A171-F214 HydrophobicContact CB-CD2 3.96Å; A171-F214 HydrophobicContact CB-CE2 4.4Å; A171-F214 WeakPolarHBondContact O-CE2 3.3Å
172F95.4Very high94.5Very high23 Ų2331 Ų3110%0.10118%0.181CC..EExtended strand (participates in β ladder)trans-90.7149.3167.3-77-69.5000110.5L129 F130 H131 V138 L179 F193 F214L129-F172 HydrophobicContact CD2-CB 4.43Å; L129-F172 HydrophobicContact CD2-CD2 3.43Å; L129-F172 VanDerWaalsContact CD2-CD2 3.43Å; L129-F172 HydrophobicContact CD2-CE2 4.09Å; L129-F172 HydrophobicContact CD2-CG 4.25Å; L129-F172 HydrophobicContact CG-CD2 3.94Å; L129-F172 HydrophobicContact CG-CE2 4.32Å; F130-F172 WeakPolarHBondContact O-CD2 3.31Å; H131-F172 HydrophobicContact CB-CE2 4.07Å; H131-F172 HydrophobicContact CB-CZ 4Å; H131-F172 AromaticContact CD2-CE1 3.53Å; H131-F172 AromaticContact CD2-CZ 3.77Å; V138-F172 HydrophobicContact CB-CE2 4.33Å; V138-F172 HydrophobicContact CB-CZ 4.22Å; V138-F172 HydrophobicContact CG2-CE1 4.46Å; V138-F172 HydrophobicContact CG2-CE2 4.07Å; V138-F172 HydrophobicContact CG2-CZ 3.49Å; V138-F172 VanDerWaalsContact CG2-CZ 3.49Å; F172-L179 HydrophobicContact CD1-CB 4.19Å; F172-L179 HydrophobicContact CD1-CD1 3.87Å; F172-L179 HydrophobicContact CD2-CD1 4.42Å; F172-L179 HydrophobicContact CE1-CB 4.05Å; F172-L179 HydrophobicContact CE1-CD1 3.69Å; F172-L179 HydrophobicContact CE1-CG 4.38Å; F172-L179 HydrophobicContact CE2-CD1 4.24Å; F172-L179 HydrophobicContact CG-CD1 4.24Å; F172-L179 HydrophobicContact CZ-CD1 3.9Å; F172-F193 AromaticContact CE1-CD2 3.72Å; F172-F193 HydrophobicContact CE1-CD2 3.72Å; F172-F193 AromaticContact CE1-CE2 3.88Å; F172-F193 HydrophobicContact CE1-CE2 3.88Å; F172-F193 HydrophobicContact CE1-CG 4.07Å; F172-F193 HydrophobicContact CE1-CZ 4.37Å; F172-F193 HydrophobicContact CZ-CD2 4.25Å; F172-F193 AromaticContact CZ-CE2 3.94Å; F172-F193 HydrophobicContact CZ-CE2 3.94Å; F172-F193 HydrophobicContact CZ-CZ 4.29Å; F172-F214 VanDerWaalsContact O-CD2 3.24Å; F172-F214 WeakPolarHBondContact O-CD2 3.15Å
173D93.8Very high94.8Very high13 Ų1329.1 Ų29.17%0.0716%0.162CC..  trans-69.8163.9164.198.4-32.9000110.4S175 G176 K177 F178 F214D173-S175 PolarHBondContact O-N 3.33Å; D173-S175 VanDerWaalsContact OD1-C 3.27Å; D173-S175 WeakPolarHBondContact OD1-CA 3.21Å; D173-S175 PolarHBondContact OD1-N 3.24Å; D173-S175 PolarHBondContact OD1-OG 2.91Å; D173-S175 PolarHBondContact OD2-OG 3.23Å; D173-G176 PolarHBondContact O-N 2.78Å; D173-G176 VanDerWaalsContact O-N 3.14Å; D173-G176 WeakPolarHBondContact OD1-CA 3.48Å; D173-G176 PolarHBondContact OD1-N 2.94Å; D173-K177 PolarHBondContact OD1-N 2.84Å; D173-F178 HydrophobicContact CB-CB 4.21Å; D173-F178 PolarHBondContact N-O 2.9Å; D173-F214 HydrophobicContact CB-CD1 3.97Å; D173-F214 HydrophobicContact CB-CD2 4.22Å; D173-F214 HydrophobicContact CB-CE1 4.03Å; D173-F214 HydrophobicContact CB-CE2 4.27Å; D173-F214 HydrophobicContact CB-CG 4.05Å; D173-F214 HydrophobicContact CB-CZ 4.17Å
174P89.9Confident94.9Very high66 Ų6629.3 Ų29.343%0.42917%0.166SC..THydrogen-bonded Turntrans-60.4-24.5178.1-23.734.1000114.3P216P174-P216 WeakPolarHBondContact CG-O 3.33Å
175S91.3Very high94.9Very high64 Ų6424.6 Ų24.645%0.44814%0.136SC..THydrogen-bonded Turntrans-86.2-10.9178.979.20000113.9H133 D173 K177H133-S175 PolarHBondContact CD2-O 2.9Å; H133-S175 VanDerWaalsContact CD2-O 3.26Å; D173-S175 PolarHBondContact O-N 3.33Å; D173-S175 VanDerWaalsContact OD1-C 3.27Å; D173-S175 WeakPolarHBondContact OD1-CA 3.21Å; D173-S175 PolarHBondContact OD1-N 3.24Å; D173-S175 PolarHBondContact OD1-OG 2.91Å; D173-S175 PolarHBondContact OD2-OG 3.23Å; S175-K177 PolarHBondContact O-N 3.38Å; S175-K177 WeakPolarHBondContact OG-CB 3.12Å; S175-K177 PolarHBondContact OG-N 2.99Å
176G90.6Very high94.9Very high2 Ų224.6 Ų24.62%0.02113%0.134CC..SBendtrans71.7-2.7-169.500000115.2H131 D173H131-G176 WeakPolarHBondContact NE2-CA 3.21Å; H131-G176 PolarHBondContact NE2-O 3.34Å; D173-G176 PolarHBondContact O-N 2.78Å; D173-G176 VanDerWaalsContact O-N 3.14Å; D173-G176 WeakPolarHBondContact OD1-CA 3.48Å; D173-G176 PolarHBondContact OD1-N 2.94Å
177K92.7Very high94.9Very high100 Ų10025.6 Ų25.644%0.43514%0.137SC..SBendtrans-74.7-37-174.5-174.5176.4178-179.30112.4D173 S175 F193 T194D173-K177 PolarHBondContact OD1-N 2.84Å; S175-K177 PolarHBondContact O-N 3.38Å; S175-K177 WeakPolarHBondContact OG-CB 3.12Å; S175-K177 PolarHBondContact OG-N 2.99Å; K177-F193 WeakPolarHBondContact O-CB 3.42Å; K177-F193 PolarHBondContact O-N 2.95Å; K177-T194 HydrophobicContact CG-CG2 4.5Å
178F94.3Very high94.9Very high48 Ų4825.7 Ų25.721%0.21114%0.137CC..EExtended strand (participates in β ladder)trans-109.6139.2-178-59-64.4000111.2D173 L190 W191 I199 F214D173-F178 HydrophobicContact CB-CB 4.21Å; D173-F178 PolarHBondContact N-O 2.9Å; F178-L190 HydrophobicContact CB-CD1 4.04Å; F178-W191 WeakPolarHBondContact CA-O 3.34Å; F178-I199 HydrophobicContact CD1-CD1 3.55Å; F178-I199 HydrophobicContact CE1-CD1 3.35Å; F178-F214 HydrophobicContact CB-CZ 4.21Å
179L95.9Very high94.9Very high0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans-114.3132.3169.717576.1000107.6V138 I146 L160 V170 F172 W191 F193V138-L179 HydrophobicContact CG1-CD2 4.27Å; V138-L179 HydrophobicContact CG2-CD2 4.41Å; I146-L179 HydrophobicContact CG2-CD2 4.23Å; L160-L179 HydrophobicContact CD1-CD2 3.61Å; V170-L179 HydrophobicContact CB-CD1 4.2Å; F172-L179 HydrophobicContact CD1-CB 4.19Å; F172-L179 HydrophobicContact CD1-CD1 3.87Å; F172-L179 HydrophobicContact CD2-CD1 4.42Å; F172-L179 HydrophobicContact CE1-CB 4.05Å; F172-L179 HydrophobicContact CE1-CD1 3.69Å; F172-L179 HydrophobicContact CE1-CG 4.38Å; F172-L179 HydrophobicContact CE2-CD1 4.24Å; F172-L179 HydrophobicContact CG-CD1 4.24Å; F172-L179 HydrophobicContact CZ-CD1 3.9Å; L179-W191 HydrophobicContact CB-CB 4.25Å; L179-W191 PolarHBondContact N-O 3.31Å; L179-W191 PolarHBondContact O-N 2.94Å; L179-F193 HydrophobicContact CB-CD2 4.46Å
180A96.6Very high94.9Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-110144.2169.300000110.5V170 A171 K189 L190 V212 F214 L221V170-A180 CarbonylContact C-O 3.54Å; V170-A180 VanDerWaalsContact CA-O 3.26Å; V170-A180 WeakPolarHBondContact CA-O 3.45Å; A171-A180 PolarHBondContact N-O 3.44Å; A171-A180 PolarHBondContact O-N 3.41Å; A180-K189 WeakPolarHBondContact CA-O 3.39Å; A180-L190 HydrophobicContact CB-CD1 4.36Å; A180-V212 HydrophobicContact CB-CG2 3.98Å; A180-F214 HydrophobicContact CB-CD2 4.45Å; A180-F214 HydrophobicContact CB-CE2 3.47Å; A180-F214 VanDerWaalsContact CB-CE2 3.47Å; A180-F214 HydrophobicContact CB-CZ 3.68Å; A180-L221 HydrophobicContact CB-CD1 3.16Å
181S96.8Very high94.9Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-134.2146.2176.162.40000110.9I146 H163 D169 V188 K189 W191I146-S181 WeakPolarHBondContact CD1-OG 3.4Å; H163-S181 PolarHBondContact CD2-OG 3.26Å; H163-S181 PolarHBondContact NE2-OG 2.64Å; D169-S181 WeakPolarHBondContact O-CA 3.44Å; S181-V188 CarbonylContact O-C 3.51Å; S181-V188 VanDerWaalsContact O-CA 3.28Å; S181-V188 WeakPolarHBondContact O-CA 3.27Å; S181-V188 WeakPolarHBondContact O-CG1 3.3Å; S181-K189 PolarHBondContact N-O 3.01Å; S181-K189 PolarHBondContact O-N 3.35Å; S181-W191 PolarHBondContact OG-NE1 2.81Å
182C96.1Very high94.8Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-123.2149.6175.472.40000111.2V167 Q168 D169 V188 V209 V212V167-C182 CarbonylContact C-O 3.53Å; V167-C182 WeakPolarHBondContact CA-O 3.42Å; V167-C182 VanDerWaalsContact CG1-O 3.31Å; V167-C182 WeakPolarHBondContact CG1-O 3.42Å; Q168-C182 PolarHBondContact N-O 3.23Å; D169-C182 VanDerWaalsContact CB-SG 3.54Å; D169-C182 PolarHBondContact N-SG 2.64Å; D169-C182 VanDerWaalsContact N-SG 3.44Å; D169-C182 PolarHBondContact O-N 2.88Å; C182-V188 HydrophobicContact CB-CG2 4.09Å; C182-V209 HydrophobicContact CB-CB 3.83Å; C182-V209 HydrophobicContact CB-CG1 3.48Å; C182-V209 VanDerWaalsContact CB-CG1 3.48Å; C182-V209 PolarHBondContact SG-O 3.43Å; C182-V212 HydrophobicContact CB-CB 4.14Å; C182-V212 HydrophobicContact CB-CG1 4.3Å
183S96.7Very high94.6Very high0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-139.9164.8-174.4167.70000112.7H163 D165 S166 D185 M186 Q187 V209H163-S183 WeakPolarHBondContact ND1-CB 3.33Å; D165-S183 PolarHBondContact O-OG 3.37Å; S166-S183 CarbonylContact O-C 3.52Å; S166-S183 VanDerWaalsContact O-CA 3.22Å; S166-S183 WeakPolarHBondContact O-CA 3.4Å; S166-S183 WeakPolarHBondContact O-CB 3.32Å; S166-S183 PolarHBondContact O-OG 3.2Å; S166-S183 VanDerWaalsContact O-OG 3.05Å; S183-D185 WeakPolarHBondContact CB-OD1 3.32Å; S183-D185 PolarHBondContact O-N 2.98Å; S183-D185 VanDerWaalsContact OG-CG 3.29Å; S183-D185 PolarHBondContact OG-N 2.82Å; S183-D185 VanDerWaalsContact OG-N 3.14Å; S183-D185 PolarHBondContact OG-OD1 2.87Å; S183-M186 PolarHBondContact O-N 3.2Å; S183-Q187 PolarHBondContact N-O 3.11Å; S183-V209 PolarHBondContact O-N 3.23Å
184A95.6Very high94.4Very high19 Ų1928 Ų2816%0.15715%0.153CC..THydrogen-bonded Turntrans-62.1-15.1168.300000113.4D165 S166 M186 N208D165-A184 HydrophobicContact CB-CB 4.01Å; S166-A184 PolarHBondContact O-N 3.48Å; A184-M186 PolarHBondContact O-N 2.93Å; A184-M186 VanDerWaalsContact O-N 3.1Å; A184-N208 HydrophobicContact CB-CB 4.34Å
185D94.6Very high94.4Very high24 Ų2429.7 Ų29.713%0.12816%0.157CC..THydrogen-bonded Turntrans-71.16.2172.869.88.6000114.5H163 T164 D165 S183 Q187H163-D185 WeakPolarHBondContact CA-OD2 3.47Å; H163-D185 IonicContact CE1-OD1 2.98Å; H163-D185 IonicContact CE1-OD2 3.19Å; H163-D185 IonicContact CG-OD2 3.4Å; H163-D185 IonicContact ND1-OD1 3.67Å; H163-D185 PolarHBondContact ND1-OD1 2.78Å; H163-D185 IonicContact ND1-OD2 3.37Å; H163-D185 PolarHBondContact ND1-OD2 3.2Å; T164-D185 PolarHBondContact N-OD2 3.28Å; T164-D185 WeakPolarHBondContact OG1-CB 3.31Å; D165-D185 HydrophobicContact CB-CB 4.05Å; S183-D185 WeakPolarHBondContact CB-OD1 3.32Å; S183-D185 PolarHBondContact O-N 2.98Å; S183-D185 VanDerWaalsContact OG-CG 3.29Å; S183-D185 PolarHBondContact OG-N 2.82Å; S183-D185 VanDerWaalsContact OG-N 3.14Å; S183-D185 PolarHBondContact OG-OD1 2.87Å; D185-Q187 PolarHBondContact O-N 2.88Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.41Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.48Å; D185-Q187 PolarHBondContact OD1-N 3.3Å
186M95.8Very high94.3Very high77 Ų7729.6 Ų29.638%0.37915%0.147SC..SBendtrans68.89.5180-43.2176.5-17500113.9S183 A184S183-M186 PolarHBondContact O-N 3.2Å; A184-M186 PolarHBondContact O-N 2.93Å; A184-M186 VanDerWaalsContact O-N 3.1Å
187Q95.5Very high94.4Very high42 Ų4235.5 Ų35.520%0.19617%0.174CC..EExtended strand (participates in β ladder)trans-105.1149.4-179.5-53.8-58.6-33.400111.9S183 D185 T201 L202 T203S183-Q187 PolarHBondContact N-O 3.11Å; D185-Q187 PolarHBondContact O-N 2.88Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.41Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.48Å; D185-Q187 PolarHBondContact OD1-N 3.3Å; Q187-T201 HydrophobicContact CB-CG2 3.97Å; Q187-T201 HydrophobicContact CG-CG2 4Å; Q187-L202 PolarHBondContact OE1-O 3.09Å; Q187-T203 VanDerWaalsContact OE1-CA 3.22Å
188V96.5Very high94.5Very high1 Ų133.2 Ų33.21%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-111.4124.6160.2-178.70000108.1S181 C182 L202 V209 V212 L221S181-V188 CarbonylContact O-C 3.51Å; S181-V188 VanDerWaalsContact O-CA 3.28Å; S181-V188 WeakPolarHBondContact O-CA 3.27Å; S181-V188 WeakPolarHBondContact O-CG1 3.3Å; C182-V188 HydrophobicContact CB-CG2 4.09Å; V188-L202 HydrophobicContact CB-CB 4.14Å; V188-L202 HydrophobicContact CB-CD1 4.18Å; V188-L202 HydrophobicContact CB-CG 4.5Å; V188-L202 HydrophobicContact CG1-CD1 4.08Å; V188-L202 PolarHBondContact N-O 2.7Å; V188-L202 VanDerWaalsContact N-O 3.14Å; V188-L202 WeakPolarHBondContact O-CB 3.37Å; V188-L202 PolarHBondContact O-N 2.67Å; V188-V209 HydrophobicContact CG2-CG1 3.92Å; V188-V209 HydrophobicContact CG2-CG2 4.41Å; V188-V212 HydrophobicContact CG1-CG2 4.07Å; V188-L221 HydrophobicContact CG1-CD2 3.87Å
189K96.2Very high94.4Very high26 Ų2634.7 Ų34.711%0.11318%0.18CC..EExtended strand (participates in β ladder)trans-105.6138.2177.7-71.9178.6-178.1-79.40110.2G162 A180 S181 W191 K200 T201G162-K189 WeakPolarHBondContact O-CE 3.49Å; A180-K189 WeakPolarHBondContact CA-O 3.39Å; S181-K189 PolarHBondContact N-O 3.01Å; S181-K189 PolarHBondContact O-N 3.35Å; K189-W191 HydrophobicContact CB-CZ2 3.94Å; K189-W191 HydrophobicContact CD-CH2 4.31Å; K189-W191 HydrophobicContact CD-CZ2 3.7Å; K189-W191 HydrophobicContact CG-CZ2 4.47Å; K189-K200 WeakPolarHBondContact CA-O 3.36Å; K189-T201 HydrophobicContact CG-CG2 4.17Å; K189-T201 PolarHBondContact NZ-OG1 3.03Å
190L96.3Very high94.3Very high7 Ų737.5 Ų37.54%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-105.7126.4173.2-171.773.1000108.7F178 A180 C198 I199 K200 F214 V235F178-L190 HydrophobicContact CB-CD1 4.04Å; A180-L190 HydrophobicContact CB-CD1 4.36Å; L190-C198 CarbonylContact O-C 3.47Å; L190-I199 PolarHBondContact O-N 3.29Å; L190-K200 HydrophobicContact CB-CB 4.28Å; L190-K200 PolarHBondContact N-O 2.94Å; L190-K200 PolarHBondContact O-N 2.67Å; L190-F214 HydrophobicContact CD1-CE1 4.14Å; L190-F214 HydrophobicContact CD1-CZ 3.65Å; L190-V235 HydrophobicContact CD1-CG1 4.43Å; L190-V235 HydrophobicContact CD2-CG1 3.74Å
191W95.6Very high94.3Very high7 Ų740.4 Ų40.43%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-116137.8-176.1-51.684.9000110L160 K161 F178 L179 S181 K189 F193 Q197 C198L160-W191 HydrophobicContact CB-CD2 4.47Å; L160-W191 HydrophobicContact CB-CE3 4.11Å; L160-W191 HydrophobicContact CB-CH2 4.32Å; L160-W191 HydrophobicContact CB-CZ3 4.02Å; L160-W191 HydrophobicContact CD1-CB 4.45Å; L160-W191 HydrophobicContact CD1-CD2 4.2Å; L160-W191 HydrophobicContact CD1-CE3 4.32Å; L160-W191 HydrophobicContact CD1-CG 4.25Å; L160-W191 HydrophobicContact CD2-CE3 4.16Å; L160-W191 HydrophobicContact CG-CE3 4.44Å; K161-W191 WeakPolarHBondContact O-CH2 3.47Å; F178-W191 WeakPolarHBondContact CA-O 3.34Å; L179-W191 HydrophobicContact CB-CB 4.25Å; L179-W191 PolarHBondContact N-O 3.31Å; L179-W191 PolarHBondContact O-N 2.94Å; S181-W191 PolarHBondContact OG-NE1 2.81Å; K189-W191 HydrophobicContact CB-CZ2 3.94Å; K189-W191 HydrophobicContact CD-CH2 4.31Å; K189-W191 HydrophobicContact CD-CZ2 3.7Å; K189-W191 HydrophobicContact CG-CZ2 4.47Å; W191-F193 PolarHBondContact O-N 3Å; W191-Q197 CarbonylContact C-O 3.6Å; W191-Q197 WeakPolarHBondContact CA-O 3.27Å; W191-C198 HydrophobicContact CD2-CB 4.27Å; W191-C198 HydrophobicContact CE3-CB 3.73Å; W191-C198 HydrophobicContact CH2-CB 4.07Å; W191-C198 HydrophobicContact CZ3-CB 3.62Å
192D94.4Very high94.2Very high20 Ų2041 Ų4111%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-76.8117.2162.4-160.8-42000108T194 I195 Y196 Q197 I199D192-T194 VanDerWaalsContact C-N 3.25Å; D192-T194 PolarHBondContact O-N 3.19Å; D192-T194 WeakPolarHBondContact OD1-CB 3.45Å; D192-T194 PolarHBondContact OD1-N 2.97Å; D192-T194 PolarHBondContact OD1-OG1 2.7Å; D192-I195 HydrophobicContact CB-CB 4.43Å; D192-Y196 VanDerWaalsContact O-CA 3.23Å; D192-Y196 WeakPolarHBondContact O-CA 3.34Å; D192-Y196 PolarHBondContact O-N 2.94Å; D192-Q197 PolarHBondContact N-O 2.83Å; D192-Q197 PolarHBondContact O-N 2.94Å; D192-I199 HydrophobicContact CB-CD1 3.72Å; D192-I199 HydrophobicContact CB-CG1 3.9Å
193F91.6Very high94.1Very high5 Ų545.4 Ų45.42%0.02224%0.24CC..THydrogen-bonded Turntrans-73.8-19.5179.5-164.2-104.7000112.4H131 Y134 V136 V138 V148 F172 K177 L179 W191 Y196H131-F193 AromaticContact CD2-CD1 3.56Å; H131-F193 AromaticContact CD2-CE1 3.4Å; H131-F193 WeakPolarHBondContact CD2-CE1 3.49Å; H131-F193 AromaticContact CD2-CZ 3.98Å; H131-F193 AromaticContact NE2-CD1 3.72Å; H131-F193 AromaticContact NE2-CE1 3.92Å; Y134-F193 HydrophobicContact CD2-CD1 4.37Å; Y134-F193 HydrophobicContact CD2-CE1 4.18Å; V136-F193 HydrophobicContact CG2-CE1 3.81Å; V136-F193 HydrophobicContact CG2-CZ 3.63Å; V138-F193 HydrophobicContact CG2-CE2 3.84Å; V138-F193 HydrophobicContact CG2-CZ 4.46Å; V148-F193 HydrophobicContact CG1-CE2 4.27Å; V148-F193 HydrophobicContact CG1-CZ 3.9Å; V148-F193 HydrophobicContact CG2-CE2 4.03Å; V148-F193 HydrophobicContact CG2-CZ 4.48Å; F172-F193 AromaticContact CE1-CD2 3.72Å; F172-F193 HydrophobicContact CE1-CD2 3.72Å; F172-F193 AromaticContact CE1-CE2 3.88Å; F172-F193 HydrophobicContact CE1-CE2 3.88Å; F172-F193 HydrophobicContact CE1-CG 4.07Å; F172-F193 HydrophobicContact CE1-CZ 4.37Å; F172-F193 HydrophobicContact CZ-CD2 4.25Å; F172-F193 AromaticContact CZ-CE2 3.94Å; F172-F193 HydrophobicContact CZ-CE2 3.94Å; F172-F193 HydrophobicContact CZ-CZ 4.29Å; K177-F193 WeakPolarHBondContact O-CB 3.42Å; K177-F193 PolarHBondContact O-N 2.95Å; L179-F193 HydrophobicContact CB-CD2 4.46Å; W191-F193 PolarHBondContact O-N 3Å; F193-Y196 HydrophobicContact CD2-CE1 4.16Å; F193-Y196 HydrophobicContact CE1-CE1 4.49Å; F193-Y196 AromaticContact CE2-CE1 3.97Å; F193-Y196 HydrophobicContact CE2-CE1 3.97Å; F193-Y196 HydrophobicContact CZ-CE1 4.14Å; F193-Y196 VanDerWaalsContact O-CE1 3.31Å; F193-Y196 WeakPolarHBondContact O-CE1 3.34Å
194T88.9Confident93.9Very high81 Ų8147 Ų4750%0.49726%0.257SS..THydrogen-bonded Turntrans-80.6-35.1179.865.50000112.8K177 D192K177-T194 HydrophobicContact CG-CG2 4.5Å; D192-T194 VanDerWaalsContact C-N 3.25Å; D192-T194 PolarHBondContact O-N 3.19Å; D192-T194 WeakPolarHBondContact OD1-CB 3.45Å; D192-T194 PolarHBondContact OD1-N 2.97Å; D192-T194 PolarHBondContact OD1-OG1 2.7Å
195I89.9Confident93.8Very high100 Ų10046.6 Ų46.651%0.51325%0.251SS..THydrogen-bonded Turntrans-102.9-12.7-178.4-48.4174.3000111.1D192 Q197D192-I195 HydrophobicContact CB-CB 4.43Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 HydrophobicContact CG2-CB 4.39Å; I195-Q197 HydrophobicContact CG2-CG 3.92Å; I195-Q197 PolarHBondContact O-N 2.78Å
196Y90.7Very high93.8Very high62 Ų6251.7 Ų51.724%0.24328%0.279CS..THydrogen-bonded Turntrans58.436.8-175.2-59-69.5000113.3V148 H158 L160 D192 F193V148-Y196 HydrophobicContact CG2-CD1 4.44Å; V148-Y196 HydrophobicContact CG2-CE1 4.02Å; H158-Y196 HydrophobicContact CB-CD1 4.34Å; H158-Y196 HydrophobicContact CB-CE1 4.4Å; H158-Y196 HydrophobicContact CB-CG 4.44Å; H158-Y196 AromaticContact CD2-CD2 3.71Å; H158-Y196 AromaticContact CD2-CE2 3.26Å; H158-Y196 WeakPolarHBondContact CD2-CE2 3.34Å; H158-Y196 AromaticContact CD2-CZ 3.55Å; H158-Y196 AromaticContact CG-CD2 3.96Å; H158-Y196 AromaticContact CG-CE2 3.95Å; H158-Y196 AromaticContact NE2-CD2 3.87Å; H158-Y196 AromaticContact NE2-CE2 3.52Å; L160-Y196 HydrophobicContact CD2-CD1 3.99Å; L160-Y196 HydrophobicContact CD2-CG 4.29Å; L160-Y196 WeakPolarHBondContact CD2-O 3.38Å; D192-Y196 VanDerWaalsContact O-CA 3.23Å; D192-Y196 WeakPolarHBondContact O-CA 3.34Å; D192-Y196 PolarHBondContact O-N 2.94Å; F193-Y196 HydrophobicContact CD2-CE1 4.16Å; F193-Y196 HydrophobicContact CE1-CE1 4.49Å; F193-Y196 AromaticContact CE2-CE1 3.97Å; F193-Y196 HydrophobicContact CE2-CE1 3.97Å; F193-Y196 HydrophobicContact CZ-CE1 4.14Å; F193-Y196 VanDerWaalsContact O-CE1 3.31Å; F193-Y196 WeakPolarHBondContact O-CE1 3.34Å
197Q92.5Very high93.8Very high126 Ų12651.4 Ų51.459%0.58928%0.276SS*.EExtended strand (participates in β ladder)trans-119146.9-178.8-73.3-1771.200111.8W191 D192 I195 I199W191-Q197 CarbonylContact C-O 3.6Å; W191-Q197 WeakPolarHBondContact CA-O 3.27Å; D192-Q197 PolarHBondContact N-O 2.83Å; D192-Q197 PolarHBondContact O-N 2.94Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 HydrophobicContact CG2-CB 4.39Å; I195-Q197 HydrophobicContact CG2-CG 3.92Å; I195-Q197 PolarHBondContact O-N 2.78Å; Q197-I199 PolarHBondContact O-N 2.94Å
198C93.4Very high93.8Very high52 Ų5250.4 Ų50.435%0.35127%0.272SS..EExtended strand (participates in β ladder)trans-73.7118172.6-179.10000109.3L190 W191 K200L190-C198 CarbonylContact O-C 3.47Å; W191-C198 HydrophobicContact CD2-CB 4.27Å; W191-C198 HydrophobicContact CE3-CB 3.73Å; W191-C198 HydrophobicContact CH2-CB 4.07Å; W191-C198 HydrophobicContact CZ3-CB 3.62Å; C198-K200 PolarHBondContact SG-O 3.02Å
199I94.1Very high93.8Very high79 Ų7950.3 Ų50.341%0.40527%0.272SS..EExtended strand (participates in β ladder)trans-84-47.9177.5-54.4164000110F178 L190 D192 Q197F178-I199 HydrophobicContact CD1-CD1 3.55Å; F178-I199 HydrophobicContact CE1-CD1 3.35Å; L190-I199 PolarHBondContact O-N 3.29Å; D192-I199 HydrophobicContact CB-CD1 3.72Å; D192-I199 HydrophobicContact CB-CG1 3.9Å; Q197-I199 PolarHBondContact O-N 2.94Å
200K93.8Very high93.8Very high60 Ų6049.7 Ų49.726%0.26127%0.271SS..EExtended strand (participates in β ladder)trans-140148.9-175.4-60.5-173-172.9-107.80111.3K189 L190 C198 L202 S236 T237K189-K200 WeakPolarHBondContact CA-O 3.36Å; L190-K200 HydrophobicContact CB-CB 4.28Å; L190-K200 PolarHBondContact N-O 2.94Å; L190-K200 PolarHBondContact O-N 2.67Å; C198-K200 PolarHBondContact SG-O 3.02Å; K200-L202 HydrophobicContact CB-CD2 4.38Å; K200-S236 WeakPolarHBondContact CE-O 3.22Å; K200-S236 PolarHBondContact NZ-O 2.87Å; K200-T237 VanDerWaalsContact NZ-C 3.28Å; K200-T237 PolarHBondContact NZ-O 2.65Å
201T95.2Very high93.8Very high60 Ų6049.4 Ų49.437%0.36827%0.269SS..EExtended strand (participates in β ladder)trans-117.2119.6167-60.30000107.4Q187 K189 T203Q187-T201 HydrophobicContact CB-CG2 3.97Å; Q187-T201 HydrophobicContact CG-CG2 4Å; K189-T201 HydrophobicContact CG-CG2 4.17Å; K189-T201 PolarHBondContact NZ-OG1 3.03Å; T201-T203 HydrophobicContact CG2-CG2 4.49Å
202L95Very high93.9Very high12 Ų1249.1 Ų49.16%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-96.1106.6-177.8-47.9176.1000108.4Q187 V188 K200 L221 W233 G238Q187-L202 PolarHBondContact OE1-O 3.09Å; V188-L202 HydrophobicContact CB-CB 4.14Å; V188-L202 HydrophobicContact CB-CD1 4.18Å; V188-L202 HydrophobicContact CB-CG 4.5Å; V188-L202 HydrophobicContact CG1-CD1 4.08Å; V188-L202 PolarHBondContact N-O 2.7Å; V188-L202 VanDerWaalsContact N-O 3.14Å; V188-L202 WeakPolarHBondContact O-CB 3.37Å; V188-L202 PolarHBondContact O-N 2.67Å; K200-L202 HydrophobicContact CB-CD2 4.38Å; L202-L221 HydrophobicContact CD1-CD2 4.14Å; L202-W233 HydrophobicContact CB-CD2 4.17Å; L202-W233 HydrophobicContact CB-CE3 3.9Å; L202-W233 HydrophobicContact CB-CH2 4.43Å; L202-W233 HydrophobicContact CB-CZ3 4.04Å; L202-W233 HydrophobicContact CD1-CB 3.9Å; L202-W233 HydrophobicContact CD1-CD2 4.07Å; L202-W233 HydrophobicContact CD1-CE3 4.34Å; L202-W233 HydrophobicContact CD1-CG 3.87Å; L202-W233 HydrophobicContact CD2-CE3 4.42Å; L202-W233 HydrophobicContact CG-CE3 4.45Å; L202-G238 VanDerWaalsContact CD2-CA 3.44Å; L202-G238 VanDerWaalsContact CD2-O 3.3Å; L202-G238 WeakPolarHBondContact CD2-O 3.16Å
203T93.8Very high94Very high93 Ų9348.3 Ų48.357%0.57127%0.265SS*.EExtended strand (participates in β ladder)trans-99.2132.9178.7580000109.4Q187 T201Q187-T203 VanDerWaalsContact OE1-CA 3.22Å; T201-T203 HydrophobicContact CG2-CG2 4.49Å
204G92Very high94.1Very high35 Ų3548.9 Ų48.936%0.36127%0.267SS..  trans159.50.2168.600000116.5K231G204-K231 WeakPolarHBondContact O-CE 3.49Å; G204-K231 PolarHBondContact O-NZ 3.46Å
205H94.7Very high94.4Very high9 Ų945.3 Ų45.34%0.04225%0.245CC..  trans-84146.7163.1-82-64.9000110.3V209 S223 S225 D227H205-V209 HydrophobicContact CB-CG2 3.86Å; H205-S223 PolarHBondContact CD2-OG 3.26Å; H205-S223 PolarHBondContact NE2-OG 2.91Å; H205-S225 WeakPolarHBondContact ND1-CB 3.32Å; H205-D227 WeakPolarHBondContact CA-OD2 3.35Å; H205-D227 IonicContact CE1-OD2 3.41Å; H205-D227 IonicContact CG-OD2 3.34Å; H205-D227 IonicContact ND1-OD1 3.56Å; H205-D227 IonicContact ND1-OD2 3.94Å; H205-D227 PolarHBondContact ND1-OD2 3.1Å
206D94.7Very high94.4Very high132 Ų13243.2 Ų43.271%0.70624%0.238SC*.SBendtrans-94.7-1.7-178-62.5-42000112.9D227D206-D227 HydrophobicContact CB-CB 4.25Å; D206-D227 PolarHBondContact N-OD2 2.76Å
207H95.8Very high94.4Very high70 Ų7043.9 Ų43.932%0.32425%0.251SS..SBendtrans-154.3169.1179.9-149.2-63.7000111V209 S225 R226 D227H207-V209 PolarHBondContact O-N 2.77Å; H207-S225 PolarHBondContact O-OG 3.44Å; H207-R226 HydrophobicContact CB-CB 4Å; H207-R226 HydrophobicContact CB-CG 4.45Å; H207-R226 VanDerWaalsContact CE1-CD 3.42Å; H207-R226 WeakPolarHBondContact CE1-CD 3.35Å; H207-R226 WeakPolarHBondContact ND1-CD 3.43Å; H207-D227 HydrophobicContact CB-CB 4.22Å
208N95.2Very high94.3Very high21 Ų2138.5 Ų38.511%0.11223%0.23CC..  trans-32.7123172.9-177.6-14.7000113.7Q168 A184 S225 R226Q168-N208 WeakPolarHBondContact CG-OD1 3.46Å; A184-N208 HydrophobicContact CB-CB 4.34Å; N208-S225 WeakPolarHBondContact O-CA 3.44Å; N208-S225 PolarHBondContact O-OG 3.12Å; N208-R226 PolarHBondContact O-N 2.92Å
209V96.7Very high94.3Very high0 Ų040.7 Ų40.70%024%0.238CC..EExtended strand (participates in β ladder)trans-91.1113176-170.90000109.1Q168 C182 S183 V188 H205 H207 A224Q168-V209 WeakPolarHBondContact CB-O 3.44Å; Q168-V209 WeakPolarHBondContact CG-O 3.32Å; C182-V209 HydrophobicContact CB-CB 3.83Å; C182-V209 HydrophobicContact CB-CG1 3.48Å; C182-V209 VanDerWaalsContact CB-CG1 3.48Å; C182-V209 PolarHBondContact SG-O 3.43Å; S183-V209 PolarHBondContact O-N 3.23Å; V188-V209 HydrophobicContact CG2-CG1 3.92Å; V188-V209 HydrophobicContact CG2-CG2 4.41Å; H205-V209 HydrophobicContact CB-CG2 3.86Å; H207-V209 PolarHBondContact O-N 2.77Å; V209-A224 CarbonylContact C-O 3.57Å; V209-A224 WeakPolarHBondContact CA-O 3.36Å; V209-A224 VanDerWaalsContact CG1-O 3.26Å; V209-A224 WeakPolarHBondContact CG1-O 3.3Å
210S96Very high94.3Very high13 Ų1340 Ų409%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-89.4-27.2-171.536.90000114.1A224 W250 I251 R252S210-A224 PolarHBondContact N-O 3.28Å; S210-A224 PolarHBondContact OG-O 2.8Å; S210-A224 VanDerWaalsContact OG-O 3.13Å; S210-W250 PolarHBondContact OG-NE1 3.37Å; S210-I251 PolarHBondContact OG-O 2.94Å; S210-R252 WeakPolarHBondContact CB-O 3.38Å
211S96.3Very high94.4Very high1 Ų137.2 Ų37.21%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-149.9150.1-178.1-177.10000112.7D169 S223 A224 R252 V254D169-S211 WeakPolarHBondContact OD2-CA 3.44Å; D169-S211 WeakPolarHBondContact OD2-CB 3.26Å; D169-S211 PolarHBondContact OD2-OG 2.88Å; S211-S223 VanDerWaalsContact O-CA 3.31Å; S211-S223 WeakPolarHBondContact O-CA 3.35Å; S211-A224 PolarHBondContact N-O 2.84Å; S211-A224 PolarHBondContact O-N 3.49Å; S211-R252 WeakPolarHBondContact CB-O 3.33Å; S211-V254 PolarHBondContact OG-N 2.8Å
212V96.6Very high94.5Very high0 Ų034.4 Ų34.40%020%0.203CC..EExtended strand (participates in β ladder)trans-138.9141.7178.167.50000110.7D169 A171 A180 C182 V188 L221 V222D169-V212 HydrophobicContact CB-CG1 4.23Å; D169-V212 PolarHBondContact OD2-N 3Å; D169-V212 VanDerWaalsContact OD2-N 3.12Å; A171-V212 HydrophobicContact CB-CG1 4.18Å; A171-V212 WeakPolarHBondContact CB-O 3.27Å; A180-V212 HydrophobicContact CB-CG2 3.98Å; C182-V212 HydrophobicContact CB-CB 4.14Å; C182-V212 HydrophobicContact CB-CG1 4.3Å; V188-V212 HydrophobicContact CG1-CG2 4.07Å; V212-L221 HydrophobicContact CG2-CD1 3.6Å; V212-L221 HydrophobicContact CG2-CD2 3.67Å; V212-L221 HydrophobicContact CG2-CG 3.74Å; V212-V222 CarbonylContact C-O 3.54Å; V212-V222 WeakPolarHBondContact CA-O 3.33Å
213A96.4Very high94.6Very high4 Ų433.8 Ų33.83%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-150.6141.6175.800000111.5V222 P256A213-V222 PolarHBondContact N-O 2.88Å; A213-V222 PolarHBondContact O-N 3.01Å; A213-P256 HydrophobicContact CB-CG 4.42Å
214F95.4Very high94.7Very high16 Ų1629.4 Ų29.47%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-81.9143.2168.2-75.2-87.8000110.7A171 F172 D173 F178 A180 L190 L221 V235 P256A171-F214 HydrophobicContact CB-CD2 3.96Å; A171-F214 HydrophobicContact CB-CE2 4.4Å; A171-F214 WeakPolarHBondContact O-CE2 3.3Å; F172-F214 VanDerWaalsContact O-CD2 3.24Å; F172-F214 WeakPolarHBondContact O-CD2 3.15Å; D173-F214 HydrophobicContact CB-CD1 3.97Å; D173-F214 HydrophobicContact CB-CD2 4.22Å; D173-F214 HydrophobicContact CB-CE1 4.03Å; D173-F214 HydrophobicContact CB-CE2 4.27Å; D173-F214 HydrophobicContact CB-CG 4.05Å; D173-F214 HydrophobicContact CB-CZ 4.17Å; F178-F214 HydrophobicContact CB-CZ 4.21Å; A180-F214 HydrophobicContact CB-CD2 4.45Å; A180-F214 HydrophobicContact CB-CE2 3.47Å; A180-F214 VanDerWaalsContact CB-CE2 3.47Å; A180-F214 HydrophobicContact CB-CZ 3.68Å; L190-F214 HydrophobicContact CD1-CE1 4.14Å; L190-F214 HydrophobicContact CD1-CZ 3.65Å; F214-L221 HydrophobicContact CD1-CB 4.34Å; F214-L221 HydrophobicContact CD1-CD1 4.16Å; F214-L221 HydrophobicContact CD2-CD1 4.26Å; F214-L221 HydrophobicContact CE1-CB 4.4Å; F214-L221 HydrophobicContact CE1-CD1 3.81Å; F214-L221 HydrophobicContact CE2-CD1 3.91Å; F214-L221 HydrophobicContact CG-CD1 4.39Å; F214-L221 HydrophobicContact CZ-CD1 3.69Å; F214-V235 HydrophobicContact CD1-CG2 4.19Å; F214-V235 HydrophobicContact CE1-CG2 3.81Å; F214-P256 VanDerWaalsContact O-CG 3.25Å; F214-P256 WeakPolarHBondContact O-CG 3.17Å
215L93.8Very high94.9Very high7 Ų727.7 Ų27.74%0.03716%0.156CC..  trans-68.8152.4165.8-84.8151.3000110.2S217 G218 F220 V222 M232 P256 G260 L263 V277L215-S217 PolarHBondContact O-N 3.48Å; L215-S217 VanDerWaalsContact O-N 3.11Å; L215-G218 PolarHBondContact O-N 3.25Å; L215-F220 HydrophobicContact CB-CB 4.35Å; L215-F220 HydrophobicContact CD1-CB 3.35Å; L215-F220 HydrophobicContact CD1-CD2 4.5Å; L215-F220 HydrophobicContact CD1-CG 4.25Å; L215-F220 HydrophobicContact CG-CB 4.39Å; L215-F220 PolarHBondContact N-O 2.83Å; L215-V222 HydrophobicContact CD1-CG2 4.05Å; L215-V222 HydrophobicContact CG-CG2 4.38Å; L215-M232 HydrophobicContact CD1-CE 3.68Å; L215-M232 HydrophobicContact CD1-SD 4.16Å; L215-P256 HydrophobicContact CD2-CB 3.84Å; L215-P256 HydrophobicContact CG-CB 4.44Å; L215-G260 VanDerWaalsContact CD2-O 3.31Å; L215-G260 WeakPolarHBondContact CD2-O 3.18Å; L215-L263 HydrophobicContact CD2-CD2 4.45Å; L215-V277 HydrophobicContact CD2-CG2 4.38Å
216P91.1Very high95Very high55 Ų5533 Ų3336%0.35718%0.175SC..THydrogen-bonded Turntrans-58.7-23.9-178.8-25.834.9000114.8P174 G218 S257 P258P174-P216 WeakPolarHBondContact CG-O 3.33Å; P216-G218 VanDerWaalsContact C-N 3.3Å; P216-S257 WeakPolarHBondContact CG-O 3.34Å; P216-P258 WeakPolarHBondContact CG-O 3.32Å
217S90.9Very high95Very high76 Ų7628.1 Ų28.153%0.53115%0.149SC..THydrogen-bonded Turntrans-73.8-20.1174.678.90000113.3L215 D219L215-S217 PolarHBondContact O-N 3.48Å; L215-S217 VanDerWaalsContact O-N 3.11Å; S217-D219 VanDerWaalsContact C-N 3.25Å; S217-D219 VanDerWaalsContact CB-OD2 3.3Å; S217-D219 WeakPolarHBondContact CB-OD2 3.3Å; S217-D219 PolarHBondContact O-N 3.26Å; S217-D219 PolarHBondContact OG-N 3.07Å; S217-D219 PolarHBondContact OG-OD2 3.17Å
218G90.6Very high95Very high14 Ų1428.7 Ų28.714%0.14415%0.151CC..SBendtrans81.7-11.6-176.500000115.2L215 P216L215-G218 PolarHBondContact O-N 3.25Å; P216-G218 VanDerWaalsContact C-N 3.3Å
219D92.6Very high95Very high97 Ų9728.7 Ų28.752%0.51915%0.151SC..SBendtrans-78-25.4-174.6-52.3-57.8000113.5S217 V235S217-D219 VanDerWaalsContact C-N 3.25Å; S217-D219 VanDerWaalsContact CB-OD2 3.3Å; S217-D219 WeakPolarHBondContact CB-OD2 3.3Å; S217-D219 PolarHBondContact O-N 3.26Å; S217-D219 PolarHBondContact OG-N 3.07Å; S217-D219 PolarHBondContact OG-OD2 3.17Å; D219-V235 WeakPolarHBondContact O-CB 3.26Å; D219-V235 WeakPolarHBondContact O-CG2 3.48Å; D219-V235 PolarHBondContact O-N 3.34Å
220F94.8Very high95Very high65 Ų6528.7 Ų28.729%0.28515%0.151SC..EExtended strand (participates in β ladder)trans-128147.5-173.1-66.1-75.4000111.5L215 M232 W233 E234 T241L215-F220 HydrophobicContact CB-CB 4.35Å; L215-F220 HydrophobicContact CD1-CB 3.35Å; L215-F220 HydrophobicContact CD1-CD2 4.5Å; L215-F220 HydrophobicContact CD1-CG 4.25Å; L215-F220 HydrophobicContact CG-CB 4.39Å; L215-F220 PolarHBondContact N-O 2.83Å; F220-M232 HydrophobicContact CB-CG 4.17Å; F220-M232 HydrophobicContact CB-SD 4.36Å; F220-M232 HydrophobicContact CD1-CG 4.1Å; F220-M232 HydrophobicContact CD1-SD 4.24Å; F220-M232 HydrophobicContact CG-CG 4.38Å; F220-M232 HydrophobicContact CG-SD 4.27Å; F220-W233 CarbonylContact C-O 3.53Å; F220-W233 VanDerWaalsContact CA-O 3.26Å; F220-W233 WeakPolarHBondContact CA-O 3.08Å; F220-E234 HydrophobicContact CD1-CB 4.13Å; F220-E234 HydrophobicContact CE1-CB 3.93Å; F220-E234 HydrophobicContact CE1-CG 4.14Å; F220-T241 HydrophobicContact CE1-CG2 4.06Å
221L95.4Very high95Very high2 Ų229.5 Ų29.51%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-122.4141.7177.1177.7135.7000109.6A180 V188 L202 V212 F214 M232 W233 V235A180-L221 HydrophobicContact CB-CD1 3.16Å; V188-L221 HydrophobicContact CG1-CD2 3.87Å; L202-L221 HydrophobicContact CD1-CD2 4.14Å; V212-L221 HydrophobicContact CG2-CD1 3.6Å; V212-L221 HydrophobicContact CG2-CD2 3.67Å; V212-L221 HydrophobicContact CG2-CG 3.74Å; F214-L221 HydrophobicContact CD1-CB 4.34Å; F214-L221 HydrophobicContact CD1-CD1 4.16Å; F214-L221 HydrophobicContact CD2-CD1 4.26Å; F214-L221 HydrophobicContact CE1-CB 4.4Å; F214-L221 HydrophobicContact CE1-CD1 3.81Å; F214-L221 HydrophobicContact CE2-CD1 3.91Å; F214-L221 HydrophobicContact CG-CD1 4.39Å; F214-L221 HydrophobicContact CZ-CD1 3.69Å; L221-M232 CarbonylContact O-C 3.58Å; L221-M232 WeakPolarHBondContact O-CA 3.37Å; L221-W233 HydrophobicContact CB-CB 4.46Å; L221-W233 HydrophobicContact CD2-CB 4.36Å; L221-W233 HydrophobicContact CD2-CG 4.25Å; L221-W233 PolarHBondContact N-O 2.89Å; L221-W233 PolarHBondContact O-N 3.23Å; L221-V235 HydrophobicContact CB-CG2 4.14Å
222V96.3Very high95Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-119.2134.8179.9-175.50000109.3V212 A213 L215 I230 K231 M232 V254 L263V212-V222 CarbonylContact C-O 3.54Å; V212-V222 WeakPolarHBondContact CA-O 3.33Å; A213-V222 PolarHBondContact N-O 2.88Å; A213-V222 PolarHBondContact O-N 3.01Å; L215-V222 HydrophobicContact CD1-CG2 4.05Å; L215-V222 HydrophobicContact CG-CG2 4.38Å; V222-I230 HydrophobicContact CG1-CG2 3.26Å; V222-K231 CarbonylContact C-O 3.55Å; V222-K231 WeakPolarHBondContact CA-O 3.32Å; V222-M232 HydrophobicContact CG2-CE 3.87Å; V222-M232 HydrophobicContact CG2-CG 4.36Å; V222-V254 HydrophobicContact CG1-CB 4.49Å; V222-V254 HydrophobicContact CG1-CG1 4.03Å; V222-V254 HydrophobicContact CG1-CG2 3.69Å; V222-L263 HydrophobicContact CB-CD2 4.42Å; V222-L263 HydrophobicContact CG1-CD1 4.13Å; V222-L263 HydrophobicContact CG1-CD2 4.33Å; V222-L263 HydrophobicContact CG2-CD1 4.11Å; V222-L263 HydrophobicContact CG2-CD2 3.87Å
223S96.9Very high95Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-126.9144.9177.159.90000111.5H205 S211 I230 K231 W233H205-S223 PolarHBondContact CD2-OG 3.26Å; H205-S223 PolarHBondContact NE2-OG 2.91Å; S211-S223 VanDerWaalsContact O-CA 3.31Å; S211-S223 WeakPolarHBondContact O-CA 3.35Å; S223-I230 CarbonylContact O-C 3.59Å; S223-I230 VanDerWaalsContact O-CA 3.24Å; S223-I230 WeakPolarHBondContact O-CA 3.31Å; S223-I230 WeakPolarHBondContact O-CG2 3.36Å; S223-K231 PolarHBondContact N-O 2.85Å; S223-K231 PolarHBondContact O-N 3.16Å; S223-W233 PolarHBondContact OG-NE1 2.75Å
224A96.6Very high95Very high0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-117.4140.4176.100000110.3V209 S210 S211 I251 V254V209-A224 CarbonylContact C-O 3.57Å; V209-A224 WeakPolarHBondContact CA-O 3.36Å; V209-A224 VanDerWaalsContact CG1-O 3.26Å; V209-A224 WeakPolarHBondContact CG1-O 3.3Å; S210-A224 PolarHBondContact N-O 3.28Å; S210-A224 PolarHBondContact OG-O 2.8Å; S210-A224 VanDerWaalsContact OG-O 3.13Å; S211-A224 PolarHBondContact N-O 2.84Å; S211-A224 PolarHBondContact O-N 3.49Å; A224-I251 HydrophobicContact CB-CB 4.04Å; A224-I251 HydrophobicContact CB-CG2 3.57Å; A224-V254 HydrophobicContact CB-CB 4.02Å; A224-V254 HydrophobicContact CB-CG1 3.77Å
225S96.7Very high94.9Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-134164.1-176172.40000113.1H205 H207 N208 D227 K228 T229 I251H205-S225 WeakPolarHBondContact ND1-CB 3.32Å; H207-S225 PolarHBondContact O-OG 3.44Å; N208-S225 WeakPolarHBondContact O-CA 3.44Å; N208-S225 PolarHBondContact O-OG 3.12Å; S225-D227 VanDerWaalsContact CB-OD1 3.31Å; S225-D227 WeakPolarHBondContact CB-OD1 3.32Å; S225-D227 PolarHBondContact O-N 2.92Å; S225-D227 PolarHBondContact OG-N 3.41Å; S225-D227 VanDerWaalsContact OG-N 3.11Å; S225-D227 PolarHBondContact OG-OD1 2.79Å; S225-K228 PolarHBondContact O-N 3.19Å; S225-T229 PolarHBondContact N-O 3.18Å; S225-I251 PolarHBondContact O-N 3.06Å
226R96.1Very high94.8Very high119 Ų11936.4 Ų36.445%0.44920%0.195SC..THydrogen-bonded Turntrans-65.5-14.4167.3-178.2162.2173.7-168.9-0.6113.5H207 N208 K228 W250H207-R226 HydrophobicContact CB-CB 4Å; H207-R226 HydrophobicContact CB-CG 4.45Å; H207-R226 VanDerWaalsContact CE1-CD 3.42Å; H207-R226 WeakPolarHBondContact CE1-CD 3.35Å; H207-R226 WeakPolarHBondContact ND1-CD 3.43Å; N208-R226 PolarHBondContact O-N 2.92Å; R226-K228 PolarHBondContact O-N 3.43Å; R226-K228 VanDerWaalsContact O-N 3.11Å; R226-W250 HydrophobicContact CB-CB 4.35Å; R226-W250 HydrophobicContact CB-CD2 3.85Å; R226-W250 HydrophobicContact CB-CG 3.72Å; R226-W250 HydrophobicContact CG-CB 4.09Å; R226-W250 HydrophobicContact CG-CD2 3.89Å; R226-W250 HydrophobicContact CG-CE3 4.17Å; R226-W250 HydrophobicContact CG-CG 3.84Å
227D94.9Very high94.9Very high30 Ų3036.3 Ų36.316%0.1619%0.193CC..THydrogen-bonded Turntrans-69.42.9171.171.212000114.2H205 D206 H207 S225 T229H205-D227 WeakPolarHBondContact CA-OD2 3.35Å; H205-D227 IonicContact CE1-OD2 3.41Å; H205-D227 IonicContact CG-OD2 3.34Å; H205-D227 IonicContact ND1-OD1 3.56Å; H205-D227 IonicContact ND1-OD2 3.94Å; H205-D227 PolarHBondContact ND1-OD2 3.1Å; D206-D227 HydrophobicContact CB-CB 4.25Å; D206-D227 PolarHBondContact N-OD2 2.76Å; H207-D227 HydrophobicContact CB-CB 4.22Å; S225-D227 VanDerWaalsContact CB-OD1 3.31Å; S225-D227 WeakPolarHBondContact CB-OD1 3.32Å; S225-D227 PolarHBondContact O-N 2.92Å; S225-D227 PolarHBondContact OG-N 3.41Å; S225-D227 VanDerWaalsContact OG-N 3.11Å; S225-D227 PolarHBondContact OG-OD1 2.79Å; D227-T229 PolarHBondContact O-N 2.87Å; D227-T229 WeakPolarHBondContact OD1-CA 3.48Å; D227-T229 VanDerWaalsContact OD1-CB 3.32Å; D227-T229 WeakPolarHBondContact OD1-CB 3.5Å; D227-T229 PolarHBondContact OD1-N 2.78Å; D227-T229 PolarHBondContact OD1-OG1 3.28Å; D227-T229 PolarHBondContact OD2-OG1 2.81Å
228K95.8Very high94.9Very high83 Ų8333.3 Ų33.336%0.36117%0.174SC..SBendtrans71.712.9178.2-43.9172.9179.7-156.30113.2S225 R226 T248 E249S225-K228 PolarHBondContact O-N 3.19Å; R226-K228 PolarHBondContact O-N 3.43Å; R226-K228 VanDerWaalsContact O-N 3.11Å; K228-T248 VanDerWaalsContact CD-O 3.3Å; K228-T248 WeakPolarHBondContact CD-O 3.04Å; K228-T248 VanDerWaalsContact CE-O 3.27Å; K228-T248 WeakPolarHBondContact CE-O 3.35Å; K228-T248 PolarHBondContact NZ-O 3.21Å; K228-E249 IonicContact NZ-OE1 2.94Å; K228-E249 PolarHBondContact NZ-OE1 3.14Å
229T96.2Very high95.1Very high20 Ų2040.8 Ų40.812%0.12320%0.2CC..EExtended strand (participates in β ladder)trans-115.6153.9179.277.80000112S225 D227 T243 F244 I245S225-T229 PolarHBondContact N-O 3.18Å; D227-T229 PolarHBondContact O-N 2.87Å; D227-T229 WeakPolarHBondContact OD1-CA 3.48Å; D227-T229 VanDerWaalsContact OD1-CB 3.32Å; D227-T229 WeakPolarHBondContact OD1-CB 3.5Å; D227-T229 PolarHBondContact OD1-N 2.78Å; D227-T229 PolarHBondContact OD1-OG1 3.28Å; D227-T229 PolarHBondContact OD2-OG1 2.81Å; T229-T243 HydrophobicContact CG2-CG2 4.25Å; T229-F244 WeakPolarHBondContact CA-O 3.41Å; T229-I245 HydrophobicContact CG2-CG1 4.28Å
230I96.6Very high95.1Very high0 Ų038.6 Ų38.60%019%0.191CC..EExtended strand (participates in β ladder)trans-111.9131.6166.4-54169.9000106.3V222 S223 T243 F244 I251 V254 S265V222-I230 HydrophobicContact CG1-CG2 3.26Å; S223-I230 CarbonylContact O-C 3.59Å; S223-I230 VanDerWaalsContact O-CA 3.24Å; S223-I230 WeakPolarHBondContact O-CA 3.31Å; S223-I230 WeakPolarHBondContact O-CG2 3.36Å; I230-T243 CarbonylContact O-C 3.54Å; I230-T243 WeakPolarHBondContact O-CA 3.24Å; I230-F244 HydrophobicContact CB-CB 4.1Å; I230-F244 HydrophobicContact CB-CD2 4.04Å; I230-F244 HydrophobicContact CB-CG 4.46Å; I230-F244 HydrophobicContact CG2-CD2 4.05Å; I230-F244 PolarHBondContact N-O 2.58Å; I230-F244 PolarHBondContact O-N 3.18Å; I230-I251 HydrophobicContact CD1-CD1 4.11Å; I230-I251 HydrophobicContact CG1-CD1 3.45Å; I230-I251 VanDerWaalsContact CG1-CD1 3.45Å; I230-I251 HydrophobicContact CG1-CG2 4.45Å; I230-V254 HydrophobicContact CD1-CG2 4.42Å; I230-V254 HydrophobicContact CG2-CG2 4.14Å; I230-S265 VanDerWaalsContact CD1-CB 3.41Å
231K96.1Very high95.1Very high31 Ų3138.4 Ų38.414%0.13520%0.195CC..EExtended strand (participates in β ladder)trans-114.9140.9176.6-69.8176.3-171.7-88.80109.9G204 V222 S223 W233 K242 T243G204-K231 WeakPolarHBondContact O-CE 3.49Å; G204-K231 PolarHBondContact O-NZ 3.46Å; V222-K231 CarbonylContact C-O 3.55Å; V222-K231 WeakPolarHBondContact CA-O 3.32Å; S223-K231 PolarHBondContact N-O 2.85Å; S223-K231 PolarHBondContact O-N 3.16Å; K231-W233 HydrophobicContact CB-CZ2 3.8Å; K231-W233 HydrophobicContact CD-CH2 4.22Å; K231-W233 HydrophobicContact CD-CZ2 3.68Å; K231-W233 HydrophobicContact CG-CZ2 4.37Å; K231-K242 WeakPolarHBondContact CA-O 3.33Å; K231-T243 HydrophobicContact CG-CG2 4.19Å
232M96.3Very high95Very high3 Ų340.9 Ų40.92%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-108.2132.6171.9-177.5174.4-68.400108.7L215 F220 L221 V222 C240 T241 K242 F244 L263 V277L215-M232 HydrophobicContact CD1-CE 3.68Å; L215-M232 HydrophobicContact CD1-SD 4.16Å; F220-M232 HydrophobicContact CB-CG 4.17Å; F220-M232 HydrophobicContact CB-SD 4.36Å; F220-M232 HydrophobicContact CD1-CG 4.1Å; F220-M232 HydrophobicContact CD1-SD 4.24Å; F220-M232 HydrophobicContact CG-CG 4.38Å; F220-M232 HydrophobicContact CG-SD 4.27Å; L221-M232 CarbonylContact O-C 3.58Å; L221-M232 WeakPolarHBondContact O-CA 3.37Å; V222-M232 HydrophobicContact CG2-CE 3.87Å; V222-M232 HydrophobicContact CG2-CG 4.36Å; M232-C240 CarbonylContact O-C 3.52Å; M232-C240 WeakPolarHBondContact O-CA 3.43Å; M232-T241 PolarHBondContact O-N 3.04Å; M232-T241 PolarHBondContact O-OG1 2.79Å; M232-K242 HydrophobicContact CB-CB 4.08Å; M232-K242 PolarHBondContact N-O 2.94Å; M232-K242 PolarHBondContact O-N 3.19Å; M232-K242 HydrophobicContact SD-CD 4.29Å; M232-F244 HydrophobicContact CB-CE2 4.21Å; M232-F244 HydrophobicContact CE-CE2 4.14Å; M232-F244 HydrophobicContact CE-CZ 4.01Å; M232-L263 HydrophobicContact CE-CD1 3.95Å; M232-V277 HydrophobicContact CE-CB 4.43Å; M232-V277 HydrophobicContact CE-CG1 3.67Å; M232-V277 HydrophobicContact CE-CG2 4.17Å; M232-V277 HydrophobicContact SD-CG1 4.25Å
233W96Very high95Very high7 Ų743.2 Ų43.23%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-122.6134.7-173.7-51.685.1000108.8L202 F220 L221 S223 K231 Y239 C240L202-W233 HydrophobicContact CB-CD2 4.17Å; L202-W233 HydrophobicContact CB-CE3 3.9Å; L202-W233 HydrophobicContact CB-CH2 4.43Å; L202-W233 HydrophobicContact CB-CZ3 4.04Å; L202-W233 HydrophobicContact CD1-CB 3.9Å; L202-W233 HydrophobicContact CD1-CD2 4.07Å; L202-W233 HydrophobicContact CD1-CE3 4.34Å; L202-W233 HydrophobicContact CD1-CG 3.87Å; L202-W233 HydrophobicContact CD2-CE3 4.42Å; L202-W233 HydrophobicContact CG-CE3 4.45Å; F220-W233 CarbonylContact C-O 3.53Å; F220-W233 VanDerWaalsContact CA-O 3.26Å; F220-W233 WeakPolarHBondContact CA-O 3.08Å; L221-W233 HydrophobicContact CB-CB 4.46Å; L221-W233 HydrophobicContact CD2-CB 4.36Å; L221-W233 HydrophobicContact CD2-CG 4.25Å; L221-W233 PolarHBondContact N-O 2.89Å; L221-W233 PolarHBondContact O-N 3.23Å; S223-W233 PolarHBondContact OG-NE1 2.75Å; K231-W233 HydrophobicContact CB-CZ2 3.8Å; K231-W233 HydrophobicContact CD-CH2 4.22Å; K231-W233 HydrophobicContact CD-CZ2 3.68Å; K231-W233 HydrophobicContact CG-CZ2 4.37Å; W233-Y239 WeakPolarHBondContact CA-O 3.35Å; W233-C240 HydrophobicContact CD2-CB 4.27Å; W233-C240 HydrophobicContact CE3-CB 3.73Å; W233-C240 HydrophobicContact CH2-CB 4.04Å; W233-C240 HydrophobicContact CZ3-CB 3.61Å
234E95.2Very high94.9Very high62 Ų6243.3 Ų43.329%0.2922%0.221SC..EExtended strand (participates in β ladder)trans-80.2126.2169.8-176.6-177.2-157.600109.1F220 S236 T237 G238 Y239 T241F220-E234 HydrophobicContact CD1-CB 4.13Å; F220-E234 HydrophobicContact CE1-CB 3.93Å; F220-E234 HydrophobicContact CE1-CG 4.14Å; E234-S236 VanDerWaalsContact CD-OG 3.31Å; E234-S236 WeakPolarHBondContact CG-OG 3.31Å; E234-S236 PolarHBondContact O-N 2.86Å; E234-S236 PolarHBondContact OE1-OG 3Å; E234-T237 WeakPolarHBondContact CB-OG1 3.23Å; E234-T237 WeakPolarHBondContact OE2-CB 3.25Å; E234-T237 WeakPolarHBondContact OE2-CG2 3.29Å; E234-T237 PolarHBondContact OE2-OG1 2.9Å; E234-G238 WeakPolarHBondContact O-CA 3.46Å; E234-G238 PolarHBondContact O-N 2.94Å; E234-Y239 PolarHBondContact N-O 3.34Å; E234-T241 HydrophobicContact CB-CG2 3.88Å
235V93.5Very high94.8Very high19 Ų1949.5 Ų49.512%0.11525%0.252CS..THydrogen-bonded Turntrans-68.4-36.6-173.5176.60000111.4L190 F214 D219 L221L190-V235 HydrophobicContact CD1-CG1 4.43Å; L190-V235 HydrophobicContact CD2-CG1 3.74Å; F214-V235 HydrophobicContact CD1-CG2 4.19Å; F214-V235 HydrophobicContact CE1-CG2 3.81Å; D219-V235 WeakPolarHBondContact O-CB 3.26Å; D219-V235 WeakPolarHBondContact O-CG2 3.48Å; D219-V235 PolarHBondContact O-N 3.34Å; L221-V235 HydrophobicContact CB-CG2 4.14Å
236S92.4Very high94.5Very high81 Ų8150.7 Ų50.757%0.56627%0.265SS*.THydrogen-bonded Turntrans-66.9-47.6-178.664.50000112.3K200 E234K200-S236 WeakPolarHBondContact CE-O 3.22Å; K200-S236 PolarHBondContact NZ-O 2.87Å; E234-S236 VanDerWaalsContact CD-OG 3.31Å; E234-S236 WeakPolarHBondContact CG-OG 3.31Å; E234-S236 PolarHBondContact O-N 2.86Å; E234-S236 PolarHBondContact OE1-OG 3Å
237T92.6Very high94.4Very high54 Ų5445.5 Ų45.533%0.33125%0.245SC..THydrogen-bonded Turntrans-90.5-36-176.863.60000111.9K200 E234 Y239K200-T237 VanDerWaalsContact NZ-C 3.28Å; K200-T237 PolarHBondContact NZ-O 2.65Å; E234-T237 WeakPolarHBondContact CB-OG1 3.23Å; E234-T237 WeakPolarHBondContact OE2-CB 3.25Å; E234-T237 WeakPolarHBondContact OE2-CG2 3.29Å; E234-T237 PolarHBondContact OE2-OG1 2.9Å; T237-Y239 HydrophobicContact CG2-CD2 4.36Å; T237-Y239 PolarHBondContact OG1-N 2.94Å
238G91.5Very high94.4Very high13 Ų1348 Ų4813%0.13426%0.262CS..  trans83.410.9-171.200000113.4L202 E234L202-G238 VanDerWaalsContact CD2-CA 3.44Å; L202-G238 VanDerWaalsContact CD2-O 3.3Å; L202-G238 WeakPolarHBondContact CD2-O 3.16Å; E234-G238 WeakPolarHBondContact O-CA 3.46Å; E234-G238 PolarHBondContact O-N 2.94Å
239Y93.8Very high94.4Very high171 Ų17148.4 Ų48.467%0.67127%0.265SS*.  trans-88.8146.1179.3-65.2-49.6000112.3W233 E234 T237 T241W233-Y239 WeakPolarHBondContact CA-O 3.35Å; E234-Y239 PolarHBondContact N-O 3.34Å; T237-Y239 HydrophobicContact CG2-CD2 4.36Å; T237-Y239 PolarHBondContact OG1-N 2.94Å; Y239-T241 PolarHBondContact O-N 2.95Å
240C94.3Very high94.4Very high51 Ų5149.1 Ų49.135%0.34527%0.266SS..EExtended strand (participates in β ladder)trans-73.2113.7170.5175.30000109.3M232 W233M232-C240 CarbonylContact O-C 3.52Å; M232-C240 WeakPolarHBondContact O-CA 3.43Å; W233-C240 HydrophobicContact CD2-CB 4.27Å; W233-C240 HydrophobicContact CE3-CB 3.73Å; W233-C240 HydrophobicContact CH2-CB 4.04Å; W233-C240 HydrophobicContact CZ3-CB 3.61Å
241T93.8Very high94.4Very high60 Ų6049.1 Ų49.137%0.36827%0.266SS..EExtended strand (participates in β ladder)trans-90-37.7-17957.40000112.5F220 M232 E234 Y239F220-T241 HydrophobicContact CE1-CG2 4.06Å; M232-T241 PolarHBondContact O-N 3.04Å; M232-T241 PolarHBondContact O-OG1 2.79Å; E234-T241 HydrophobicContact CB-CG2 3.88Å; Y239-T241 PolarHBondContact O-N 2.95Å
242K94.1Very high94.4Very high54 Ų5449.5 Ų49.524%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-138.8144.7-178.2-58.1-177-179.3-169.60110.7K231 M232 F244 V277 E278 R280K231-K242 WeakPolarHBondContact CA-O 3.33Å; M232-K242 HydrophobicContact CB-CB 4.08Å; M232-K242 PolarHBondContact N-O 2.94Å; M232-K242 PolarHBondContact O-N 3.19Å; M232-K242 HydrophobicContact SD-CD 4.29Å; K242-F244 HydrophobicContact CB-CE2 4.12Å; K242-F244 HydrophobicContact CB-CZ 4.32Å; K242-F244 HydrophobicContact CD-CZ 4.48Å; K242-V277 WeakPolarHBondContact CD-O 3.2Å; K242-V277 PolarHBondContact NZ-O 2.75Å; K242-E278 PolarHBondContact NZ-O 3.16Å; K242-R280 HydrophobicContact CB-CG 4.33Å; K242-R280 HydrophobicContact CD-CG 3.79Å; K242-R280 HydrophobicContact CG-CG 4.31Å
243T95.3Very high94.3Very high49 Ų4949.8 Ų49.830%0.30127%0.268SS..EExtended strand (participates in β ladder)trans-123.9127.6169.1-60.10000107.9T229 I230 K231 I245T229-T243 HydrophobicContact CG2-CG2 4.25Å; I230-T243 CarbonylContact O-C 3.54Å; I230-T243 WeakPolarHBondContact O-CA 3.24Å; K231-T243 HydrophobicContact CG-CG2 4.19Å; T243-I245 HydrophobicContact CG2-CD1 4.48Å; T243-I245 HydrophobicContact CG2-CG1 4.09Å
244F95.2Very high94.4Very high2 Ų249.4 Ų49.41%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-103.3127.1177-50.1-103.7000108.6T229 I230 M232 K242 L263 W275 R280T229-F244 WeakPolarHBondContact CA-O 3.41Å; I230-F244 HydrophobicContact CB-CB 4.1Å; I230-F244 HydrophobicContact CB-CD2 4.04Å; I230-F244 HydrophobicContact CB-CG 4.46Å; I230-F244 HydrophobicContact CG2-CD2 4.05Å; I230-F244 PolarHBondContact N-O 2.58Å; I230-F244 PolarHBondContact O-N 3.18Å; M232-F244 HydrophobicContact CB-CE2 4.21Å; M232-F244 HydrophobicContact CE-CE2 4.14Å; M232-F244 HydrophobicContact CE-CZ 4.01Å; K242-F244 HydrophobicContact CB-CE2 4.12Å; K242-F244 HydrophobicContact CB-CZ 4.32Å; K242-F244 HydrophobicContact CD-CZ 4.48Å; F244-L263 HydrophobicContact CE1-CD1 4.37Å; F244-L263 HydrophobicContact CE2-CD1 3.93Å; F244-L263 HydrophobicContact CZ-CD1 3.78Å; F244-W275 HydrophobicContact CB-CD2 4.28Å; F244-W275 HydrophobicContact CB-CE3 4.04Å; F244-W275 HydrophobicContact CB-CZ3 4.19Å; F244-W275 HydrophobicContact CD1-CB 4.04Å; F244-W275 HydrophobicContact CD1-CD2 4.25Å; F244-W275 HydrophobicContact CD1-CE3 4.01Å; F244-W275 HydrophobicContact CD1-CG 4.28Å; F244-W275 HydrophobicContact CE1-CB 4.18Å; F244-W275 HydrophobicContact CG-CE3 4.49Å; F244-R280 HydrophobicContact CD1-CB 4.06Å; F244-R280 HydrophobicContact CD1-CG 4.44Å; F244-R280 HydrophobicContact CE1-CB 4.04Å; F244-R280 HydrophobicContact CE1-CG 4.06Å
245I94.5Very high94.4Very high130 Ų13048.4 Ų48.467%0.66726%0.261SS*.EExtended strand (participates in β ladder)trans-124.5133.6-177.2-56.4173.4000107.4T229 T243T229-I245 HydrophobicContact CG2-CG1 4.28Å; T243-I245 HydrophobicContact CG2-CD1 4.48Å; T243-I245 HydrophobicContact CG2-CG1 4.09Å
246G91.5Very high94.4Very high25 Ų2548.6 Ų48.626%0.25826%0.262SS..  trans165.6-20.6170.100000115.2R273G246-R273 PolarHBondContact O-NH1 2.9Å; G246-R273 PolarHBondContact O-NH2 3.22Å
247H93.2Very high94.4Very high10 Ų1044.8 Ų44.85%0.04624%0.236CC..  trans-64.8143167.2-83.7-65.4000110.6I251 S265 S267 D269 T271H247-I251 HydrophobicContact CB-CD1 4.14Å; H247-I251 HydrophobicContact CB-CG1 3.94Å; H247-S265 PolarHBondContact CD2-OG 3.33Å; H247-S265 PolarHBondContact NE2-OG 2.78Å; H247-S267 WeakPolarHBondContact ND1-CB 3.4Å; H247-D269 IonicContact CE1-OD1 2.8Å; H247-D269 IonicContact CE1-OD2 2.77Å; H247-D269 IonicContact CG-OD2 3.49Å; H247-D269 IonicContact ND1-OD1 3.88Å; H247-D269 PolarHBondContact ND1-OD1 3.37Å; H247-D269 IonicContact ND1-OD2 3.62Å; H247-D269 PolarHBondContact ND1-OD2 3.37Å; H247-T271 PolarHBondContact CE1-OG1 3.48Å; H247-T271 PolarHBondContact ND1-OG1 2.78Å
248T94.2Very high94.1Very high84 Ų8444.8 Ų44.852%0.51524%0.237SC..SBendtrans-89-15.8-179.656.40000112.3K228 D269K228-T248 VanDerWaalsContact CD-O 3.3Å; K228-T248 WeakPolarHBondContact CD-O 3.04Å; K228-T248 VanDerWaalsContact CE-O 3.27Å; K228-T248 WeakPolarHBondContact CE-O 3.35Å; K228-T248 PolarHBondContact NZ-O 3.21Å; T248-D269 PolarHBondContact N-OD2 3.33Å; T248-D269 WeakPolarHBondContact OG1-CB 3.25Å
249E96Very high93.8Very high90 Ų9051.3 Ų51.342%0.42126%0.264SS..SBendtrans-141177.5-176.1-71.5-57.4138.200112.3K228 I251 S267 N268 D269K228-E249 IonicContact NZ-OE1 2.94Å; K228-E249 PolarHBondContact NZ-OE1 3.14Å; E249-I251 PolarHBondContact O-N 3.37Å; E249-S267 VanDerWaalsContact C-OG 3.26Å; E249-S267 PolarHBondContact O-OG 3.11Å; E249-N268 HydrophobicContact CB-CB 3.89Å; E249-D269 HydrophobicContact CB-CB 4.17Å; E249-D269 HydrophobicContact CG-CB 4.48Å
250W95.5Very high93.5Very high35 Ų3543.7 Ų43.713%0.13324%0.237CC..  trans-48.5122.9-178.4-178.13.9000112.8S210 R226 R252 S267 N268S210-W250 PolarHBondContact OG-NE1 3.37Å; R226-W250 HydrophobicContact CB-CB 4.35Å; R226-W250 HydrophobicContact CB-CD2 3.85Å; R226-W250 HydrophobicContact CB-CG 3.72Å; R226-W250 HydrophobicContact CG-CB 4.09Å; R226-W250 HydrophobicContact CG-CD2 3.89Å; R226-W250 HydrophobicContact CG-CE3 4.17Å; R226-W250 HydrophobicContact CG-CG 3.84Å; W250-R252 VanDerWaalsContact CE3-CZ 3.42Å; W250-S267 CarbonylContact O-C 3.53Å; W250-S267 VanDerWaalsContact O-CA 3.25Å; W250-S267 WeakPolarHBondContact O-CA 3.29Å; W250-S267 WeakPolarHBondContact O-CB 3.47Å; W250-S267 PolarHBondContact O-OG 3.39Å; W250-N268 PolarHBondContact O-N 2.92Å
251I97Very high93.4Very high1 Ų145.7 Ų45.71%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-79.7123.4173.9-50.4-179000110.1S210 A224 S225 I230 H247 E249 C266S210-I251 PolarHBondContact OG-O 2.94Å; A224-I251 HydrophobicContact CB-CB 4.04Å; A224-I251 HydrophobicContact CB-CG2 3.57Å; S225-I251 PolarHBondContact O-N 3.06Å; I230-I251 HydrophobicContact CD1-CD1 4.11Å; I230-I251 HydrophobicContact CG1-CD1 3.45Å; I230-I251 VanDerWaalsContact CG1-CD1 3.45Å; I230-I251 HydrophobicContact CG1-CG2 4.45Å; H247-I251 HydrophobicContact CB-CD1 4.14Å; H247-I251 HydrophobicContact CB-CG1 3.94Å; E249-I251 PolarHBondContact O-N 3.37Å; I251-C266 CarbonylContact C-O 3.53Å; I251-C266 VanDerWaalsContact CA-O 3.29Å; I251-C266 WeakPolarHBondContact CA-O 3.4Å; I251-C266 VanDerWaalsContact CG2-O 3.23Å; I251-C266 WeakPolarHBondContact CG2-O 3.44Å
252R95.9Very high93.3Very high39 Ų3944.4 Ų44.415%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-86.5-50-175-71.7-74.7175.6-148.7-4.6113.2S210 S211 W250 C266 N268 V292 V293 E294S210-R252 WeakPolarHBondContact CB-O 3.38Å; S211-R252 WeakPolarHBondContact CB-O 3.33Å; W250-R252 VanDerWaalsContact CE3-CZ 3.42Å; R252-C266 PolarHBondContact N-O 3.28Å; R252-N268 VanDerWaalsContact CZ-OD1 3.27Å; R252-N268 PolarHBondContact NE-OD1 2.93Å; R252-N268 PolarHBondContact NH2-ND2 2.88Å; R252-N268 PolarHBondContact NH2-OD1 3.26Å; R252-N268 VanDerWaalsContact NH2-OD1 3.08Å; R252-V292 HydrophobicContact CG-CG1 4.21Å; R252-V293 WeakPolarHBondContact CB-O 3.32Å; R252-V293 WeakPolarHBondContact CG-O 3.32Å; R252-E294 IonicContact NE-OE1 3.84Å; R252-E294 PolarHBondContact NE-OE1 2.98Å
253S95.9Very high93.4Very high8 Ų841.9 Ų41.96%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-140.4147.8-178.3-176.30000110.5S265 C266S253-S265 WeakPolarHBondContact O-CA 3.17Å; S253-C266 WeakPolarHBondContact CB-SG 3.34Å; S253-C266 PolarHBondContact N-SG 3.31Å; S253-C266 PolarHBondContact O-N 3.23Å; S253-C266 PolarHBondContact O-SG 2.91Å; S253-C266 VanDerWaalsContact O-SG 3.37Å
254V96.1Very high93.4Very high0 Ų039.5 Ų39.50%021%0.21CC..EExtended strand (participates in β ladder)trans-128.7135.1169.761.90000109.6S211 V222 A224 I230 A264S211-V254 PolarHBondContact OG-N 2.8Å; V222-V254 HydrophobicContact CG1-CB 4.49Å; V222-V254 HydrophobicContact CG1-CG1 4.03Å; V222-V254 HydrophobicContact CG1-CG2 3.69Å; A224-V254 HydrophobicContact CB-CB 4.02Å; A224-V254 HydrophobicContact CB-CG1 3.77Å; I230-V254 HydrophobicContact CD1-CG2 4.42Å; I230-V254 HydrophobicContact CG2-CG2 4.14Å; V254-A264 CarbonylContact C-O 3.57Å; V254-A264 VanDerWaalsContact CA-O 3.29Å; V254-A264 WeakPolarHBondContact CA-O 3.43Å
255R95.8Very high93.4Very high40 Ų4039.4 Ų39.415%0.15121%0.21CC..EExtended strand (participates in β ladder)trans-139.2131.1177.6-65.7-65.6171.6-161.4-14.7110.9D169 A264 W298D169-R255 IonicContact OD1-NH2 3.53Å; D169-R255 IonicContact OD2-NH2 3.45Å; D169-R255 PolarHBondContact OD2-NH2 2.82Å; D169-R255 VanDerWaalsContact OD2-NH2 3.1Å; R255-A264 PolarHBondContact N-O 2.96Å; R255-A264 PolarHBondContact O-N 3.5Å; R255-W298 PolarHBondContact O-NE1 3.01Å
256P94.2Very high93.5Very high23 Ų2333.2 Ų33.215%0.14918%0.178CC..EExtended strand (participates in β ladder)trans-74.6150172.928.3-29.4000111.8A213 F214 L215 L262 L263 W298A213-P256 HydrophobicContact CB-CG 4.42Å; F214-P256 VanDerWaalsContact O-CG 3.25Å; F214-P256 WeakPolarHBondContact O-CG 3.17Å; L215-P256 HydrophobicContact CD2-CB 3.84Å; L215-P256 HydrophobicContact CG-CB 4.44Å; P256-L262 WeakPolarHBondContact CA-O 3.47Å; P256-L263 HydrophobicContact CB-CD2 3.84Å; P256-W298 PolarHBondContact O-NE1 3.33Å
257S91.6Very high93.8Very high2 Ų232 Ų321%0.01417%0.166CC..  trans-65.9157.117066.10000110.5P216 E259 G260 L262P216-S257 WeakPolarHBondContact CG-O 3.34Å; S257-E259 PolarHBondContact O-N 3.14Å; S257-G260 PolarHBondContact O-N 3.14Å; S257-G260 PolarHBondContact OG-N 3.25Å; S257-L262 PolarHBondContact N-O 3.47Å; S257-L262 PolarHBondContact OG-N 3.19Å; S257-L262 PolarHBondContact OG-O 3.3Å
258P86.5Confident93.9Very high53 Ų5333.3 Ų33.334%0.34417%0.172SC..THydrogen-bonded Turntrans-55.7-34.7178-26.535.2000113.7P216 G260 W298P216-P258 WeakPolarHBondContact CG-O 3.32Å; P258-G260 VanDerWaalsContact C-N 3.35Å; P258-W298 HydrophobicContact CG-CB 4.47Å
259E85.4Confident93.9Very high150 Ų15030.6 Ų30.670%0.70116%0.155SC*.THydrogen-bonded Turntrans-79-15177.1-57.2-57.5132.600113.4S257 N261S257-E259 PolarHBondContact O-N 3.14Å; E259-N261 VanDerWaalsContact C-N 3.3Å; E259-N261 PolarHBondContact O-N 3.19Å
260G88Confident93.9Very high12 Ų1229.5 Ų29.512%0.12415%0.15CC..SBendtrans81.7-6.2179.700000116.1L215 S257 P258 V277L215-G260 VanDerWaalsContact CD2-O 3.31Å; L215-G260 WeakPolarHBondContact CD2-O 3.18Å; S257-G260 PolarHBondContact O-N 3.14Å; S257-G260 PolarHBondContact OG-N 3.25Å; P258-G260 VanDerWaalsContact C-N 3.35Å; G260-V277 WeakPolarHBondContact O-CG2 3.4Å
261N90.8Very high93.9Very high92 Ų9228.5 Ų28.549%0.49215%0.148SC..SBendtrans-79.3-22.6-176.9-62.4-15.3000113.8E259 V277E259-N261 VanDerWaalsContact C-N 3.3Å; E259-N261 PolarHBondContact O-N 3.19Å; N261-V277 WeakPolarHBondContact O-CB 3.15Å; N261-V277 PolarHBondContact O-N 3.36Å
262L93.2Very high93.9Very high34 Ų3428.5 Ų28.518%0.17815%0.148CC..EExtended strand (participates in β ladder)trans-122.6148.8-175.7-60.7176.2000111.5P256 S257 I274 W275 W298 L316P256-L262 WeakPolarHBondContact CA-O 3.47Å; S257-L262 PolarHBondContact N-O 3.47Å; S257-L262 PolarHBondContact OG-N 3.19Å; S257-L262 PolarHBondContact OG-O 3.3Å; L262-I274 HydrophobicContact CB-CG2 4.2Å; L262-I274 HydrophobicContact CD1-CG2 4.12Å; L262-I274 HydrophobicContact CD2-CG2 4.18Å; L262-I274 HydrophobicContact CG-CG2 4.41Å; L262-W275 CarbonylContact C-O 3.58Å; L262-W275 VanDerWaalsContact CA-O 3.3Å; L262-W275 WeakPolarHBondContact CA-O 3.48Å; L262-W298 HydrophobicContact CB-CH2 4.4Å; L262-W298 HydrophobicContact CB-CZ2 4.44Å; L262-L316 HydrophobicContact CD1-CD1 3.7Å
263L94.8Very high93.9Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-118.1133.2169.7-63.3167.3000109.3L215 V222 M232 F244 P256 I274 W275 V277L215-L263 HydrophobicContact CD2-CD2 4.45Å; V222-L263 HydrophobicContact CB-CD2 4.42Å; V222-L263 HydrophobicContact CG1-CD1 4.13Å; V222-L263 HydrophobicContact CG1-CD2 4.33Å; V222-L263 HydrophobicContact CG2-CD1 4.11Å; V222-L263 HydrophobicContact CG2-CD2 3.87Å; M232-L263 HydrophobicContact CE-CD1 3.95Å; F244-L263 HydrophobicContact CE1-CD1 4.37Å; F244-L263 HydrophobicContact CE2-CD1 3.93Å; F244-L263 HydrophobicContact CZ-CD1 3.78Å; P256-L263 HydrophobicContact CB-CD2 3.84Å; L263-I274 CarbonylContact O-C 3.59Å; L263-I274 VanDerWaalsContact O-CA 3.32Å; L263-I274 WeakPolarHBondContact O-CA 3.33Å; L263-W275 HydrophobicContact CB-CB 4.29Å; L263-W275 PolarHBondContact N-O 2.59Å; L263-W275 PolarHBondContact O-N 3.12Å; L263-V277 HydrophobicContact CD1-CG2 3.89Å; L263-V277 HydrophobicContact CD2-CG2 4.33Å; L263-V277 HydrophobicContact CG-CG2 3.64Å
264A95.6Very high93.8Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-102.5134.7167.600000110V254 R255 R273 I274 I296 W298 L318V254-A264 CarbonylContact C-O 3.57Å; V254-A264 VanDerWaalsContact CA-O 3.29Å; V254-A264 WeakPolarHBondContact CA-O 3.43Å; R255-A264 PolarHBondContact N-O 2.96Å; R255-A264 PolarHBondContact O-N 3.5Å; A264-R273 WeakPolarHBondContact CA-O 3.46Å; A264-I274 HydrophobicContact CB-CD1 3.6Å; A264-I296 HydrophobicContact CB-CD1 4.32Å; A264-I296 HydrophobicContact CB-CG2 4.02Å; A264-W298 HydrophobicContact CB-CH2 4.44Å; A264-W298 HydrophobicContact CB-CZ2 3.49Å; A264-W298 VanDerWaalsContact CB-CZ2 3.49Å; A264-L318 HydrophobicContact CB-CD1 3.82Å; A264-L318 HydrophobicContact CB-CD2 4.01Å
265S96.7Very high93.8Very high0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-129.4144.5173.861.90000111.9I230 H247 S253 I272 R273 W275I230-S265 VanDerWaalsContact CD1-CB 3.41Å; H247-S265 PolarHBondContact CD2-OG 3.33Å; H247-S265 PolarHBondContact NE2-OG 2.78Å; S253-S265 WeakPolarHBondContact O-CA 3.17Å; S265-I272 CarbonylContact O-C 3.59Å; S265-I272 VanDerWaalsContact O-CA 3.23Å; S265-I272 WeakPolarHBondContact O-CA 3.5Å; S265-I272 WeakPolarHBondContact O-CG2 3.27Å; S265-R273 PolarHBondContact N-O 3.22Å; S265-R273 PolarHBondContact O-N 2.92Å; S265-W275 PolarHBondContact OG-NE1 2.96Å
266C95.9Very high93.7Very high0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-117150.3173.545.40000110.4I251 R252 S253 I272 V293 I296I251-C266 CarbonylContact C-O 3.53Å; I251-C266 VanDerWaalsContact CA-O 3.29Å; I251-C266 WeakPolarHBondContact CA-O 3.4Å; I251-C266 VanDerWaalsContact CG2-O 3.23Å; I251-C266 WeakPolarHBondContact CG2-O 3.44Å; R252-C266 PolarHBondContact N-O 3.28Å; S253-C266 WeakPolarHBondContact CB-SG 3.34Å; S253-C266 PolarHBondContact N-SG 3.31Å; S253-C266 PolarHBondContact O-N 3.23Å; S253-C266 PolarHBondContact O-SG 2.91Å; S253-C266 VanDerWaalsContact O-SG 3.37Å; C266-I272 HydrophobicContact CB-CG1 4.4Å; C266-V293 HydrophobicContact CB-CB 3.64Å; C266-V293 HydrophobicContact CB-CG1 3.39Å; C266-I296 HydrophobicContact CB-CD1 3.36Å; C266-I296 HydrophobicContact CB-CG1 3.76Å
267S96.6Very high93.5Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-140.9165.7-178.1172.60000112.7H247 E249 W250 D269 H270 T271 V293H247-S267 WeakPolarHBondContact ND1-CB 3.4Å; E249-S267 VanDerWaalsContact C-OG 3.26Å; E249-S267 PolarHBondContact O-OG 3.11Å; W250-S267 CarbonylContact O-C 3.53Å; W250-S267 VanDerWaalsContact O-CA 3.25Å; W250-S267 WeakPolarHBondContact O-CA 3.29Å; W250-S267 WeakPolarHBondContact O-CB 3.47Å; W250-S267 PolarHBondContact O-OG 3.39Å; S267-D269 VanDerWaalsContact CB-OD1 3.31Å; S267-D269 WeakPolarHBondContact CB-OD1 3.2Å; S267-D269 PolarHBondContact O-N 3.12Å; S267-D269 PolarHBondContact OG-N 3.36Å; S267-H270 PolarHBondContact O-N 2.9Å; S267-T271 PolarHBondContact N-O 3.4Å; S267-V293 PolarHBondContact O-N 3.45Å
268N96Very high93.5Very high36 Ų3634 Ų3419%0.19318%0.175CC..THydrogen-bonded Turntrans-63.2-10.9165.9-70.35.3000113.5E249 W250 R252 H270 V292E249-N268 HydrophobicContact CB-CB 3.89Å; W250-N268 PolarHBondContact O-N 2.92Å; R252-N268 VanDerWaalsContact CZ-OD1 3.27Å; R252-N268 PolarHBondContact NE-OD1 2.93Å; R252-N268 PolarHBondContact NH2-ND2 2.88Å; R252-N268 PolarHBondContact NH2-OD1 3.26Å; R252-N268 VanDerWaalsContact NH2-OD1 3.08Å; N268-H270 PolarHBondContact O-CD2 2.9Å; N268-H270 PolarHBondContact O-N 3.48Å; N268-V292 HydrophobicContact CB-CG1 4.39Å; N268-V292 HydrophobicContact CB-CG2 4.05Å; N268-V292 WeakPolarHBondContact OD1-CG1 3.36Å
269D94.7Very high93.6Very high27 Ų2733.8 Ų33.814%0.14417%0.174CC..THydrogen-bonded Turntrans-76.26.6172.568.713.2000113.8H247 T248 E249 S267 T271H247-D269 IonicContact CE1-OD1 2.8Å; H247-D269 IonicContact CE1-OD2 2.77Å; H247-D269 IonicContact CG-OD2 3.49Å; H247-D269 IonicContact ND1-OD1 3.88Å; H247-D269 PolarHBondContact ND1-OD1 3.37Å; H247-D269 IonicContact ND1-OD2 3.62Å; H247-D269 PolarHBondContact ND1-OD2 3.37Å; T248-D269 PolarHBondContact N-OD2 3.33Å; T248-D269 WeakPolarHBondContact OG1-CB 3.25Å; E249-D269 HydrophobicContact CB-CB 4.17Å; E249-D269 HydrophobicContact CG-CB 4.48Å; S267-D269 VanDerWaalsContact CB-OD1 3.31Å; S267-D269 WeakPolarHBondContact CB-OD1 3.2Å; S267-D269 PolarHBondContact O-N 3.12Å; S267-D269 PolarHBondContact OG-N 3.36Å; D269-T271 PolarHBondContact O-N 3.04Å; D269-T271 WeakPolarHBondContact OD1-CA 3.36Å; D269-T271 VanDerWaalsContact OD1-CB 3.3Å; D269-T271 WeakPolarHBondContact OD1-CB 3.34Å; D269-T271 PolarHBondContact OD1-N 2.92Å; D269-T271 PolarHBondContact OD1-OG1 3.35Å; D269-T271 PolarHBondContact OD2-OG1 3.24Å
270H95.5Very high93.8Very high68 Ų6833.3 Ų33.332%0.31517%0.166SC..SBendtrans67.110.3-179.5-47.5174.4000113.6S267 N268 E290 V292S267-H270 PolarHBondContact O-N 2.9Å; N268-H270 PolarHBondContact O-CD2 2.9Å; N268-H270 PolarHBondContact O-N 3.48Å; H270-E290 PolarHBondContact CE1-O 2.83Å; H270-E290 VanDerWaalsContact CE1-O 3.24Å; H270-E290 PolarHBondContact ND1-O 2.97Å; H270-V292 PolarHBondContact CD2-N 2.92Å; H270-V292 PolarHBondContact NE2-N 3.49Å
271T95.7Very high93.9Very high14 Ų1438.5 Ų38.59%0.08619%0.187CC..EExtended strand (participates in β ladder)trans-106.6152.4179.675.70000111.8H247 S267 D269 V285 R287H247-T271 PolarHBondContact CE1-OG1 3.48Å; H247-T271 PolarHBondContact ND1-OG1 2.78Å; S267-T271 PolarHBondContact N-O 3.4Å; D269-T271 PolarHBondContact O-N 3.04Å; D269-T271 WeakPolarHBondContact OD1-CA 3.36Å; D269-T271 VanDerWaalsContact OD1-CB 3.3Å; D269-T271 WeakPolarHBondContact OD1-CB 3.34Å; D269-T271 PolarHBondContact OD1-N 2.92Å; D269-T271 PolarHBondContact OD1-OG1 3.35Å; D269-T271 PolarHBondContact OD2-OG1 3.24Å; T271-V285 HydrophobicContact CG2-CG1 4.28Å; T271-R287 HydrophobicContact CG2-CG 4.16Å
272I96.4Very high93.9Very high1 Ų136.1 Ų36.11%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-113.5130.6165.3-60.1148.3000106.9S265 C266 L286 V293 I296 L318 S320 W330S265-I272 CarbonylContact O-C 3.59Å; S265-I272 VanDerWaalsContact O-CA 3.23Å; S265-I272 WeakPolarHBondContact O-CA 3.5Å; S265-I272 WeakPolarHBondContact O-CG2 3.27Å; C266-I272 HydrophobicContact CB-CG1 4.4Å; I272-L286 HydrophobicContact CB-CB 4.15Å; I272-L286 HydrophobicContact CB-CD1 4.3Å; I272-L286 HydrophobicContact CG2-CD1 4.09Å; I272-L286 PolarHBondContact N-O 2.67Å; I272-L286 VanDerWaalsContact N-O 3.07Å; I272-L286 PolarHBondContact O-N 3.27Å; I272-V293 HydrophobicContact CD1-CG1 4.22Å; I272-V293 HydrophobicContact CG1-CG1 4Å; I272-V293 HydrophobicContact CG1-CG2 4.29Å; I272-I296 HydrophobicContact CG1-CD1 4.28Å; I272-I296 HydrophobicContact CG2-CD1 3.75Å; I272-L318 HydrophobicContact CG2-CD2 3.62Å; I272-S320 VanDerWaalsContact CD1-OG 3.27Å; I272-S320 WeakPolarHBondContact CD1-OG 3.45Å; I272-W330 HydrophobicContact CD1-CZ2 4.3Å
273R95.5Very high93.8Very high39 Ų3939.6 Ų39.615%0.14719%0.193CC..EExtended strand (participates in β ladder)trans-116.7138.8-179.6-67.8-176.5177.6-129.56.1110.4G246 A264 S265 W275 V284 V285G246-R273 PolarHBondContact O-NH1 2.9Å; G246-R273 PolarHBondContact O-NH2 3.22Å; A264-R273 WeakPolarHBondContact CA-O 3.46Å; S265-R273 PolarHBondContact N-O 3.22Å; S265-R273 PolarHBondContact O-N 2.92Å; R273-W275 HydrophobicContact CB-CZ2 3.83Å; R273-W275 HydrophobicContact CG-CZ2 4.34Å; R273-V284 WeakPolarHBondContact CA-O 3.49Å; R273-V285 HydrophobicContact CG-CG1 4.31Å; R273-V285 HydrophobicContact CG-CG2 4.26Å
274I95.5Very high93.7Very high1 Ų141.3 Ų41.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-108.6124.7174.7-53-58.8000108.3L262 L263 A264 C282 Q283 V284 W298 L318 V332L262-I274 HydrophobicContact CB-CG2 4.2Å; L262-I274 HydrophobicContact CD1-CG2 4.12Å; L262-I274 HydrophobicContact CD2-CG2 4.18Å; L262-I274 HydrophobicContact CG-CG2 4.41Å; L263-I274 CarbonylContact O-C 3.59Å; L263-I274 VanDerWaalsContact O-CA 3.32Å; L263-I274 WeakPolarHBondContact O-CA 3.33Å; A264-I274 HydrophobicContact CB-CD1 3.6Å; I274-C282 CarbonylContact O-C 3.59Å; I274-C282 WeakPolarHBondContact O-CA 3.4Å; I274-Q283 PolarHBondContact O-N 3.47Å; I274-V284 HydrophobicContact CB-CB 4.18Å; I274-V284 HydrophobicContact CG1-CB 4.21Å; I274-V284 PolarHBondContact N-O 3.3Å; I274-W298 HydrophobicContact CD1-CH2 3.99Å; I274-W298 HydrophobicContact CD1-CZ2 4.15Å; I274-L318 HydrophobicContact CD1-CD2 4.01Å; I274-V332 HydrophobicContact CB-CG1 4.42Å; I274-V332 HydrophobicContact CD1-CG1 4.36Å; I274-V332 HydrophobicContact CD1-CG2 4.26Å; I274-V332 HydrophobicContact CG1-CG1 3.86Å; I274-V332 HydrophobicContact CG1-CG2 4.43Å; I274-V332 HydrophobicContact CG2-CG1 4Å
275W94.6Very high93.6Very high6 Ų643.9 Ų43.92%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-113.5138.6-176.3-48.584000109.8F244 L262 L263 S265 R273 E281 C282F244-W275 HydrophobicContact CB-CD2 4.28Å; F244-W275 HydrophobicContact CB-CE3 4.04Å; F244-W275 HydrophobicContact CB-CZ3 4.19Å; F244-W275 HydrophobicContact CD1-CB 4.04Å; F244-W275 HydrophobicContact CD1-CD2 4.25Å; F244-W275 HydrophobicContact CD1-CE3 4.01Å; F244-W275 HydrophobicContact CD1-CG 4.28Å; F244-W275 HydrophobicContact CE1-CB 4.18Å; F244-W275 HydrophobicContact CG-CE3 4.49Å; L262-W275 CarbonylContact C-O 3.58Å; L262-W275 VanDerWaalsContact CA-O 3.3Å; L262-W275 WeakPolarHBondContact CA-O 3.48Å; L263-W275 HydrophobicContact CB-CB 4.29Å; L263-W275 PolarHBondContact N-O 2.59Å; L263-W275 PolarHBondContact O-N 3.12Å; S265-W275 PolarHBondContact OG-NE1 2.96Å; R273-W275 HydrophobicContact CB-CZ2 3.83Å; R273-W275 HydrophobicContact CG-CZ2 4.34Å; W275-E281 WeakPolarHBondContact CA-O 3.24Å; W275-C282 HydrophobicContact CD2-CB 4.37Å; W275-C282 HydrophobicContact CE3-CB 3.8Å; W275-C282 HydrophobicContact CH2-CB 4.23Å; W275-C282 HydrophobicContact CZ3-CB 3.73Å
276S93.8Very high93.5Very high18 Ų1844 Ų4413%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-76.7125163.7171.30000109.1E278 S279 R280 E281S276-E278 PolarHBondContact O-N 3.42Å; S276-E278 PolarHBondContact OG-N 2.81Å; S276-S279 WeakPolarHBondContact CB-OG 3.46Å; S276-S279 PolarHBondContact OG-N 3.31Å; S276-S279 PolarHBondContact OG-OG 2.9Å; S276-R280 WeakPolarHBondContact O-CA 3.32Å; S276-R280 PolarHBondContact O-N 3.41Å; S276-E281 PolarHBondContact N-O 3.27Å
277V91.4Very high93.4Very high20 Ų2053.1 Ų53.112%0.12125%0.254CS..THydrogen-bonded Turntrans-60.7-37.6177.6166.60000110.9L215 M232 K242 G260 N261 L263L215-V277 HydrophobicContact CD2-CG2 4.38Å; M232-V277 HydrophobicContact CE-CB 4.43Å; M232-V277 HydrophobicContact CE-CG1 3.67Å; M232-V277 HydrophobicContact CE-CG2 4.17Å; M232-V277 HydrophobicContact SD-CG1 4.25Å; K242-V277 WeakPolarHBondContact CD-O 3.2Å; K242-V277 PolarHBondContact NZ-O 2.75Å; G260-V277 WeakPolarHBondContact O-CG2 3.4Å; N261-V277 WeakPolarHBondContact O-CB 3.15Å; N261-V277 PolarHBondContact O-N 3.36Å; L263-V277 HydrophobicContact CD1-CG2 3.89Å; L263-V277 HydrophobicContact CD2-CG2 4.33Å; L263-V277 HydrophobicContact CG-CG2 3.64Å
278E90.1Very high93.1Very high143 Ų14354.6 Ų54.667%0.66827%0.269SS*.THydrogen-bonded Turntrans-73.7-58.4-176.6-70.1165.2-174.500111.6K242 S276K242-E278 PolarHBondContact NZ-O 3.16Å; S276-E278 PolarHBondContact O-N 3.42Å; S276-E278 PolarHBondContact OG-N 2.81Å
279S89.9Confident93Very high48 Ų4853.4 Ų53.434%0.33626%0.262SS..THydrogen-bonded Turntrans-80-19-172.9750000114S276 E281S276-S279 WeakPolarHBondContact CB-OG 3.46Å; S276-S279 PolarHBondContact OG-N 3.31Å; S276-S279 PolarHBondContact OG-OG 2.9Å; S279-E281 PolarHBondContact O-N 3.4Å; S279-E281 WeakPolarHBondContact OG-CB 3.47Å; S279-E281 PolarHBondContact OG-N 2.9Å
280R88.5Confident92.9Very high141 Ų14159.5 Ų59.553%0.53229%0.29SS..  trans66.78-171-53.5171.1-68-1750.9114.7K242 F244 S276K242-R280 HydrophobicContact CB-CG 4.33Å; K242-R280 HydrophobicContact CD-CG 3.79Å; K242-R280 HydrophobicContact CG-CG 4.31Å; F244-R280 HydrophobicContact CD1-CB 4.06Å; F244-R280 HydrophobicContact CD1-CG 4.44Å; F244-R280 HydrophobicContact CE1-CB 4.04Å; F244-R280 HydrophobicContact CE1-CG 4.06Å; S276-R280 WeakPolarHBondContact O-CA 3.32Å; S276-R280 PolarHBondContact O-N 3.41Å
281E90.7Very high92.9Very high121 Ų12160 Ų6057%0.56529%0.292SS*.  trans-87144.6-179.3-63175.2154.400110.9W275 S276 S279 Q283W275-E281 WeakPolarHBondContact CA-O 3.24Å; S276-E281 PolarHBondContact N-O 3.27Å; S279-E281 PolarHBondContact O-N 3.4Å; S279-E281 WeakPolarHBondContact OG-CB 3.47Å; S279-E281 PolarHBondContact OG-N 2.9Å; E281-Q283 PolarHBondContact O-N 2.8Å
282C91.7Very high92.9Very high41 Ų4159.8 Ų59.828%0.27729%0.291SS..EExtended strand (participates in β ladder)trans-76.2109.3169.3-177.30000108.4I274 W275 V285I274-C282 CarbonylContact O-C 3.59Å; I274-C282 WeakPolarHBondContact O-CA 3.4Å; W275-C282 HydrophobicContact CD2-CB 4.37Å; W275-C282 HydrophobicContact CE3-CB 3.8Å; W275-C282 HydrophobicContact CH2-CB 4.23Å; W275-C282 HydrophobicContact CZ3-CB 3.73Å; C282-V285 VanDerWaalsContact SG-CG2 3.56Å
283Q90.4Very high92.9Very high107 Ų10759.8 Ų59.850%0.529%0.291SS..EExtended strand (participates in β ladder)trans-76.8-44.2-179.6-65.8-63.9-33.200111.4I274 E281I274-Q283 PolarHBondContact O-N 3.47Å; E281-Q283 PolarHBondContact O-N 2.8Å
284V92.2Very high92.9Very high36 Ų3658.9 Ų58.922%0.21829%0.288CS..EExtended strand (participates in β ladder)trans-138136.4-173.4-176.20000109.9R273 I274 L286R273-V284 WeakPolarHBondContact CA-O 3.49Å; I274-V284 HydrophobicContact CB-CB 4.18Å; I274-V284 HydrophobicContact CG1-CB 4.21Å; I274-V284 PolarHBondContact N-O 3.3Å; V284-L286 HydrophobicContact CG1-CD2 3.63Å; V284-L286 HydrophobicContact CG1-CG 4.12Å
285V94.5Very high92.9Very high55 Ų5558.9 Ų58.933%0.33329%0.288SS..EExtended strand (participates in β ladder)trans-116.1107.8171.2-174.60000108.1T271 R273 C282 R287T271-V285 HydrophobicContact CG2-CG1 4.28Å; R273-V285 HydrophobicContact CG-CG1 4.31Å; R273-V285 HydrophobicContact CG-CG2 4.26Å; C282-V285 VanDerWaalsContact SG-CG2 3.56Å; V285-R287 HydrophobicContact CG1-CG 4.13Å
286L93.7Very high93Very high2 Ų258.7 Ų58.71%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-86.5120.4177.4-52.8170.2000108.6I272 V284 L318 W330I272-L286 HydrophobicContact CB-CB 4.15Å; I272-L286 HydrophobicContact CB-CD1 4.3Å; I272-L286 HydrophobicContact CG2-CD1 4.09Å; I272-L286 PolarHBondContact N-O 2.67Å; I272-L286 VanDerWaalsContact N-O 3.07Å; I272-L286 PolarHBondContact O-N 3.27Å; V284-L286 HydrophobicContact CG1-CD2 3.63Å; V284-L286 HydrophobicContact CG1-CG 4.12Å; L286-L318 HydrophobicContact CD1-CD2 4.14Å; L286-W330 HydrophobicContact CB-CD2 4.18Å; L286-W330 HydrophobicContact CB-CE3 3.88Å; L286-W330 HydrophobicContact CB-CH2 4.36Å; L286-W330 HydrophobicContact CB-CZ3 3.97Å; L286-W330 HydrophobicContact CD1-CB 3.77Å; L286-W330 HydrophobicContact CD1-CD2 3.94Å; L286-W330 HydrophobicContact CD1-CE3 4.19Å; L286-W330 HydrophobicContact CD1-CG 3.75Å; L286-W330 HydrophobicContact CD2-CE3 3.94Å; L286-W330 HydrophobicContact CG-CD2 4.44Å; L286-W330 HydrophobicContact CG-CE3 4.22Å
287R93Very high93Very high191 Ų19158.4 Ų58.472%0.72129%0.287SS*.EExtended strand (participates in β ladder)trans-118.6133.3177.1-61.6-175.5180-173.5-0.3108.8T271 V285T271-R287 HydrophobicContact CG2-CG 4.16Å; V285-R287 HydrophobicContact CG1-CG 4.13Å
288G90.5Very high93Very high31 Ų3158.7 Ų58.732%0.3229%0.285SS..  trans170.5-24.8172.700000114.1R328G288-R328 VanDerWaalsContact C-NH1 3.25Å; G288-R328 PolarHBondContact O-NH1 3Å; G288-R328 PolarHBondContact O-NH2 2.8Å
289H93.8Very high92.8Very high12 Ų1252.2 Ų52.26%0.05626%0.257CS..  trans-63.6141.7170.3-80.7-65.7000111.3V293 S320 S322 D324 T326 R328H289-V293 HydrophobicContact CB-CG2 3.8Å; H289-V293 VanDerWaalsContact CD2-CG2 3.44Å; H289-V293 WeakPolarHBondContact CD2-CG2 3.48Å; H289-S320 PolarHBondContact CD2-OG 3.44Å; H289-S320 PolarHBondContact NE2-OG 2.89Å; H289-S322 WeakPolarHBondContact CE1-CB 3.23Å; H289-S322 WeakPolarHBondContact ND1-CB 3.49Å; H289-D324 WeakPolarHBondContact CA-OD2 3.49Å; H289-D324 IonicContact CE1-OD2 3.57Å; H289-D324 IonicContact CG-OD2 3.9Å; H289-D324 IonicContact ND1-OD1 2.81Å; H289-D324 PolarHBondContact ND1-OD1 3.32Å; H289-D324 IonicContact ND1-OD2 3.93Å; H289-D324 PolarHBondContact ND1-OD2 2.85Å; H289-T326 PolarHBondContact CE1-OG1 2.9Å; H289-T326 PolarHBondContact ND1-OG1 2.79Å; H289-R328 VanDerWaalsContact CE1-CD 3.5Å; H289-R328 WeakPolarHBondContact CE1-CD 3.25Å; H289-R328 VanDerWaalsContact CE1-CG 3.45Å; H289-R328 WeakPolarHBondContact CE1-CG 3.33Å
290E93.4Very high91.7Very high154 Ų15453.1 Ų53.172%0.7226%0.263SS*.SBendtrans-88.8-14.6-178.7-64.6-179.6-18000111.9H270 D324H270-E290 PolarHBondContact CE1-O 2.83Å; H270-E290 VanDerWaalsContact CE1-O 3.24Å; H270-E290 PolarHBondContact ND1-O 2.97Å; E290-D324 HydrophobicContact CB-CB 4.19Å; E290-D324 PolarHBondContact N-OD2 2.9Å; E290-D324 VanDerWaalsContact N-OD2 3.09Å
291H95.4Very high90.3Very high78 Ų7852.1 Ų52.136%0.36126%0.264SS..SBendtrans-141.5172.4-179.1-152.5-75.6000111.1V293 S322 R323 D324H291-V293 PolarHBondContact O-N 3.25Å; H291-S322 PolarHBondContact O-OG 2.88Å; H291-R323 HydrophobicContact CB-CB 4.13Å; H291-R323 VanDerWaalsContact ND1-CB 3.3Å; H291-R323 WeakPolarHBondContact ND1-CB 3.39Å; H291-D324 HydrophobicContact CB-CB 3.98Å
292V96.2Very high88.5Confident11 Ų1147.9 Ų47.97%0.06725%0.247CC..  trans-37.1126.3173.2176.50000112.8R252 N268 H270 E294 S322 R323R252-V292 HydrophobicContact CG-CG1 4.21Å; N268-V292 HydrophobicContact CB-CG1 4.39Å; N268-V292 HydrophobicContact CB-CG2 4.05Å; N268-V292 WeakPolarHBondContact OD1-CG1 3.36Å; H270-V292 PolarHBondContact CD2-N 2.92Å; H270-V292 PolarHBondContact NE2-N 3.49Å; V292-E294 VanDerWaalsContact CG1-OE1 3.32Å; V292-E294 WeakPolarHBondContact CG1-OE1 3.14Å; V292-S322 WeakPolarHBondContact O-CA 3.3Å; V292-S322 WeakPolarHBondContact O-CB 3.43Å; V292-S322 PolarHBondContact O-OG 2.88Å; V292-R323 HydrophobicContact CB-CG 4.07Å; V292-R323 HydrophobicContact CG1-CG 4.46Å; V292-R323 PolarHBondContact O-N 2.81Å
293V96.6Very high86.4Confident0 Ų052.4 Ų52.40%026%0.264CS..EExtended strand (participates in β ladder)trans-89.8119.1174-174.70000108.7R252 C266 S267 I272 H289 H291R252-V293 WeakPolarHBondContact CB-O 3.32Å; R252-V293 WeakPolarHBondContact CG-O 3.32Å; C266-V293 HydrophobicContact CB-CB 3.64Å; C266-V293 HydrophobicContact CB-CG1 3.39Å; S267-V293 PolarHBondContact O-N 3.45Å; I272-V293 HydrophobicContact CD1-CG1 4.22Å; I272-V293 HydrophobicContact CG1-CG1 4Å; I272-V293 HydrophobicContact CG1-CG2 4.29Å; H289-V293 HydrophobicContact CB-CG2 3.8Å; H289-V293 VanDerWaalsContact CD2-CG2 3.44Å; H289-V293 WeakPolarHBondContact CD2-CG2 3.48Å; H291-V293 PolarHBondContact O-N 3.25Å
294E95.9Very high84.3Confident20 Ų2051.6 Ų51.69%0.09326%0.263CS..EExtended strand (participates in β ladder)trans-91.7-39.9-173.3-71.5-72.5126.500112.3R252 V292 G321 R323 V348 R349R252-E294 IonicContact NE-OE1 3.84Å; R252-E294 PolarHBondContact NE-OE1 2.98Å; V292-E294 VanDerWaalsContact CG1-OE1 3.32Å; V292-E294 WeakPolarHBondContact CG1-OE1 3.14Å; E294-G321 PolarHBondContact N-O 3.34Å; E294-R323 HydrophobicContact CG-CG 3.81Å; E294-R323 IonicContact OE1-CZ 3.63Å; E294-R323 IonicContact OE1-NE 3.1Å; E294-R323 PolarHBondContact OE1-NE 2.93Å; E294-R323 IonicContact OE1-NH2 3.16Å; E294-R323 PolarHBondContact OE1-NH2 3.45Å; E294-R323 IonicContact OE2-NH2 3.46Å; E294-V348 VanDerWaalsContact CB-O 3.32Å; E294-V348 WeakPolarHBondContact CB-O 3.4Å; E294-R349 IonicContact OE2-CZ 3.54Å; E294-R349 IonicContact OE2-NH1 3.9Å; E294-R349 PolarHBondContact OE2-NH1 3.47Å
295C95Very high82.3Confident1 Ų150.7 Ų50.71%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-141.1154.2-172.158.30000112.3S320 G321 R349C295-S320 WeakPolarHBondContact O-CA 3.44Å; C295-G321 PolarHBondContact N-O 2.89Å; C295-G321 PolarHBondContact O-N 2.88Å; C295-R349 VanDerWaalsContact CB-O 3.3Å; C295-R349 WeakPolarHBondContact CB-O 3.48Å
296I95.6Very high80.1Confident3 Ų355.3 Ų55.32%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-137.8143.6177.4-65.6168.5000108.7A264 C266 I272 L318 V319A264-I296 HydrophobicContact CB-CD1 4.32Å; A264-I296 HydrophobicContact CB-CG2 4.02Å; C266-I296 HydrophobicContact CB-CD1 3.36Å; C266-I296 HydrophobicContact CB-CG1 3.76Å; I272-I296 HydrophobicContact CG1-CD1 4.28Å; I272-I296 HydrophobicContact CG2-CD1 3.75Å; I296-L318 HydrophobicContact CG2-CD1 3.34Å; I296-L318 HydrophobicContact CG2-CD2 3.83Å; I296-L318 HydrophobicContact CG2-CG 3.62Å; I296-V319 CarbonylContact C-O 3.58Å; I296-V319 VanDerWaalsContact CA-O 3.26Å; I296-V319 WeakPolarHBondContact CA-O 3.3Å
297A94.1Very high77.9Confident12 Ų1257.8 Ų57.810%0.09930%0.297CS..EExtended strand (participates in β ladder)trans-137.1136.4168.700000111V319 L351 F353A297-V319 PolarHBondContact N-O 2.58Å; A297-V319 PolarHBondContact O-N 2.67Å; A297-L351 HydrophobicContact CB-CB 4.19Å; A297-F353 HydrophobicContact CB-CD2 4.12Å; A297-F353 HydrophobicContact CB-CE2 4.06Å
298W91.5Very high75.7Confident25 Ų2550.3 Ų50.310%0.09527%0.271CS..EExtended strand (participates in β ladder)trans-83.3139.8169.7-6997.7000110.2R255 P256 P258 L262 A264 I274 L316 L318 V332 F353R255-W298 PolarHBondContact O-NE1 3.01Å; P256-W298 PolarHBondContact O-NE1 3.33Å; P258-W298 HydrophobicContact CG-CB 4.47Å; L262-W298 HydrophobicContact CB-CH2 4.4Å; L262-W298 HydrophobicContact CB-CZ2 4.44Å; A264-W298 HydrophobicContact CB-CH2 4.44Å; A264-W298 HydrophobicContact CB-CZ2 3.49Å; A264-W298 VanDerWaalsContact CB-CZ2 3.49Å; I274-W298 HydrophobicContact CD1-CH2 3.99Å; I274-W298 HydrophobicContact CD1-CZ2 4.15Å; W298-L316 HydrophobicContact CZ3-CB 4.09Å; W298-L318 HydrophobicContact CD2-CD1 3.35Å; W298-L318 HydrophobicContact CE3-CD1 3.61Å; W298-L318 HydrophobicContact CG-CD1 3.8Å; W298-L318 HydrophobicContact CH2-CD1 4.18Å; W298-L318 HydrophobicContact CZ2-CD1 3.97Å; W298-L318 HydrophobicContact CZ3-CD1 3.99Å; W298-V332 HydrophobicContact CH2-CG1 4.31Å; W298-V332 HydrophobicContact CH2-CG2 4.03Å; W298-V332 HydrophobicContact CZ3-CB 4.37Å; W298-V332 HydrophobicContact CZ3-CG2 3.75Å; W298-F353 WeakPolarHBondContact O-CD2 3.4Å; W298-F353 WeakPolarHBondContact O-CE2 3.31Å
299A85.4Confident73.5Confident8 Ų852.6 Ų52.67%0.06628%0.281CS..  trans-74.7125.2167.100000108.9L317 F353A299-L317 HydrophobicContact CB-CB 3.81Å; A299-L317 PolarHBondContact N-O 2.92Å; A299-F353 HydrophobicContact CB-CE1 4.25Å; A299-F353 HydrophobicContact CB-CE2 4.08Å; A299-F353 HydrophobicContact CB-CZ 3.75Å
300S66.9Low71.1Confident67 Ų6756.8 Ų56.847%0.46931%0.311SS..SBendtrans-80.1-24.3-179.753.70000113.1
301H59.2Low68.7Low119 Ų11954 Ų5455%0.55131%0.309SS*.  trans-143.393.3180-72.863.3000110Q303H301-Q303 PolarHBondContact O-N 3.07Å
302P53.7Low66.3Low32 Ų3252.6 Ų52.621%0.20830%0.303CS..G310 helixtrans-65.5-19.517626.4-33.1000112.2N304 L305 L317P302-N304 VanDerWaalsContact C-N 3.25Å; P302-N304 PolarHBondContact O-N 2.82Å; P302-L305 PolarHBondContact O-N 3.11Å; P302-L305 VanDerWaalsContact O-N 3.12Å; P302-L317 HydrophobicContact CB-CD1 3.93Å
303Q48.3Very low64Low137 Ų13757 Ų5764%0.6433%0.326SS*.G310 helixtrans-63-25.1-175.4-61.2-169.77.100114.1H301 L305H301-Q303 PolarHBondContact O-N 3.07Å; Q303-L305 VanDerWaalsContact C-N 3.33Å
304N45.5Very low61.9Low89 Ų8962.1 Ų62.148%0.47636%0.362SS..G310 helixtrans-82.7-8.6178.9-73.8-9.9000113.8P302 N306 H356P302-N304 VanDerWaalsContact C-N 3.25Å; P302-N304 PolarHBondContact O-N 2.82Å; N304-N306 PolarHBondContact O-N 3.26Å; N304-H356 PolarHBondContact ND2-O 3.39Å
305L51.1Low60.3Low17 Ų1761.3 Ų61.39%0.08936%0.358CS..  trans-82.174.3169.2-76.7131.1000109.2P302 Q303 S307 L308 L317 L374P302-L305 PolarHBondContact O-N 3.11Å; P302-L305 VanDerWaalsContact O-N 3.12Å; Q303-L305 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 3.04Å; L305-L308 HydrophobicContact CB-CD1 3.89Å; L305-L308 HydrophobicContact CB-CG 4.48Å; L305-L308 PolarHBondContact O-N 2.86Å; L305-L308 VanDerWaalsContact O-N 3.14Å; L305-L317 HydrophobicContact CD1-CD1 3.8Å; L305-L374 HydrophobicContact CD2-CB 3.69Å; L305-L374 HydrophobicContact CD2-CD1 4.19Å
306N46.3Very low59.6Low153 Ų15363.5 Ų63.582%0.81837%0.37SS*.THydrogen-bonded Turntrans-61.322.1176.7-80.6-29.5000115.1N304N304-N306 PolarHBondContact O-N 3.26Å
307S48.2Very low59.2Low53 Ų5363.6 Ų63.637%0.37137%0.37SS..THydrogen-bonded Turntrans-125.41.2175.963.10000113.7L305L305-S307 PolarHBondContact O-N 3.04Å
308L47.5Very low59.1Low34 Ų3463 Ų6318%0.17837%0.366CS..SBendtrans-85.6136.6169.2-72159.8000108.5L305 S310 M312 L317 L338L305-L308 HydrophobicContact CB-CD1 3.89Å; L305-L308 HydrophobicContact CB-CG 4.48Å; L305-L308 PolarHBondContact O-N 2.86Å; L305-L308 VanDerWaalsContact O-N 3.14Å; L308-S310 PolarHBondContact O-N 2.83Å; L308-M312 HydrophobicContact CB-CB 4.22Å; L308-L317 HydrophobicContact CD1-CD1 3.59Å; L308-L317 HydrophobicContact CD1-CD2 4.46Å; L308-L338 HydrophobicContact CD2-CD1 4.22Å
309P43.3Very low59.3Low79 Ų7961.8 Ų61.851%0.51336%0.361SS..  trans-55.2139.9177.521.4-30.2000109.4S311 M312P309-S311 PolarHBondContact O-N 3.16Å; P309-M312 HydrophobicContact CG-CG 3.92Å; P309-M312 WeakPolarHBondContact O-CB 3.46Å; P309-M312 PolarHBondContact O-N 2.82Å
310S44.5Very low59.8Low101 Ų10161.4 Ų61.471%0.70636%0.358SS*.G310 helixtrans-54.7-15.6-173.947.90000114.9L308 M312 N313L308-S310 PolarHBondContact O-N 2.83Å; S310-M312 PolarHBondContact O-N 2.83Å; S310-N313 VanDerWaalsContact O-CG 3.29Å; S310-N313 PolarHBondContact O-ND2 2.85Å
311S42.8Very low61.2Low96 Ų9658.2 Ų58.267%0.67134%0.336SS*.G310 helixtrans-69.5-12.417068.70000114.2P309P309-S311 PolarHBondContact O-N 3.16Å
312M45.8Very low63Low48 Ų4852.6 Ų52.624%0.23631%0.309CS..G310 helixtrans-102.412.2-176.7-61.5-63.3172.900113L308 P309 S310 S314 S315 I334L308-M312 HydrophobicContact CB-CB 4.22Å; P309-M312 HydrophobicContact CG-CG 3.92Å; P309-M312 WeakPolarHBondContact O-CB 3.46Å; P309-M312 PolarHBondContact O-N 2.82Å; S310-M312 PolarHBondContact O-N 2.83Å; M312-S314 PolarHBondContact O-N 2.88Å; M312-S315 WeakPolarHBondContact O-CB 3.29Å; M312-S315 PolarHBondContact O-N 2.76Å; M312-S315 PolarHBondContact O-OG 3.45Å; M312-I334 HydrophobicContact CE-CD1 3.55Å; M312-I334 HydrophobicContact SD-CD1 4.03Å
313N46.7Very low65Low103 Ų10353.1 Ų53.155%0.55131%0.307SS*.THydrogen-bonded Turntrans-61.8-9.5-178-77-6.6000114.4S310S310-N313 VanDerWaalsContact O-CG 3.29Å; S310-N313 PolarHBondContact O-ND2 2.85Å
314S52.3Low67.2Low107 Ų10747.9 Ų47.975%0.74828%0.284SS*.THydrogen-bonded Turntrans-119.918.3173.3-156.30000113M312 L316 N333M312-S314 PolarHBondContact O-N 2.88Å; S314-L316 PolarHBondContact O-N 2.87Å; S314-N333 PolarHBondContact O-ND2 2.72Å; S314-N333 VanDerWaalsContact O-ND2 3.13Å
315S61.7Low69.6Low3 Ų350.4 Ų50.42%0.02129%0.286CS..  trans-76.7122.7179.560.90000110.8M312 L317 D331M312-S315 WeakPolarHBondContact O-CB 3.29Å; M312-S315 PolarHBondContact O-N 2.76Å; M312-S315 PolarHBondContact O-OG 3.45Å; S315-L317 PolarHBondContact O-N 3.46Å; S315-D331 WeakPolarHBondContact CB-OD2 3.43Å
316L80.8Confident71.8Confident47 Ų4750.4 Ų50.425%0.24629%0.287CS..  trans-75.8108.3170.1-74.4172.7000108.2L262 W298 S314 V332L262-L316 HydrophobicContact CD1-CD1 3.7Å; W298-L316 HydrophobicContact CZ3-CB 4.09Å; S314-L316 PolarHBondContact O-N 2.87Å; L316-V332 HydrophobicContact CB-CB 4.15Å; L316-V332 WeakPolarHBondContact O-CB 3.35Å; L316-V332 PolarHBondContact O-N 2.66Å
317L87.7Confident74.1Confident5 Ų543.1 Ų43.13%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-92.9131.7179.9-65.8167.8000110.8A299 P302 L305 L308 S315 W330 L338A299-L317 HydrophobicContact CB-CB 3.81Å; A299-L317 PolarHBondContact N-O 2.92Å; P302-L317 HydrophobicContact CB-CD1 3.93Å; L305-L317 HydrophobicContact CD1-CD1 3.8Å; L308-L317 HydrophobicContact CD1-CD1 3.59Å; L308-L317 HydrophobicContact CD1-CD2 4.46Å; S315-L317 PolarHBondContact O-N 3.46Å; L317-W330 WeakPolarHBondContact CA-O 3.4Å; L317-L338 HydrophobicContact CD2-CD1 3.34Å
318L92.5Very high76.4Confident0 Ų042.5 Ų42.50%024%0.238CC..EExtended strand (participates in β ladder)trans-119.6142.3174.5-164.577.8000110A264 I272 I274 L286 I296 W298 W330 V332A264-L318 HydrophobicContact CB-CD1 3.82Å; A264-L318 HydrophobicContact CB-CD2 4.01Å; I272-L318 HydrophobicContact CG2-CD2 3.62Å; I274-L318 HydrophobicContact CD1-CD2 4.01Å; L286-L318 HydrophobicContact CD1-CD2 4.14Å; I296-L318 HydrophobicContact CG2-CD1 3.34Å; I296-L318 HydrophobicContact CG2-CD2 3.83Å; I296-L318 HydrophobicContact CG2-CG 3.62Å; W298-L318 HydrophobicContact CD2-CD1 3.35Å; W298-L318 HydrophobicContact CE3-CD1 3.61Å; W298-L318 HydrophobicContact CG-CD1 3.8Å; W298-L318 HydrophobicContact CH2-CD1 4.18Å; W298-L318 HydrophobicContact CZ2-CD1 3.97Å; W298-L318 HydrophobicContact CZ3-CD1 3.99Å; L318-W330 HydrophobicContact CB-CB 4.31Å; L318-W330 PolarHBondContact N-O 2.83Å; L318-W330 PolarHBondContact O-N 3.32Å; L318-V332 HydrophobicContact CB-CG2 3.71Å
319V94.3Very high78.6Confident0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-120.9138.4173.8-166.10000109.2I296 A297 I327 R328 F329 L351 F353 L360I296-V319 CarbonylContact C-O 3.58Å; I296-V319 VanDerWaalsContact CA-O 3.26Å; I296-V319 WeakPolarHBondContact CA-O 3.3Å; A297-V319 PolarHBondContact N-O 2.58Å; A297-V319 PolarHBondContact O-N 2.67Å; V319-I327 HydrophobicContact CG1-CG2 3.33Å; V319-R328 CarbonylContact C-O 3.48Å; V319-R328 VanDerWaalsContact CA-O 3.29Å; V319-R328 WeakPolarHBondContact CA-O 3.33Å; V319-R328 WeakPolarHBondContact CG1-O 3.38Å; V319-F329 HydrophobicContact CB-CE1 4.47Å; V319-F329 HydrophobicContact CB-CZ 4.4Å; V319-F329 HydrophobicContact CG1-CD2 3.96Å; V319-F329 HydrophobicContact CG1-CE1 4.37Å; V319-F329 HydrophobicContact CG1-CE2 3.65Å; V319-F329 HydrophobicContact CG1-CG 4.43Å; V319-F329 HydrophobicContact CG1-CZ 3.86Å; V319-F329 HydrophobicContact CG2-CD1 3.53Å; V319-F329 HydrophobicContact CG2-CD2 4.31Å; V319-F329 HydrophobicContact CG2-CE1 3.26Å; V319-F329 HydrophobicContact CG2-CE2 4.08Å; V319-F329 HydrophobicContact CG2-CG 4.05Å; V319-F329 HydrophobicContact CG2-CZ 3.54Å; V319-L351 HydrophobicContact CB-CD1 4.27Å; V319-L351 HydrophobicContact CG1-CD1 3.74Å; V319-F353 HydrophobicContact CB-CE2 4.46Å; V319-F353 HydrophobicContact CB-CZ 4.38Å; V319-F353 HydrophobicContact CG2-CE1 4.3Å; V319-F353 HydrophobicContact CG2-CE2 3.77Å; V319-F353 HydrophobicContact CG2-CZ 3.3Å; V319-L360 HydrophobicContact CG1-CD2 4.06Å
320S96.5Very high80.9Confident0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-129142.8177.357.20000111.9I272 H289 C295 I327 R328 W330 L351I272-S320 VanDerWaalsContact CD1-OG 3.27Å; I272-S320 WeakPolarHBondContact CD1-OG 3.45Å; H289-S320 PolarHBondContact CD2-OG 3.44Å; H289-S320 PolarHBondContact NE2-OG 2.89Å; C295-S320 WeakPolarHBondContact O-CA 3.44Å; S320-I327 CarbonylContact O-C 3.55Å; S320-I327 VanDerWaalsContact O-CA 3.26Å; S320-I327 WeakPolarHBondContact O-CA 3.37Å; S320-R328 PolarHBondContact N-O 3.26Å; S320-R328 PolarHBondContact O-N 3.41Å; S320-W330 PolarHBondContact OG-NE1 3.49Å; S320-L351 VanDerWaalsContact C-CD1 3.49Å
321G96.4Very high83.1Confident0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-113.8135.8173.600000110E294 C295E294-G321 PolarHBondContact N-O 3.34Å; C295-G321 PolarHBondContact N-O 2.89Å; C295-G321 PolarHBondContact O-N 2.88Å
322S97.1Very high85.3Confident0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-127.8164.3-176.2170.30000112.3H289 H291 V292 D324 R325 T326 V348H289-S322 WeakPolarHBondContact CE1-CB 3.23Å; H289-S322 WeakPolarHBondContact ND1-CB 3.49Å; H291-S322 PolarHBondContact O-OG 2.88Å; V292-S322 WeakPolarHBondContact O-CA 3.3Å; V292-S322 WeakPolarHBondContact O-CB 3.43Å; V292-S322 PolarHBondContact O-OG 2.88Å; S322-D324 VanDerWaalsContact CB-OD1 3.23Å; S322-D324 WeakPolarHBondContact CB-OD1 3.36Å; S322-D324 PolarHBondContact O-N 2.69Å; S322-D324 VanDerWaalsContact OG-CG 3.25Å; S322-D324 PolarHBondContact OG-N 3.49Å; S322-D324 VanDerWaalsContact OG-N 3.12Å; S322-D324 PolarHBondContact OG-OD1 2.88Å; S322-D324 PolarHBondContact OG-OD2 3.09Å; S322-R325 PolarHBondContact O-N 2.94Å; S322-T326 PolarHBondContact N-O 2.93Å; S322-V348 PolarHBondContact O-N 2.82Å; S322-V348 VanDerWaalsContact O-N 3.14Å
323R96.1Very high87.2Confident44 Ų4430.9 Ų30.917%0.16616%0.157CC..THydrogen-bonded Turntrans-68-11.7168.6-62-166.7-168.2-165.6-2113.4H291 V292 E294 R325 W347H291-R323 HydrophobicContact CB-CB 4.13Å; H291-R323 VanDerWaalsContact ND1-CB 3.3Å; H291-R323 WeakPolarHBondContact ND1-CB 3.39Å; V292-R323 HydrophobicContact CB-CG 4.07Å; V292-R323 HydrophobicContact CG1-CG 4.46Å; V292-R323 PolarHBondContact O-N 2.81Å; E294-R323 HydrophobicContact CG-CG 3.81Å; E294-R323 IonicContact OE1-CZ 3.63Å; E294-R323 IonicContact OE1-NE 3.1Å; E294-R323 PolarHBondContact OE1-NE 2.93Å; E294-R323 IonicContact OE1-NH2 3.16Å; E294-R323 PolarHBondContact OE1-NH2 3.45Å; E294-R323 IonicContact OE2-NH2 3.46Å; R323-R325 PolarHBondContact O-N 3.21Å; R323-W347 HydrophobicContact CB-CB 4.3Å; R323-W347 HydrophobicContact CB-CD2 4.09Å; R323-W347 HydrophobicContact CB-CG 3.72Å; R323-W347 HydrophobicContact CG-CB 4.01Å; R323-W347 HydrophobicContact CG-CD2 3.64Å; R323-W347 HydrophobicContact CG-CE3 4.05Å; R323-W347 HydrophobicContact CG-CG 3.58Å; R323-W347 VanDerWaalsContact NH1-CH2 3.3Å; R323-W347 VanDerWaalsContact O-CD1 3.26Å
324D94.9Very high89Confident26 Ų2630.2 Ų30.214%0.13915%0.153CC..THydrogen-bonded Turntrans-72.24.316969.513.3000113.2H289 E290 H291 S322 T326H289-D324 WeakPolarHBondContact CA-OD2 3.49Å; H289-D324 IonicContact CE1-OD2 3.57Å; H289-D324 IonicContact CG-OD2 3.9Å; H289-D324 IonicContact ND1-OD1 2.81Å; H289-D324 PolarHBondContact ND1-OD1 3.32Å; H289-D324 IonicContact ND1-OD2 3.93Å; H289-D324 PolarHBondContact ND1-OD2 2.85Å; E290-D324 HydrophobicContact CB-CB 4.19Å; E290-D324 PolarHBondContact N-OD2 2.9Å; E290-D324 VanDerWaalsContact N-OD2 3.09Å; H291-D324 HydrophobicContact CB-CB 3.98Å; S322-D324 VanDerWaalsContact CB-OD1 3.23Å; S322-D324 WeakPolarHBondContact CB-OD1 3.36Å; S322-D324 PolarHBondContact O-N 2.69Å; S322-D324 VanDerWaalsContact OG-CG 3.25Å; S322-D324 PolarHBondContact OG-N 3.49Å; S322-D324 VanDerWaalsContact OG-N 3.12Å; S322-D324 PolarHBondContact OG-OD1 2.88Å; S322-D324 PolarHBondContact OG-OD2 3.09Å; D324-T326 PolarHBondContact O-N 2.81Å; D324-T326 WeakPolarHBondContact OD1-CA 3.32Å; D324-T326 VanDerWaalsContact OD1-CB 3.27Å; D324-T326 WeakPolarHBondContact OD1-CB 3.38Å; D324-T326 PolarHBondContact OD1-N 3.07Å; D324-T326 PolarHBondContact OD1-OG1 2.92Å; D324-T326 PolarHBondContact OD2-OG1 2.82Å
325R95.6Very high90.7Very high142 Ų14226.4 Ų26.454%0.53613%0.13SC..SBendtrans719.1178.2-40.9167.1-158178.56.4113.6S322 R323 H344 D345S322-R325 PolarHBondContact O-N 2.94Å; R323-R325 PolarHBondContact O-N 3.21Å; R325-H344 WeakPolarHBondContact CB-O 3.45Å; R325-D345 WeakPolarHBondContact CD-O 3.27Å
326T96.3Very high92.1Very high17 Ų1730.2 Ų30.210%0.10415%0.149CC..EExtended strand (participates in β ladder)trans-104.6150-179.776.20000111.7H289 S322 D324 V340 I342H289-T326 PolarHBondContact CE1-OG1 2.9Å; H289-T326 PolarHBondContact ND1-OG1 2.79Å; S322-T326 PolarHBondContact N-O 2.93Å; D324-T326 PolarHBondContact O-N 2.81Å; D324-T326 WeakPolarHBondContact OD1-CA 3.32Å; D324-T326 VanDerWaalsContact OD1-CB 3.27Å; D324-T326 WeakPolarHBondContact OD1-CB 3.38Å; D324-T326 PolarHBondContact OD1-N 3.07Å; D324-T326 PolarHBondContact OD1-OG1 2.92Å; D324-T326 PolarHBondContact OD2-OG1 2.82Å; T326-V340 HydrophobicContact CG2-CG1 4.05Å; T326-I342 HydrophobicContact CG2-CG1 4.34Å
327I96.1Very high92.6Very high1 Ų130 Ų301%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-112.7123.2167-57.9168.4000106.8V319 S320 F329 V340 L341 V348 L351 L360 W372V319-I327 HydrophobicContact CG1-CG2 3.33Å; S320-I327 CarbonylContact O-C 3.55Å; S320-I327 VanDerWaalsContact O-CA 3.26Å; S320-I327 WeakPolarHBondContact O-CA 3.37Å; I327-F329 HydrophobicContact CG2-CE2 4.19Å; I327-V340 CarbonylContact O-C 3.58Å; I327-V340 WeakPolarHBondContact O-CA 3.27Å; I327-L341 HydrophobicContact CB-CB 4.2Å; I327-L341 PolarHBondContact N-O 3.38Å; I327-L341 PolarHBondContact O-N 3.01Å; I327-V348 HydrophobicContact CD1-CG1 4.38Å; I327-V348 HydrophobicContact CG1-CG1 4.11Å; I327-V348 HydrophobicContact CG1-CG2 4.05Å; I327-L351 HydrophobicContact CD1-CD2 3.78Å; I327-L351 HydrophobicContact CG1-CD2 4.08Å; I327-L351 HydrophobicContact CG2-CD1 4.05Å; I327-L351 HydrophobicContact CG2-CD2 4.13Å; I327-L360 HydrophobicContact CG2-CD2 3.98Å; I327-W372 HydrophobicContact CD1-CZ2 4.02Å
328R94.9Very high92.7Very high40 Ų4032.2 Ų32.215%0.15116%0.163CC..EExtended strand (participates in β ladder)trans-113.2137.5-177.1-66.7-172.4176.7-137.75.4111G288 H289 V319 S320 W330 V340G288-R328 VanDerWaalsContact C-NH1 3.25Å; G288-R328 PolarHBondContact O-NH1 3Å; G288-R328 PolarHBondContact O-NH2 2.8Å; H289-R328 VanDerWaalsContact CE1-CD 3.5Å; H289-R328 WeakPolarHBondContact CE1-CD 3.25Å; H289-R328 VanDerWaalsContact CE1-CG 3.45Å; H289-R328 WeakPolarHBondContact CE1-CG 3.33Å; V319-R328 CarbonylContact C-O 3.48Å; V319-R328 VanDerWaalsContact CA-O 3.29Å; V319-R328 WeakPolarHBondContact CA-O 3.33Å; V319-R328 WeakPolarHBondContact CG1-O 3.38Å; S320-R328 PolarHBondContact N-O 3.26Å; S320-R328 PolarHBondContact O-N 3.41Å; R328-W330 HydrophobicContact CB-CZ2 3.83Å; R328-W330 HydrophobicContact CG-CZ2 4.35Å; R328-V340 HydrophobicContact CG-CG1 4.09Å; R328-V340 HydrophobicContact CG-CG2 4.03Å
329F93.7Very high92.6Very high3 Ų333.4 Ų33.41%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-102.4132.8173.8-81.1-107.1000109.4V319 I327 C337 L338 F339 L341 F353 L360 L374V319-F329 HydrophobicContact CB-CE1 4.47Å; V319-F329 HydrophobicContact CB-CZ 4.4Å; V319-F329 HydrophobicContact CG1-CD2 3.96Å; V319-F329 HydrophobicContact CG1-CE1 4.37Å; V319-F329 HydrophobicContact CG1-CE2 3.65Å; V319-F329 HydrophobicContact CG1-CG 4.43Å; V319-F329 HydrophobicContact CG1-CZ 3.86Å; V319-F329 HydrophobicContact CG2-CD1 3.53Å; V319-F329 HydrophobicContact CG2-CD2 4.31Å; V319-F329 HydrophobicContact CG2-CE1 3.26Å; V319-F329 HydrophobicContact CG2-CE2 4.08Å; V319-F329 HydrophobicContact CG2-CG 4.05Å; V319-F329 HydrophobicContact CG2-CZ 3.54Å; I327-F329 HydrophobicContact CG2-CE2 4.19Å; F329-C337 CarbonylContact O-C 3.48Å; F329-C337 WeakPolarHBondContact O-CA 3.42Å; F329-L338 HydrophobicContact CB-CB 4.43Å; F329-L338 PolarHBondContact O-N 3.01Å; F329-F339 HydrophobicContact CB-CD1 4.09Å; F329-F339 HydrophobicContact CB-CD2 4.35Å; F329-F339 HydrophobicContact CB-CE1 3.82Å; F329-F339 HydrophobicContact CB-CE2 4.1Å; F329-F339 HydrophobicContact CB-CG 4.34Å; F329-F339 HydrophobicContact CB-CZ 3.83Å; F329-F339 HydrophobicContact CD1-CE1 4.08Å; F329-F339 HydrophobicContact CD1-CE2 4.18Å; F329-F339 AromaticContact CD1-CZ 3.55Å; F329-F339 HydrophobicContact CD1-CZ 3.55Å; F329-F339 AromaticContact CD2-CD2 3.95Å; F329-F339 HydrophobicContact CD2-CD2 3.95Å; F329-F339 HydrophobicContact CD2-CE1 4.42Å; F329-F339 AromaticContact CD2-CE2 3.29Å; F329-F339 HydrophobicContact CD2-CE2 3.29Å; F329-F339 AromaticContact CD2-CZ 3.58Å; F329-F339 HydrophobicContact CD2-CZ 3.58Å; F329-F339 HydrophobicContact CE1-CE2 4.48Å; F329-F339 AromaticContact CE1-CZ 3.96Å; F329-F339 HydrophobicContact CE1-CZ 3.96Å; F329-F339 AromaticContact CE2-CE2 3.69Å; F329-F339 HydrophobicContact CE2-CE2 3.69Å; F329-F339 HydrophobicContact CE2-CZ 4.01Å; F329-F339 HydrophobicContact CG-CD1 4.49Å; F329-F339 HydrophobicContact CG-CD2 4.26Å; F329-F339 AromaticContact CG-CE1 3.85Å; F329-F339 HydrophobicContact CG-CE1 3.85Å; F329-F339 AromaticContact CG-CE2 3.58Å; F329-F339 HydrophobicContact CG-CE2 3.58Å; F329-F339 AromaticContact CG-CZ 3.34Å; F329-F339 HydrophobicContact CG-CZ 3.34Å; F329-F339 HydrophobicContact CZ-CE2 4.27Å; F329-F339 HydrophobicContact CZ-CZ 4.18Å; F329-F339 PolarHBondContact N-O 3.33Å; F329-L341 HydrophobicContact CD2-CD1 4.48Å; F329-L341 HydrophobicContact CE2-CD1 3.68Å; F329-L341 HydrophobicContact CE2-CG 4.21Å; F329-L341 HydrophobicContact CZ-CD1 4.48Å; F329-F353 HydrophobicContact CE1-CE1 4.35Å; F329-F353 HydrophobicContact CE1-CZ 4.29Å; F329-L360 HydrophobicContact CE2-CD2 4.02Å; F329-L360 HydrophobicContact CZ-CD2 3.85Å; F329-L374 HydrophobicContact CE1-CD1 4.47Å; F329-L374 HydrophobicContact CE1-CD2 3.98Å; F329-L374 HydrophobicContact CE2-CD2 4.16Å; F329-L374 HydrophobicContact CZ-CD2 3.37Å
330W92.5Very high92.6Very high4 Ų436 Ų362%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-125.7137.8-175.4-51.989.4000110.1I272 L286 L317 L318 S320 R328 I336 C337I272-W330 HydrophobicContact CD1-CZ2 4.3Å; L286-W330 HydrophobicContact CB-CD2 4.18Å; L286-W330 HydrophobicContact CB-CE3 3.88Å; L286-W330 HydrophobicContact CB-CH2 4.36Å; L286-W330 HydrophobicContact CB-CZ3 3.97Å; L286-W330 HydrophobicContact CD1-CB 3.77Å; L286-W330 HydrophobicContact CD1-CD2 3.94Å; L286-W330 HydrophobicContact CD1-CE3 4.19Å; L286-W330 HydrophobicContact CD1-CG 3.75Å; L286-W330 HydrophobicContact CD2-CE3 3.94Å; L286-W330 HydrophobicContact CG-CD2 4.44Å; L286-W330 HydrophobicContact CG-CE3 4.22Å; L317-W330 WeakPolarHBondContact CA-O 3.4Å; L318-W330 HydrophobicContact CB-CB 4.31Å; L318-W330 PolarHBondContact N-O 2.83Å; L318-W330 PolarHBondContact O-N 3.32Å; S320-W330 PolarHBondContact OG-NE1 3.49Å; R328-W330 HydrophobicContact CB-CZ2 3.83Å; R328-W330 HydrophobicContact CG-CZ2 4.35Å; W330-I336 WeakPolarHBondContact CA-O 3.3Å; W330-C337 HydrophobicContact CD2-CB 4.35Å; W330-C337 HydrophobicContact CE3-CB 3.73Å; W330-C337 HydrophobicContact CH2-CB 4.05Å; W330-C337 HydrophobicContact CZ3-CB 3.57Å
331D90.4Very high92.4Very high2 Ų236.2 Ų36.21%0.01119%0.185CC..EExtended strand (participates in β ladder)trans-88.7114.3160.5-170.9-37.9000107.7S315 N333 I334 G335 I336 L338S315-D331 WeakPolarHBondContact CB-OD2 3.43Å; D331-N333 VanDerWaalsContact C-N 3.34Å; D331-N333 WeakPolarHBondContact OD1-CB 3.32Å; D331-N333 PolarHBondContact OD1-N 3.46Å; D331-I334 HydrophobicContact CB-CB 4.39Å; D331-I334 HydrophobicContact CB-CD1 4.47Å; D331-I334 PolarHBondContact OD1-N 3.37Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.31Å; D331-G335 WeakPolarHBondContact O-CA 3.48Å; D331-G335 PolarHBondContact O-N 3.49Å; D331-I336 HydrophobicContact CB-CG1 4.36Å; D331-I336 PolarHBondContact N-O 2.99Å; D331-I336 PolarHBondContact O-N 3.36Å; D331-L338 HydrophobicContact CB-CD1 4.2Å; D331-L338 HydrophobicContact CB-CD2 4.08Å; D331-L338 HydrophobicContact CB-CG 4.14Å
332V88.8Confident92.3Very high5 Ų542.4 Ų42.43%0.0322%0.217CC..THydrogen-bonded Turntrans-71.5-30.3-177.6171.40000112I274 W298 L316 L318I274-V332 HydrophobicContact CB-CG1 4.42Å; I274-V332 HydrophobicContact CD1-CG1 4.36Å; I274-V332 HydrophobicContact CD1-CG2 4.26Å; I274-V332 HydrophobicContact CG1-CG1 3.86Å; I274-V332 HydrophobicContact CG1-CG2 4.43Å; I274-V332 HydrophobicContact CG2-CG1 4Å; W298-V332 HydrophobicContact CH2-CG1 4.31Å; W298-V332 HydrophobicContact CH2-CG2 4.03Å; W298-V332 HydrophobicContact CZ3-CB 4.37Å; W298-V332 HydrophobicContact CZ3-CG2 3.75Å; L316-V332 HydrophobicContact CB-CB 4.15Å; L316-V332 WeakPolarHBondContact O-CB 3.35Å; L316-V332 PolarHBondContact O-N 2.66Å; L318-V332 HydrophobicContact CB-CG2 3.71Å
333N85.5Confident91.9Very high100 Ų10043.4 Ų43.454%0.53523%0.227SC..THydrogen-bonded Turntrans-70.8-38.5-178.2-65.9-20.8000111.1S314 D331S314-N333 PolarHBondContact O-ND2 2.72Å; S314-N333 VanDerWaalsContact O-ND2 3.13Å; D331-N333 VanDerWaalsContact C-N 3.34Å; D331-N333 WeakPolarHBondContact OD1-CB 3.32Å; D331-N333 PolarHBondContact OD1-N 3.46Å
334I86.1Confident91.7Very high89 Ų8941.6 Ų41.646%0.45622%0.221SC..THydrogen-bonded Turntrans-91.7-27.8-178.5-50.7174.2000111.1M312 D331 I336M312-I334 HydrophobicContact CE-CD1 3.55Å; M312-I334 HydrophobicContact SD-CD1 4.03Å; D331-I334 HydrophobicContact CB-CB 4.39Å; D331-I334 HydrophobicContact CB-CD1 4.47Å; D331-I334 PolarHBondContact OD1-N 3.37Å; D331-I334 WeakPolarHBondContact OD2-CD1 3.31Å; I334-I336 HydrophobicContact CB-CG1 4.05Å; I334-I336 HydrophobicContact CD1-CD1 4.48Å; I334-I336 HydrophobicContact CG2-CB 4.45Å; I334-I336 HydrophobicContact CG2-CD1 4.03Å; I334-I336 HydrophobicContact CG2-CG1 3.88Å; I334-I336 HydrophobicContact CG2-CG2 3.89Å
335G87.9Confident91.6Very high27 Ų2745.8 Ų45.828%0.27824%0.243SC..THydrogen-bonded Turntrans80.122.1-177.300000114.1D331D331-G335 WeakPolarHBondContact O-CA 3.48Å; D331-G335 PolarHBondContact O-N 3.49Å
336I89.6Confident91.6Very high82 Ų8241.3 Ų41.342%0.42123%0.23SC..EExtended strand (participates in β ladder)trans-109.6149.5-177.762.7170.4000112.2W330 D331 I334 L338W330-I336 WeakPolarHBondContact CA-O 3.3Å; D331-I336 HydrophobicContact CB-CG1 4.36Å; D331-I336 PolarHBondContact N-O 2.99Å; D331-I336 PolarHBondContact O-N 3.36Å; I334-I336 HydrophobicContact CB-CG1 4.05Å; I334-I336 HydrophobicContact CD1-CD1 4.48Å; I334-I336 HydrophobicContact CG2-CB 4.45Å; I334-I336 HydrophobicContact CG2-CD1 4.03Å; I334-I336 HydrophobicContact CG2-CG1 3.88Å; I334-I336 HydrophobicContact CG2-CG2 3.89Å; I336-L338 HydrophobicContact CD1-CD2 4.21Å; I336-L338 HydrophobicContact CG1-CD2 4.31Å; I336-L338 PolarHBondContact O-N 3.29Å
337C91.8Very high91.6Very high44 Ų4444.4 Ų44.430%0.29724%0.239SC..EExtended strand (participates in β ladder)trans-76.9118.3166.7-173.30000108.7F329 W330F329-C337 CarbonylContact O-C 3.48Å; F329-C337 WeakPolarHBondContact O-CA 3.42Å; W330-C337 HydrophobicContact CD2-CB 4.35Å; W330-C337 HydrophobicContact CE3-CB 3.73Å; W330-C337 HydrophobicContact CH2-CB 4.05Å; W330-C337 HydrophobicContact CZ3-CB 3.57Å
338L89.7Confident91.7Very high51 Ų5144.3 Ų44.327%0.26724%0.239SC..EExtended strand (participates in β ladder)trans-76.1-46.9179.8-65.1175.7000111.7L308 L317 F329 D331 I336L308-L338 HydrophobicContact CD2-CD1 4.22Å; L317-L338 HydrophobicContact CD2-CD1 3.34Å; F329-L338 HydrophobicContact CB-CB 4.43Å; F329-L338 PolarHBondContact O-N 3.01Å; D331-L338 HydrophobicContact CB-CD1 4.2Å; D331-L338 HydrophobicContact CB-CD2 4.08Å; D331-L338 HydrophobicContact CB-CG 4.14Å; I336-L338 HydrophobicContact CD1-CD2 4.21Å; I336-L338 HydrophobicContact CG1-CD2 4.31Å; I336-L338 PolarHBondContact O-N 3.29Å
339F91.3Very high91.7Very high24 Ų2445.4 Ų45.411%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-163.5165.9176.758.8-87.5000111.4F329 L341 R377F329-F339 HydrophobicContact CB-CD1 4.09Å; F329-F339 HydrophobicContact CB-CD2 4.35Å; F329-F339 HydrophobicContact CB-CE1 3.82Å; F329-F339 HydrophobicContact CB-CE2 4.1Å; F329-F339 HydrophobicContact CB-CG 4.34Å; F329-F339 HydrophobicContact CB-CZ 3.83Å; F329-F339 HydrophobicContact CD1-CE1 4.08Å; F329-F339 HydrophobicContact CD1-CE2 4.18Å; F329-F339 AromaticContact CD1-CZ 3.55Å; F329-F339 HydrophobicContact CD1-CZ 3.55Å; F329-F339 AromaticContact CD2-CD2 3.95Å; F329-F339 HydrophobicContact CD2-CD2 3.95Å; F329-F339 HydrophobicContact CD2-CE1 4.42Å; F329-F339 AromaticContact CD2-CE2 3.29Å; F329-F339 HydrophobicContact CD2-CE2 3.29Å; F329-F339 AromaticContact CD2-CZ 3.58Å; F329-F339 HydrophobicContact CD2-CZ 3.58Å; F329-F339 HydrophobicContact CE1-CE2 4.48Å; F329-F339 AromaticContact CE1-CZ 3.96Å; F329-F339 HydrophobicContact CE1-CZ 3.96Å; F329-F339 AromaticContact CE2-CE2 3.69Å; F329-F339 HydrophobicContact CE2-CE2 3.69Å; F329-F339 HydrophobicContact CE2-CZ 4.01Å; F329-F339 HydrophobicContact CG-CD1 4.49Å; F329-F339 HydrophobicContact CG-CD2 4.26Å; F329-F339 AromaticContact CG-CE1 3.85Å; F329-F339 HydrophobicContact CG-CE1 3.85Å; F329-F339 AromaticContact CG-CE2 3.58Å; F329-F339 HydrophobicContact CG-CE2 3.58Å; F329-F339 AromaticContact CG-CZ 3.34Å; F329-F339 HydrophobicContact CG-CZ 3.34Å; F329-F339 HydrophobicContact CZ-CE2 4.27Å; F329-F339 HydrophobicContact CZ-CZ 4.18Å; F329-F339 PolarHBondContact N-O 3.33Å; F339-L341 HydrophobicContact CD2-CD2 4.04Å; F339-L341 HydrophobicContact CD2-CG 4.29Å; F339-L341 HydrophobicContact CE2-CD2 3.97Å; F339-L341 HydrophobicContact CE2-CG 4.13Å; F339-R377 HydrophobicContact CD2-CG 4.27Å; F339-R377 HydrophobicContact CE2-CG 4.24Å
340V93.7Very high91.8Very high56 Ų5645.8 Ų45.834%0.33925%0.245SC..EExtended strand (participates in β ladder)trans-121.9132.5-179.4-171.90000108.5T326 I327 R328 I342T326-V340 HydrophobicContact CG2-CG1 4.05Å; I327-V340 CarbonylContact O-C 3.58Å; I327-V340 WeakPolarHBondContact O-CA 3.27Å; R328-V340 HydrophobicContact CG-CG1 4.09Å; R328-V340 HydrophobicContact CG-CG2 4.03Å; V340-I342 HydrophobicContact CG1-CG1 3.98Å
341L93.4Very high91.9Very high3 Ų345.7 Ų45.72%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-98.8125.9168.1-54.9175.9000108.2I327 F329 F339 L360 W372 R377I327-L341 HydrophobicContact CB-CB 4.2Å; I327-L341 PolarHBondContact N-O 3.38Å; I327-L341 PolarHBondContact O-N 3.01Å; F329-L341 HydrophobicContact CD2-CD1 4.48Å; F329-L341 HydrophobicContact CE2-CD1 3.68Å; F329-L341 HydrophobicContact CE2-CG 4.21Å; F329-L341 HydrophobicContact CZ-CD1 4.48Å; F339-L341 HydrophobicContact CD2-CD2 4.04Å; F339-L341 HydrophobicContact CD2-CG 4.29Å; F339-L341 HydrophobicContact CE2-CD2 3.97Å; F339-L341 HydrophobicContact CE2-CG 4.13Å; L341-L360 HydrophobicContact CD1-CD2 4.46Å; L341-W372 HydrophobicContact CB-CD2 4.38Å; L341-W372 HydrophobicContact CB-CE3 3.89Å; L341-W372 HydrophobicContact CB-CH2 4.28Å; L341-W372 HydrophobicContact CB-CZ3 3.83Å; L341-W372 HydrophobicContact CD1-CB 3.95Å; L341-W372 HydrophobicContact CD1-CD2 3.86Å; L341-W372 HydrophobicContact CD1-CE3 3.86Å; L341-W372 HydrophobicContact CD1-CG 3.9Å; L341-W372 HydrophobicContact CD2-CE3 4.3Å; L341-W372 HydrophobicContact CG-CE3 4.25Å; L341-R377 HydrophobicContact CD2-CB 4.08Å
342I93.1Very high92.1Very high131 Ų13146.3 Ų46.367%0.67225%0.249SC*.EExtended strand (participates in β ladder)trans-118.2133.8178.8-56.5173.6000106.9T326 V340T326-I342 HydrophobicContact CG2-CG1 4.34Å; V340-I342 HydrophobicContact CG1-CG1 3.98Å
343G88.6Confident92.2Very high21 Ų2147.5 Ų47.522%0.21625%0.253CS..  trans175.2-35.8171.300000113.6R370G343-R370 PolarHBondContact O-NH1 3.26Å; G343-R370 PolarHBondContact O-NH2 2.66Å
344H92.9Very high92.2Very high6 Ų643.2 Ų43.23%0.02823%0.23CC..  trans-58.6143.2175-83.6-62.7000111.2R325 N346 V348 S362 S364 D366 T368 R370R325-H344 WeakPolarHBondContact CB-O 3.45Å; H344-N346 VanDerWaalsContact C-N 3.35Å; H344-V348 HydrophobicContact CB-CG2 4.24Å; H344-S362 PolarHBondContact CD2-OG 3.11Å; H344-S362 PolarHBondContact NE2-OG 3.37Å; H344-S364 WeakPolarHBondContact CE1-CB 3.26Å; H344-S364 WeakPolarHBondContact ND1-CB 3.23Å; H344-D366 WeakPolarHBondContact CA-OD2 3.35Å; H344-D366 IonicContact CE1-OD1 3.41Å; H344-D366 IonicContact CE1-OD2 3.93Å; H344-D366 IonicContact CG-OD2 3.37Å; H344-D366 IonicContact ND1-OD1 3.87Å; H344-D366 PolarHBondContact ND1-OD1 3.19Å; H344-D366 IonicContact ND1-OD2 3.33Å; H344-D366 PolarHBondContact ND1-OD2 3.35Å; H344-T368 PolarHBondContact CE1-OG1 2.86Å; H344-R370 VanDerWaalsContact CE1-CD 3.48Å; H344-R370 WeakPolarHBondContact CE1-CD 3.43Å; H344-R370 VanDerWaalsContact CE1-CG 3.46Å; H344-R370 WeakPolarHBondContact CE1-CG 3.26Å; H344-R370 PolarHBondContact ND1-NE 2.95Å
345D92.7Very high91.9Very high113 Ų11341.4 Ų41.460%0.60422%0.224SC*.SBendtrans-90.2-9.4-178.2-62.2-59.3000112R325 D366 R370R325-D345 WeakPolarHBondContact CD-O 3.27Å; D345-D366 HydrophobicContact CB-CB 4.03Å; D345-D366 PolarHBondContact N-OD2 3.36Å; D345-D366 VanDerWaalsContact N-OD2 3.14Å; D345-R370 IonicContact OD2-NH2 2.78Å; D345-R370 PolarHBondContact OD2-NH2 3.28Å; D345-R370 VanDerWaalsContact OD2-NH2 3.16Å
346N95.3Very high91.2Very high49 Ų4944.8 Ų44.826%0.26223%0.233SC..SBendtrans-147.4-169.8-177.3-149.6-16.2000111.7H344 V348 S364 D365 D366H344-N346 VanDerWaalsContact C-N 3.35Å; N346-V348 PolarHBondContact O-N 3.33Å; N346-S364 PolarHBondContact O-OG 2.99Å; N346-D365 HydrophobicContact CB-CB 3.91Å; N346-D366 HydrophobicContact CB-CB 4.08Å
347W96.3Very high90.6Very high81 Ų8141.2 Ų41.231%0.30722%0.217SC..  trans-58.8135.6-173.8-55.6-8.6000112.5R323 R349 S364 D365R323-W347 HydrophobicContact CB-CB 4.3Å; R323-W347 HydrophobicContact CB-CD2 4.09Å; R323-W347 HydrophobicContact CB-CG 3.72Å; R323-W347 HydrophobicContact CG-CB 4.01Å; R323-W347 HydrophobicContact CG-CD2 3.64Å; R323-W347 HydrophobicContact CG-CE3 4.05Å; R323-W347 HydrophobicContact CG-CG 3.58Å; R323-W347 VanDerWaalsContact NH1-CH2 3.3Å; R323-W347 VanDerWaalsContact O-CD1 3.26Å; W347-R349 VanDerWaalsContact CE3-NH2 3.3Å; W347-S364 CarbonylContact O-C 3.56Å; W347-S364 WeakPolarHBondContact O-CA 3.45Å; W347-S364 VanDerWaalsContact O-CB 3.27Å; W347-S364 WeakPolarHBondContact O-CB 3.5Å; W347-S364 PolarHBondContact O-OG 3.37Å; W347-D365 HydrophobicContact CB-CB 4.35Å; W347-D365 PolarHBondContact O-N 2.81Å
348V96.8Very high90.1Very high0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-87.8119.5174.9-175.80000109E294 S322 I327 H344 N346 L351E294-V348 VanDerWaalsContact CB-O 3.32Å; E294-V348 WeakPolarHBondContact CB-O 3.4Å; S322-V348 PolarHBondContact O-N 2.82Å; S322-V348 VanDerWaalsContact O-N 3.14Å; I327-V348 HydrophobicContact CD1-CG1 4.38Å; I327-V348 HydrophobicContact CG1-CG1 4.11Å; I327-V348 HydrophobicContact CG1-CG2 4.05Å; H344-V348 HydrophobicContact CB-CG2 4.24Å; N346-V348 PolarHBondContact O-N 3.33Å; V348-L351 HydrophobicContact CG1-CD2 3.92Å; V348-L351 HydrophobicContact CG1-CG 4.33Å
349R95.9Very high90Very high62 Ų6241 Ų4123%0.23421%0.206CC..EExtended strand (participates in β ladder)trans-97.1-36.6-172-67.7-60.5-171156.411.5114.4E294 C295 W347 A363 D365E294-R349 IonicContact OE2-CZ 3.54Å; E294-R349 IonicContact OE2-NH1 3.9Å; E294-R349 PolarHBondContact OE2-NH1 3.47Å; C295-R349 VanDerWaalsContact CB-O 3.3Å; C295-R349 WeakPolarHBondContact CB-O 3.48Å; W347-R349 VanDerWaalsContact CE3-NH2 3.3Å; R349-A363 PolarHBondContact N-O 2.8Å; R349-D365 WeakPolarHBondContact CG-OD1 3.4Å; R349-D365 IonicContact CZ-OD1 2.7Å; R349-D365 IonicContact CZ-OD2 3.88Å; R349-D365 VanDerWaalsContact NE-CG 3.32Å; R349-D365 IonicContact NE-OD1 3.1Å; R349-D365 PolarHBondContact NE-OD1 2.99Å; R349-D365 IonicContact NE-OD2 2.67Å; R349-D365 PolarHBondContact NE-OD2 2.79Å; R349-D365 IonicContact NH2-OD1 3.37Å; R349-D365 IonicContact NH2-OD2 2.79Å; R349-D365 PolarHBondContact NH2-OD2 2.79Å
350Q96Very high90.1Very high11 Ų1139.9 Ų39.95%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-149.8145-176.1-178.8577.500111V352 S362 A363 L393Q350-V352 HydrophobicContact CG-CG2 4.27Å; Q350-S362 WeakPolarHBondContact O-CA 3.49Å; Q350-A363 HydrophobicContact CB-CB 4.34Å; Q350-A363 PolarHBondContact N-O 2.99Å; Q350-A363 PolarHBondContact O-N 3.01Å; Q350-L393 HydrophobicContact CG-CB 4.18Å; Q350-L393 WeakPolarHBondContact CG-O 3.47Å
351L95Very high90.1Very high3 Ų337.3 Ų37.32%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-128.5135.2179-66.6175.8000109.8A297 V319 S320 I327 V348 L360 L361 S362A297-L351 HydrophobicContact CB-CB 4.19Å; V319-L351 HydrophobicContact CB-CD1 4.27Å; V319-L351 HydrophobicContact CG1-CD1 3.74Å; S320-L351 VanDerWaalsContact C-CD1 3.49Å; I327-L351 HydrophobicContact CD1-CD2 3.78Å; I327-L351 HydrophobicContact CG1-CD2 4.08Å; I327-L351 HydrophobicContact CG2-CD1 4.05Å; I327-L351 HydrophobicContact CG2-CD2 4.13Å; V348-L351 HydrophobicContact CG1-CD2 3.92Å; V348-L351 HydrophobicContact CG1-CG 4.33Å; L351-L360 HydrophobicContact CB-CD1 4.43Å; L351-L360 HydrophobicContact CD2-CD2 4.2Å; L351-L361 WeakPolarHBondContact CA-O 3.47Å; L351-S362 VanDerWaalsContact CD2-CB 3.46Å
352V93.3Very high90.2Very high15 Ų1537.2 Ų37.29%0.09119%0.185CC..EExtended strand (participates in β ladder)trans-141.2126.7179.1-177.50000109.6Q350 L361 L393 V395Q350-V352 HydrophobicContact CG-CG2 4.27Å; V352-L361 PolarHBondContact N-O 2.91Å; V352-L361 PolarHBondContact O-N 3.04Å; V352-L393 HydrophobicContact CG2-CD2 4.49Å; V352-L393 HydrophobicContact CG2-CG 4.23Å; V352-L393 WeakPolarHBondContact CG2-O 3.35Å; V352-V395 HydrophobicContact CB-CG2 4.49Å; V352-V395 HydrophobicContact CG1-CB 4.05Å; V352-V395 HydrophobicContact CG1-CG2 3.92Å
353F90.6Very high90.4Very high29 Ų2931 Ų3113%0.12715%0.153CC..EExtended strand (participates in β ladder)trans-74.9136170.8-77.8-82.3000110.3A297 W298 A299 V319 F329 L360 L374A297-F353 HydrophobicContact CB-CD2 4.12Å; A297-F353 HydrophobicContact CB-CE2 4.06Å; W298-F353 WeakPolarHBondContact O-CD2 3.4Å; W298-F353 WeakPolarHBondContact O-CE2 3.31Å; A299-F353 HydrophobicContact CB-CE1 4.25Å; A299-F353 HydrophobicContact CB-CE2 4.08Å; A299-F353 HydrophobicContact CB-CZ 3.75Å; V319-F353 HydrophobicContact CB-CE2 4.46Å; V319-F353 HydrophobicContact CB-CZ 4.38Å; V319-F353 HydrophobicContact CG2-CE1 4.3Å; V319-F353 HydrophobicContact CG2-CE2 3.77Å; V319-F353 HydrophobicContact CG2-CZ 3.3Å; F329-F353 HydrophobicContact CE1-CE1 4.35Å; F329-F353 HydrophobicContact CE1-CZ 4.29Å; F353-L360 HydrophobicContact CD1-CD1 4.11Å; F353-L360 HydrophobicContact CD2-CD1 4.29Å; F353-L360 HydrophobicContact CE1-CD1 4.21Å; F353-L360 HydrophobicContact CE2-CD1 4.38Å; F353-L360 HydrophobicContact CG-CD1 4.18Å; F353-L360 HydrophobicContact CZ-CD1 4.37Å; F353-L374 HydrophobicContact CD1-CD1 4.19Å; F353-L374 HydrophobicContact CE1-CD1 3.84Å
354H86.7Confident90.7Very high11 Ų1130 Ų305%0.05114%0.142CC..  trans-63.9143.9168.2-168.9-92000109.7A108 H356 G357 L359 L361A108-H354 PolarHBondContact O-CD2 3.22Å; A108-H354 PolarHBondContact O-NE2 3.03Å; H354-H356 AromaticContact CE1-CD2 3.35Å; H354-H356 PolarHBondContact CE1-CD2 3.23Å; H354-H356 AromaticContact ND1-CD2 3.66Å; H354-H356 AromaticContact ND1-CG 3.97Å; H354-H356 PolarHBondContact ND1-N 2.75Å; H354-H356 PolarHBondContact O-N 3.25Å; H354-H356 VanDerWaalsContact O-N 3.11Å; H354-G357 WeakPolarHBondContact O-CA 3.48Å; H354-G357 PolarHBondContact O-N 3.49Å; H354-L359 HydrophobicContact CB-CB 3.82Å; H354-L359 WeakPolarHBondContact CB-O 3.3Å; H354-L359 PolarHBondContact N-O 2.76Å; H354-L361 HydrophobicContact CB-CD1 4.28Å
355P80Confident90.9Very high51 Ų5130 Ų3033%0.33114%0.143SC..THydrogen-bonded Turntrans-53.4-35-177.4-29.536000114.7G357 V395 R397P355-G357 VanDerWaalsContact C-N 3.26Å; P355-G357 PolarHBondContact O-N 3.35Å; P355-V395 HydrophobicContact CG-CG1 4.49Å; P355-R397 HydrophobicContact CG-CB 4.4Å; P355-R397 HydrophobicContact CG-CG 4.41Å
356H73.4Confident90.9Very high97 Ų9725.8 Ų25.845%0.44912%0.12SC..THydrogen-bonded Turntrans-75-7.9176-59.8-50.6000114.6V106 N304 H354 R358V106-H356 PolarHBondContact O-CD2 3.45Å; N304-H356 PolarHBondContact ND2-O 3.39Å; H354-H356 AromaticContact CE1-CD2 3.35Å; H354-H356 PolarHBondContact CE1-CD2 3.23Å; H354-H356 AromaticContact ND1-CD2 3.66Å; H354-H356 AromaticContact ND1-CG 3.97Å; H354-H356 PolarHBondContact ND1-N 2.75Å; H354-H356 PolarHBondContact O-N 3.25Å; H354-H356 VanDerWaalsContact O-N 3.11Å; H356-R358 PolarHBondContact O-N 3.49Å
357G76Confident90.9Very high8 Ų827.8 Ų27.88%0.08213%0.127CC..SBendtrans76.9-6.7175.300000116.2H354 P355H354-G357 WeakPolarHBondContact O-CA 3.48Å; H354-G357 PolarHBondContact O-N 3.49Å; P355-G357 VanDerWaalsContact C-N 3.26Å; P355-G357 PolarHBondContact O-N 3.35Å
358R81.9Confident90.9Very high89 Ų8924.3 Ų24.334%0.33612%0.115SC..SBendtrans-75.7-34.2178.5-178.8-178.9171.9-158-2.2113.5D107 H356 D373 L374D107-R358 VanDerWaalsContact CG-NH1 3.28Å; D107-R358 IonicContact OD1-CZ 2.78Å; D107-R358 IonicContact OD1-NH1 4Å; D107-R358 PolarHBondContact OD1-NH1 2.93Å; D107-R358 IonicContact OD2-CZ 2.94Å; D107-R358 IonicContact OD2-NH1 3.84Å; D107-R358 PolarHBondContact OD2-NH1 2.82Å; H356-R358 PolarHBondContact O-N 3.49Å; R358-D373 IonicContact NE-OD1 3.9Å; R358-D373 IonicContact NH2-OD2 3.7Å; R358-L374 WeakPolarHBondContact O-CB 3.32Å; R358-L374 WeakPolarHBondContact O-CG 3.41Å; R358-L374 PolarHBondContact O-N 3.39Å; R358-L374 VanDerWaalsContact O-N 3.16Å
359L88.2Confident90.8Very high2 Ų224.4 Ų24.41%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-114.3147-172.3-56.8175.4000110.7I109 H354 V371 W372 D373I109-L359 HydrophobicContact CD1-CD1 3.81Å; I109-L359 HydrophobicContact CG1-CD1 3.56Å; H354-L359 HydrophobicContact CB-CB 3.82Å; H354-L359 WeakPolarHBondContact CB-O 3.3Å; H354-L359 PolarHBondContact N-O 2.76Å; L359-V371 HydrophobicContact CB-CG1 4.3Å; L359-V371 HydrophobicContact CD1-CG1 4.04Å; L359-V371 HydrophobicContact CD2-CG1 4.31Å; L359-V371 HydrophobicContact CG-CG1 4.46Å; L359-W372 VanDerWaalsContact CA-O 3.31Å; L359-W372 WeakPolarHBondContact CA-O 3.23Å; L359-D373 HydrophobicContact CD2-CB 4.3Å
360L91.9Very high90.7Very high0 Ų022.7 Ų22.70%011%0.109CC..EExtended strand (participates in β ladder)trans-116.4134.7167.1175.878.7000107.9V319 I327 F329 L341 L351 F353 V371 W372 L374V319-L360 HydrophobicContact CG1-CD2 4.06Å; I327-L360 HydrophobicContact CG2-CD2 3.98Å; F329-L360 HydrophobicContact CE2-CD2 4.02Å; F329-L360 HydrophobicContact CZ-CD2 3.85Å; L341-L360 HydrophobicContact CD1-CD2 4.46Å; L351-L360 HydrophobicContact CB-CD1 4.43Å; L351-L360 HydrophobicContact CD2-CD2 4.2Å; F353-L360 HydrophobicContact CD1-CD1 4.11Å; F353-L360 HydrophobicContact CD2-CD1 4.29Å; F353-L360 HydrophobicContact CE1-CD1 4.21Å; F353-L360 HydrophobicContact CE2-CD1 4.38Å; F353-L360 HydrophobicContact CG-CD1 4.18Å; F353-L360 HydrophobicContact CZ-CD1 4.37Å; L360-V371 CarbonylContact O-C 3.59Å; L360-W372 HydrophobicContact CB-CB 4.3Å; L360-W372 PolarHBondContact N-O 3.29Å; L360-W372 PolarHBondContact O-N 2.94Å; L360-L374 HydrophobicContact CB-CD1 4.41Å; L360-L374 HydrophobicContact CB-CD2 3.81Å; L360-L374 HydrophobicContact CB-CG 4.33Å
361L93.9Very high90.6Very high2 Ų222.3 Ų22.31%0.0111%0.107CC..EExtended strand (participates in β ladder)trans-106.5142.3169.9-6673.2000109.8P110 L351 V352 H354 I369 R370 V371 L393 V395P110-L361 HydrophobicContact CG-CD2 3.66Å; L351-L361 WeakPolarHBondContact CA-O 3.47Å; V352-L361 PolarHBondContact N-O 2.91Å; V352-L361 PolarHBondContact O-N 3.04Å; H354-L361 HydrophobicContact CB-CD1 4.28Å; L361-I369 HydrophobicContact CD2-CG2 4.49Å; L361-R370 CarbonylContact C-O 3.54Å; L361-R370 VanDerWaalsContact CA-O 3.31Å; L361-R370 WeakPolarHBondContact CA-O 3.35Å; L361-V371 HydrophobicContact CD2-CG2 4.41Å; L361-V371 HydrophobicContact CG-CG2 4.08Å; L361-L393 HydrophobicContact CB-CD2 3.53Å; L361-L393 HydrophobicContact CD2-CD2 4.41Å; L361-V395 HydrophobicContact CD1-CG2 4.39Å; L361-V395 HydrophobicContact CD2-CG2 3.86Å
362S96.1Very high90.4Very high0 Ų022.4 Ų22.40%011%0.107CC..EExtended strand (participates in β ladder)trans-132.5141.6177.360.90000111.5H344 Q350 L351 I369 R370 W372H344-S362 PolarHBondContact CD2-OG 3.11Å; H344-S362 PolarHBondContact NE2-OG 3.37Å; Q350-S362 WeakPolarHBondContact O-CA 3.49Å; L351-S362 VanDerWaalsContact CD2-CB 3.46Å; S362-I369 CarbonylContact O-C 3.5Å; S362-I369 VanDerWaalsContact O-CA 3.25Å; S362-I369 WeakPolarHBondContact O-CA 3.4Å; S362-R370 PolarHBondContact N-O 2.81Å; S362-R370 PolarHBondContact O-N 2.82Å; S362-R370 PolarHBondContact OG-O 3.39Å; S362-W372 PolarHBondContact OG-NE1 3.23Å
363A96.2Very high90.2Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-110.2143.8173.200000110.3R349 Q350 V390 L393R349-A363 PolarHBondContact N-O 2.8Å; Q350-A363 HydrophobicContact CB-CB 4.34Å; Q350-A363 PolarHBondContact N-O 2.99Å; Q350-A363 PolarHBondContact O-N 3.01Å; A363-V390 HydrophobicContact CB-CB 3.97Å; A363-V390 HydrophobicContact CB-CG1 3.63Å; A363-L393 HydrophobicContact CB-CB 3.96Å; A363-L393 HydrophobicContact CB-CD2 4.49Å
364S96.7Very high90Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-144.2161.6-174.9177.80000113.8H344 N346 W347 D366 K367 T368 V390H344-S364 WeakPolarHBondContact CE1-CB 3.26Å; H344-S364 WeakPolarHBondContact ND1-CB 3.23Å; N346-S364 PolarHBondContact O-OG 2.99Å; W347-S364 CarbonylContact O-C 3.56Å; W347-S364 WeakPolarHBondContact O-CA 3.45Å; W347-S364 VanDerWaalsContact O-CB 3.27Å; W347-S364 WeakPolarHBondContact O-CB 3.5Å; W347-S364 PolarHBondContact O-OG 3.37Å; S364-D366 WeakPolarHBondContact CB-OD1 3.4Å; S364-D366 PolarHBondContact O-N 2.97Å; S364-D366 PolarHBondContact OG-N 3.36Å; S364-K367 PolarHBondContact O-N 3.04Å; S364-T368 PolarHBondContact N-O 2.91Å; S364-V390 PolarHBondContact O-N 2.97Å; S364-V390 VanDerWaalsContact O-N 3.09Å
365D95.5Very high89.8Confident6 Ų627 Ų273%0.03213%0.126CC..THydrogen-bonded Turntrans-67.1-4.4169.8-72.29.6000113.1N346 W347 R349 K367 F389N346-D365 HydrophobicContact CB-CB 3.91Å; W347-D365 HydrophobicContact CB-CB 4.35Å; W347-D365 PolarHBondContact O-N 2.81Å; R349-D365 WeakPolarHBondContact CG-OD1 3.4Å; R349-D365 IonicContact CZ-OD1 2.7Å; R349-D365 IonicContact CZ-OD2 3.88Å; R349-D365 VanDerWaalsContact NE-CG 3.32Å; R349-D365 IonicContact NE-OD1 3.1Å; R349-D365 PolarHBondContact NE-OD1 2.99Å; R349-D365 IonicContact NE-OD2 2.67Å; R349-D365 PolarHBondContact NE-OD2 2.79Å; R349-D365 IonicContact NH2-OD1 3.37Å; R349-D365 IonicContact NH2-OD2 2.79Å; R349-D365 PolarHBondContact NH2-OD2 2.79Å; D365-K367 PolarHBondContact O-N 3.41Å; D365-F389 HydrophobicContact CB-CB 4.16Å; D365-F389 HydrophobicContact CB-CD1 4.02Å; D365-F389 HydrophobicContact CB-CD2 4.16Å; D365-F389 HydrophobicContact CB-CE1 4.5Å; D365-F389 HydrophobicContact CB-CG 3.84Å; D365-F389 WeakPolarHBondContact O-CD1 3.46Å; D365-F389 VanDerWaalsContact O-CE1 3.3Å; D365-F389 WeakPolarHBondContact O-CE1 3.24Å
366D94.2Very high90Very high25 Ų2529 Ų2913%0.13413%0.134CC..THydrogen-bonded Turntrans-77.96.7168.6715.5000113.2H344 D345 N346 S364 T368 R370H344-D366 WeakPolarHBondContact CA-OD2 3.35Å; H344-D366 IonicContact CE1-OD1 3.41Å; H344-D366 IonicContact CE1-OD2 3.93Å; H344-D366 IonicContact CG-OD2 3.37Å; H344-D366 IonicContact ND1-OD1 3.87Å; H344-D366 PolarHBondContact ND1-OD1 3.19Å; H344-D366 IonicContact ND1-OD2 3.33Å; H344-D366 PolarHBondContact ND1-OD2 3.35Å; D345-D366 HydrophobicContact CB-CB 4.03Å; D345-D366 PolarHBondContact N-OD2 3.36Å; D345-D366 VanDerWaalsContact N-OD2 3.14Å; N346-D366 HydrophobicContact CB-CB 4.08Å; S364-D366 WeakPolarHBondContact CB-OD1 3.4Å; S364-D366 PolarHBondContact O-N 2.97Å; S364-D366 PolarHBondContact OG-N 3.36Å; D366-T368 PolarHBondContact O-N 3.22Å; D366-T368 WeakPolarHBondContact OD1-CA 3.37Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.46Å; D366-T368 PolarHBondContact OD1-N 3.4Å; D366-T368 PolarHBondContact OD1-OG1 3.18Å; D366-T368 PolarHBondContact OD2-OG1 3.41Å; D366-R370 IonicContact OD2-CZ 3.7Å; D366-R370 IonicContact OD2-NE 3.85Å; D366-R370 IonicContact OD2-NH2 3.61Å; D366-R370 PolarHBondContact OD2-NH2 3.33Å
367K94.7Very high90.7Very high91 Ų9130.1 Ų30.140%0.39613%0.134SC..SBendtrans71.66.9-179.2-41.1176178.8-165.50113.9S364 D365 A385 S387 H388 F389S364-K367 PolarHBondContact O-N 3.04Å; D365-K367 PolarHBondContact O-N 3.41Å; K367-A385 PolarHBondContact O-N 3.21Å; K367-A385 VanDerWaalsContact O-N 3.11Å; K367-S387 WeakPolarHBondContact CD-O 3.43Å; K367-S387 WeakPolarHBondContact CE-O 3.49Å; K367-S387 PolarHBondContact NZ-O 3.04Å; K367-H388 WeakPolarHBondContact CB-O 3.29Å; K367-F389 HydrophobicContact CG-CD1 4.46Å
368T95.3Very high91.3Very high9 Ų938.7 Ų38.76%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-107.8151.9-176.477.20000112.5H344 S364 D366 T382 L383H344-T368 PolarHBondContact CE1-OG1 2.86Å; S364-T368 PolarHBondContact N-O 2.91Å; D366-T368 PolarHBondContact O-N 3.22Å; D366-T368 WeakPolarHBondContact OD1-CA 3.37Å; D366-T368 VanDerWaalsContact OD1-CB 3.29Å; D366-T368 WeakPolarHBondContact OD1-CB 3.46Å; D366-T368 PolarHBondContact OD1-N 3.4Å; D366-T368 PolarHBondContact OD1-OG1 3.18Å; D366-T368 PolarHBondContact OD2-OG1 3.41Å; T368-T382 HydrophobicContact CG2-CG2 3.91Å; T368-L383 CarbonylContact C-O 3.55Å; T368-L383 WeakPolarHBondContact CA-O 3.43Å; T368-L383 WeakPolarHBondContact CB-O 3.36Å
369I94.7Very high91.7Very high1 Ų136.6 Ų36.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-101.2133.1157.3-57.1157.6000106.7L361 S362 L383 A385 L393 T404 W414L361-I369 HydrophobicContact CD2-CG2 4.49Å; S362-I369 CarbonylContact O-C 3.5Å; S362-I369 VanDerWaalsContact O-CA 3.25Å; S362-I369 WeakPolarHBondContact O-CA 3.4Å; I369-L383 HydrophobicContact CB-CB 4.47Å; I369-L383 HydrophobicContact CD1-CD2 4.09Å; I369-L383 PolarHBondContact N-O 2.77Å; I369-L383 PolarHBondContact O-N 3.23Å; I369-A385 HydrophobicContact CD1-CB 3.47Å; I369-A385 VanDerWaalsContact CD1-CB 3.47Å; I369-A385 HydrophobicContact CG1-CB 3.66Å; I369-L393 HydrophobicContact CG2-CD2 4.14Å; I369-T404 HydrophobicContact CD1-CG2 3.2Å; I369-T404 HydrophobicContact CG1-CG2 3.84Å; I369-W414 HydrophobicContact CD1-CZ2 4.4Å
370R94.4Very high91.8Very high27 Ų2741.2 Ų41.210%0.10218%0.184CC..EExtended strand (participates in β ladder)trans-115.2136.7173-67.7-176.9-171.8-144.913.3110.3G343 H344 D345 L361 S362 D366 W372 K381 T382G343-R370 PolarHBondContact O-NH1 3.26Å; G343-R370 PolarHBondContact O-NH2 2.66Å; H344-R370 VanDerWaalsContact CE1-CD 3.48Å; H344-R370 WeakPolarHBondContact CE1-CD 3.43Å; H344-R370 VanDerWaalsContact CE1-CG 3.46Å; H344-R370 WeakPolarHBondContact CE1-CG 3.26Å; H344-R370 PolarHBondContact ND1-NE 2.95Å; D345-R370 IonicContact OD2-NH2 2.78Å; D345-R370 PolarHBondContact OD2-NH2 3.28Å; D345-R370 VanDerWaalsContact OD2-NH2 3.16Å; L361-R370 CarbonylContact C-O 3.54Å; L361-R370 VanDerWaalsContact CA-O 3.31Å; L361-R370 WeakPolarHBondContact CA-O 3.35Å; S362-R370 PolarHBondContact N-O 2.81Å; S362-R370 PolarHBondContact O-N 2.82Å; S362-R370 PolarHBondContact OG-O 3.39Å; D366-R370 IonicContact OD2-CZ 3.7Å; D366-R370 IonicContact OD2-NE 3.85Å; D366-R370 IonicContact OD2-NH2 3.61Å; D366-R370 PolarHBondContact OD2-NH2 3.33Å; R370-W372 HydrophobicContact CB-CZ2 3.98Å; R370-K381 WeakPolarHBondContact CA-O 3.46Å; R370-T382 HydrophobicContact CG-CG2 4.04Å
371V93.6Very high91.7Very high3 Ų346.1 Ų46.12%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-105.1123.7174.8-178.40000106.3I109 L359 L360 L361 H380 K381I109-V371 HydrophobicContact CD1-CG1 4.49Å; I109-V371 HydrophobicContact CG1-CG1 4.32Å; I109-V371 HydrophobicContact CG2-CB 4.35Å; I109-V371 HydrophobicContact CG2-CG1 4.16Å; I109-V371 HydrophobicContact CG2-CG2 3.66Å; L359-V371 HydrophobicContact CB-CG1 4.3Å; L359-V371 HydrophobicContact CD1-CG1 4.04Å; L359-V371 HydrophobicContact CD2-CG1 4.31Å; L359-V371 HydrophobicContact CG-CG1 4.46Å; L360-V371 CarbonylContact O-C 3.59Å; L361-V371 HydrophobicContact CD2-CG2 4.41Å; L361-V371 HydrophobicContact CG-CG2 4.08Å; V371-H380 WeakPolarHBondContact O-CB 3.47Å; V371-H380 PolarHBondContact O-N 3.16Å; V371-K381 HydrophobicContact CB-CB 4.17Å; V371-K381 HydrophobicContact CG2-CB 4.35Å; V371-K381 PolarHBondContact N-O 2.95Å; V371-K381 PolarHBondContact O-N 3.19Å
372W92Very high91.7Very high4 Ų448.9 Ų48.92%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-110.8129.2-176-55.587.9000109.7I327 L341 L359 L360 S362 R370 C379I327-W372 HydrophobicContact CD1-CZ2 4.02Å; L341-W372 HydrophobicContact CB-CD2 4.38Å; L341-W372 HydrophobicContact CB-CE3 3.89Å; L341-W372 HydrophobicContact CB-CH2 4.28Å; L341-W372 HydrophobicContact CB-CZ3 3.83Å; L341-W372 HydrophobicContact CD1-CB 3.95Å; L341-W372 HydrophobicContact CD1-CD2 3.86Å; L341-W372 HydrophobicContact CD1-CE3 3.86Å; L341-W372 HydrophobicContact CD1-CG 3.9Å; L341-W372 HydrophobicContact CD2-CE3 4.3Å; L341-W372 HydrophobicContact CG-CE3 4.25Å; L359-W372 VanDerWaalsContact CA-O 3.31Å; L359-W372 WeakPolarHBondContact CA-O 3.23Å; L360-W372 HydrophobicContact CB-CB 4.3Å; L360-W372 PolarHBondContact N-O 3.29Å; L360-W372 PolarHBondContact O-N 2.94Å; S362-W372 PolarHBondContact OG-NE1 3.23Å; R370-W372 HydrophobicContact CB-CZ2 3.98Å; W372-C379 HydrophobicContact CD2-CB 4.42Å; W372-C379 HydrophobicContact CE3-CB 3.82Å; W372-C379 HydrophobicContact CH2-CB 4.19Å; W372-C379 HydrophobicContact CZ3-CB 3.69Å
373D89.3Confident91.5Very high7 Ų749.2 Ų49.24%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-84.8112.3169.8-176.8-3.8000108.7R358 L359 K375 N376 R377 R378 H380R358-D373 IonicContact NE-OD1 3.9Å; R358-D373 IonicContact NH2-OD2 3.7Å; L359-D373 HydrophobicContact CD2-CB 4.3Å; D373-K375 VanDerWaalsContact C-N 3.3Å; D373-K375 PolarHBondContact O-N 2.76Å; D373-K375 WeakPolarHBondContact OD1-CB 3.31Å; D373-K375 PolarHBondContact OD1-N 3.48Å; D373-K375 VanDerWaalsContact OD1-N 3.09Å; D373-N376 HydrophobicContact CB-CB 4.49Å; D373-N376 PolarHBondContact O-N 2.78Å; D373-N376 PolarHBondContact OD2-ND2 3.32Å; D373-R377 WeakPolarHBondContact O-CA 3.47Å; D373-R377 PolarHBondContact O-N 2.94Å; D373-R378 PolarHBondContact N-O 3.46Å; D373-R378 PolarHBondContact O-N 2.86Å; D373-H380 HydrophobicContact CB-CB 4.23Å
374L85.4Confident91.4Very high1 Ų155.7 Ų55.71%0.00526%0.259CS..THydrogen-bonded Turntrans-72.1-26.5-175.4-58.9-178.3000112.7L305 F329 F353 R358 L360L305-L374 HydrophobicContact CD2-CB 3.69Å; L305-L374 HydrophobicContact CD2-CD1 4.19Å; F329-L374 HydrophobicContact CE1-CD1 4.47Å; F329-L374 HydrophobicContact CE1-CD2 3.98Å; F329-L374 HydrophobicContact CE2-CD2 4.16Å; F329-L374 HydrophobicContact CZ-CD2 3.37Å; F353-L374 HydrophobicContact CD1-CD1 4.19Å; F353-L374 HydrophobicContact CE1-CD1 3.84Å; R358-L374 WeakPolarHBondContact O-CB 3.32Å; R358-L374 WeakPolarHBondContact O-CG 3.41Å; R358-L374 PolarHBondContact O-N 3.39Å; R358-L374 VanDerWaalsContact O-N 3.16Å; L360-L374 HydrophobicContact CB-CD1 4.41Å; L360-L374 HydrophobicContact CB-CD2 3.81Å; L360-L374 HydrophobicContact CB-CG 4.33Å
375K83.5Confident91Very high143 Ų14356 Ų5662%0.62226%0.261SS*.THydrogen-bonded Turntrans-67.6-44.7177.1-176.2178.7-179.9177.80111D373D373-K375 VanDerWaalsContact C-N 3.3Å; D373-K375 PolarHBondContact O-N 2.76Å; D373-K375 WeakPolarHBondContact OD1-CB 3.31Å; D373-K375 PolarHBondContact OD1-N 3.48Å; D373-K375 VanDerWaalsContact OD1-N 3.09Å
376N83.8Confident91Very high95 Ų9556.4 Ų56.451%0.50826%0.263SS..THydrogen-bonded Turntrans-94.8-8.3-175.5-65.9-38000113.4D373 R378D373-N376 HydrophobicContact CB-CB 4.49Å; D373-N376 PolarHBondContact O-N 2.78Å; D373-N376 PolarHBondContact OD2-ND2 3.32Å; N376-R378 WeakPolarHBondContact O-CG 3.32Å; N376-R378 PolarHBondContact O-N 3.48Å
377R87.3Confident90.9Very high120 Ų12059.3 Ų59.345%0.45329%0.285SS..THydrogen-bonded Turntrans54.239.7-177.9-52.6-179.5-173-165.7-0.8112.8F339 L341 D373F339-R377 HydrophobicContact CD2-CG 4.27Å; F339-R377 HydrophobicContact CE2-CG 4.24Å; L341-R377 HydrophobicContact CD2-CB 4.08Å; D373-R377 WeakPolarHBondContact O-CA 3.47Å; D373-R377 PolarHBondContact O-N 2.94Å
378R89Confident90.9Very high187 Ų18758.2 Ų58.271%0.70628%0.281SS*.EExtended strand (participates in β ladder)trans-129.6152.6-177.9-72.8177.3-177.2-172.20.3110.5D373 N376 H380D373-R378 PolarHBondContact N-O 3.46Å; D373-R378 PolarHBondContact O-N 2.86Å; N376-R378 WeakPolarHBondContact O-CG 3.32Å; N376-R378 PolarHBondContact O-N 3.48Å; R378-H380 PolarHBondContact O-N 3.09Å
379C91Very high90.9Very high46 Ų4660.9 Ų60.931%0.31129%0.292SS..EExtended strand (participates in β ladder)trans-67.1116.8166.8-173.10000108.1W372W372-C379 HydrophobicContact CD2-CB 4.42Å; W372-C379 HydrophobicContact CE3-CB 3.82Å; W372-C379 HydrophobicContact CH2-CB 4.19Å; W372-C379 HydrophobicContact CZ3-CB 3.69Å
380H88.8Confident90.9Very high98 Ų9860.9 Ų60.945%0.45429%0.292SS..EExtended strand (participates in β ladder)trans-81-42.1178.9-178.477.6000111.1V371 D373 R378V371-H380 WeakPolarHBondContact O-CB 3.47Å; V371-H380 PolarHBondContact O-N 3.16Å; D373-H380 HydrophobicContact CB-CB 4.23Å; R378-H380 PolarHBondContact O-N 3.09Å
381K91Very high91Very high104 Ų10460.9 Ų60.945%0.45230%0.295SS..EExtended strand (participates in β ladder)trans-148.5139.9-179.6-170.769.8176.3-173.80110.8R370 V371R370-K381 WeakPolarHBondContact CA-O 3.46Å; V371-K381 HydrophobicContact CB-CB 4.17Å; V371-K381 HydrophobicContact CG2-CB 4.35Å; V371-K381 PolarHBondContact N-O 2.95Å; V371-K381 PolarHBondContact O-N 3.19Å
382T93Very high91Very high60 Ų6060.8 Ų60.837%0.36829%0.294SS..EExtended strand (participates in β ladder)trans-111.1131.4166.6-55.30000108.3T368 R370T368-T382 HydrophobicContact CG2-CG2 3.91Å; R370-T382 HydrophobicContact CG-CG2 4.04Å
383L92.5Very high91.2Very high7 Ų760.6 Ų60.64%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-121.3123.8179.1-173.7150.1000108.4P110 T368 I369 A385 W414P110-L383 HydrophobicContact CB-CD1 4.2Å; P110-L383 WeakPolarHBondContact O-CD1 3.4Å; T368-L383 CarbonylContact C-O 3.55Å; T368-L383 WeakPolarHBondContact CA-O 3.43Å; T368-L383 WeakPolarHBondContact CB-O 3.36Å; I369-L383 HydrophobicContact CB-CB 4.47Å; I369-L383 HydrophobicContact CD1-CD2 4.09Å; I369-L383 PolarHBondContact N-O 2.77Å; I369-L383 PolarHBondContact O-N 3.23Å; L383-A385 VanDerWaalsContact CD2-CA 3.5Å; L383-A385 HydrophobicContact CD2-CB 3.72Å; L383-A385 PolarHBondContact O-N 3.49Å; L383-W414 HydrophobicContact CD1-CD2 4.46Å; L383-W414 HydrophobicContact CD1-CE3 3.86Å; L383-W414 HydrophobicContact CD1-CH2 4.48Å; L383-W414 HydrophobicContact CD1-CZ3 3.87Å; L383-W414 HydrophobicContact CD2-CD2 4.41Å; L383-W414 HydrophobicContact CD2-CE3 4.12Å; L383-W414 HydrophobicContact CD2-CH2 3.32Å; L383-W414 HydrophobicContact CD2-CZ2 3.65Å; L383-W414 HydrophobicContact CD2-CZ3 3.56Å; L383-W414 HydrophobicContact CG-CH2 4.41Å; L383-W414 HydrophobicContact CG-CZ3 4.22Å
384N93Very high91.5Very high135 Ų13561.5 Ų61.572%0.72230%0.299SS*.EExtended strand (participates in β ladder)trans-77103170.4-68.1-17.4000107.6
385A90.1Very high91.8Very high6 Ų661.9 Ų61.95%0.0530%0.301CS..  trans-89.3-45.4-16700000112.1K367 I369 L383 V390 H412 W414K367-A385 PolarHBondContact O-N 3.21Å; K367-A385 VanDerWaalsContact O-N 3.11Å; I369-A385 HydrophobicContact CD1-CB 3.47Å; I369-A385 VanDerWaalsContact CD1-CB 3.47Å; I369-A385 HydrophobicContact CG1-CB 3.66Å; L383-A385 VanDerWaalsContact CD2-CA 3.5Å; L383-A385 HydrophobicContact CD2-CB 3.72Å; L383-A385 PolarHBondContact O-N 3.49Å; A385-V390 HydrophobicContact CB-CG2 3.98Å; A385-H412 PolarHBondContact O-CD2 3Å; A385-H412 PolarHBondContact O-NE2 3.34Å; A385-W414 HydrophobicContact CB-CH2 4.37Å; A385-W414 HydrophobicContact CB-CZ2 3.76Å
386H93.6Very high92.1Very high16 Ų1655.7 Ų55.77%0.07428%0.275CS..  trans-136.2167.3-170.9-73.9-89.7000111.6H388 V390 T404 S406 D408 T410 H412H386-H388 WeakPolarHBondContact CB-O 3.36Å; H386-V390 HydrophobicContact CB-CG2 4.37Å; H386-T404 WeakPolarHBondContact NE2-CB 3.36Å; H386-T404 PolarHBondContact NE2-O 3.23Å; H386-T404 PolarHBondContact NE2-OG1 3.41Å; H386-S406 WeakPolarHBondContact CB-OG 3.38Å; H386-S406 VanDerWaalsContact ND1-CB 3.28Å; H386-S406 WeakPolarHBondContact ND1-CB 3.37Å; H386-D408 IonicContact CG-OD2 3.61Å; H386-D408 IonicContact ND1-OD1 3.65Å; H386-D408 PolarHBondContact ND1-OD1 3.12Å; H386-D408 IonicContact ND1-OD2 2.78Å; H386-T410 PolarHBondContact CE1-O 3.48Å; H386-T410 PolarHBondContact CE1-OG1 2.98Å; H386-T410 PolarHBondContact ND1-OG1 3.25Å; H386-H412 AromaticContact CE1-CD2 3.77Å; H386-H412 AromaticContact CE1-CE1 3.87Å; H386-H412 AromaticContact CE1-CG 3.5Å; H386-H412 AromaticContact CE1-ND1 3.61Å; H386-H412 AromaticContact ND1-CD2 3.93Å; H386-H412 AromaticContact ND1-CE1 3.85Å; H386-H412 AromaticContact ND1-NE2 3.81Å; H386-H412 AromaticContact NE2-CG 3.94Å
387S92.6Very high92.1Very high85 Ų8561.4 Ų61.459%0.59429%0.289SS*.SBendtrans-75.1-19.5175.467.90000112.4K367 D408K367-S387 WeakPolarHBondContact CD-O 3.43Å; K367-S387 WeakPolarHBondContact CE-O 3.49Å; K367-S387 PolarHBondContact NZ-O 3.04Å; S387-D408 PolarHBondContact N-OD2 2.89Å; S387-D408 VanDerWaalsContact N-OD2 3.08Å; S387-D408 VanDerWaalsContact OG-CB 3.31Å; S387-D408 WeakPolarHBondContact OG-CB 3.33Å; S387-D408 PolarHBondContact OG-OD2 2.96Å
388H94.3Very high91.9Very high69 Ų6962.4 Ų62.432%0.31930%0.303SS..SBendtrans-132.2-176.6178.5-149.2-83.3000111.4K367 H386 S406 V407 D408K367-H388 WeakPolarHBondContact CB-O 3.29Å; H386-H388 WeakPolarHBondContact CB-O 3.36Å; H388-S406 PolarHBondContact O-OG 3.36Å; H388-V407 HydrophobicContact CB-CB 4.34Å; H388-V407 WeakPolarHBondContact ND1-CB 3.37Å; H388-D408 HydrophobicContact CB-CB 3.95Å
389F95.3Very high91.7Very high65 Ų6554.6 Ų54.629%0.28528%0.278SS..  trans-52.4135.3-177.7-53.5-15.9000112.3D365 K367 S406 V407D365-F389 HydrophobicContact CB-CB 4.16Å; D365-F389 HydrophobicContact CB-CD1 4.02Å; D365-F389 HydrophobicContact CB-CD2 4.16Å; D365-F389 HydrophobicContact CB-CE1 4.5Å; D365-F389 HydrophobicContact CB-CG 3.84Å; D365-F389 WeakPolarHBondContact O-CD1 3.46Å; D365-F389 VanDerWaalsContact O-CE1 3.3Å; D365-F389 WeakPolarHBondContact O-CE1 3.24Å; K367-F389 HydrophobicContact CG-CD1 4.46Å; F389-S406 WeakPolarHBondContact O-CA 3.46Å; F389-S406 WeakPolarHBondContact O-CB 3.43Å; F389-S406 PolarHBondContact O-OG 3.41Å; F389-V407 HydrophobicContact CB-CG2 3.93Å; F389-V407 HydrophobicContact CD2-CG2 4.5Å; F389-V407 PolarHBondContact O-N 2.84Å; F389-V407 VanDerWaalsContact O-N 3.17Å
390V96.2Very high91.5Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-90.5112.2177-168.20000108.1A363 S364 A385 H386 T404A363-V390 HydrophobicContact CB-CB 3.97Å; A363-V390 HydrophobicContact CB-CG1 3.63Å; S364-V390 PolarHBondContact O-N 2.97Å; S364-V390 VanDerWaalsContact O-N 3.09Å; A385-V390 HydrophobicContact CB-CG2 3.98Å; H386-V390 HydrophobicContact CB-CG2 4.37Å; V390-T404 HydrophobicContact CG1-CG2 4.15Å
391T95.4Very high91.7Very high28 Ų2850.1 Ų50.117%0.17226%0.255CS..EExtended strand (participates in β ladder)trans-86.5-32.9-174.651.30000112I125 G405 V407I125-T391 VanDerWaalsContact O-CB 3.29Å; I125-T391 WeakPolarHBondContact O-CB 3.47Å; I125-T391 WeakPolarHBondContact O-CG2 3.03Å; I125-T391 PolarHBondContact O-OG1 3.45Å; T391-G405 PolarHBondContact N-O 3.31Å; T391-G405 PolarHBondContact OG1-O 3.41Å; T391-G405 VanDerWaalsContact OG1-O 3.1Å; T391-V407 HydrophobicContact CG2-CG2 3.55Å
392S95Very high91.8Very high0 Ų045.1 Ų45.10%023%0.234CC..EExtended strand (participates in β ladder)trans-148.3151.1-170.356.50000112V128 T404 G405V128-S392 PolarHBondContact N-OG 2.82Å; S392-T404 WeakPolarHBondContact O-CA 3.34Å; S392-G405 PolarHBondContact N-O 2.85Å; S392-G405 PolarHBondContact O-N 2.82Å
393L95.4Very high91.9Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-150.3138.4-176.4169.769.8000107.8Q350 V352 L361 A363 I369 I403 T404Q350-L393 HydrophobicContact CG-CB 4.18Å; Q350-L393 WeakPolarHBondContact CG-O 3.47Å; V352-L393 HydrophobicContact CG2-CD2 4.49Å; V352-L393 HydrophobicContact CG2-CG 4.23Å; V352-L393 WeakPolarHBondContact CG2-O 3.35Å; L361-L393 HydrophobicContact CB-CD2 3.53Å; L361-L393 HydrophobicContact CD2-CD2 4.41Å; A363-L393 HydrophobicContact CB-CB 3.96Å; A363-L393 HydrophobicContact CB-CD2 4.49Å; I369-L393 HydrophobicContact CG2-CD2 4.14Å; L393-I403 WeakPolarHBondContact CA-O 3.46Å; L393-T404 HydrophobicContact CB-CG2 4.17Å; L393-T404 HydrophobicContact CD1-CG2 3.41Å; L393-T404 VanDerWaalsContact CD1-CG2 3.41Å; L393-T404 HydrophobicContact CG-CG2 4.36Å
394D94.9Very high92.1Very high26 Ų2642 Ų4214%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-143.4153.4167.7-164.324.9000111.1L129 F130 A402 I403L129-D394 WeakPolarHBondContact CA-OD2 3.23Å; F130-D394 HydrophobicContact CD2-CB 4.17Å; F130-D394 PolarHBondContact N-OD2 3.29Å; D394-A402 WeakPolarHBondContact O-CA 3.37Å; D394-I403 HydrophobicContact CB-CD1 4.16Å; D394-I403 HydrophobicContact CB-CG1 3.87Å; D394-I403 PolarHBondContact N-O 2.91Å; D394-I403 PolarHBondContact O-N 3.34Å
395V92.4Very high92.2Very high10 Ų1035.5 Ų35.56%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-125.8127.1-179.4-178.10000108.2V352 P355 L361 A402V352-V395 HydrophobicContact CB-CG2 4.49Å; V352-V395 HydrophobicContact CG1-CB 4.05Å; V352-V395 HydrophobicContact CG1-CG2 3.92Å; P355-V395 HydrophobicContact CG-CG1 4.49Å; L361-V395 HydrophobicContact CD1-CG2 4.39Å; L361-V395 HydrophobicContact CD2-CG2 3.86Å; V395-A402 HydrophobicContact CG2-CB 4.15Å
396N89.8Confident92.6Very high13 Ų1335.2 Ų35.27%0.0718%0.178CC..  trans-68.9135.7179.4-172.2-30.6000109.6F130 Y151 L398 A399 Y401F130-N396 HydrophobicContact CD1-CB 4.17Å; F130-N396 HydrophobicContact CD2-CB 3.75Å; F130-N396 HydrophobicContact CE1-CB 4.13Å; F130-N396 HydrophobicContact CE2-CB 3.68Å; F130-N396 VanDerWaalsContact CE2-N 3.32Å; F130-N396 HydrophobicContact CG-CB 3.97Å; F130-N396 HydrophobicContact CZ-CB 3.86Å; Y151-N396 PolarHBondContact OH-ND2 2.58Å; N396-L398 PolarHBondContact OD1-N 3.3Å; N396-A399 HydrophobicContact CB-CB 4.49Å; N396-A399 WeakPolarHBondContact CB-O 3.24Å; N396-A399 PolarHBondContact OD1-N 2.9Å; N396-A399 VanDerWaalsContact OD1-N 3.16Å; N396-Y401 WeakPolarHBondContact CB-O 3.49Å; N396-Y401 PolarHBondContact N-O 3.42Å
397R83.5Confident92.7Very high214 Ų21436.5 Ų36.581%0.80819%0.187SC*.SBendtrans-79.5-22.9-178.3-62.9-176.2-175.9179.11.9113.8P355P355-R397 HydrophobicContact CG-CB 4.4Å; P355-R397 HydrophobicContact CG-CG 4.41Å
398L82.7Confident92.8Very high141 Ų14134.1 Ų34.174%0.73817%0.167SC*.SBendtrans-110.4-30.8-173.2-57.4178000112.5N396N396-L398 PolarHBondContact OD1-N 3.3Å
399A84.7Confident92.8Very high23 Ų2334.7 Ų34.719%0.1917%0.17CC..SBendtrans-116.8150.3-178.700000111N396 Y401N396-A399 HydrophobicContact CB-CB 4.49Å; N396-A399 WeakPolarHBondContact CB-O 3.24Å; N396-A399 PolarHBondContact OD1-N 2.9Å; N396-A399 VanDerWaalsContact OD1-N 3.16Å; A399-Y401 HydrophobicContact CB-CD2 3.73Å; A399-Y401 HydrophobicContact CB-CE2 4.2Å; A399-Y401 PolarHBondContact O-N 3.24Å
400P88.1Confident92.8Very high33 Ų3332.6 Ų32.621%0.21416%0.162CC..SBendtrans-79.660.6-179.933.8-35.3000110.9A108 C416 R417A108-P400 HydrophobicContact CB-CB 4.36Å; P400-C416 HydrophobicContact CB-CB 3.99Å; P400-C416 VanDerWaalsContact O-CB 3.3Å; P400-C416 WeakPolarHBondContact O-CB 3.45Å; P400-C416 PolarHBondContact O-N 3.28Å; P400-R417 HydrophobicContact CB-CG 3.78Å; P400-R417 HydrophobicContact CG-CG 3.42Å; P400-R417 VanDerWaalsContact CG-CG 3.42Å; P400-R417 VanDerWaalsContact CG-NE 3.32Å
401Y91.7Very high92.8Very high17 Ų1732.6 Ų32.67%0.06716%0.163CC..EExtended strand (participates in β ladder)trans-127.9143.2175.7-64.2-66.4000111K115 Y151 N396 A399 I413 W414K115-Y401 HydrophobicContact CD-CE1 3.94Å; K115-Y401 PolarHBondContact NZ-OH 2.71Å; Y151-Y401 AromaticContact CD2-CD2 3.65Å; Y151-Y401 HydrophobicContact CD2-CD2 3.65Å; Y151-Y401 AromaticContact CD2-CE2 3.94Å; Y151-Y401 HydrophobicContact CD2-CE2 3.94Å; Y151-Y401 HydrophobicContact CD2-CG 4.27Å; Y151-Y401 AromaticContact CE2-CD2 3.58Å; Y151-Y401 HydrophobicContact CE2-CD2 3.58Å; Y151-Y401 AromaticContact CE2-CE2 3.83Å; Y151-Y401 HydrophobicContact CE2-CE2 3.83Å; N396-Y401 WeakPolarHBondContact CB-O 3.49Å; N396-Y401 PolarHBondContact N-O 3.42Å; A399-Y401 HydrophobicContact CB-CD2 3.73Å; A399-Y401 HydrophobicContact CB-CE2 4.2Å; A399-Y401 PolarHBondContact O-N 3.24Å; Y401-I413 HydrophobicContact CD1-CG2 4.26Å; Y401-W414 WeakPolarHBondContact CA-O 3.35Å
402A93.6Very high92.8Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-121.9151.4165.700000109.8P110 D394 V395 W414P110-A402 HydrophobicContact CG-CB 3.71Å; D394-A402 WeakPolarHBondContact O-CA 3.37Å; V395-A402 HydrophobicContact CG2-CB 4.15Å; A402-W414 HydrophobicContact CB-CB 4.27Å; A402-W414 PolarHBondContact N-O 3.43Å; A402-W414 PolarHBondContact O-N 2.82Å
403I95.2Very high92.8Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-125.2140.5177.253-177.7000110.1V128 F130 F137 L393 D394 H412 I413V128-I403 HydrophobicContact CB-CD1 3.88Å; V128-I403 HydrophobicContact CB-CG1 4.14Å; V128-I403 HydrophobicContact CG2-CB 4.34Å; V128-I403 HydrophobicContact CG2-CD1 4.05Å; V128-I403 HydrophobicContact CG2-CG1 3.77Å; F130-I403 HydrophobicContact CD1-CD1 4.22Å; F130-I403 HydrophobicContact CD2-CD1 3.75Å; F130-I403 HydrophobicContact CD2-CG1 3.92Å; F130-I403 HydrophobicContact CE1-CD1 4.23Å; F130-I403 HydrophobicContact CE1-CG2 3.95Å; F130-I403 HydrophobicContact CE2-CB 4.21Å; F130-I403 HydrophobicContact CE2-CD1 3.78Å; F130-I403 HydrophobicContact CE2-CG1 3.52Å; F130-I403 HydrophobicContact CE2-CG2 4Å; F130-I403 HydrophobicContact CG-CD1 4Å; F130-I403 HydrophobicContact CZ-CB 4.17Å; F130-I403 HydrophobicContact CZ-CD1 4.04Å; F130-I403 HydrophobicContact CZ-CG1 3.92Å; F130-I403 HydrophobicContact CZ-CG2 3.46Å; F130-I403 VanDerWaalsContact CZ-CG2 3.46Å; F137-I403 HydrophobicContact CB-CD1 3.73Å; F137-I403 HydrophobicContact CD1-CG2 4.48Å; F137-I403 HydrophobicContact CD2-CD1 3.66Å; F137-I403 HydrophobicContact CE2-CD1 4.49Å; F137-I403 HydrophobicContact CG-CD1 3.8Å; F137-I403 HydrophobicContact CG-CG2 4.45Å; L393-I403 WeakPolarHBondContact CA-O 3.46Å; D394-I403 HydrophobicContact CB-CD1 4.16Å; D394-I403 HydrophobicContact CB-CG1 3.87Å; D394-I403 PolarHBondContact N-O 2.91Å; D394-I403 PolarHBondContact O-N 3.34Å; I403-H412 WeakPolarHBondContact CA-O 3.41Å; I403-I413 HydrophobicContact CG2-CG1 4.1Å; I403-I413 HydrophobicContact CG2-CG2 4.5Å
404T96.5Very high92.7Very high0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-129.6141.5171.852.40000112.5I369 H386 V390 S392 L393 I411 H412 W414I369-T404 HydrophobicContact CD1-CG2 3.2Å; I369-T404 HydrophobicContact CG1-CG2 3.84Å; H386-T404 WeakPolarHBondContact NE2-CB 3.36Å; H386-T404 PolarHBondContact NE2-O 3.23Å; H386-T404 PolarHBondContact NE2-OG1 3.41Å; V390-T404 HydrophobicContact CG1-CG2 4.15Å; S392-T404 WeakPolarHBondContact O-CA 3.34Å; L393-T404 HydrophobicContact CB-CG2 4.17Å; L393-T404 HydrophobicContact CD1-CG2 3.41Å; L393-T404 VanDerWaalsContact CD1-CG2 3.41Å; L393-T404 HydrophobicContact CG-CG2 4.36Å; T404-I411 CarbonylContact O-C 3.51Å; T404-I411 VanDerWaalsContact O-CA 3.24Å; T404-I411 WeakPolarHBondContact O-CA 3.47Å; T404-I411 WeakPolarHBondContact O-CG2 3.33Å; T404-H412 PolarHBondContact N-O 2.79Å; T404-H412 PolarHBondContact O-N 3.43Å; T404-W414 PolarHBondContact OG1-NE1 3.36Å
405G96.2Very high92.4Very high0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-111.7146.9169.900000110.5T391 S392T391-G405 PolarHBondContact N-O 3.31Å; T391-G405 PolarHBondContact OG1-O 3.41Å; T391-G405 VanDerWaalsContact OG1-O 3.1Å; S392-G405 PolarHBondContact N-O 2.85Å; S392-G405 PolarHBondContact O-N 2.82Å
406S96.7Very high92Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-134.4164.8179.3177.80000112.5I125 H386 H388 F389 D408 Q409 T410I125-S406 PolarHBondContact N-O 3.03Å; H386-S406 WeakPolarHBondContact CB-OG 3.38Å; H386-S406 VanDerWaalsContact ND1-CB 3.28Å; H386-S406 WeakPolarHBondContact ND1-CB 3.37Å; H388-S406 PolarHBondContact O-OG 3.36Å; F389-S406 WeakPolarHBondContact O-CA 3.46Å; F389-S406 WeakPolarHBondContact O-CB 3.43Å; F389-S406 PolarHBondContact O-OG 3.41Å; S406-D408 VanDerWaalsContact CB-OD1 3.27Å; S406-D408 WeakPolarHBondContact CB-OD1 3.41Å; S406-D408 PolarHBondContact O-N 3.03Å; S406-D408 PolarHBondContact OG-N 2.71Å; S406-D408 PolarHBondContact OG-OD1 3.2Å; S406-Q409 PolarHBondContact O-N 3.13Å; S406-T410 PolarHBondContact N-O 3.26Å
407V95.8Very high91.5Very high43 Ų4341.2 Ų41.226%0.26119%0.192SC..THydrogen-bonded Turntrans-62.9-21.6170.7-178.30000112.1P124 H388 F389 T391 Q409P124-V407 HydrophobicContact CB-CB 4.42Å; P124-V407 HydrophobicContact CB-CG1 4.16Å; P124-V407 HydrophobicContact CG-CG1 3.88Å; H388-V407 HydrophobicContact CB-CB 4.34Å; H388-V407 WeakPolarHBondContact ND1-CB 3.37Å; F389-V407 HydrophobicContact CB-CG2 3.93Å; F389-V407 HydrophobicContact CD2-CG2 4.5Å; F389-V407 PolarHBondContact O-N 2.84Å; F389-V407 VanDerWaalsContact O-N 3.17Å; T391-V407 HydrophobicContact CG2-CG2 3.55Å; V407-Q409 PolarHBondContact O-N 2.95Å
408D94.5Very high91.9Very high34 Ų3432.6 Ų32.618%0.18216%0.162CC..THydrogen-bonded Turntrans-72.49.817568.611.9000114.3H386 S387 H388 S406 T410H386-D408 IonicContact CG-OD2 3.61Å; H386-D408 IonicContact ND1-OD1 3.65Å; H386-D408 PolarHBondContact ND1-OD1 3.12Å; H386-D408 IonicContact ND1-OD2 2.78Å; S387-D408 PolarHBondContact N-OD2 2.89Å; S387-D408 VanDerWaalsContact N-OD2 3.08Å; S387-D408 VanDerWaalsContact OG-CB 3.31Å; S387-D408 WeakPolarHBondContact OG-CB 3.33Å; S387-D408 PolarHBondContact OG-OD2 2.96Å; H388-D408 HydrophobicContact CB-CB 3.95Å; S406-D408 VanDerWaalsContact CB-OD1 3.27Å; S406-D408 WeakPolarHBondContact CB-OD1 3.41Å; S406-D408 PolarHBondContact O-N 3.03Å; S406-D408 PolarHBondContact OG-N 2.71Å; S406-D408 PolarHBondContact OG-OD1 3.2Å; D408-T410 PolarHBondContact O-N 3.14Å; D408-T410 WeakPolarHBondContact OD1-CB 3.5Å; D408-T410 PolarHBondContact OD1-N 3.47Å; D408-T410 VanDerWaalsContact OD1-N 3.11Å; D408-T410 PolarHBondContact OD1-OG1 2.76Å
409Q95Very high92.4Very high81 Ų8126.9 Ų26.938%0.37913%0.131SC..SBendtrans6811.5176.5-40.5-179.61.300113.6R122 S406 V407R122-Q409 PolarHBondContact O-NE2 3.26Å; S406-Q409 PolarHBondContact O-N 3.13Å; V407-Q409 PolarHBondContact O-N 2.95Å
410T96Very high92.8Very high21 Ų2127.1 Ų27.113%0.12913%0.128CC..EExtended strand (participates in β ladder)trans-106.2148.1178.374.40000111.8L118 T119 I125 H386 S406 D408 H412L118-T410 WeakPolarHBondContact O-CA 3.48Å; T119-T410 HydrophobicContact CG2-CG2 4.16Å; I125-T410 WeakPolarHBondContact CD1-O 3.32Å; H386-T410 PolarHBondContact CE1-O 3.48Å; H386-T410 PolarHBondContact CE1-OG1 2.98Å; H386-T410 PolarHBondContact ND1-OG1 3.25Å; S406-T410 PolarHBondContact N-O 3.26Å; D408-T410 PolarHBondContact O-N 3.14Å; D408-T410 WeakPolarHBondContact OD1-CB 3.5Å; D408-T410 PolarHBondContact OD1-N 3.47Å; D408-T410 VanDerWaalsContact OD1-N 3.11Å; D408-T410 PolarHBondContact OD1-OG1 2.76Å; T410-H412 PolarHBondContact OG1-CE1 2.86Å; T410-H412 VanDerWaalsContact OG1-CE1 3.29Å
411I96Very high93.1Very high1 Ų126.8 Ų26.81%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-110.3134168.4-52.2167.9000106.8T117 L118 I125 V128 F137 S139 W149 T404T117-I411 WeakPolarHBondContact CA-O 3.5Å; L118-I411 HydrophobicContact CB-CB 4.21Å; L118-I411 PolarHBondContact N-O 3.07Å; L118-I411 PolarHBondContact O-N 2.88Å; I125-I411 HydrophobicContact CD1-CB 4.4Å; I125-I411 HydrophobicContact CD1-CD1 3.89Å; I125-I411 HydrophobicContact CD1-CG1 3.15Å; V128-I411 HydrophobicContact CG1-CG2 4.37Å; F137-I411 HydrophobicContact CE2-CD1 4.03Å; F137-I411 HydrophobicContact CE2-CG2 3.84Å; F137-I411 HydrophobicContact CZ-CD1 4.41Å; F137-I411 HydrophobicContact CZ-CG2 3.95Å; S139-I411 VanDerWaalsContact CB-CD1 3.41Å; S139-I411 WeakPolarHBondContact OG-CD1 3.07Å; W149-I411 HydrophobicContact CZ2-CD1 4.31Å; T404-I411 CarbonylContact O-C 3.51Å; T404-I411 VanDerWaalsContact O-CA 3.24Å; T404-I411 WeakPolarHBondContact O-CA 3.47Å; T404-I411 WeakPolarHBondContact O-CG2 3.33Å
412H95.7Very high93.2Very high24 Ų2427.4 Ų27.411%0.11113%0.127CC..EExtended strand (participates in β ladder)trans-112.6132.6172.7-70.97.5000109.8A114 F116 T117 A385 H386 I403 T404 T410 W414A114-H412 HydrophobicContact CB-CB 3.93Å; F116-H412 WeakPolarHBondContact O-CA 3.38Å; T117-H412 WeakPolarHBondContact CG2-CE1 3.43Å; T117-H412 PolarHBondContact OG1-CE1 2.93Å; A385-H412 PolarHBondContact O-CD2 3Å; A385-H412 PolarHBondContact O-NE2 3.34Å; H386-H412 AromaticContact CE1-CD2 3.77Å; H386-H412 AromaticContact CE1-CE1 3.87Å; H386-H412 AromaticContact CE1-CG 3.5Å; H386-H412 AromaticContact CE1-ND1 3.61Å; H386-H412 AromaticContact ND1-CD2 3.93Å; H386-H412 AromaticContact ND1-CE1 3.85Å; H386-H412 AromaticContact ND1-NE2 3.81Å; H386-H412 AromaticContact NE2-CG 3.94Å; I403-H412 WeakPolarHBondContact CA-O 3.41Å; T404-H412 PolarHBondContact N-O 2.79Å; T404-H412 PolarHBondContact O-N 3.43Å; T410-H412 PolarHBondContact OG1-CE1 2.86Å; T410-H412 VanDerWaalsContact OG1-CE1 3.29Å; H412-W414 HydrophobicContact CB-CH2 4.5Å; H412-W414 HydrophobicContact CB-CZ2 3.66Å; H412-W414 AromaticContact CD2-CZ2 3.78Å
413I94.3Very high93.1Very high0 Ų029.2 Ų29.20%014%0.135CC..EExtended strand (participates in β ladder)trans-101.4123.7171.8-54.1-178.4000107.3A114 K115 F116 L118 F137 Y401 I403A114-I413 CarbonylContact C-O 3.53Å; K115-I413 PolarHBondContact N-O 2.98Å; F116-I413 HydrophobicContact CB-CB 4.23Å; F116-I413 HydrophobicContact CB-CD1 4.09Å; F116-I413 HydrophobicContact CB-CG1 4.28Å; F116-I413 HydrophobicContact CD2-CB 4.43Å; F116-I413 HydrophobicContact CD2-CD1 4.04Å; F116-I413 PolarHBondContact O-N 3.36Å; L118-I413 HydrophobicContact CD1-CD1 3.79Å; L118-I413 HydrophobicContact CD1-CG1 4.27Å; L118-I413 HydrophobicContact CG-CD1 4.48Å; F137-I413 HydrophobicContact CE1-CD1 3.84Å; F137-I413 HydrophobicContact CE1-CG1 4.41Å; F137-I413 HydrophobicContact CZ-CD1 4.39Å; Y401-I413 HydrophobicContact CD1-CG2 4.26Å; I403-I413 HydrophobicContact CG2-CG1 4.1Å; I403-I413 HydrophobicContact CG2-CG2 4.5Å
414W92.8Very high93Very high6 Ų631.3 Ų31.32%0.02315%0.145CC..EExtended strand (participates in β ladder)trans-105.9130.4-179.3-52.391.9000109.5P110 P112 A114 I369 L383 A385 Y401 A402 T404 H412P110-W414 HydrophobicContact CB-CB 3.76Å; P110-W414 HydrophobicContact CB-CG 4.08Å; P110-W414 HydrophobicContact CG-CB 4.5Å; P112-W414 HydrophobicContact CB-CZ3 4.46Å; A114-W414 HydrophobicContact CB-CD2 4.49Å; A114-W414 HydrophobicContact CB-CE3 4.14Å; A114-W414 HydrophobicContact CB-CH2 4.03Å; A114-W414 HydrophobicContact CB-CZ2 4.4Å; A114-W414 HydrophobicContact CB-CZ3 3.9Å; I369-W414 HydrophobicContact CD1-CZ2 4.4Å; L383-W414 HydrophobicContact CD1-CD2 4.46Å; L383-W414 HydrophobicContact CD1-CE3 3.86Å; L383-W414 HydrophobicContact CD1-CH2 4.48Å; L383-W414 HydrophobicContact CD1-CZ3 3.87Å; L383-W414 HydrophobicContact CD2-CD2 4.41Å; L383-W414 HydrophobicContact CD2-CE3 4.12Å; L383-W414 HydrophobicContact CD2-CH2 3.32Å; L383-W414 HydrophobicContact CD2-CZ2 3.65Å; L383-W414 HydrophobicContact CD2-CZ3 3.56Å; L383-W414 HydrophobicContact CG-CH2 4.41Å; L383-W414 HydrophobicContact CG-CZ3 4.22Å; A385-W414 HydrophobicContact CB-CH2 4.37Å; A385-W414 HydrophobicContact CB-CZ2 3.76Å; Y401-W414 WeakPolarHBondContact CA-O 3.35Å; A402-W414 HydrophobicContact CB-CB 4.27Å; A402-W414 PolarHBondContact N-O 3.43Å; A402-W414 PolarHBondContact O-N 2.82Å; T404-W414 PolarHBondContact OG1-NE1 3.36Å; H412-W414 HydrophobicContact CB-CH2 4.5Å; H412-W414 HydrophobicContact CB-CZ2 3.66Å; H412-W414 AromaticContact CD2-CZ2 3.78Å
415D89.6Confident92.7Very high46 Ų4633.7 Ų33.725%0.24616%0.156CC..EExtended strand (participates in β ladder)trans-80.2131.2165.9-158.3-26.4000108.5R111 R417R111-D415 PolarHBondContact N-O 3.04Å; R111-D415 VanDerWaalsContact N-O 3.11Å; D415-R417 WeakPolarHBondContact OD1-CB 3.34Å; D415-R417 WeakPolarHBondContact OD1-CG 3.38Å; D415-R417 PolarHBondContact OD1-N 2.87Å
416C84.6Confident92.4Very high1 Ų136.5 Ų36.51%0.00717%0.169CC..  trans-98.2-3.7179.9-640000112.6A108 I109 R111 P400A108-C416 CarbonylContact C-O 3.58Å; A108-C416 VanDerWaalsContact CA-O 3.23Å; A108-C416 WeakPolarHBondContact CA-O 3.27Å; A108-C416 HydrophobicContact CB-CB 3.87Å; I109-C416 PolarHBondContact N-O 3.27Å; I109-C416 WeakPolarHBondContact O-CA 3.31Å; R111-C416 PolarHBondContact NH1-O 3.34Å; R111-C416 PolarHBondContact NH2-O 3.4Å; P400-C416 HydrophobicContact CB-CB 3.99Å; P400-C416 VanDerWaalsContact O-CB 3.3Å; P400-C416 WeakPolarHBondContact O-CB 3.45Å; P400-C416 PolarHBondContact O-N 3.28Å
417R78.2Confident92Very high181 Ų18139.8 Ų39.868%0.68318%0.184SC*.  trans-77.10-179.1-68.5-176.9175.9171.31.5115.6R111 P400 D415R111-R417 VanDerWaalsContact CZ-C 3.42Å; R111-R417 PolarHBondContact NE-O 3.41Å; R111-R417 PolarHBondContact NH2-O 2.78Å; R111-R417 PolarHBondContact NH2-OXT 3.29Å; P400-R417 HydrophobicContact CB-CG 3.78Å; P400-R417 HydrophobicContact CG-CG 3.42Å; P400-R417 VanDerWaalsContact CG-CG 3.42Å; P400-R417 VanDerWaalsContact CG-NE 3.32Å; D415-R417 WeakPolarHBondContact OD1-CB 3.34Å; D415-R417 WeakPolarHBondContact OD1-CG 3.38Å; D415-R417 PolarHBondContact OD1-N 2.87Å

Retrieved 417 of 417 residues in 122.3 ms (Link to these results)

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