A0A3Q0KLI5_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 A0A3Q0KLI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 450 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
1M47.4Very low77.7Confident229 Ų229111.9 Ų111.9100%1.12855%0.553SS**  0112.30-170.1-178.1-96.600107.1
2V67.6Low78.5Confident145 Ų145104.6 Ų104.688%0.87952%0.518SS*.PPolyproline II helixtrans-83.7116.1175.1-179.30000106.7
3L73.6Confident79.1Confident82 Ų82103.5 Ų103.543%0.42950%0.504SS..PPolyproline II helixtrans-61.8136.4175.7-71.7168000109.2Q7 K8 L11L3-Q7 HydrophobicContact CB-CB 4.45Å; L3-Q7 HydrophobicContact CD2-CB 4.28Å; L3-K8 HydrophobicContact CB-CB 4.46Å; L3-L11 HydrophobicContact CD1-CD2 3.97Å
4A85.6Confident79.5Confident56 Ų5696.1 Ų96.146%0.46347%0.469SS..PPolyproline II helixtrans-60.5148170.800000109.6R6 Q7 K8A4-R6 PolarHBondContact O-N 2.93Å; A4-R6 VanDerWaalsContact O-N 3.11Å; A4-Q7 HydrophobicContact CB-CG 4.29Å; A4-Q7 VanDerWaalsContact N-OE1 3.13Å; A4-Q7 WeakPolarHBondContact O-CA 3.49Å; A4-Q7 WeakPolarHBondContact O-CB 3.39Å; A4-Q7 PolarHBondContact O-N 3.03Å; A4-K8 PolarHBondContact O-N 3.33Å
5Q82.1Confident80Confident121 Ų12192.5 Ų92.557%0.56545%0.452SS*.Hα-helixtrans-51.2-42.7-176-176.761.419.900112.6Q7 K8 E9Q5-Q7 PolarHBondContact O-N 3.32Å; Q5-K8 WeakPolarHBondContact O-CB 3.45Å; Q5-K8 PolarHBondContact O-N 3.26Å; Q5-E9 PolarHBondContact NE2-OE1 3.06Å; Q5-E9 WeakPolarHBondContact O-CG 3.36Å; Q5-E9 PolarHBondContact O-N 3.42Å
6R81.6Confident80.3Confident191 Ų19187 Ų8772%0.72143%0.426SS*.Hα-helixtrans-60.7-41.2175.7-164.5-174.385.8156.34.1113.4A4 E9 E10A4-R6 PolarHBondContact O-N 2.93Å; A4-R6 VanDerWaalsContact O-N 3.11Å; R6-E9 PolarHBondContact O-N 3.07Å; R6-E10 WeakPolarHBondContact O-CB 3.44Å; R6-E10 PolarHBondContact O-N 3.49Å
7Q82.2Confident80.6Confident100 Ų10082.6 Ų82.647%0.46740%0.404SS..Hα-helixtrans-69.8-37.8179.1-66.6173.8-4000111.1L3 A4 Q5 E10 L11L3-Q7 HydrophobicContact CB-CB 4.45Å; L3-Q7 HydrophobicContact CD2-CB 4.28Å; A4-Q7 HydrophobicContact CB-CG 4.29Å; A4-Q7 VanDerWaalsContact N-OE1 3.13Å; A4-Q7 WeakPolarHBondContact O-CA 3.49Å; A4-Q7 WeakPolarHBondContact O-CB 3.39Å; A4-Q7 PolarHBondContact O-N 3.03Å; Q5-Q7 PolarHBondContact O-N 3.32Å; Q7-E10 PolarHBondContact O-N 2.99Å; Q7-L11 WeakPolarHBondContact O-CB 3.4Å; Q7-L11 PolarHBondContact O-N 3.15Å
8K82.5Confident80.9Confident104 Ų10482.3 Ų82.345%0.45240%0.399SS..Hα-helixtrans-61.3-46.4174.4-174.8-178.3176.9-175.70110.9L3 A4 Q5 L11 N12L3-K8 HydrophobicContact CB-CB 4.46Å; A4-K8 PolarHBondContact O-N 3.33Å; Q5-K8 WeakPolarHBondContact O-CB 3.45Å; Q5-K8 PolarHBondContact O-N 3.26Å; K8-L11 PolarHBondContact O-N 3.06Å; K8-N12 WeakPolarHBondContact O-CB 3.31Å; K8-N12 PolarHBondContact O-N 2.92Å; K8-N12 PolarHBondContact O-OD1 2.84Å
9E84Confident81.1Confident91 Ų9179.3 Ų79.343%0.42538%0.384SS..Hα-helixtrans-62.8-43.4176.3-73.6167.7-164.900112.5Q5 R6 L11 N12 R13Q5-E9 PolarHBondContact NE2-OE1 3.06Å; Q5-E9 WeakPolarHBondContact O-CG 3.36Å; Q5-E9 PolarHBondContact O-N 3.42Å; R6-E9 PolarHBondContact O-N 3.07Å; E9-L11 PolarHBondContact O-N 3.24Å; E9-N12 PolarHBondContact O-N 3.04Å; E9-R13 WeakPolarHBondContact O-CG 3.43Å; E9-R13 PolarHBondContact O-N 3.48Å
10E84Confident81.3Confident56 Ų5681.5 Ų81.526%0.26239%0.392SS..Hα-helixtrans-62.5-42.3177.2-162.2-167.213400112R6 Q7 A14 Y45 K52R6-E10 WeakPolarHBondContact O-CB 3.44Å; R6-E10 PolarHBondContact O-N 3.49Å; Q7-E10 PolarHBondContact O-N 2.99Å; E10-A14 PolarHBondContact O-N 3.17Å; E10-A14 VanDerWaalsContact O-N 3.08Å; E10-Y45 HydrophobicContact CG-CE1 3.72Å; E10-K52 IonicContact OE1-NZ 3.76Å; E10-K52 PolarHBondContact OE1-NZ 2.82Å
11L84.3Confident81.4Confident56 Ų5681.1 Ų81.129%0.29340%0.402SS..Hα-helixtrans-65-46175.9179.663.5000111.2L3 Q7 K8 E9 R13 A14 I15 L49L3-L11 HydrophobicContact CD1-CD2 3.97Å; Q7-L11 WeakPolarHBondContact O-CB 3.4Å; Q7-L11 PolarHBondContact O-N 3.15Å; K8-L11 PolarHBondContact O-N 3.06Å; E9-L11 PolarHBondContact O-N 3.24Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.4Å; L11-A14 PolarHBondContact O-N 3.21Å; L11-A14 VanDerWaalsContact O-N 3.16Å; L11-I15 HydrophobicContact CD1-CD1 4.16Å; L11-I15 HydrophobicContact CD1-CG1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.88Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.15Å; L11-I15 PolarHBondContact O-N 3.49Å; L11-L49 HydrophobicContact CD1-CD1 4.23Å
12N87.1Confident83.3Confident24 Ų2473.5 Ų73.513%0.12837%0.367CS..Hα-helixtrans-58.5-43.8178.1-76-2.8000111.1K8 E9 I15 A16 F31 L37K8-N12 WeakPolarHBondContact O-CB 3.31Å; K8-N12 PolarHBondContact O-N 2.92Å; K8-N12 PolarHBondContact O-OD1 2.84Å; E9-N12 PolarHBondContact O-N 3.04Å; N12-I15 PolarHBondContact O-N 3.04Å; N12-A16 PolarHBondContact O-N 2.79Å; N12-F31 HydrophobicContact CB-CE1 4.27Å; N12-F31 HydrophobicContact CB-CZ 4.16Å; N12-F31 WeakPolarHBondContact O-CE1 3.24Å; N12-L37 HydrophobicContact CB-CD1 4.04Å; N12-L37 HydrophobicContact CB-CD2 4.18Å; N12-L37 HydrophobicContact CB-CG 4.3Å
13R86.1Confident84.1Confident90 Ų9069 Ų6934%0.3435%0.35SS..Hα-helixtrans-63.1-41.5175.2-71.8-178.6-179.7-143.11.3112.7E9 L11 I15 A16 D17 L37 D42 Y45E9-R13 WeakPolarHBondContact O-CG 3.43Å; E9-R13 PolarHBondContact O-N 3.48Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 3.4Å; R13-I15 PolarHBondContact O-N 3.49Å; R13-A16 PolarHBondContact O-N 2.9Å; R13-D17 PolarHBondContact O-N 3.08Å; R13-L37 HydrophobicContact CG-CD2 3.71Å; R13-D42 IonicContact NH1-OD2 3.85Å; R13-D42 PolarHBondContact NH1-OD2 3.39Å; R13-D42 VanDerWaalsContact NH1-OD2 3.15Å; R13-Y45 HydrophobicContact CB-CD1 3.73Å; R13-Y45 HydrophobicContact CB-CD2 4.11Å; R13-Y45 HydrophobicContact CB-CE1 3.77Å; R13-Y45 HydrophobicContact CB-CE2 4.18Å; R13-Y45 HydrophobicContact CB-CG 3.91Å; R13-Y45 VanDerWaalsContact CD-CZ 3.42Å; R13-Y45 HydrophobicContact CG-CE2 4.48Å
14A85.1Confident84.8Confident1 Ų171 Ų711%0.00835%0.352CS..Hα-helixtrans-65.8-35.517700000113E10 L11 Y18 L48 L49E10-A14 PolarHBondContact O-N 3.17Å; E10-A14 VanDerWaalsContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 3.21Å; L11-A14 VanDerWaalsContact O-N 3.16Å; A14-Y18 WeakPolarHBondContact O-CB 3.39Å; A14-Y18 PolarHBondContact O-N 2.99Å; A14-L48 HydrophobicContact CB-CB 4.26Å; A14-L48 HydrophobicContact CB-CD2 4.28Å; A14-L48 HydrophobicContact CB-CG 4.44Å; A14-L49 HydrophobicContact CB-CB 4.12Å
15I86.3Confident84.8Confident42 Ų4272.6 Ų72.622%0.21536%0.356CS..Hα-helixtrans-67.4-45.9173.9-66.6165.7000110.8L11 N12 R13 D17 Y18 L19 F31 L49L11-I15 HydrophobicContact CD1-CD1 4.16Å; L11-I15 HydrophobicContact CD1-CG1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.88Å; L11-I15 HydrophobicContact CG-CG1 4.48Å; L11-I15 WeakPolarHBondContact O-CG1 3.15Å; L11-I15 PolarHBondContact O-N 3.49Å; N12-I15 PolarHBondContact O-N 3.04Å; R13-I15 PolarHBondContact O-N 3.49Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.13Å; I15-Y18 PolarHBondContact O-N 3.33Å; I15-L19 HydrophobicContact CG2-CD1 4Å; I15-L19 HydrophobicContact CG2-CG 4.34Å; I15-L19 WeakPolarHBondContact O-CG 3.2Å; I15-L19 PolarHBondContact O-N 3.29Å; I15-F31 HydrophobicContact CB-CE1 4.02Å; I15-F31 HydrophobicContact CB-CZ 3.86Å; I15-F31 HydrophobicContact CD1-CE2 4.37Å; I15-F31 HydrophobicContact CD1-CZ 4.05Å; I15-F31 HydrophobicContact CG2-CD1 4.24Å; I15-F31 HydrophobicContact CG2-CD2 4.27Å; I15-F31 HydrophobicContact CG2-CE1 3.89Å; I15-F31 HydrophobicContact CG2-CE2 3.91Å; I15-F31 HydrophobicContact CG2-CG 4.42Å; I15-F31 HydrophobicContact CG2-CZ 3.72Å; I15-L49 HydrophobicContact CG1-CD1 4.34Å; I15-L49 HydrophobicContact CG1-CD2 4Å
16A85.6Confident85.1Confident4 Ų476 Ų763%0.03337%0.369CS..Hα-helixtrans-60.2-42.1177.100000111.7N12 R13 L19 F20 L28 F31 L37N12-A16 PolarHBondContact O-N 2.79Å; R13-A16 PolarHBondContact O-N 2.9Å; A16-L19 PolarHBondContact O-N 3.05Å; A16-F20 WeakPolarHBondContact O-CB 3.09Å; A16-F20 PolarHBondContact O-N 2.87Å; A16-L28 HydrophobicContact CB-CD1 3.96Å; A16-L28 WeakPolarHBondContact O-CD1 3.47Å; A16-F31 HydrophobicContact CB-CD1 4.36Å; A16-F31 HydrophobicContact CB-CE1 4.41Å; A16-L37 HydrophobicContact CB-CD1 4.01Å
17D85.3Confident85.4Confident12 Ų1269.2 Ų69.26%0.06435%0.354CS..Hα-helixtrans-60-50.7174.117966.6000112.1R13 I15 L19 F20 A21 D46 G47R13-D17 PolarHBondContact O-N 3.08Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.13Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.42Å; D17-F20 CarbonylContact O-C 3.58Å; D17-F20 WeakPolarHBondContact O-CB 3.34Å; D17-F20 PolarHBondContact O-N 3.25Å; D17-F20 VanDerWaalsContact O-N 3.08Å; D17-A21 WeakPolarHBondContact O-CB 3.47Å; D17-A21 PolarHBondContact O-N 2.89Å; D17-D46 WeakPolarHBondContact OD2-CA 3.3Å; D17-G47 PolarHBondContact OD2-N 3.14Å
18Y85.3Confident85.5Confident78 Ų7864.7 Ų64.731%0.30633%0.333SS..Hα-helixtrans-57.8-43.7178.5175.5-95000112.9A14 I15 F20 A21 N22 L49 E50A14-Y18 WeakPolarHBondContact O-CB 3.39Å; A14-Y18 PolarHBondContact O-N 2.99Å; I15-Y18 PolarHBondContact O-N 3.33Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; Y18-F20 PolarHBondContact O-N 3.47Å; Y18-A21 PolarHBondContact O-N 2.95Å; Y18-N22 VanDerWaalsContact CD2-ND2 3.31Å; Y18-N22 WeakPolarHBondContact CD2-ND2 3.3Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.5Å; Y18-N22 WeakPolarHBondContact O-CB 3.37Å; Y18-N22 PolarHBondContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 3.49Å; Y18-L49 HydrophobicContact CD1-CD2 4.12Å; Y18-L49 HydrophobicContact CD2-CD2 4.41Å; Y18-L49 HydrophobicContact CG-CD2 3.82Å; Y18-E50 HydrophobicContact CD2-CG 3.78Å; Y18-E50 HydrophobicContact CE2-CG 3.85Å; Y18-E50 WeakPolarHBondContact CE2-OE1 3.15Å
19L86.1Confident85.7Confident24 Ų2463.7 Ų63.713%0.12633%0.332CS..Hα-helixtrans-64-39.1177-70.2175.1000111.6I15 A16 D17 G23 Y24 A27 L28 F31I15-L19 HydrophobicContact CG2-CD1 4Å; I15-L19 HydrophobicContact CG2-CG 4.34Å; I15-L19 WeakPolarHBondContact O-CG 3.2Å; I15-L19 PolarHBondContact O-N 3.29Å; A16-L19 PolarHBondContact O-N 3.05Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.42Å; L19-G23 PolarHBondContact O-N 2.97Å; L19-Y24 HydrophobicContact CD2-CD2 3.99Å; L19-Y24 HydrophobicContact CD2-CG 4.31Å; L19-Y24 PolarHBondContact O-N 3.38Å; L19-A27 HydrophobicContact CD1-CB 4.29Å; L19-A27 HydrophobicContact CD2-CB 4.04Å; L19-L28 HydrophobicContact CB-CB 4.21Å; L19-L28 HydrophobicContact CB-CD1 4.04Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CG 4.31Å
20F84.2Confident85.9Confident124 Ų12462 Ų6254%0.54433%0.334SS..Hα-helixtrans-67.1-49.4176179.6-98.2000111.7A16 D17 Y18 N22 G23 L28 N41A16-F20 WeakPolarHBondContact O-CB 3.09Å; A16-F20 PolarHBondContact O-N 2.87Å; D17-F20 CarbonylContact O-C 3.58Å; D17-F20 WeakPolarHBondContact O-CB 3.34Å; D17-F20 PolarHBondContact O-N 3.25Å; D17-F20 VanDerWaalsContact O-N 3.08Å; Y18-F20 VanDerWaalsContact C-N 3.32Å; Y18-F20 PolarHBondContact O-N 3.47Å; F20-N22 VanDerWaalsContact C-N 3.29Å; F20-N22 PolarHBondContact O-N 3.14Å; F20-G23 PolarHBondContact O-N 2.82Å; F20-L28 HydrophobicContact CB-CD1 4.3Å; F20-L28 HydrophobicContact CB-CD2 4.09Å; F20-L28 HydrophobicContact CD2-CD2 3.9Å; F20-L28 HydrophobicContact CG-CD2 4.5Å; F20-N41 WeakPolarHBondContact CD1-ND2 3.37Å; F20-N41 WeakPolarHBondContact CG-ND2 3.16Å
21A83.8Confident86Confident73 Ų7361.1 Ų61.160%0.60333%0.329SS*.Hα-helixtrans-60.6-35.7-179.400000112.8D17 Y18 G23D17-A21 WeakPolarHBondContact O-CB 3.47Å; D17-A21 PolarHBondContact O-N 2.89Å; Y18-A21 PolarHBondContact O-N 2.95Å; A21-G23 VanDerWaalsContact C-N 3.34Å
22N87.2Confident86Confident70 Ų7062.5 Ų62.537%0.37433%0.33SS..THydrogen-bonded Turntrans-88.65.5176.8-72.4-83.6000114Y18 F20 Y24Y18-N22 VanDerWaalsContact CD2-ND2 3.31Å; Y18-N22 WeakPolarHBondContact CD2-ND2 3.3Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.5Å; Y18-N22 WeakPolarHBondContact O-CB 3.37Å; Y18-N22 PolarHBondContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 3.49Å; F20-N22 VanDerWaalsContact C-N 3.29Å; F20-N22 PolarHBondContact O-N 3.14Å; N22-Y24 VanDerWaalsContact C-N 3.33Å; N22-Y24 HydrophobicContact CB-CD2 3.53Å; N22-Y24 HydrophobicContact CB-CE2 3.36Å; N22-Y24 PolarHBondContact O-N 3.37Å
23G85.2Confident86Confident51 Ų5169.2 Ų69.253%0.52636%0.361SS..THydrogen-bonded Turntrans73.816.6175.800000115.4L19 F20 A21 V25L19-G23 PolarHBondContact O-N 2.97Å; F20-G23 PolarHBondContact O-N 2.82Å; A21-G23 VanDerWaalsContact C-N 3.34Å; G23-V25 PolarHBondContact O-N 3.06Å
24Y88.1Confident86Confident124 Ų12472.8 Ų72.849%0.48638%0.381SS..  trans-8059.9178.6-61.6-59000112.4L19 N22 K26 A27 L28L19-Y24 HydrophobicContact CD2-CD2 3.99Å; L19-Y24 HydrophobicContact CD2-CG 4.31Å; L19-Y24 PolarHBondContact O-N 3.38Å; N22-Y24 VanDerWaalsContact C-N 3.33Å; N22-Y24 HydrophobicContact CB-CD2 3.53Å; N22-Y24 HydrophobicContact CB-CE2 3.36Å; N22-Y24 PolarHBondContact O-N 3.37Å; Y24-K26 VanDerWaalsContact C-N 3.34Å; Y24-K26 PolarHBondContact O-N 3.37Å; Y24-A27 PolarHBondContact O-N 3.42Å; Y24-L28 WeakPolarHBondContact O-CB 3.29Å; Y24-L28 PolarHBondContact O-N 2.96Å
25V85.3Confident85.9Confident89 Ų8973.9 Ų73.954%0.53939%0.389SS..Hα-helixtrans-57.5-40.2-172.2-177.70000113.5G23 L28 N29G23-V25 PolarHBondContact O-N 3.06Å; V25-L28 WeakPolarHBondContact O-CB 3.21Å; V25-L28 PolarHBondContact O-N 2.96Å; V25-N29 PolarHBondContact O-N 3.5Å
26K88.5Confident85.5Confident192 Ų19280.2 Ų80.284%0.83542%0.418SS*.Hα-helixtrans-65.2-45.3178.6-69.3-175.9-179.81790112.1Y24 L28 N29 A30Y24-K26 VanDerWaalsContact C-N 3.34Å; Y24-K26 PolarHBondContact O-N 3.37Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-N29 PolarHBondContact O-N 2.98Å; K26-A30 PolarHBondContact O-N 2.61Å
27A86.9Confident84.9Confident48 Ų4882 Ų8240%0.39743%0.427SS..Hα-helixtrans-66.6-38.3177.600000110.9L19 Y24 F31L19-A27 HydrophobicContact CD1-CB 4.29Å; L19-A27 HydrophobicContact CD2-CB 4.04Å; Y24-A27 PolarHBondContact O-N 3.42Å; A27-F31 WeakPolarHBondContact O-CB 3.24Å; A27-F31 PolarHBondContact O-N 2.92Å
28L85.4Confident83.7Confident6 Ų686 Ų863%0.03146%0.461CS..Hα-helixtrans-58.8-48.1175.9-17873.4000112.2A16 L19 F20 Y24 V25 K26 F31 R32A16-L28 HydrophobicContact CB-CD1 3.96Å; A16-L28 WeakPolarHBondContact O-CD1 3.47Å; L19-L28 HydrophobicContact CB-CB 4.21Å; L19-L28 HydrophobicContact CB-CD1 4.04Å; F20-L28 HydrophobicContact CB-CD1 4.3Å; F20-L28 HydrophobicContact CB-CD2 4.09Å; F20-L28 HydrophobicContact CD2-CD2 3.9Å; F20-L28 HydrophobicContact CG-CD2 4.5Å; Y24-L28 WeakPolarHBondContact O-CB 3.29Å; Y24-L28 PolarHBondContact O-N 2.96Å; V25-L28 WeakPolarHBondContact O-CB 3.21Å; V25-L28 PolarHBondContact O-N 2.96Å; K26-L28 VanDerWaalsContact C-N 3.33Å; L28-F31 PolarHBondContact O-N 3.42Å; L28-R32 WeakPolarHBondContact O-CB 3.48Å; L28-R32 WeakPolarHBondContact O-CG 3.17Å; L28-R32 PolarHBondContact O-N 2.87Å
29N86.1Confident82.7Confident82 Ų8285.3 Ų85.344%0.43948%0.478SS..Hα-helixtrans-65.6-46.6-178.8-72.1-12.5000111.6V25 K26 F31 R32 E33V25-N29 PolarHBondContact O-N 3.5Å; K26-N29 PolarHBondContact O-N 2.98Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 PolarHBondContact O-N 2.55Å; N29-R32 PolarHBondContact O-N 3.17Å; N29-E33 PolarHBondContact O-N 3.43Å; N29-E33 VanDerWaalsContact O-N 3.14Å
30A87.8Confident81.4Confident55 Ų5593 Ų9346%0.45551%0.513SS..Hα-helixtrans-59.5-43175.200000111.6K26 R32 E33 E34K26-A30 PolarHBondContact O-N 2.61Å; A30-R32 PolarHBondContact O-N 3.25Å; A30-E33 PolarHBondContact O-N 2.94Å; A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.11Å
31F86.8Confident80.3Confident39 Ų3989.9 Ų89.917%0.17150%0.502CS..Hα-helixtrans-66-37.5178.3-175.1-98.8000112.5N12 I15 A16 L19 A27 L28 N29 E34 S35 L37N12-F31 HydrophobicContact CB-CE1 4.27Å; N12-F31 HydrophobicContact CB-CZ 4.16Å; N12-F31 WeakPolarHBondContact O-CE1 3.24Å; I15-F31 HydrophobicContact CB-CE1 4.02Å; I15-F31 HydrophobicContact CB-CZ 3.86Å; I15-F31 HydrophobicContact CD1-CE2 4.37Å; I15-F31 HydrophobicContact CD1-CZ 4.05Å; I15-F31 HydrophobicContact CG2-CD1 4.24Å; I15-F31 HydrophobicContact CG2-CD2 4.27Å; I15-F31 HydrophobicContact CG2-CE1 3.89Å; I15-F31 HydrophobicContact CG2-CE2 3.91Å; I15-F31 HydrophobicContact CG2-CG 4.42Å; I15-F31 HydrophobicContact CG2-CZ 3.72Å; A16-F31 HydrophobicContact CB-CD1 4.36Å; A16-F31 HydrophobicContact CB-CE1 4.41Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CG 4.31Å; A27-F31 WeakPolarHBondContact O-CB 3.24Å; A27-F31 PolarHBondContact O-N 2.92Å; L28-F31 PolarHBondContact O-N 3.42Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-F31 PolarHBondContact O-N 2.55Å; F31-E34 PolarHBondContact O-N 3.33Å; F31-S35 VanDerWaalsContact O-CB 3.24Å; F31-S35 WeakPolarHBondContact O-CB 3.31Å; F31-S35 PolarHBondContact O-N 2.94Å; F31-S35 PolarHBondContact O-OG 3.31Å; F31-L37 HydrophobicContact CD1-CD1 4.38Å; F31-L37 HydrophobicContact CE1-CD1 3.94Å
32R84.9Confident79.4Confident84 Ų8490.5 Ų90.532%0.31750%0.495SS..Hα-helixtrans-64.4-39.2176.2-80.2177.8172.3177.5-2.8112.3L28 N29 A30 Q36 N41L28-R32 WeakPolarHBondContact O-CB 3.48Å; L28-R32 WeakPolarHBondContact O-CG 3.17Å; L28-R32 PolarHBondContact O-N 2.87Å; N29-R32 PolarHBondContact O-N 3.17Å; A30-R32 PolarHBondContact O-N 3.25Å; R32-Q36 PolarHBondContact O-N 3.34Å; R32-N41 PolarHBondContact NH2-OD1 3.25Å
33E85.7Confident78.6Confident165 Ų16597.9 Ų97.977%0.77152%0.518SS*.Hα-helixtrans-65-45.6175.5-71.5-179.3176.600111.4N29 A30N29-E33 PolarHBondContact O-N 3.43Å; N29-E33 VanDerWaalsContact O-N 3.14Å; A30-E33 PolarHBondContact O-N 2.94Å
34E86Confident78.1Confident165 Ų165103.3 Ų103.377%0.77153%0.527SS*.Hα-helixtrans-69.7-38.2-179.8-169.3179.4-173.400113.1A30 F31A30-E34 PolarHBondContact O-N 3.17Å; A30-E34 VanDerWaalsContact O-N 3.11Å; F31-E34 PolarHBondContact O-N 3.33Å
35S82.6Confident77.3Confident24 Ų2498.7 Ų98.717%0.16851%0.509CS..Hα-helixtrans-86.3-6.4-176.360.50000114.5F31 L37F31-S35 VanDerWaalsContact O-CB 3.24Å; F31-S35 WeakPolarHBondContact O-CB 3.31Å; F31-S35 PolarHBondContact O-N 2.94Å; F31-S35 PolarHBondContact O-OG 3.31Å; S35-L37 PolarHBondContact O-N 2.97Å; S35-L37 VanDerWaalsContact O-N 3.17Å; S35-L37 VanDerWaalsContact OG-CD1 3.24Å; S35-L37 WeakPolarHBondContact OG-CD1 3.26Å; S35-L37 VanDerWaalsContact OG-CG 3.31Å; S35-L37 WeakPolarHBondContact OG-CG 3.42Å
36Q79.2Confident76.8Confident175 Ų17598.7 Ų98.782%0.81851%0.506SS*.THydrogen-bonded Turntrans52.431.6-175.7-57.5178.14.700113R32 A38R32-Q36 PolarHBondContact O-N 3.34Å; Q36-A38 PolarHBondContact O-N 3.45Å
37L71.9Confident76.3Confident43 Ų4390.6 Ų90.623%0.22548%0.477CS..  trans-72.3110.5177.9-78.4167.9000110.3N12 R13 A16 F31 S35N12-L37 HydrophobicContact CB-CD1 4.04Å; N12-L37 HydrophobicContact CB-CD2 4.18Å; N12-L37 HydrophobicContact CB-CG 4.3Å; R13-L37 HydrophobicContact CG-CD2 3.71Å; A16-L37 HydrophobicContact CB-CD1 4.01Å; F31-L37 HydrophobicContact CD1-CD1 4.38Å; F31-L37 HydrophobicContact CE1-CD1 3.94Å; S35-L37 PolarHBondContact O-N 2.97Å; S35-L37 VanDerWaalsContact O-N 3.17Å; S35-L37 VanDerWaalsContact OG-CD1 3.24Å; S35-L37 WeakPolarHBondContact OG-CD1 3.26Å; S35-L37 VanDerWaalsContact OG-CG 3.31Å; S35-L37 WeakPolarHBondContact OG-CG 3.42Å
38A61.3Low75.9Confident94 Ų9489.7 Ų89.778%0.77747%0.465SS*.  trans-100.8122.2168.600000110.5Q36Q36-A38 PolarHBondContact O-N 3.45Å
39G63.3Low75.7Confident64 Ų6490.3 Ų90.366%0.6647%0.469SS*.SBendtrans138.2157.9173.400000115
40E59.9Low75.4Confident186 Ų18691.1 Ų91.187%0.86947%0.47SS*.  trans-68.5157.7173-76.6-172.8150.800112.4D42E40-D42 PolarHBondContact O-N 3.24Å
41N60.9Low74.9Confident59 Ų5990.9 Ų90.932%0.31646%0.459SS..  trans-65.8105.9177.1-72.44000109.9F20 R32 R43F20-N41 WeakPolarHBondContact CD1-ND2 3.37Å; F20-N41 WeakPolarHBondContact CG-ND2 3.16Å; R32-N41 PolarHBondContact NH2-OD1 3.25Å; N41-R43 PolarHBondContact O-N 3.18Å
42D65.1Low74.6Confident86 Ų8692.8 Ų92.846%0.4647%0.467SS..  trans-67.6126170.4-95.7-37.8000109.9R13 E40 K44 Y45R13-D42 IonicContact NH1-OD2 3.85Å; R13-D42 PolarHBondContact NH1-OD2 3.39Å; R13-D42 VanDerWaalsContact NH1-OD2 3.15Å; E40-D42 PolarHBondContact O-N 3.24Å; D42-K44 HydrophobicContact CB-CB 4.33Å; D42-K44 PolarHBondContact O-N 3.07Å; D42-Y45 HydrophobicContact CB-CD2 3.65Å; D42-Y45 HydrophobicContact CB-CE2 3.82Å; D42-Y45 PolarHBondContact O-N 3.18Å
43R70.7Confident74.5Confident225 Ų22595.2 Ų95.285%0.84948%0.476SS*.THydrogen-bonded Turntrans-52.3-14.5172.6-69.9-176.3-180176.50.4114.6N41 Y45 D46N41-R43 PolarHBondContact O-N 3.18Å; R43-Y45 PolarHBondContact O-N 3.22Å; R43-D46 WeakPolarHBondContact CA-OD1 3.49Å
44K73Confident74Confident165 Ų16590.5 Ų90.572%0.71746%0.459SS*.THydrogen-bonded Turntrans-64.6-26.3176-175.5178.8176-175.70112.7D42D42-K44 HydrophobicContact CB-CB 4.33Å; D42-K44 PolarHBondContact O-N 3.07Å
45Y71.5Confident73.5Confident26 Ų2683.6 Ų83.610%0.10243%0.429CS..SBendtrans-98.4-5.6-173.7-61.5-84.4000113.8E10 R13 D42 R43 G47 L48E10-Y45 HydrophobicContact CG-CE1 3.72Å; R13-Y45 HydrophobicContact CB-CD1 3.73Å; R13-Y45 HydrophobicContact CB-CD2 4.11Å; R13-Y45 HydrophobicContact CB-CE1 3.77Å; R13-Y45 HydrophobicContact CB-CE2 4.18Å; R13-Y45 HydrophobicContact CB-CG 3.91Å; R13-Y45 VanDerWaalsContact CD-CZ 3.42Å; R13-Y45 HydrophobicContact CG-CE2 4.48Å; D42-Y45 HydrophobicContact CB-CD2 3.65Å; D42-Y45 HydrophobicContact CB-CE2 3.82Å; D42-Y45 PolarHBondContact O-N 3.18Å; R43-Y45 PolarHBondContact O-N 3.22Å; Y45-G47 PolarHBondContact O-N 3.36Å; Y45-G47 VanDerWaalsContact O-N 3.13Å; Y45-L48 HydrophobicContact CD1-CD2 3.83Å; Y45-L48 HydrophobicContact CE1-CD2 4.41Å; Y45-L48 WeakPolarHBondContact O-CB 3.32Å; Y45-L48 PolarHBondContact O-N 2.78Å
46D75.5Confident73.4Confident90 Ų9085.8 Ų85.848%0.48144%0.44SS..THydrogen-bonded Turntrans-50114179.9-71.721.7000112D17 R43 L48D17-D46 WeakPolarHBondContact OD2-CA 3.3Å; R43-D46 WeakPolarHBondContact CA-OD1 3.49Å; D46-L48 PolarHBondContact O-N 3.32Å
47G77.4Confident73.5Confident22 Ų2282.2 Ų82.223%0.22743%0.426CS..THydrogen-bonded Turntrans64.610.6177.400000114.3D17 Y45 L49 E50 K51D17-G47 PolarHBondContact OD2-N 3.14Å; Y45-G47 PolarHBondContact O-N 3.36Å; Y45-G47 VanDerWaalsContact O-N 3.13Å; G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 3.43Å; G47-E50 PolarHBondContact O-N 2.75Å; G47-K51 WeakPolarHBondContact O-CG 3.23Å; G47-K51 PolarHBondContact O-N 2.92Å; G47-K51 VanDerWaalsContact O-N 3.14Å
48L78.8Confident73.6Confident29 Ų2981.6 Ų81.615%0.15242%0.421CS..Hα-helixtrans-62.8-36.3-178.9-176.463.7000111.5A14 Y45 D46 K51 K52A14-L48 HydrophobicContact CB-CB 4.26Å; A14-L48 HydrophobicContact CB-CD2 4.28Å; A14-L48 HydrophobicContact CB-CG 4.44Å; Y45-L48 HydrophobicContact CD1-CD2 3.83Å; Y45-L48 HydrophobicContact CE1-CD2 4.41Å; Y45-L48 WeakPolarHBondContact O-CB 3.32Å; Y45-L48 PolarHBondContact O-N 2.78Å; D46-L48 PolarHBondContact O-N 3.32Å; L48-K51 PolarHBondContact O-N 3.27Å; L48-K52 HydrophobicContact CG-CD 4.39Å; L48-K52 WeakPolarHBondContact O-CG 3.24Å; L48-K52 PolarHBondContact O-N 3.37Å
49L81.1Confident74.4Confident19 Ų1981.7 Ų81.710%0.09941%0.407CS..Hα-helixtrans-65-44.3178.7-176.662.6000111.5L11 A14 I15 Y18 G47 K52 W53L11-L49 HydrophobicContact CD1-CD1 4.23Å; A14-L49 HydrophobicContact CB-CB 4.12Å; I15-L49 HydrophobicContact CG1-CD1 4.34Å; I15-L49 HydrophobicContact CG1-CD2 4Å; Y18-L49 HydrophobicContact CD1-CD2 4.12Å; Y18-L49 HydrophobicContact CD2-CD2 4.41Å; Y18-L49 HydrophobicContact CG-CD2 3.82Å; G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 3.43Å; L49-K52 PolarHBondContact O-N 3.03Å; L49-W53 WeakPolarHBondContact O-CB 3.4Å; L49-W53 PolarHBondContact O-N 3.23Å
50E80.1Confident75.4Confident98 Ų9883.7 Ų83.746%0.45840%0.4SS..Hα-helixtrans-62.3-45178-63.3178.9165.700110.9Y18 G47 K52 W53 T54Y18-E50 HydrophobicContact CD2-CG 3.78Å; Y18-E50 HydrophobicContact CE2-CG 3.85Å; Y18-E50 WeakPolarHBondContact CE2-OE1 3.15Å; G47-E50 PolarHBondContact O-N 2.75Å; E50-K52 PolarHBondContact O-N 3.08Å; E50-W53 PolarHBondContact O-N 3.36Å; E50-T54 WeakPolarHBondContact O-CG2 3.46Å; E50-T54 PolarHBondContact O-N 3.4Å; E50-T54 PolarHBondContact O-OG1 3.33Å
51K77.7Confident76.4Confident51 Ų5178.3 Ų78.322%0.22237%0.373CS..Hα-helixtrans-60-42.8175.2-68.3174179.3-172.20112.7G47 L48 T54 S55 I195G47-K51 WeakPolarHBondContact O-CG 3.23Å; G47-K51 PolarHBondContact O-N 2.92Å; G47-K51 VanDerWaalsContact O-N 3.14Å; L48-K51 PolarHBondContact O-N 3.27Å; K51-T54 PolarHBondContact O-OG1 3.25Å; K51-S55 PolarHBondContact O-N 2.91Å; K51-S55 PolarHBondContact O-OG 3.42Å; K51-I195 HydrophobicContact CB-CG2 4.45Å; K51-I195 HydrophobicContact CD-CB 3.87Å; K51-I195 HydrophobicContact CD-CG2 4Å; K51-I195 WeakPolarHBondContact CE-O 3.34Å; K51-I195 PolarHBondContact NZ-O 2.84Å
52K80.3Confident77.2Confident79 Ų7978.2 Ų78.234%0.34337%0.37SS..Hα-helixtrans-65.7-41.5174.7-73.9-177.5-179.6179.70111.2E10 L48 L49 E50 S55 V56E10-K52 IonicContact OE1-NZ 3.76Å; E10-K52 PolarHBondContact OE1-NZ 2.82Å; L48-K52 HydrophobicContact CG-CD 4.39Å; L48-K52 WeakPolarHBondContact O-CG 3.24Å; L48-K52 PolarHBondContact O-N 3.37Å; L49-K52 PolarHBondContact O-N 3.03Å; E50-K52 PolarHBondContact O-N 3.08Å; K52-S55 WeakPolarHBondContact O-CB 3.37Å; K52-S55 PolarHBondContact O-N 3.35Å; K52-V56 WeakPolarHBondContact O-CG2 3.4Å; K52-V56 PolarHBondContact O-N 3.08Å
53W82.1Confident78.1Confident135 Ų13577.5 Ų77.551%0.51137%0.369SS..Hα-helixtrans-64.6-41.6178.8-101.7122.7000113.4L49 E50 S55 V56 I57L49-W53 WeakPolarHBondContact O-CB 3.4Å; L49-W53 PolarHBondContact O-N 3.23Å; E50-W53 PolarHBondContact O-N 3.36Å; W53-S55 VanDerWaalsContact C-N 3.27Å; W53-S55 PolarHBondContact O-N 3.16Å; W53-V56 HydrophobicContact CE3-CB 3.94Å; W53-V56 HydrophobicContact CE3-CG1 3.88Å; W53-V56 HydrophobicContact CZ3-CB 4.24Å; W53-V56 HydrophobicContact CZ3-CG1 3.65Å; W53-V56 PolarHBondContact O-N 3.39Å; W53-V56 VanDerWaalsContact O-N 3.1Å; W53-I57 HydrophobicContact CE3-CD1 4.49Å; W53-I57 HydrophobicContact CE3-CG1 4.1Å; W53-I57 WeakPolarHBondContact O-CG1 3.5Å; W53-I57 PolarHBondContact O-N 2.98Å
54T76Confident78.8Confident66 Ų6672 Ų7241%0.40535%0.354SS..Hα-helixtrans-58.7-40.7175.154.30000111.7E50 K51 R58E50-T54 WeakPolarHBondContact O-CG2 3.46Å; E50-T54 PolarHBondContact O-N 3.4Å; E50-T54 PolarHBondContact O-OG1 3.33Å; K51-T54 PolarHBondContact O-OG1 3.25Å; T54-R58 WeakPolarHBondContact O-CB 3.44Å; T54-R58 PolarHBondContact O-N 3.36Å
55S75.5Confident79.3Confident20 Ų2066.8 Ų66.814%0.1433%0.334CS..Hα-helixtrans-65.3-39.2174.7-62.20000112.6K51 K52 W53 R58 L59K51-S55 PolarHBondContact O-N 2.91Å; K51-S55 PolarHBondContact O-OG 3.42Å; K52-S55 WeakPolarHBondContact O-CB 3.37Å; K52-S55 PolarHBondContact O-N 3.35Å; W53-S55 VanDerWaalsContact C-N 3.27Å; W53-S55 PolarHBondContact O-N 3.16Å; S55-R58 PolarHBondContact O-N 3.4Å; S55-L59 PolarHBondContact O-N 3.05Å
56V80.5Confident79.9Confident69 Ų6969.9 Ų69.942%0.41835%0.352SS..Hα-helixtrans-66.4-46.6176.2171.50000111.5K52 W53 R58 L59 Q60K52-V56 WeakPolarHBondContact O-CG2 3.4Å; K52-V56 PolarHBondContact O-N 3.08Å; W53-V56 HydrophobicContact CE3-CB 3.94Å; W53-V56 HydrophobicContact CE3-CG1 3.88Å; W53-V56 HydrophobicContact CZ3-CB 4.24Å; W53-V56 HydrophobicContact CZ3-CG1 3.65Å; W53-V56 PolarHBondContact O-N 3.39Å; W53-V56 VanDerWaalsContact O-N 3.1Å; V56-R58 PolarHBondContact O-N 3.36Å; V56-L59 PolarHBondContact O-N 3.26Å; V56-Q60 WeakPolarHBondContact O-CB 3.46Å; V56-Q60 PolarHBondContact O-N 3Å
57I80.7Confident80.6Confident100 Ų10070.6 Ų70.651%0.51335%0.352SS..Hα-helixtrans-57.6-41.6176.9-69.7165.8000110.1W53 Q60 K61W53-I57 HydrophobicContact CE3-CD1 4.49Å; W53-I57 HydrophobicContact CE3-CG1 4.1Å; W53-I57 WeakPolarHBondContact O-CG1 3.5Å; W53-I57 PolarHBondContact O-N 2.98Å; I57-Q60 PolarHBondContact O-N 3.03Å; I57-K61 WeakPolarHBondContact O-CB 3.26Å; I57-K61 PolarHBondContact O-N 3.3Å
58R74Confident81.1Confident31 Ų3172.3 Ų72.312%0.11736%0.364CS..Hα-helixtrans-63-46.7176.9-168.9-173.6-64.4131.3-2.3112.7T54 S55 V56 Q60 K62 Y134 Y196T54-R58 WeakPolarHBondContact O-CB 3.44Å; T54-R58 PolarHBondContact O-N 3.36Å; S55-R58 PolarHBondContact O-N 3.4Å; V56-R58 PolarHBondContact O-N 3.36Å; R58-Q60 VanDerWaalsContact C-N 3.33Å; R58-K62 WeakPolarHBondContact O-CB 3.27Å; R58-K62 PolarHBondContact O-N 2.89Å; R58-Y134 HydrophobicContact CG-CD1 3.93Å; R58-Y134 HydrophobicContact CG-CE1 4.39Å; R58-Y134 HydrophobicContact CG-CG 4.25Å; R58-Y196 PolarHBondContact NH2-OH 3.33Å
59L79.5Confident81.4Confident95 Ų9576.2 Ų76.250%0.49738%0.38SS..Hα-helixtrans-63-40.8175.4-77170.1000111.3S55 V56 K62 V63S55-L59 PolarHBondContact O-N 3.05Å; V56-L59 PolarHBondContact O-N 3.26Å; L59-K62 PolarHBondContact O-N 3.35Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.2Å; L59-V63 PolarHBondContact O-N 3.33Å
60Q83.3Confident81.7Confident106 Ų10680 Ų8050%0.49540%0.4SS..Hα-helixtrans-64.9-46.6178.1-173.9175.8-9.700111.8V56 I57 R58 K62 V63 M64V56-Q60 WeakPolarHBondContact O-CB 3.46Å; V56-Q60 PolarHBondContact O-N 3Å; I57-Q60 PolarHBondContact O-N 3.03Å; R58-Q60 VanDerWaalsContact C-N 3.33Å; Q60-K62 VanDerWaalsContact C-N 3.27Å; Q60-K62 PolarHBondContact O-N 2.78Å; Q60-V63 PolarHBondContact O-N 2.86Å; Q60-M64 HydrophobicContact CG-SD 4.27Å; Q60-M64 VanDerWaalsContact O-CG 3.3Å; Q60-M64 WeakPolarHBondContact O-CG 3.48Å; Q60-M64 PolarHBondContact O-N 3.29Å
61K80.6Confident82.2Confident73 Ų7379.3 Ų79.332%0.31740%0.399SS..Hα-helixtrans-56.4-44.4173.4-175.1-180172.4-169.20110.6I57 V63 M64 D65 D150 E152I57-K61 WeakPolarHBondContact O-CB 3.26Å; I57-K61 PolarHBondContact O-N 3.3Å; K61-V63 PolarHBondContact O-N 3.21Å; K61-M64 PolarHBondContact O-N 2.77Å; K61-D65 VanDerWaalsContact O-CG 3.29Å; K61-D65 PolarHBondContact O-N 2.9Å; K61-D150 IonicContact NZ-OD2 3.82Å; K61-E152 VanDerWaalsContact CE-OE2 3.26Å; K61-E152 WeakPolarHBondContact CE-OE2 3.34Å; K61-E152 IonicContact NZ-OE2 3.72Å; K61-E152 PolarHBondContact NZ-OE2 2.79Å
62K77.6Confident82.8Confident57 Ų5782.5 Ų82.525%0.24842%0.415CS..Hα-helixtrans-63.6-42.5177.2-172.761.7172.3-1640113R58 L59 Q60 M64 D65 L66R58-K62 WeakPolarHBondContact O-CB 3.27Å; R58-K62 PolarHBondContact O-N 2.89Å; L59-K62 PolarHBondContact O-N 3.35Å; Q60-K62 VanDerWaalsContact C-N 3.27Å; Q60-K62 PolarHBondContact O-N 2.78Å; K62-M64 VanDerWaalsContact C-N 3.34Å; K62-D65 PolarHBondContact O-N 2.93Å; K62-L66 HydrophobicContact CD-CD1 4.47Å; K62-L66 HydrophobicContact CD-CG 4.46Å; K62-L66 HydrophobicContact CG-CD1 4.06Å; K62-L66 HydrophobicContact CG-CG 4.47Å; K62-L66 WeakPolarHBondContact O-CB 3.33Å; K62-L66 VanDerWaalsContact O-CG 3.26Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.42Å
63V84.3Confident82.9Confident71 Ų7181.1 Ų81.143%0.4342%0.418SS..Hα-helixtrans-61.2-45.9175.4167.90000109.7L59 Q60 K61 D65 L66 E67L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.2Å; L59-V63 PolarHBondContact O-N 3.33Å; Q60-V63 PolarHBondContact O-N 2.86Å; K61-V63 PolarHBondContact O-N 3.21Å; V63-D65 PolarHBondContact O-N 3.49Å; V63-L66 PolarHBondContact O-N 3.02Å; V63-E67 HydrophobicContact CG1-CG 4.17Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.48Å; V63-E67 WeakPolarHBondContact O-CB 3.28Å; V63-E67 VanDerWaalsContact O-CG 3.27Å; V63-E67 WeakPolarHBondContact O-CG 3.42Å; V63-E67 PolarHBondContact O-N 2.99Å
64M85.6Confident83.1Confident110 Ų11078.8 Ų78.854%0.54241%0.413SS..Hα-helixtrans-60.6-43.3176.7-69.2172.563.200112.4Q60 K61 K62 L66 E67 A68Q60-M64 HydrophobicContact CG-SD 4.27Å; Q60-M64 VanDerWaalsContact O-CG 3.3Å; Q60-M64 WeakPolarHBondContact O-CG 3.48Å; Q60-M64 PolarHBondContact O-N 3.29Å; K61-M64 PolarHBondContact O-N 2.77Å; K62-M64 VanDerWaalsContact C-N 3.34Å; M64-L66 VanDerWaalsContact C-N 3.35Å; M64-E67 PolarHBondContact O-N 3.26Å; M64-A68 VanDerWaalsContact O-CB 3.31Å; M64-A68 WeakPolarHBondContact O-CB 3.28Å; M64-A68 PolarHBondContact O-N 2.71Å
65D82.5Confident83.6Confident56 Ų5682.6 Ų82.630%0.29942%0.424SS..Hα-helixtrans-64.5-39.7176.4-68.5-23000111.9K61 K62 V63 K69K61-D65 VanDerWaalsContact O-CG 3.29Å; K61-D65 PolarHBondContact O-N 2.9Å; K62-D65 PolarHBondContact O-N 2.93Å; V63-D65 PolarHBondContact O-N 3.49Å; D65-K69 WeakPolarHBondContact O-CB 3.47Å; D65-K69 VanDerWaalsContact O-CG 3.31Å; D65-K69 WeakPolarHBondContact O-CG 3.34Å; D65-K69 PolarHBondContact O-N 3.4Å
66L85.1Confident83.9Confident91 Ų9187 Ų8748%0.47644%0.442SS..Hα-helixtrans-70.4-39.9177.5-73.9172.8000111.8K62 V63 M64 A68 K69 L70K62-L66 HydrophobicContact CD-CD1 4.47Å; K62-L66 HydrophobicContact CD-CG 4.46Å; K62-L66 HydrophobicContact CG-CD1 4.06Å; K62-L66 HydrophobicContact CG-CG 4.47Å; K62-L66 WeakPolarHBondContact O-CB 3.33Å; K62-L66 VanDerWaalsContact O-CG 3.26Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 3.42Å; V63-L66 PolarHBondContact O-N 3.02Å; M64-L66 VanDerWaalsContact C-N 3.35Å; L66-A68 VanDerWaalsContact C-N 3.35Å; L66-K69 PolarHBondContact O-N 3.39Å; L66-L70 VanDerWaalsContact O-CB 3.28Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.49Å
67E89.6Confident83.9Confident105 Ų10589.4 Ų89.449%0.49145%0.447SS..Hα-helixtrans-64.2-40.5173-74.8173.7171.100111V63 M64 L70 N71V63-E67 HydrophobicContact CG1-CG 4.17Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.48Å; V63-E67 WeakPolarHBondContact O-CB 3.28Å; V63-E67 VanDerWaalsContact O-CG 3.27Å; V63-E67 WeakPolarHBondContact O-CG 3.42Å; V63-E67 PolarHBondContact O-N 2.99Å; M64-E67 PolarHBondContact O-N 3.26Å; E67-L70 PolarHBondContact O-N 3.49Å; E67-N71 VanDerWaalsContact O-CB 3.32Å; E67-N71 WeakPolarHBondContact O-CB 3.34Å; E67-N71 PolarHBondContact O-N 3.07Å; E67-N71 PolarHBondContact O-ND2 3.35Å
68A88.3Confident83.8Confident57 Ų5789.6 Ų89.647%0.47145%0.446SS..Hα-helixtrans-62.5-45.7174.600000111.6M64 L66 N71 E72M64-A68 VanDerWaalsContact O-CB 3.31Å; M64-A68 WeakPolarHBondContact O-CB 3.28Å; M64-A68 PolarHBondContact O-N 2.71Å; L66-A68 VanDerWaalsContact C-N 3.35Å; A68-N71 PolarHBondContact O-N 2.91Å; A68-E72 PolarHBondContact O-N 3.43Å
69K84.9Confident84.1Confident112 Ų11291.5 Ų91.549%0.48746%0.464SS..Hα-helixtrans-64.4-39.8174.7-74.7177.7-179.5-174.10112.6D65 L66 E72 A73D65-K69 WeakPolarHBondContact O-CB 3.47Å; D65-K69 VanDerWaalsContact O-CG 3.31Å; D65-K69 WeakPolarHBondContact O-CG 3.34Å; D65-K69 PolarHBondContact O-N 3.4Å; L66-K69 PolarHBondContact O-N 3.39Å; K69-E72 PolarHBondContact O-N 3.03Å; K69-A73 WeakPolarHBondContact O-CB 3.25Å; K69-A73 PolarHBondContact O-N 3.45Å
70L88.3Confident83.9Confident97 Ų9792.1 Ų92.151%0.50847%0.466SS..Hα-helixtrans-63-45.5175.9-178.264.7000110.1L66 E67 E72 A73 E74L66-L70 VanDerWaalsContact O-CB 3.28Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.49Å; E67-L70 PolarHBondContact O-N 3.49Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-E72 PolarHBondContact O-N 3.08Å; L70-A73 PolarHBondContact O-N 3.4Å; L70-E74 HydrophobicContact CD1-CG 4.41Å; L70-E74 HydrophobicContact CG-CG 4.43Å; L70-E74 WeakPolarHBondContact O-CB 3.07Å; L70-E74 VanDerWaalsContact O-CG 3.3Å; L70-E74 WeakPolarHBondContact O-CG 3.22Å; L70-E74 PolarHBondContact O-N 3.28Å
71N90.4Very high83.4Confident84 Ų8492.4 Ų92.445%0.44947%0.467SS..Hα-helixtrans-62.3-37175.7-74.7-36.9000112.5E67 A68 K75E67-N71 VanDerWaalsContact O-CB 3.32Å; E67-N71 WeakPolarHBondContact O-CB 3.34Å; E67-N71 PolarHBondContact O-N 3.07Å; E67-N71 PolarHBondContact O-ND2 3.35Å; A68-N71 PolarHBondContact O-N 2.91Å; N71-K75 WeakPolarHBondContact O-CB 3.25Å; N71-K75 VanDerWaalsContact O-CG 3.22Å; N71-K75 WeakPolarHBondContact O-CG 3.44Å; N71-K75 PolarHBondContact O-N 2.71Å
72E89.1Confident82.8Confident118 Ų11894 Ų9455%0.55148%0.479SS*.Hα-helixtrans-66.2-48.4174.5-172.5171.8-159.700111A68 K69 L70 E74 K75 E76A68-E72 PolarHBondContact O-N 3.43Å; K69-E72 PolarHBondContact O-N 3.03Å; L70-E72 VanDerWaalsContact C-N 3.32Å; L70-E72 PolarHBondContact O-N 3.08Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.74Å; E72-K75 WeakPolarHBondContact O-CB 3.33Å; E72-K75 PolarHBondContact O-N 3Å; E72-E76 WeakPolarHBondContact O-CG 3.49Å; E72-E76 PolarHBondContact O-N 3.33Å
73A83.1Confident82.2Confident50 Ų5095 Ų9541%0.41350%0.498SS..Hα-helixtrans-62.5-38.1176.100000112.6K69 L70 E76 F77K69-A73 WeakPolarHBondContact O-CB 3.25Å; K69-A73 PolarHBondContact O-N 3.45Å; L70-A73 PolarHBondContact O-N 3.4Å; A73-E76 PolarHBondContact O-N 2.88Å; A73-F77 VanDerWaalsContact O-CB 3.28Å; A73-F77 WeakPolarHBondContact O-CB 3.47Å; A73-F77 PolarHBondContact O-N 3.2Å
74E86.2Confident81Confident87 Ų8798.5 Ų98.541%0.40751%0.513SS..Hα-helixtrans-66.9-39.1174.3-77.6-179.117800111.7L70 E72 F77 Q78L70-E74 HydrophobicContact CD1-CG 4.41Å; L70-E74 HydrophobicContact CG-CG 4.43Å; L70-E74 WeakPolarHBondContact O-CB 3.07Å; L70-E74 VanDerWaalsContact O-CG 3.3Å; L70-E74 WeakPolarHBondContact O-CG 3.22Å; L70-E74 PolarHBondContact O-N 3.28Å; E72-E74 VanDerWaalsContact C-N 3.34Å; E72-E74 PolarHBondContact O-N 2.74Å; E74-F77 PolarHBondContact O-N 3.11Å; E74-Q78 VanDerWaalsContact O-CB 3.3Å; E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.24Å; E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 3.23Å
75K86.3Confident79.1Confident146 Ų14696 Ų9664%0.63552%0.515SS*.Hα-helixtrans-64.5-42.5172.8-77.9171.9-175.7176.30111.6N71 E72 Q78 S79N71-K75 WeakPolarHBondContact O-CB 3.25Å; N71-K75 VanDerWaalsContact O-CG 3.22Å; N71-K75 WeakPolarHBondContact O-CG 3.44Å; N71-K75 PolarHBondContact O-N 2.71Å; E72-K75 WeakPolarHBondContact O-CB 3.33Å; E72-K75 PolarHBondContact O-N 3Å; K75-Q78 PolarHBondContact O-N 2.79Å; K75-S79 VanDerWaalsContact O-CB 3.31Å; K75-S79 WeakPolarHBondContact O-CB 3.04Å; K75-S79 PolarHBondContact O-N 2.97Å
76E82.1Confident76.9Confident112 Ų112102.5 Ų102.552%0.52354%0.541SS..Hα-helixtrans-62.6-46.1174.5-73.4-175.9167.300110.8E72 A73 Q78 S79 M80E72-E76 WeakPolarHBondContact O-CG 3.49Å; E72-E76 PolarHBondContact O-N 3.33Å; A73-E76 PolarHBondContact O-N 2.88Å; E76-Q78 PolarHBondContact O-N 3.08Å; E76-S79 PolarHBondContact O-N 2.82Å; E76-S79 VanDerWaalsContact O-N 3.15Å; E76-S79 PolarHBondContact O-OG 2.83Å; E76-M80 WeakPolarHBondContact O-CG 3.42Å; E76-M80 PolarHBondContact O-N 2.94Å
77F79.9Confident74.3Confident120 Ų120101.6 Ų101.653%0.52655%0.554SS.*Hα-helixtrans-60.5-45.4176.2-171.7-95.3000112A73 E74 S79 M80 Q81A73-F77 VanDerWaalsContact O-CB 3.28Å; A73-F77 WeakPolarHBondContact O-CB 3.47Å; A73-F77 PolarHBondContact O-N 3.2Å; E74-F77 PolarHBondContact O-N 3.11Å; F77-S79 VanDerWaalsContact C-N 3.34Å; F77-S79 PolarHBondContact O-N 3.45Å; F77-M80 HydrophobicContact CD2-CE 4.35Å; F77-M80 PolarHBondContact O-N 3.44Å; F77-Q81 HydrophobicContact CE1-CG 4.38Å; F77-Q81 WeakPolarHBondContact O-CB 3.4Å; F77-Q81 PolarHBondContact O-N 2.9Å
78Q80Confident71.5Confident104 Ų104103.3 Ų103.349%0.48657%0.571SS.*Hα-helixtrans-63.6-38174.1-76.1173.515.500111.9E74 K75 E76 M80 Q81 N82E74-Q78 VanDerWaalsContact O-CB 3.3Å; E74-Q78 WeakPolarHBondContact O-CB 3.35Å; E74-Q78 VanDerWaalsContact O-CG 3.24Å; E74-Q78 WeakPolarHBondContact O-CG 3.42Å; E74-Q78 PolarHBondContact O-N 3.23Å; K75-Q78 PolarHBondContact O-N 2.79Å; E76-Q78 PolarHBondContact O-N 3.08Å; Q78-M80 VanDerWaalsContact C-N 3.33Å; Q78-Q81 PolarHBondContact O-N 3.08Å; Q78-N82 VanDerWaalsContact O-CB 3.28Å; Q78-N82 WeakPolarHBondContact O-CB 3.41Å; Q78-N82 VanDerWaalsContact O-CG 3.23Å; Q78-N82 PolarHBondContact O-N 3Å; Q78-N82 PolarHBondContact O-ND2 2.76Å
79S80Confident68.8Low70 Ų70105.6 Ų105.649%0.4959%0.59SS.*Hα-helixtrans-64.2-39.4175.680.80000111.5K75 E76 F77 A83K75-S79 VanDerWaalsContact O-CB 3.31Å; K75-S79 WeakPolarHBondContact O-CB 3.04Å; K75-S79 PolarHBondContact O-N 2.97Å; E76-S79 PolarHBondContact O-N 2.82Å; E76-S79 VanDerWaalsContact O-N 3.15Å; E76-S79 PolarHBondContact O-OG 2.83Å; F77-S79 VanDerWaalsContact C-N 3.34Å; F77-S79 PolarHBondContact O-N 3.45Å; S79-A83 VanDerWaalsContact O-CB 3.3Å; S79-A83 WeakPolarHBondContact O-CB 3.06Å; S79-A83 PolarHBondContact O-N 3.44Å
80M74.7Confident66.5Low108 Ų108104.2 Ų104.253%0.53261%0.608SS.*Hα-helixtrans-67.2-43.3173-71-171.9-71.400111.5E76 F77 Q78 N82 A83 I84E76-M80 WeakPolarHBondContact O-CG 3.42Å; E76-M80 PolarHBondContact O-N 2.94Å; F77-M80 HydrophobicContact CD2-CE 4.35Å; F77-M80 PolarHBondContact O-N 3.44Å; Q78-M80 VanDerWaalsContact C-N 3.33Å; M80-N82 VanDerWaalsContact C-N 3.35Å; M80-N82 PolarHBondContact O-N 3.13Å; M80-A83 PolarHBondContact O-N 2.88Å; M80-I84 WeakPolarHBondContact O-CD1 3.36Å; M80-I84 VanDerWaalsContact O-CG1 3.26Å; M80-I84 WeakPolarHBondContact O-CG1 3.4Å; M80-I84 PolarHBondContact O-N 2.83Å
81Q72Confident63.7Low112 Ų112104.1 Ų104.152%0.52362%0.621SS.*Hα-helixtrans-62.7-41.1176.8-122.6178.2-13.600111.9F77 Q78 I84 G85F77-Q81 HydrophobicContact CE1-CG 4.38Å; F77-Q81 WeakPolarHBondContact O-CB 3.4Å; F77-Q81 PolarHBondContact O-N 2.9Å; Q78-Q81 PolarHBondContact O-N 3.08Å; Q81-I84 CarbonylContact O-C 3.55Å; Q81-I84 PolarHBondContact O-N 2.8Å; Q81-G85 PolarHBondContact O-N 2.59Å
82N69.4Low61Low108 Ų108104.5 Ų104.558%0.57864%0.636SS**Hα-helixtrans-70.3-35.1176.2-73.6-23.2000112.1Q78 M80 I84 G85 F86Q78-N82 VanDerWaalsContact O-CB 3.28Å; Q78-N82 WeakPolarHBondContact O-CB 3.41Å; Q78-N82 VanDerWaalsContact O-CG 3.23Å; Q78-N82 PolarHBondContact O-N 3Å; Q78-N82 PolarHBondContact O-ND2 2.76Å; M80-N82 VanDerWaalsContact C-N 3.35Å; M80-N82 PolarHBondContact O-N 3.13Å; N82-I84 PolarHBondContact O-N 3.42Å; N82-G85 PolarHBondContact O-N 3.24Å; N82-G85 VanDerWaalsContact O-N 3.12Å; N82-F86 PolarHBondContact O-N 3.47Å
83A64.8Low58.3Low77 Ų77105.5 Ų105.564%0.63665%0.652SS**Hα-helixtrans-64.5-30.6171.700000112.1S79 M80S79-A83 VanDerWaalsContact O-CB 3.3Å; S79-A83 WeakPolarHBondContact O-CB 3.06Å; S79-A83 PolarHBondContact O-N 3.44Å; M80-A83 PolarHBondContact O-N 2.88Å
84I57.9Low56Low145 Ų145106.9 Ų106.974%0.74467%0.671SS**Hα-helixtrans-77.9-30.3171.4-63162.4000111.2M80 Q81 N82M80-I84 WeakPolarHBondContact O-CD1 3.36Å; M80-I84 VanDerWaalsContact O-CG1 3.26Å; M80-I84 WeakPolarHBondContact O-CG1 3.4Å; M80-I84 PolarHBondContact O-N 2.83Å; Q81-I84 CarbonylContact O-C 3.55Å; Q81-I84 PolarHBondContact O-N 2.8Å; N82-I84 PolarHBondContact O-N 3.42Å
85G46.8Very low53.4Low57 Ų57108.3 Ų108.359%0.58869%0.691SS**Hα-helixtrans-82.5-10.9-174.900000116.9Q81 N82Q81-G85 PolarHBondContact O-N 2.59Å; N82-G85 PolarHBondContact O-N 3.24Å; N82-G85 VanDerWaalsContact O-N 3.12Å
86F35.5Very low51Low193 Ų193104.5 Ų104.585%0.84669%0.693SS**SBendtrans-132.685.2177.1-86.8-87.8000110.9N82N82-F86 PolarHBondContact O-N 3.47Å
87G31.9Very low49Very low72 Ų72107.9 Ų107.974%0.74271%0.714SS**  trans-176.795.6175.600000114.4
88V29.6Very low46.9Very low140 Ų140107 Ų10785%0.84872%0.722SS**  trans-36.5137.7170.8176.90000113.7G90V88-G90 PolarHBondContact O-N 3.18Å
89A32.7Very low45Very low106 Ų106105.9 Ų105.988%0.87672%0.72SS**SBendtrans-46.8109.9170.700000111.5
90G35.5Very low42.8Very low83 Ų83112.6 Ų112.686%0.85673%0.734SS**  trans152.73.517100000119.4V88V88-G90 PolarHBondContact O-N 3.18Å
91A29.7Very low41.1Very low95 Ų95111 Ų11179%0.78573%0.734SS**  trans-109.6120.6175.200000111.6
92A33.3Very low39.7Very low92 Ų92110.5 Ų110.576%0.7674%0.735SS**  trans-59.5135-177.800000112.5G94A92-G94 PolarHBondContact O-N 2.85Å
93P32.1Very low38.5Very low139 Ų139113.4 Ų113.490%0.90374%0.738SS**SBendtrans-75.811017729.7-30.4000109.1
94G36.7Very low37.6Very low79 Ų79117.5 Ų117.581%0.81474%0.737SS**  trans174.8-2.417500000119A92A92-G94 PolarHBondContact O-N 2.85Å
95S31.3Very low37.2Very low117 Ų117115.4 Ų115.482%0.81873%0.727SS**SBendtrans-115.495.117865.20000112.2
96G34.8Very low37.6Very low66 Ų66115.9 Ų115.968%0.6872%0.718SS**  trans63111.6143.700000117.5
97L39.9Very low39.1Very low183 Ų183108.8 Ų108.896%0.95869%0.689SS**  trans169.463131.2-86.1162.6000109.9
98S36Very low41.3Very low101 Ų101105.8 Ų105.871%0.70666%0.658SS**SBendtrans-164.165.3166.764.50000112
99D41.1Very low43.9Very low81 Ų8199.7 Ų99.743%0.43362%0.62SS.*SBendtrans-154.514.3164.9-160.617.1000113.5R103D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 IonicContact OD1-NE 3.52Å; D99-R103 IonicContact OD2-CZ 3.35Å; D99-R103 IonicContact OD2-NE 3.2Å; D99-R103 PolarHBondContact OD2-NE 3.44Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.3Å
100R32.7Very low46.5Very low210 Ų21094.7 Ų94.779%0.79258%0.578SS**SBendtrans-110.1-18.8179.7-87.1-171.6174.2-179.4-0.3114.4R104R100-R104 PolarHBondContact O-NE 2.79Å
101S40.4Very low48.9Very low76 Ų7696.4 Ų96.453%0.53156%0.559SS.*SBendtrans-79-51.2169.343.20000109.6R103 R104 D105S101-R103 VanDerWaalsContact C-N 3.33Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-R104 PolarHBondContact O-N 2.85Å; S101-D105 PolarHBondContact O-N 3Å
102D42.5Very low51.7Low100 Ų10095.8 Ų95.854%0.53555%0.547SS..Hα-helixtrans-54.9-43.2-179.1-83.6-29.2000113.2R104 D105 V106D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.33Å; D102-D105 PolarHBondContact O-N 2.88Å; D102-V106 WeakPolarHBondContact O-CG2 3.29Å; D102-V106 PolarHBondContact O-N 3.5Å; D102-V106 VanDerWaalsContact O-N 3.16Å
103R42.5Very low54.4Low169 Ų16996.9 Ų96.964%0.63855%0.546SS*.Hα-helixtrans-67.2-22.7179.8-67.1-174.5-173.7-164.32.2114.7D99 S101D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 IonicContact OD1-NE 3.52Å; D99-R103 IonicContact OD2-CZ 3.35Å; D99-R103 IonicContact OD2-NE 3.2Å; D99-R103 PolarHBondContact OD2-NE 3.44Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.3Å; S101-R103 VanDerWaalsContact C-N 3.33Å; S101-R103 PolarHBondContact O-N 2.89Å
104R46.6Very low57.2Low164 Ų16491.2 Ų91.262%0.61951%0.512SS*.Hα-helixtrans-81.2-33.2-179.6-78.8-175.3-99.9-178-2.6112R100 S101 D102R100-R104 PolarHBondContact O-NE 2.79Å; S101-R104 PolarHBondContact O-N 2.85Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.33Å
105D50.6Low59.9Low101 Ų10191.1 Ų91.154%0.5449%0.489SS..Hα-helixtrans-79.7-32.2175.7-77.2-37.3000112.8S101 D102 D107 A108 H389S101-D105 PolarHBondContact O-N 3Å; D102-D105 PolarHBondContact O-N 2.88Å; D105-D107 VanDerWaalsContact C-N 3.31Å; D105-D107 PolarHBondContact O-N 3.43Å; D105-A108 PolarHBondContact O-N 2.86Å; D105-H389 PolarHBondContact O-NE2 3.29Å
106V55Low63Low66 Ų6688.4 Ų88.440%0.446%0.462SS..Hα-helixtrans-62.7-33-173.9168.80000113.8D102D102-V106 WeakPolarHBondContact O-CG2 3.29Å; D102-V106 PolarHBondContact O-N 3.5Å; D102-V106 VanDerWaalsContact O-N 3.16Å
107D66.4Low65.9Low45 Ų4589 Ų8924%0.24145%0.453CS..THydrogen-bonded Turntrans-115.443.8-176.6-67.2-28.3000111.3D105 I109 R391D105-D107 VanDerWaalsContact C-N 3.31Å; D105-D107 PolarHBondContact O-N 3.43Å; D107-I109 HydrophobicContact CB-CD1 3.99Å; D107-I109 WeakPolarHBondContact O-CB 3.15Å; D107-I109 WeakPolarHBondContact O-CD1 3.32Å; D107-I109 WeakPolarHBondContact O-CG1 3.42Å; D107-I109 PolarHBondContact O-N 2.98Å; D107-R391 IonicContact OD1-NH1 3.2Å; D107-R391 IonicContact OD2-NH1 2.78Å
108A77.3Confident68.6Low9 Ų981 Ų817%0.07441%0.411CS..  trans-56.580.4178.700000112.8D105 H387 P433 C449D105-A108 PolarHBondContact O-N 2.86Å; A108-H387 PolarHBondContact O-NE2 3.36Å; A108-P433 HydrophobicContact CB-CB 4.33Å; A108-C449 VanDerWaalsContact C-CB 3.44Å; A108-C449 CarbonylContact C-O 3.49Å; A108-C449 WeakPolarHBondContact CA-O 3.26Å; A108-C449 HydrophobicContact CB-CB 3.94Å; A108-C449 WeakPolarHBondContact O-CB 3.47Å
109I84.5Confident71.4Confident11 Ų1181 Ų816%0.05641%0.407CS..  trans-108.9138.6-170.7-70161.9000109.1D107 R111 L392 V404 K414 C449D107-I109 HydrophobicContact CB-CD1 3.99Å; D107-I109 WeakPolarHBondContact O-CB 3.15Å; D107-I109 WeakPolarHBondContact O-CD1 3.32Å; D107-I109 WeakPolarHBondContact O-CG1 3.42Å; D107-I109 PolarHBondContact O-N 2.98Å; I109-R111 WeakPolarHBondContact O-CG 3.27Å; I109-R111 PolarHBondContact O-N 3.1Å; I109-L392 HydrophobicContact CD1-CD1 3.63Å; I109-L392 HydrophobicContact CG1-CD1 3.59Å; I109-V404 HydrophobicContact CD1-CG1 4.16Å; I109-V404 HydrophobicContact CG1-CG1 4.09Å; I109-V404 HydrophobicContact CG2-CB 4.45Å; I109-V404 HydrophobicContact CG2-CG1 4.49Å; I109-V404 HydrophobicContact CG2-CG2 3.7Å; I109-K414 HydrophobicContact CG2-CD 3.77Å; I109-C449 PolarHBondContact N-O 3.5Å; I109-C449 WeakPolarHBondContact O-CA 3.17Å
110P87Confident73.9Confident1 Ų179.1 Ų79.11%0.00641%0.407CS..  trans-50.8132.4177.2-29.537000113.3L394 K414 L416 A435 W447P110-L394 HydrophobicContact CG-CD2 3.94Å; P110-K414 PolarHBondContact O-NZ 2.59Å; P110-L416 HydrophobicContact CB-CD1 3.62Å; P110-L416 HydrophobicContact CG-CD1 4.48Å; P110-L416 VanDerWaalsContact O-CD1 3.26Å; P110-L416 WeakPolarHBondContact O-CD1 3.18Å; P110-A435 HydrophobicContact CG-CB 3.64Å; P110-W447 HydrophobicContact CB-CB 3.7Å; P110-W447 HydrophobicContact CB-CD2 4.36Å; P110-W447 HydrophobicContact CB-CG 4Å; P110-W447 HydrophobicContact CG-CB 4.38Å
111R87.1Confident76.9Confident120 Ų12069.6 Ų69.645%0.45337%0.371SS..  trans-117.5136.8177.8-57.9-167-169.2-108.6-0.9111.5I109 P113 D448 R450I109-R111 WeakPolarHBondContact O-CG 3.27Å; I109-R111 PolarHBondContact O-N 3.1Å; R111-P113 VanDerWaalsContact O-O 3.13Å; R111-D448 PolarHBondContact N-O 2.85Å; R111-R450 WeakPolarHBondContact CD-O 3.22Å; R111-R450 PolarHBondContact NE-O 2.98Å; R111-R450 PolarHBondContact NH2-OXT 3.05Å
112P87.4Confident79.6Confident81 Ų8176.1 Ų76.153%0.52638%0.384SS..SBendtrans-72.7154.8167.4-17.232000111.9L416P112-L416 HydrophobicContact CG-CD2 3.64Å
113P89.7Confident82.2Confident115 Ų11573 Ų7375%0.74737%0.37SS*.SBendcis-72.1164.3-11.132.2-35.3000111.6R111 K115R111-P113 VanDerWaalsContact O-O 3.13Å; P113-K115 PolarHBondContact O-N 2.82Å
114A91.8Very high84.9Confident21 Ų2166 Ų6617%0.17435%0.347CS..PPolyproline II helixtrans-56.8136.4170.400000109.8F116 H445 I446 W447A114-F116 VanDerWaalsContact C-N 3.29Å; A114-F116 PolarHBondContact O-N 3.04Å; A114-H445 HydrophobicContact CB-CB 3.86Å; A114-I446 CarbonylContact C-O 3.52Å; A114-W447 HydrophobicContact CB-CD2 4.38Å; A114-W447 HydrophobicContact CB-CE3 4.18Å; A114-W447 HydrophobicContact CB-CH2 4.28Å; A114-W447 HydrophobicContact CB-CZ2 4.46Å; A114-W447 HydrophobicContact CB-CZ3 4.14Å
115K93.4Very high87.4Confident77 Ų7758.2 Ų58.234%0.33532%0.317SS..SBendtrans-60.3-44177-177.6-175.8176.5-163.90110.5P113 E152 Y434 I446P113-K115 PolarHBondContact O-N 2.82Å; K115-E152 PolarHBondContact NZ-O 3.21Å; K115-E152 VanDerWaalsContact NZ-O 3.15Å; K115-Y434 HydrophobicContact CD-CE1 3.87Å; K115-Y434 PolarHBondContact NZ-OH 2.88Å; K115-I446 WeakPolarHBondContact CB-O 3.3Å; K115-I446 PolarHBondContact N-O 2.78Å
116F95.2Very high89.6Confident60 Ų6054.5 Ų54.526%0.26330%0.298SS..EExtended strand (participates in β ladder)trans-136.7145.2175.6-58.8-64.7000110.9A114 L118 E152 T153 H445 I446A114-F116 VanDerWaalsContact C-N 3.29Å; A114-F116 PolarHBondContact O-N 3.04Å; F116-L118 HydrophobicContact CB-CD2 3.85Å; F116-E152 WeakPolarHBondContact CE2-O 2.95Å; F116-T153 WeakPolarHBondContact CZ-O 3.39Å; F116-H445 WeakPolarHBondContact O-CA 3.34Å; F116-I446 HydrophobicContact CB-CB 4.26Å; F116-I446 HydrophobicContact CB-CD1 4.04Å; F116-I446 HydrophobicContact CB-CG1 4.39Å; F116-I446 HydrophobicContact CD2-CB 4.33Å; F116-I446 HydrophobicContact CD2-CD1 3.8Å; F116-I446 HydrophobicContact CG-CD1 4.38Å; F116-I446 PolarHBondContact N-O 2.77Å; F116-I446 PolarHBondContact O-N 3.47Å
117T96.6Very high91.7Very high79 Ų7952.4 Ų52.449%0.48528%0.283SS..EExtended strand (participates in β ladder)trans-115.9107.2167.6-65.40000108T443 I444 H445T117-T443 HydrophobicContact CG2-CG2 4.4Å; T117-I444 CarbonylContact C-O 3.58Å; T117-I444 WeakPolarHBondContact CA-O 3.43Å; T117-H445 VanDerWaalsContact CG2-CE1 3.4Å; T117-H445 WeakPolarHBondContact CG2-CE1 3.41Å; T117-H445 PolarHBondContact OG1-CE1 3.46Å; T117-H445 VanDerWaalsContact OG1-CE1 3.25Å; T117-H445 PolarHBondContact OG1-ND1 2.97Å
118L96.5Very high93.2Very high14 Ų1450.2 Ų50.27%0.07327%0.271CS..EExtended strand (participates in β ladder)trans-94.2138.9-177.5-45-174.1000110.3F116 F137 W149 G154 T443 I444 I446F116-L118 HydrophobicContact CB-CD2 3.85Å; L118-F137 HydrophobicContact CD1-CE1 4.23Å; L118-F137 HydrophobicContact CD1-CZ 3.69Å; L118-W149 HydrophobicContact CB-CE3 4.38Å; L118-W149 HydrophobicContact CB-CH2 4.41Å; L118-W149 HydrophobicContact CB-CZ3 4.16Å; L118-W149 HydrophobicContact CD1-CB 4.13Å; L118-W149 HydrophobicContact CD1-CD2 3.75Å; L118-W149 HydrophobicContact CD1-CE3 3.61Å; L118-W149 HydrophobicContact CD1-CG 4Å; L118-W149 HydrophobicContact CD1-CZ3 4.21Å; L118-G154 VanDerWaalsContact CD2-O 3.27Å; L118-G154 WeakPolarHBondContact CD2-O 3.24Å; L118-T443 WeakPolarHBondContact O-CA 3.45Å; L118-I444 HydrophobicContact CB-CB 4.2Å; L118-I444 PolarHBondContact N-O 2.86Å; L118-I444 PolarHBondContact O-N 3.26Å; L118-I446 HydrophobicContact CD1-CD1 3.98Å; L118-I446 HydrophobicContact CG-CD1 4.33Å
119T95.4Very high94.2Very high102 Ų10251 Ų5163%0.62627%0.274SS*.  trans-128.4149.8175.359.30000108.8T443T119-T443 HydrophobicContact CG2-CG2 4.19Å
120G93Very high94.8Very high41 Ų4151.1 Ų51.142%0.42327%0.274SS..  trans155.5-18.8177.500000115K147G120-K147 VanDerWaalsContact O-CE 3.26Å; G120-K147 WeakPolarHBondContact O-CE 3.29Å
121H96.4Very high95.2Very high10 Ų1051.2 Ų51.25%0.04628%0.275CS..  trans-72.6151.7163.5-80.5-67.4000110.6S139 S141 D143 S145H121-S139 PolarHBondContact CD2-OG 2.57Å; H121-S139 PolarHBondContact NE2-O 3.27Å; H121-S139 PolarHBondContact NE2-OG 2.98Å; H121-S141 VanDerWaalsContact CE1-CB 3.47Å; H121-S141 WeakPolarHBondContact CE1-CB 3.41Å; H121-S141 WeakPolarHBondContact ND1-CB 3.19Å; H121-D143 WeakPolarHBondContact CA-OD2 3.44Å; H121-D143 IonicContact CE1-OD1 3.02Å; H121-D143 IonicContact CG-OD2 2.93Å; H121-D143 IonicContact ND1-OD1 2.79Å; H121-D143 PolarHBondContact ND1-OD1 3.47Å; H121-D143 IonicContact ND1-OD2 3.9Å; H121-D143 PolarHBondContact ND1-OD2 2.79Å; H121-S145 PolarHBondContact CE1-OG 3.29Å; H121-S145 PolarHBondContact ND1-OG 2.82Å
122R96.7Very high95.5Very high212 Ų21247.6 Ų47.680%0.827%0.267SS*.SBendtrans-102.2-2.2-178.3-61.6-178.9178.4-161.8-2.5113.1D143R122-D143 HydrophobicContact CB-CB 4.18Å; R122-D143 PolarHBondContact N-OD2 3.04Å
123S98Very high95.5Very high35 Ų3548.2 Ų48.225%0.24526%0.262CS..SBendtrans-150.8168.5-175.6-56.20000108.8S141S123-S141 PolarHBondContact O-OG 2.84Å
124P98.3Very high95.5Very high23 Ų2345.2 Ų45.215%0.14924%0.236CC..  trans-45.7141.3-180-35.641.2000113.8S141 E142 V440P124-S141 VanDerWaalsContact O-CA 3.29Å; P124-S141 WeakPolarHBondContact O-CA 3.38Å; P124-S141 WeakPolarHBondContact O-CB 3.47Å; P124-S141 PolarHBondContact O-OG 2.86Å; P124-E142 HydrophobicContact CB-CG 4.2Å; P124-E142 WeakPolarHBondContact CD-OE2 3.38Å; P124-E142 WeakPolarHBondContact CG-OE2 3.47Å; P124-E142 PolarHBondContact O-N 2.75Å; P124-V440 HydrophobicContact CB-CB 4.49Å; P124-V440 HydrophobicContact CB-CG1 4.44Å; P124-V440 HydrophobicContact CG-CG1 4.01Å
125I98.5Very high95.4Very high0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-80.2130.7172.3-63.6142.6000107.4V128 A140 T424 S439 Q442 T443 I444I125-V128 HydrophobicContact CG2-CG1 3.79Å; I125-A140 WeakPolarHBondContact CA-O 3.25Å; I125-A140 WeakPolarHBondContact CG2-O 3.4Å; I125-T424 VanDerWaalsContact O-CB 3.28Å; I125-T424 WeakPolarHBondContact O-CB 3.3Å; I125-T424 PolarHBondContact O-OG1 3.34Å; I125-S439 PolarHBondContact N-O 3.13Å; I125-S439 VanDerWaalsContact N-O 3.11Å; I125-Q442 VanDerWaalsContact CD1-C 3.42Å; I125-T443 WeakPolarHBondContact CD1-O 3.3Å; I125-I444 HydrophobicContact CD1-CD1 4.4Å; I125-I444 HydrophobicContact CD1-CG1 3.47Å; I125-I444 VanDerWaalsContact CD1-CG1 3.47Å; I125-I444 HydrophobicContact CG1-CG1 4.2Å
126T98.1Very high95.5Very high22 Ų2241.3 Ų41.314%0.13522%0.217CC..EExtended strand (participates in β ladder)trans-99.3-37.2-178.251.80000111.4A140 E142 V167T126-A140 PolarHBondContact N-O 3.46Å; T126-A140 VanDerWaalsContact OG1-C 3.24Å; T126-A140 PolarHBondContact OG1-O 3.27Å; T126-A140 VanDerWaalsContact OG1-O 3.13Å; T126-E142 HydrophobicContact CG2-CG 3.64Å; T126-V167 VanDerWaalsContact CB-O 3.27Å; T126-V167 WeakPolarHBondContact CB-O 3.35Å; T126-V167 VanDerWaalsContact CG2-O 3.32Å; T126-V167 WeakPolarHBondContact CG2-O 3.42Å; T126-V167 PolarHBondContact OG1-O 3.22Å
127R98.4Very high95.6Very high22 Ų2238.5 Ų38.58%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-147.3142.3-177.5-163.169161.3115.34.6111.5S139 A140 D169 V170 Q383R127-S139 CarbonylContact O-C 3.58Å; R127-S139 VanDerWaalsContact O-CA 3.31Å; R127-S139 WeakPolarHBondContact O-CA 3.33Å; R127-A140 HydrophobicContact CB-CB 4.08Å; R127-A140 PolarHBondContact N-O 2.79Å; R127-A140 PolarHBondContact O-N 2.88Å; R127-D169 VanDerWaalsContact CD-OD1 3.26Å; R127-D169 WeakPolarHBondContact CD-OD1 3.45Å; R127-D169 WeakPolarHBondContact CG-OD1 3.49Å; R127-D169 IonicContact CZ-OD1 2.84Å; R127-D169 IonicContact NE-OD1 2.96Å; R127-D169 PolarHBondContact NE-OD1 3.31Å; R127-D169 IonicContact NH2-OD1 3.63Å; R127-V170 HydrophobicContact CB-CG2 4.09Å; R127-V170 HydrophobicContact CG-CG2 3.72Å; R127-Q383 VanDerWaalsContact NH1-CD 3.34Å; R127-Q383 VanDerWaalsContact NH1-NE2 3.12Å
128V98.3Very high95.7Very high0 Ų034.7 Ų34.70%018%0.181CC..EExtended strand (participates in β ladder)trans-127140.9165.9-65.30000109.1I125 V138 S425 I436 I444I125-V128 HydrophobicContact CG2-CG1 3.79Å; V128-V138 WeakPolarHBondContact CA-O 3.23Å; V128-S425 WeakPolarHBondContact CG2-OG 3.34Å; V128-S425 PolarHBondContact N-OG 3.19Å; V128-S425 PolarHBondContact O-OG 3.14Å; V128-I436 HydrophobicContact CB-CD1 3.91Å; V128-I436 HydrophobicContact CB-CG1 4.11Å; V128-I436 HydrophobicContact CG2-CB 4.38Å; V128-I436 HydrophobicContact CG2-CD1 4.19Å; V128-I436 HydrophobicContact CG2-CG1 3.84Å; V128-I444 HydrophobicContact CG1-CG1 4.42Å; V128-I444 HydrophobicContact CG1-CG2 4.36Å
129L97.9Very high95.8Very high26 Ų2634 Ų3414%0.13618%0.177CC..EExtended strand (participates in β ladder)trans-152.7126.8-175.9-17471.1000111.3F137 V138 V170 F172L129-F137 CarbonylContact O-C 3.57Å; L129-F137 WeakPolarHBondContact O-CA 3.28Å; L129-F137 VanDerWaalsContact O-CB 3.3Å; L129-F137 WeakPolarHBondContact O-CB 3.48Å; L129-V138 HydrophobicContact CB-CG2 3.95Å; L129-V138 PolarHBondContact N-O 2.63Å; L129-V138 PolarHBondContact O-N 3.05Å; L129-V170 HydrophobicContact CB-CG2 4.18Å; L129-V170 HydrophobicContact CD2-CG2 4.43Å; L129-F172 HydrophobicContact CD2-CD2 3.54Å; L129-F172 HydrophobicContact CD2-CE2 4.17Å; L129-F172 HydrophobicContact CD2-CG 4.37Å; L129-F172 HydrophobicContact CG-CD2 3.98Å; L129-F172 HydrophobicContact CG-CE2 4.37Å
130F97.6Very high95.9Very high12 Ų1229.2 Ų29.25%0.05315%0.148CC..EExtended strand (participates in β ladder)trans-69.1144.9171.9-75.7-74.3000111.5F137 Y151 F172 D427 N429 I436F130-F137 HydrophobicContact CD1-CB 3.81Å; F130-F137 HydrophobicContact CE1-CB 4.33Å; F130-F137 HydrophobicContact CG-CB 4.33Å; F130-Y151 AromaticContact CD1-CD1 3.66Å; F130-Y151 HydrophobicContact CD1-CD1 3.66Å; F130-Y151 AromaticContact CD1-CE1 3.89Å; F130-Y151 HydrophobicContact CD1-CE1 3.89Å; F130-Y151 HydrophobicContact CD1-CG 4.41Å; F130-Y151 AromaticContact CE1-CD1 3.51Å; F130-Y151 HydrophobicContact CE1-CD1 3.51Å; F130-Y151 HydrophobicContact CE1-CE1 4.01Å; F130-Y151 AromaticContact CE1-CG 3.8Å; F130-Y151 HydrophobicContact CE1-CG 3.8Å; F130-F172 WeakPolarHBondContact O-CD2 3.43Å; F130-D427 HydrophobicContact CD2-CB 4.13Å; F130-D427 WeakPolarHBondContact CD2-OD2 3.44Å; F130-D427 PolarHBondContact N-OD2 2.74Å; F130-N429 HydrophobicContact CD1-CB 4.06Å; F130-N429 HydrophobicContact CD2-CB 3.71Å; F130-N429 HydrophobicContact CE1-CB 4.01Å; F130-N429 HydrophobicContact CE2-CB 3.63Å; F130-N429 VanDerWaalsContact CE2-N 3.32Å; F130-N429 HydrophobicContact CG-CB 3.9Å; F130-N429 HydrophobicContact CZ-CB 3.77Å; F130-I436 HydrophobicContact CD1-CD1 4.2Å; F130-I436 HydrophobicContact CD2-CD1 3.77Å; F130-I436 HydrophobicContact CD2-CG1 3.93Å; F130-I436 HydrophobicContact CE1-CD1 4.17Å; F130-I436 HydrophobicContact CE1-CG2 3.99Å; F130-I436 HydrophobicContact CE2-CB 4.2Å; F130-I436 HydrophobicContact CE2-CD1 3.76Å; F130-I436 HydrophobicContact CE2-CG1 3.5Å; F130-I436 HydrophobicContact CE2-CG2 4.06Å; F130-I436 HydrophobicContact CG-CD1 4.01Å; F130-I436 HydrophobicContact CZ-CB 4.14Å; F130-I436 HydrophobicContact CZ-CD1 3.98Å; F130-I436 HydrophobicContact CZ-CG1 3.86Å; F130-I436 HydrophobicContact CZ-CG2 3.49Å; F130-I436 VanDerWaalsContact CZ-CG2 3.49Å
131H95.9Very high96.2Very high4 Ų427.2 Ų27.22%0.01913%0.128CC..  trans-72.9140.5167.2-177-70.7000109.9H133 Y134 V136 F172 G176 F193H131-H133 VanDerWaalsContact C-N 3.34Å; H131-H133 PolarHBondContact ND1-N 3.4Å; H131-H133 PolarHBondContact O-N 3.42Å; H131-Y134 AromaticContact CD2-CD2 3.94Å; H131-Y134 AromaticContact CE1-CD2 3.23Å; H131-Y134 WeakPolarHBondContact CE1-CD2 3.35Å; H131-Y134 AromaticContact CE1-CE2 3.8Å; H131-Y134 AromaticContact CE1-CG 3.6Å; H131-Y134 AromaticContact ND1-CD2 3.74Å; H131-Y134 AromaticContact ND1-CG 3.76Å; H131-Y134 PolarHBondContact ND1-N 2.77Å; H131-Y134 AromaticContact NE2-CD2 3.33Å; H131-Y134 VanDerWaalsContact NE2-CD2 3.33Å; H131-Y134 WeakPolarHBondContact NE2-CD2 3.31Å; H131-Y134 AromaticContact NE2-CE2 3.8Å; H131-V136 HydrophobicContact CB-CG2 3.67Å; H131-V136 VanDerWaalsContact CB-O 3.29Å; H131-V136 WeakPolarHBondContact CB-O 3.35Å; H131-V136 PolarHBondContact N-O 3.11Å; H131-F172 HydrophobicContact CB-CE2 4Å; H131-F172 HydrophobicContact CB-CZ 4Å; H131-F172 AromaticContact CD2-CE1 3.54Å; H131-F172 AromaticContact CD2-CZ 3.76Å; H131-G176 PolarHBondContact NE2-O 2.86Å; H131-F193 AromaticContact CD2-CD1 3.45Å; H131-F193 VanDerWaalsContact CD2-CD1 3.45Å; H131-F193 WeakPolarHBondContact CD2-CD1 3.34Å; H131-F193 AromaticContact CD2-CE1 3.32Å; H131-F193 WeakPolarHBondContact CD2-CE1 3.22Å; H131-F193 AromaticContact NE2-CD1 3.74Å
132P92.3Very high96.3Very high44 Ų4431.2 Ų31.229%0.28615%0.146SC..SBendtrans-64-30.1-174.122.3-34.3000115.2F172 L431P132-F172 HydrophobicContact CG-CB 4.47Å; P132-L431 WeakPolarHBondContact O-CD1 3.25Å
133H88.2Confident96.3Very high93 Ų9323 Ų2343%0.43112%0.118SC..SBendtrans-120.1-36.9-175.3-56.3-53.5000116.3H131 S175H131-H133 VanDerWaalsContact C-N 3.34Å; H131-H133 PolarHBondContact ND1-N 3.4Å; H131-H133 PolarHBondContact O-N 3.42Å; H133-S175 PolarHBondContact CD2-O 2.73Å; H133-S175 VanDerWaalsContact CD2-O 3.26Å
134Y88.6Confident96.3Very high52 Ų5222.4 Ų22.420%0.20412%0.115CC..SBendtrans-89.4155.6-174.3-63.7-29.5000112.7R58 H131 V136R58-Y134 HydrophobicContact CG-CD1 3.93Å; R58-Y134 HydrophobicContact CG-CE1 4.39Å; R58-Y134 HydrophobicContact CG-CG 4.25Å; H131-Y134 AromaticContact CD2-CD2 3.94Å; H131-Y134 AromaticContact CE1-CD2 3.23Å; H131-Y134 WeakPolarHBondContact CE1-CD2 3.35Å; H131-Y134 AromaticContact CE1-CE2 3.8Å; H131-Y134 AromaticContact CE1-CG 3.6Å; H131-Y134 AromaticContact ND1-CD2 3.74Å; H131-Y134 AromaticContact ND1-CG 3.76Å; H131-Y134 PolarHBondContact ND1-N 2.77Å; H131-Y134 AromaticContact NE2-CD2 3.33Å; H131-Y134 VanDerWaalsContact NE2-CD2 3.33Å; H131-Y134 WeakPolarHBondContact NE2-CD2 3.31Å; H131-Y134 AromaticContact NE2-CE2 3.8Å; Y134-V136 PolarHBondContact O-N 2.87Å
135N91Very high96.3Very high15 Ų1521.8 Ų21.88%0.0811%0.111CC..SBendtrans-77.341.2-179-61.7-7.2000112.8Y151 E152N135-Y151 VanDerWaalsContact C-CD1 3.4Å; N135-Y151 VanDerWaalsContact CA-CZ 3.47Å; N135-Y151 WeakPolarHBondContact CA-OH 3.32Å; N135-Y151 HydrophobicContact CB-CE1 4.11Å; N135-Y151 HydrophobicContact CB-CE2 4.35Å; N135-Y151 WeakPolarHBondContact O-CD1 3.46Å; N135-Y151 PolarHBondContact O-N 3.05Å; N135-Y151 PolarHBondContact OD1-OH 3.23Å; N135-E152 HydrophobicContact CB-CG 4.24Å; N135-E152 PolarHBondContact ND2-OE1 3.01Å; N135-E152 PolarHBondContact ND2-OE2 2.82Å
136V95.1Very high96.2Very high2 Ų221.9 Ų21.91%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-132.1161.3-176.2-57.40000111H131 Y134 V148 W149 E157 F193H131-V136 HydrophobicContact CB-CG2 3.67Å; H131-V136 VanDerWaalsContact CB-O 3.29Å; H131-V136 WeakPolarHBondContact CB-O 3.35Å; H131-V136 PolarHBondContact N-O 3.11Å; Y134-V136 PolarHBondContact O-N 2.87Å; V136-V148 HydrophobicContact CB-CG1 4.2Å; V136-V148 HydrophobicContact CG2-CG1 4.43Å; V136-W149 CarbonylContact C-O 3.57Å; V136-W149 WeakPolarHBondContact CA-O 3.22Å; V136-W149 WeakPolarHBondContact CB-O 3.34Å; V136-E157 WeakPolarHBondContact CG1-OE1 3.32Å; V136-F193 HydrophobicContact CG2-CE1 3.81Å; V136-F193 HydrophobicContact CG2-CZ 3.92Å
137F97.5Very high96.2Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-139.8163.5169.272.6-84.4000110.2L118 L129 F130 V148 W149 Y151 I436 I444 I446L118-F137 HydrophobicContact CD1-CE1 4.23Å; L118-F137 HydrophobicContact CD1-CZ 3.69Å; L129-F137 CarbonylContact O-C 3.57Å; L129-F137 WeakPolarHBondContact O-CA 3.28Å; L129-F137 VanDerWaalsContact O-CB 3.3Å; L129-F137 WeakPolarHBondContact O-CB 3.48Å; F130-F137 HydrophobicContact CD1-CB 3.81Å; F130-F137 HydrophobicContact CE1-CB 4.33Å; F130-F137 HydrophobicContact CG-CB 4.33Å; F137-V148 WeakPolarHBondContact O-CA 3.3Å; F137-W149 HydrophobicContact CD1-CB 3.99Å; F137-W149 HydrophobicContact CE1-CB 3.46Å; F137-W149 VanDerWaalsContact CE1-CB 3.46Å; F137-W149 HydrophobicContact CE1-CG 4.16Å; F137-W149 HydrophobicContact CE2-CB 4.19Å; F137-W149 AromaticContact CE2-CD1 3.56Å; F137-W149 HydrophobicContact CE2-CG 4.05Å; F137-W149 HydrophobicContact CZ-CB 3.59Å; F137-W149 AromaticContact CZ-CD1 3.76Å; F137-W149 AromaticContact CZ-CG 3.76Å; F137-W149 HydrophobicContact CZ-CG 3.76Å; F137-W149 PolarHBondContact N-O 3Å; F137-W149 PolarHBondContact O-N 3.37Å; F137-Y151 HydrophobicContact CD1-CD1 4.45Å; F137-I436 HydrophobicContact CB-CD1 3.65Å; F137-I436 HydrophobicContact CD1-CG2 4.45Å; F137-I436 HydrophobicContact CD2-CD1 3.52Å; F137-I436 HydrophobicContact CE1-CG2 4.37Å; F137-I436 HydrophobicContact CE2-CD1 4.26Å; F137-I436 HydrophobicContact CG-CD1 3.65Å; F137-I436 HydrophobicContact CG-CG2 4.5Å; F137-I436 HydrophobicContact CZ-CG2 4.38Å; F137-I444 HydrophobicContact CE2-CD1 4.24Å; F137-I444 HydrophobicContact CE2-CG2 3.81Å; F137-I444 HydrophobicContact CZ-CG2 3.91Å; F137-I446 HydrophobicContact CE1-CD1 3.83Å; F137-I446 HydrophobicContact CE1-CG1 4.19Å; F137-I446 HydrophobicContact CZ-CD1 4.24Å; F137-I446 HydrophobicContact CZ-CG1 4.31Å
138V98.1Very high96.2Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-111.9146.1176.8-64.60000110.9V128 L129 I146 K147 V148 V170 F172 L179 F193V128-V138 WeakPolarHBondContact CA-O 3.23Å; L129-V138 HydrophobicContact CB-CG2 3.95Å; L129-V138 PolarHBondContact N-O 2.63Å; L129-V138 PolarHBondContact O-N 3.05Å; V138-I146 HydrophobicContact CB-CG2 4.07Å; V138-I146 HydrophobicContact CG1-CG2 4.44Å; V138-K147 CarbonylContact C-O 3.52Å; V138-K147 VanDerWaalsContact CA-O 3.23Å; V138-K147 WeakPolarHBondContact CA-O 3.33Å; V138-V148 HydrophobicContact CG1-CG2 4.2Å; V138-V170 HydrophobicContact CG2-CG2 3.9Å; V138-F172 HydrophobicContact CG1-CE2 4.21Å; V138-F172 HydrophobicContact CG1-CZ 3.68Å; V138-F172 HydrophobicContact CG2-CE2 3.75Å; V138-F172 HydrophobicContact CG2-CZ 4.03Å; V138-L179 HydrophobicContact CG1-CD2 4.37Å; V138-L179 HydrophobicContact CG2-CD1 4.13Å; V138-F193 HydrophobicContact CG1-CE2 3.65Å; V138-F193 HydrophobicContact CG1-CZ 4.09Å
139S98.3Very high96.2Very high0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-123.7132168.161.50000110.4H121 R127 I146 K147 W149 I444H121-S139 PolarHBondContact CD2-OG 2.57Å; H121-S139 PolarHBondContact NE2-O 3.27Å; H121-S139 PolarHBondContact NE2-OG 2.98Å; R127-S139 CarbonylContact O-C 3.58Å; R127-S139 VanDerWaalsContact O-CA 3.31Å; R127-S139 WeakPolarHBondContact O-CA 3.33Å; S139-I146 CarbonylContact O-C 3.58Å; S139-I146 VanDerWaalsContact O-CA 3.22Å; S139-I146 WeakPolarHBondContact O-CA 3.47Å; S139-K147 PolarHBondContact N-O 3.4Å; S139-K147 PolarHBondContact O-N 2.66Å; S139-W149 PolarHBondContact OG-NE1 3.24Å; S139-I444 WeakPolarHBondContact OG-CD1 3.28Å
140A98.3Very high96Very high0 Ų021.2 Ų21.20%011%0.107CC..EExtended strand (participates in β ladder)trans-104.2150.7172.100000109.8I125 T126 R127 I146 V167 V170I125-A140 WeakPolarHBondContact CA-O 3.25Å; I125-A140 WeakPolarHBondContact CG2-O 3.4Å; T126-A140 PolarHBondContact N-O 3.46Å; T126-A140 VanDerWaalsContact OG1-C 3.24Å; T126-A140 PolarHBondContact OG1-O 3.27Å; T126-A140 VanDerWaalsContact OG1-O 3.13Å; R127-A140 HydrophobicContact CB-CB 4.08Å; R127-A140 PolarHBondContact N-O 2.79Å; R127-A140 PolarHBondContact O-N 2.88Å; A140-I146 HydrophobicContact CB-CG1 4.35Å; A140-V167 HydrophobicContact CB-CB 4Å; A140-V167 HydrophobicContact CB-CG1 3.68Å; A140-V170 HydrophobicContact CB-CG1 3.9Å
141S98.2Very high95.8Very high0 Ų020.9 Ų20.90%011%0.106CC..EExtended strand (participates in β ladder)trans-144.2161.6-176.7174.90000112.5H121 S123 P124 D143 A144 S145 V167H121-S141 VanDerWaalsContact CE1-CB 3.47Å; H121-S141 WeakPolarHBondContact CE1-CB 3.41Å; H121-S141 WeakPolarHBondContact ND1-CB 3.19Å; S123-S141 PolarHBondContact O-OG 2.84Å; P124-S141 VanDerWaalsContact O-CA 3.29Å; P124-S141 WeakPolarHBondContact O-CA 3.38Å; P124-S141 WeakPolarHBondContact O-CB 3.47Å; P124-S141 PolarHBondContact O-OG 2.86Å; S141-D143 WeakPolarHBondContact CB-OD1 3.33Å; S141-D143 PolarHBondContact O-N 2.86Å; S141-D143 PolarHBondContact OG-N 3.45Å; S141-D143 PolarHBondContact OG-OD1 3.46Å; S141-A144 PolarHBondContact O-N 3.31Å; S141-S145 PolarHBondContact N-O 3.19Å; S141-V167 PolarHBondContact O-N 2.77Å; S141-V167 VanDerWaalsContact O-N 3.08Å
142E98.4Very high95.6Very high94 Ų9423.3 Ų23.344%0.43912%0.117SC..THydrogen-bonded Turntrans-62.6-14168.5-63.8-174.8172.200113.1P124 T126 A144 S166P124-E142 HydrophobicContact CB-CG 4.2Å; P124-E142 WeakPolarHBondContact CD-OE2 3.38Å; P124-E142 WeakPolarHBondContact CG-OE2 3.47Å; P124-E142 PolarHBondContact O-N 2.75Å; T126-E142 HydrophobicContact CG2-CG 3.64Å; E142-A144 PolarHBondContact O-N 2.97Å; E142-S166 WeakPolarHBondContact CA-OG 3.34Å; E142-S166 PolarHBondContact O-OG 2.95Å
143D97.7Very high95.6Very high40 Ų4024 Ų2421%0.21412%0.12CC..THydrogen-bonded Turntrans-7614.3174.771.112.5000114.2H121 R122 S141 S145H121-D143 WeakPolarHBondContact CA-OD2 3.44Å; H121-D143 IonicContact CE1-OD1 3.02Å; H121-D143 IonicContact CG-OD2 2.93Å; H121-D143 IonicContact ND1-OD1 2.79Å; H121-D143 PolarHBondContact ND1-OD1 3.47Å; H121-D143 IonicContact ND1-OD2 3.9Å; H121-D143 PolarHBondContact ND1-OD2 2.79Å; R122-D143 HydrophobicContact CB-CB 4.18Å; R122-D143 PolarHBondContact N-OD2 3.04Å; S141-D143 WeakPolarHBondContact CB-OD1 3.33Å; S141-D143 PolarHBondContact O-N 2.86Å; S141-D143 PolarHBondContact OG-N 3.45Å; S141-D143 PolarHBondContact OG-OD1 3.46Å; D143-S145 VanDerWaalsContact CG-OG 3.3Å; D143-S145 PolarHBondContact O-N 2.62Å; D143-S145 WeakPolarHBondContact OD1-CA 3.45Å; D143-S145 VanDerWaalsContact OD1-CB 3.23Å; D143-S145 WeakPolarHBondContact OD1-CB 3.46Å; D143-S145 PolarHBondContact OD1-N 3.27Å; D143-S145 PolarHBondContact OD1-OG 3.34Å; D143-S145 PolarHBondContact OD2-OG 3.45Å
144A98Very high95.8Very high21 Ų2120.2 Ų20.217%0.17411%0.106CC..SBendtrans61.513.6-177.100000115.1S141 E142 D165S141-A144 PolarHBondContact O-N 3.31Å; E142-A144 PolarHBondContact O-N 2.97Å; A144-D165 WeakPolarHBondContact CA-O 3.27Å; A144-D165 VanDerWaalsContact CB-O 3.3Å; A144-D165 WeakPolarHBondContact CB-O 3.47Å
145S97.2Very high96Very high11 Ų1123.9 Ų23.98%0.07713%0.126CC..EExtended strand (participates in β ladder)trans-112.9152.9-179.681.20000113.4H121 S141 D143H121-S145 PolarHBondContact CE1-OG 3.29Å; H121-S145 PolarHBondContact ND1-OG 2.82Å; S141-S145 PolarHBondContact N-O 3.19Å; D143-S145 VanDerWaalsContact CG-OG 3.3Å; D143-S145 PolarHBondContact O-N 2.62Å; D143-S145 WeakPolarHBondContact OD1-CA 3.45Å; D143-S145 VanDerWaalsContact OD1-CB 3.23Å; D143-S145 WeakPolarHBondContact OD1-CB 3.46Å; D143-S145 PolarHBondContact OD1-N 3.27Å; D143-S145 PolarHBondContact OD1-OG 3.34Å; D143-S145 PolarHBondContact OD2-OG 3.45Å
146I98.3Very high96.1Very high1 Ų128 Ų281%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-117.1126.6167.3-56.8159.9000107.3V138 S139 A140 T159 L160 V167 V170 L179V138-I146 HydrophobicContact CB-CG2 4.07Å; V138-I146 HydrophobicContact CG1-CG2 4.44Å; S139-I146 CarbonylContact O-C 3.58Å; S139-I146 VanDerWaalsContact O-CA 3.22Å; S139-I146 WeakPolarHBondContact O-CA 3.47Å; A140-I146 HydrophobicContact CB-CG1 4.35Å; I146-T159 CarbonylContact O-C 3.56Å; I146-T159 WeakPolarHBondContact O-CA 3.17Å; I146-L160 HydrophobicContact CB-CB 4.17Å; I146-L160 HydrophobicContact CB-CD1 4.42Å; I146-L160 HydrophobicContact CG2-CD1 4.24Å; I146-L160 PolarHBondContact N-O 3.2Å; I146-L160 PolarHBondContact O-N 2.7Å; I146-V167 HydrophobicContact CD1-CG1 4.1Å; I146-V167 HydrophobicContact CG1-CB 4.48Å; I146-V167 HydrophobicContact CG1-CG1 3.98Å; I146-V167 HydrophobicContact CG1-CG2 4.18Å; I146-V170 HydrophobicContact CD1-CG1 4.01Å; I146-V170 HydrophobicContact CG1-CG1 4.3Å; I146-L179 HydrophobicContact CG2-CD2 4.22Å
147K98.1Very high96Very high27 Ų2731.2 Ų31.212%0.11716%0.158CC..EExtended strand (participates in β ladder)trans-109.5146.4178.7-68.4-179.2176.2-72.20110.8G120 V138 S139 W149 F156 H158 T159G120-K147 VanDerWaalsContact O-CE 3.26Å; G120-K147 WeakPolarHBondContact O-CE 3.29Å; V138-K147 CarbonylContact C-O 3.52Å; V138-K147 VanDerWaalsContact CA-O 3.23Å; V138-K147 WeakPolarHBondContact CA-O 3.33Å; S139-K147 PolarHBondContact N-O 3.4Å; S139-K147 PolarHBondContact O-N 2.66Å; K147-W149 HydrophobicContact CB-CZ2 3.83Å; K147-W149 HydrophobicContact CD-CH2 4.14Å; K147-W149 HydrophobicContact CD-CZ2 3.51Å; K147-W149 HydrophobicContact CG-CZ2 4.32Å; K147-F156 HydrophobicContact CB-CE2 4.24Å; K147-F156 HydrophobicContact CD-CD2 4.44Å; K147-F156 HydrophobicContact CD-CE2 4.21Å; K147-F156 HydrophobicContact CG-CE2 4.06Å; K147-H158 CarbonylContact C-O 3.53Å; K147-H158 WeakPolarHBondContact CA-O 3.44Å; K147-T159 HydrophobicContact CG-CG2 4.34Å; K147-T159 PolarHBondContact NZ-OG1 2.58Å
148V97.6Very high95.9Very high0 Ų035.2 Ų35.20%018%0.176CC..EExtended strand (participates in β ladder)trans-110.8134.1176.8-172.10000108.1V136 F137 V138 E157 H158 F193 Y196V136-V148 HydrophobicContact CB-CG1 4.2Å; V136-V148 HydrophobicContact CG2-CG1 4.43Å; F137-V148 WeakPolarHBondContact O-CA 3.3Å; V138-V148 HydrophobicContact CG1-CG2 4.2Å; V148-E157 HydrophobicContact CB-CB 4.33Å; V148-E157 HydrophobicContact CG1-CB 4.28Å; V148-E157 PolarHBondContact O-N 2.58Å; V148-H158 HydrophobicContact CB-CB 4.24Å; V148-H158 HydrophobicContact CG2-CB 4.2Å; V148-H158 PolarHBondContact N-O 2.99Å; V148-H158 PolarHBondContact O-N 2.82Å; V148-F193 HydrophobicContact CG1-CE2 4.36Å; V148-F193 HydrophobicContact CG1-CZ 3.82Å; V148-F193 HydrophobicContact CG2-CE2 3.93Å; V148-F193 HydrophobicContact CG2-CZ 4.25Å; V148-Y196 HydrophobicContact CG1-CE1 4.44Å; V148-Y196 HydrophobicContact CG2-CD1 4.33Å; V148-Y196 HydrophobicContact CG2-CE1 4.02Å
149W97.4Very high95.8Very high11 Ų1136.7 Ų36.74%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-136144.4-175.7-47.687.2000110.3L118 V136 F137 S139 K147 E155 F156 I444L118-W149 HydrophobicContact CB-CE3 4.38Å; L118-W149 HydrophobicContact CB-CH2 4.41Å; L118-W149 HydrophobicContact CB-CZ3 4.16Å; L118-W149 HydrophobicContact CD1-CB 4.13Å; L118-W149 HydrophobicContact CD1-CD2 3.75Å; L118-W149 HydrophobicContact CD1-CE3 3.61Å; L118-W149 HydrophobicContact CD1-CG 4Å; L118-W149 HydrophobicContact CD1-CZ3 4.21Å; V136-W149 CarbonylContact C-O 3.57Å; V136-W149 WeakPolarHBondContact CA-O 3.22Å; V136-W149 WeakPolarHBondContact CB-O 3.34Å; F137-W149 HydrophobicContact CD1-CB 3.99Å; F137-W149 HydrophobicContact CE1-CB 3.46Å; F137-W149 VanDerWaalsContact CE1-CB 3.46Å; F137-W149 HydrophobicContact CE1-CG 4.16Å; F137-W149 HydrophobicContact CE2-CB 4.19Å; F137-W149 AromaticContact CE2-CD1 3.56Å; F137-W149 HydrophobicContact CE2-CG 4.05Å; F137-W149 HydrophobicContact CZ-CB 3.59Å; F137-W149 AromaticContact CZ-CD1 3.76Å; F137-W149 AromaticContact CZ-CG 3.76Å; F137-W149 HydrophobicContact CZ-CG 3.76Å; F137-W149 PolarHBondContact N-O 3Å; F137-W149 PolarHBondContact O-N 3.37Å; S139-W149 PolarHBondContact OG-NE1 3.24Å; K147-W149 HydrophobicContact CB-CZ2 3.83Å; K147-W149 HydrophobicContact CD-CH2 4.14Å; K147-W149 HydrophobicContact CD-CZ2 3.51Å; K147-W149 HydrophobicContact CG-CZ2 4.32Å; W149-E155 WeakPolarHBondContact CA-O 3.41Å; W149-F156 HydrophobicContact CE3-CB 3.77Å; W149-F156 HydrophobicContact CE3-CD2 4.3Å; W149-F156 HydrophobicContact CH2-CB 4.5Å; W149-F156 HydrophobicContact CH2-CD2 4.3Å; W149-F156 HydrophobicContact CZ3-CB 3.66Å; W149-F156 HydrophobicContact CZ3-CD2 4.18Å; W149-F156 HydrophobicContact CZ3-CG 4.38Å; W149-I444 HydrophobicContact CZ2-CD1 4.13Å
150D94.4Very high95.7Very high19 Ų1936.9 Ų36.910%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-83.4121.5166.4-178.6-40.4000108.3K61 E152 T153 G154 E155K61-D150 IonicContact NZ-OD2 3.82Å; D150-E152 WeakPolarHBondContact OD1-CA 3.32Å; D150-E152 VanDerWaalsContact OD1-CB 3.3Å; D150-E152 WeakPolarHBondContact OD1-CB 3.42Å; D150-E152 PolarHBondContact OD1-N 3.32Å; D150-T153 WeakPolarHBondContact CB-OG1 3.25Å; D150-T153 PolarHBondContact OD1-N 2.97Å; D150-T153 VanDerWaalsContact OD1-N 3.08Å; D150-G154 WeakPolarHBondContact O-CA 3.34Å; D150-G154 PolarHBondContact O-N 3.27Å; D150-E155 PolarHBondContact N-O 3.13Å
151Y93.7Very high95.4Very high5 Ų545 Ų452%0.0222%0.222CC..THydrogen-bonded Turntrans-80.7-14.9-177.960-106.4000114F130 N135 F137 N429 A432 Y434F130-Y151 AromaticContact CD1-CD1 3.66Å; F130-Y151 HydrophobicContact CD1-CD1 3.66Å; F130-Y151 AromaticContact CD1-CE1 3.89Å; F130-Y151 HydrophobicContact CD1-CE1 3.89Å; F130-Y151 HydrophobicContact CD1-CG 4.41Å; F130-Y151 AromaticContact CE1-CD1 3.51Å; F130-Y151 HydrophobicContact CE1-CD1 3.51Å; F130-Y151 HydrophobicContact CE1-CE1 4.01Å; F130-Y151 AromaticContact CE1-CG 3.8Å; F130-Y151 HydrophobicContact CE1-CG 3.8Å; N135-Y151 VanDerWaalsContact C-CD1 3.4Å; N135-Y151 VanDerWaalsContact CA-CZ 3.47Å; N135-Y151 WeakPolarHBondContact CA-OH 3.32Å; N135-Y151 HydrophobicContact CB-CE1 4.11Å; N135-Y151 HydrophobicContact CB-CE2 4.35Å; N135-Y151 WeakPolarHBondContact O-CD1 3.46Å; N135-Y151 PolarHBondContact O-N 3.05Å; N135-Y151 PolarHBondContact OD1-OH 3.23Å; F137-Y151 HydrophobicContact CD1-CD1 4.45Å; Y151-N429 WeakPolarHBondContact CE1-ND2 3.23Å; Y151-N429 VanDerWaalsContact CZ-ND2 3.3Å; Y151-N429 PolarHBondContact OH-ND2 3.2Å; Y151-A432 HydrophobicContact CE2-CB 4.46Å; Y151-Y434 AromaticContact CD2-CD2 3.63Å; Y151-Y434 HydrophobicContact CD2-CD2 3.63Å; Y151-Y434 AromaticContact CD2-CE2 3.91Å; Y151-Y434 HydrophobicContact CD2-CE2 3.91Å; Y151-Y434 HydrophobicContact CD2-CG 4.24Å; Y151-Y434 AromaticContact CE2-CD2 3.59Å; Y151-Y434 HydrophobicContact CE2-CD2 3.59Å; Y151-Y434 AromaticContact CE2-CE2 3.83Å; Y151-Y434 HydrophobicContact CE2-CE2 3.83Å
152E91.6Very high95.2Very high55 Ų5546.8 Ų46.826%0.25724%0.241SC..THydrogen-bonded Turntrans-80.3-41.8178-62.3-174.8148.500111.1K61 K115 F116 N135 D150K61-E152 VanDerWaalsContact CE-OE2 3.26Å; K61-E152 WeakPolarHBondContact CE-OE2 3.34Å; K61-E152 IonicContact NZ-OE2 3.72Å; K61-E152 PolarHBondContact NZ-OE2 2.79Å; K115-E152 PolarHBondContact NZ-O 3.21Å; K115-E152 VanDerWaalsContact NZ-O 3.15Å; F116-E152 WeakPolarHBondContact CE2-O 2.95Å; N135-E152 HydrophobicContact CB-CG 4.24Å; N135-E152 PolarHBondContact ND2-OE1 3.01Å; N135-E152 PolarHBondContact ND2-OE2 2.82Å; D150-E152 WeakPolarHBondContact OD1-CA 3.32Å; D150-E152 VanDerWaalsContact OD1-CB 3.3Å; D150-E152 WeakPolarHBondContact OD1-CB 3.42Å; D150-E152 PolarHBondContact OD1-N 3.32Å
153T92.1Very high95.1Very high57 Ų5743 Ų4335%0.3522%0.223SC..THydrogen-bonded Turntrans-96.4-23.6-179.266.40000113.3F116 D150 E155F116-T153 WeakPolarHBondContact CZ-O 3.39Å; D150-T153 WeakPolarHBondContact CB-OG1 3.25Å; D150-T153 PolarHBondContact OD1-N 2.97Å; D150-T153 VanDerWaalsContact OD1-N 3.08Å; T153-E155 VanDerWaalsContact C-N 3.25Å; T153-E155 WeakPolarHBondContact OG1-CB 3.31Å; T153-E155 WeakPolarHBondContact OG1-CG 3.27Å; T153-E155 PolarHBondContact OG1-N 3.22Å
154G92.1Very high95.1Very high14 Ų1446.8 Ų46.814%0.14425%0.248CC..  trans76.612.3-172.900000113.3L118 D150L118-G154 VanDerWaalsContact CD2-O 3.27Å; L118-G154 WeakPolarHBondContact CD2-O 3.24Å; D150-G154 WeakPolarHBondContact O-CA 3.34Å; D150-G154 PolarHBondContact O-N 3.27Å
155E92.5Very high95.1Very high130 Ų13049.4 Ų49.461%0.60726%0.259SS*.  trans-84.1147.6-176.8-67.2-179.9158.300112.3W149 D150 T153W149-E155 WeakPolarHBondContact CA-O 3.41Å; D150-E155 PolarHBondContact N-O 3.13Å; T153-E155 VanDerWaalsContact C-N 3.25Å; T153-E155 WeakPolarHBondContact OG1-CB 3.31Å; T153-E155 WeakPolarHBondContact OG1-CG 3.27Å; T153-E155 PolarHBondContact OG1-N 3.22Å
156F94.8Very high95.2Very high102 Ų10249.8 Ų49.845%0.44726%0.261SS..EExtended strand (participates in β ladder)trans-79.7128.1171.6166.2-99.4000110.1K147 W149 H158 T159K147-F156 HydrophobicContact CB-CE2 4.24Å; K147-F156 HydrophobicContact CD-CD2 4.44Å; K147-F156 HydrophobicContact CD-CE2 4.21Å; K147-F156 HydrophobicContact CG-CE2 4.06Å; W149-F156 HydrophobicContact CE3-CB 3.77Å; W149-F156 HydrophobicContact CE3-CD2 4.3Å; W149-F156 HydrophobicContact CH2-CB 4.5Å; W149-F156 HydrophobicContact CH2-CD2 4.3Å; W149-F156 HydrophobicContact CZ3-CB 3.66Å; W149-F156 HydrophobicContact CZ3-CD2 4.18Å; W149-F156 HydrophobicContact CZ3-CG 4.38Å; F156-H158 VanDerWaalsContact CE2-C 3.46Å; F156-H158 WeakPolarHBondContact CE2-O 3.41Å; F156-H158 VanDerWaalsContact CZ-C 3.44Å; F156-T159 VanDerWaalsContact CE2-OG1 3.24Å; F156-T159 WeakPolarHBondContact CE2-OG1 3.49Å; F156-T159 WeakPolarHBondContact CZ-OG1 3.31Å
157E92.4Very high95.2Very high69 Ų6949.7 Ų49.732%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-101.1-55.2178.7-66-165.7164.200112.6V136 V148V136-E157 WeakPolarHBondContact CG1-OE1 3.32Å; V148-E157 HydrophobicContact CB-CB 4.33Å; V148-E157 HydrophobicContact CG1-CB 4.28Å; V148-E157 PolarHBondContact O-N 2.58Å
158H94.6Very high95.2Very high84 Ų8450.6 Ų50.639%0.38927%0.265SS..EExtended strand (participates in β ladder)trans-152.6156-167.9-130.4-82000112.5K147 V148 F156 Y196K147-H158 CarbonylContact C-O 3.53Å; K147-H158 WeakPolarHBondContact CA-O 3.44Å; V148-H158 HydrophobicContact CB-CB 4.24Å; V148-H158 HydrophobicContact CG2-CB 4.2Å; V148-H158 PolarHBondContact N-O 2.99Å; V148-H158 PolarHBondContact O-N 2.82Å; F156-H158 VanDerWaalsContact CE2-C 3.46Å; F156-H158 WeakPolarHBondContact CE2-O 3.41Å; F156-H158 VanDerWaalsContact CZ-C 3.44Å; H158-Y196 HydrophobicContact CB-CD1 4.32Å; H158-Y196 HydrophobicContact CB-CE1 4.38Å; H158-Y196 HydrophobicContact CB-CG 4.44Å; H158-Y196 AromaticContact CD2-CD2 3.91Å
159T96Very high95.3Very high31 Ų3150.9 Ų50.919%0.1927%0.267CS..EExtended strand (participates in β ladder)trans-119.5128.5167.8-58.80000109.4I146 K147 F156 K161I146-T159 CarbonylContact O-C 3.56Å; I146-T159 WeakPolarHBondContact O-CA 3.17Å; K147-T159 HydrophobicContact CG-CG2 4.34Å; K147-T159 PolarHBondContact NZ-OG1 2.58Å; F156-T159 VanDerWaalsContact CE2-OG1 3.24Å; F156-T159 WeakPolarHBondContact CE2-OG1 3.49Å; F156-T159 WeakPolarHBondContact CZ-OG1 3.31Å; T159-K161 HydrophobicContact CG2-CG 3.77Å
160L96Very high95.3Very high4 Ų450.4 Ų50.42%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-89.9118167.4-51.8175.1000108.1I146 L179 W191 Y196I146-L160 HydrophobicContact CB-CB 4.17Å; I146-L160 HydrophobicContact CB-CD1 4.42Å; I146-L160 HydrophobicContact CG2-CD1 4.24Å; I146-L160 PolarHBondContact N-O 3.2Å; I146-L160 PolarHBondContact O-N 2.7Å; L160-L179 HydrophobicContact CD1-CD2 3.55Å; L160-W191 HydrophobicContact CB-CD2 4.43Å; L160-W191 HydrophobicContact CB-CE3 4.1Å; L160-W191 HydrophobicContact CB-CH2 4.39Å; L160-W191 HydrophobicContact CB-CZ3 4.08Å; L160-W191 HydrophobicContact CD1-CB 4.41Å; L160-W191 HydrophobicContact CD1-CD2 4.2Å; L160-W191 HydrophobicContact CD1-CE3 4.43Å; L160-W191 HydrophobicContact CD1-CG 4.17Å; L160-W191 HydrophobicContact CD2-CE3 4.31Å; L160-Y196 HydrophobicContact CD2-CD1 4Å; L160-Y196 HydrophobicContact CD2-CG 4.29Å; L160-Y196 WeakPolarHBondContact CD2-O 3.32Å
161K92.2Very high95.5Very high169 Ų16950.1 Ų50.174%0.73527%0.265SS*.EExtended strand (participates in β ladder)trans-116.1141.1177.4-63.7-173.3178.4178.90109.5T159 W191T159-K161 HydrophobicContact CG2-CG 3.77Å; K161-W191 WeakPolarHBondContact O-CH2 3.47Å
162G93.8Very high95.7Very high39 Ų3951 Ų5140%0.40227%0.269SS..  trans161.2-22.6175.100000114K189G162-K189 WeakPolarHBondContact O-CE 3.39Å
163H97.8Very high95.9Very high14 Ų1448.9 Ų48.97%0.06526%0.26CS..  trans-69.5149.3164.7-80.2-63.4000110.5V167 S181 S183 D185H163-V167 HydrophobicContact CB-CG2 4Å; H163-S181 PolarHBondContact CD2-OG 3.42Å; H163-S181 PolarHBondContact NE2-OG 2.81Å; H163-S183 VanDerWaalsContact CE1-CB 3.48Å; H163-S183 WeakPolarHBondContact CE1-CB 3.35Å; H163-S183 WeakPolarHBondContact ND1-CB 3.39Å; H163-D185 VanDerWaalsContact CA-OD2 3.3Å; H163-D185 WeakPolarHBondContact CA-OD2 3.37Å; H163-D185 WeakPolarHBondContact CB-OD2 3.22Å; H163-D185 IonicContact CE1-OD1 3.93Å; H163-D185 IonicContact CE1-OD2 3.3Å; H163-D185 IonicContact CG-OD2 2.73Å; H163-D185 IonicContact ND1-OD1 3.15Å; H163-D185 PolarHBondContact ND1-OD1 2.73Å; H163-D185 IonicContact ND1-OD2 3.42Å; H163-D185 PolarHBondContact ND1-OD2 2.96Å
164T97.6Very high96Very high120 Ų12049.4 Ų49.474%0.73626%0.264SS*.SBendtrans-106.3-6.3-177.955.20000113.2D185T164-D185 PolarHBondContact N-OD2 2.72Å; T164-D185 VanDerWaalsContact OG1-CB 3.29Å; T164-D185 WeakPolarHBondContact OG1-CB 3.48Å
165D98Very high96Very high75 Ų7551.9 Ų51.940%0.40128%0.28SS..SBendtrans-146.8176.5176.6-159.6-11.1000109.4A144 V167 S183 A184 D185A144-D165 WeakPolarHBondContact CA-O 3.27Å; A144-D165 VanDerWaalsContact CB-O 3.3Å; A144-D165 WeakPolarHBondContact CB-O 3.47Å; D165-V167 PolarHBondContact O-N 2.85Å; D165-S183 VanDerWaalsContact C-OG 3.25Å; D165-S183 PolarHBondContact O-OG 3.42Å; D165-A184 HydrophobicContact CB-CB 3.96Å; D165-A184 WeakPolarHBondContact OD2-CB 3.45Å; D165-D185 HydrophobicContact CB-CB 4.02Å
166S98.2Very high96Very high19 Ų1945.8 Ų45.813%0.13325%0.252CS..  trans-43.7117.6-176.7-61.20000113.5E142 Q168 S183 A184E142-S166 WeakPolarHBondContact CA-OG 3.34Å; E142-S166 PolarHBondContact O-OG 2.95Å; S166-Q168 PolarHBondContact O-N 2.96Å; S166-Q168 PolarHBondContact O-NE2 2.88Å; S166-S183 VanDerWaalsContact O-CA 3.28Å; S166-S183 WeakPolarHBondContact O-CA 3.4Å; S166-S183 WeakPolarHBondContact O-CB 3.38Å; S166-S183 PolarHBondContact O-OG 3.41Å; S166-A184 PolarHBondContact O-N 3.2Å
167V98.6Very high96Very high0 Ų045.6 Ų45.60%025%0.251CS..EExtended strand (participates in β ladder)trans-74.4122.3173.9-173.70000108.1T126 A140 S141 I146 H163 D165 V170 C182T126-V167 VanDerWaalsContact CB-O 3.27Å; T126-V167 WeakPolarHBondContact CB-O 3.35Å; T126-V167 VanDerWaalsContact CG2-O 3.32Å; T126-V167 WeakPolarHBondContact CG2-O 3.42Å; T126-V167 PolarHBondContact OG1-O 3.22Å; A140-V167 HydrophobicContact CB-CB 4Å; A140-V167 HydrophobicContact CB-CG1 3.68Å; S141-V167 PolarHBondContact O-N 2.77Å; S141-V167 VanDerWaalsContact O-N 3.08Å; I146-V167 HydrophobicContact CD1-CG1 4.1Å; I146-V167 HydrophobicContact CG1-CB 4.48Å; I146-V167 HydrophobicContact CG1-CG1 3.98Å; I146-V167 HydrophobicContact CG1-CG2 4.18Å; H163-V167 HydrophobicContact CB-CG2 4Å; D165-V167 PolarHBondContact O-N 2.85Å; V167-V170 HydrophobicContact CG1-CG1 4.18Å; V167-C182 CarbonylContact C-O 3.57Å; V167-C182 WeakPolarHBondContact CA-O 3.28Å; V167-C182 WeakPolarHBondContact CG1-O 3.45Å
168Q98.3Very high96.2Very high45 Ų4544.6 Ų44.621%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-93-42.8-171.2-62.4-65-52.400112.9S166 C182 V209S166-Q168 PolarHBondContact O-N 2.96Å; S166-Q168 PolarHBondContact O-NE2 2.88Å; Q168-C182 PolarHBondContact N-O 2.94Å; Q168-V209 VanDerWaalsContact CB-O 3.29Å; Q168-V209 WeakPolarHBondContact CB-O 3.31Å; Q168-V209 VanDerWaalsContact CG-O 3.24Å; Q168-V209 WeakPolarHBondContact CG-O 3.23Å
169D98.3Very high96.4Very high7 Ų740.6 Ų40.64%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-149.3156.7-177.6-163.99.9000109.8R127 S181 C182 S211 V212 R255R127-D169 VanDerWaalsContact CD-OD1 3.26Å; R127-D169 WeakPolarHBondContact CD-OD1 3.45Å; R127-D169 WeakPolarHBondContact CG-OD1 3.49Å; R127-D169 IonicContact CZ-OD1 2.84Å; R127-D169 IonicContact NE-OD1 2.96Å; R127-D169 PolarHBondContact NE-OD1 3.31Å; R127-D169 IonicContact NH2-OD1 3.63Å; D169-S181 WeakPolarHBondContact O-CA 3.33Å; D169-C182 PolarHBondContact O-N 3.4Å; D169-S211 WeakPolarHBondContact OD2-CA 3.22Å; D169-S211 PolarHBondContact OD2-OG 3.14Å; D169-V212 HydrophobicContact CB-CG1 4.17Å; D169-V212 PolarHBondContact OD2-N 2.97Å; D169-R255 IonicContact OD1-NH2 3.69Å; D169-R255 IonicContact OD2-CZ 2.78Å; D169-R255 IonicContact OD2-NH1 3.26Å; D169-R255 PolarHBondContact OD2-NH1 3.35Å; D169-R255 IonicContact OD2-NH2 2.74Å; D169-R255 PolarHBondContact OD2-NH2 3.07Å; D169-R255 VanDerWaalsContact OD2-NH2 3.13Å
170V98.4Very high96.5Very high1 Ų139.1 Ų39.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-138148.4176.5-67.60000110.1R127 L129 V138 A140 I146 V167 L179 A180R127-V170 HydrophobicContact CB-CG2 4.09Å; R127-V170 HydrophobicContact CG-CG2 3.72Å; L129-V170 HydrophobicContact CB-CG2 4.18Å; L129-V170 HydrophobicContact CD2-CG2 4.43Å; V138-V170 HydrophobicContact CG2-CG2 3.9Å; A140-V170 HydrophobicContact CB-CG1 3.9Å; I146-V170 HydrophobicContact CD1-CG1 4.01Å; I146-V170 HydrophobicContact CG1-CG1 4.3Å; V167-V170 HydrophobicContact CG1-CG1 4.18Å; V170-L179 HydrophobicContact CB-CD1 4.23Å; V170-A180 CarbonylContact C-O 3.54Å; V170-A180 VanDerWaalsContact CA-O 3.25Å; V170-A180 WeakPolarHBondContact CA-O 3.41Å
171A98.2Very high96.6Very high12 Ų1238.9 Ų38.910%0.09922%0.216CC..EExtended strand (participates in β ladder)trans-142.9138.8176.500000110.1A180 V212 F214A171-A180 PolarHBondContact N-O 2.84Å; A171-A180 PolarHBondContact O-N 2.8Å; A171-V212 HydrophobicContact CB-CG1 4.26Å; A171-F214 HydrophobicContact CB-CD2 4.1Å; A171-F214 HydrophobicContact CB-CE2 4.49Å; A171-F214 WeakPolarHBondContact O-CE2 3.26Å
172F98Very high96.9Very high23 Ų2330.9 Ų30.910%0.10118%0.181CC..EExtended strand (participates in β ladder)trans-87.4148.1166.2-77.2-70.8000110.2L129 F130 H131 P132 V138 L179 F193 F214L129-F172 HydrophobicContact CD2-CD2 3.54Å; L129-F172 HydrophobicContact CD2-CE2 4.17Å; L129-F172 HydrophobicContact CD2-CG 4.37Å; L129-F172 HydrophobicContact CG-CD2 3.98Å; L129-F172 HydrophobicContact CG-CE2 4.37Å; F130-F172 WeakPolarHBondContact O-CD2 3.43Å; H131-F172 HydrophobicContact CB-CE2 4Å; H131-F172 HydrophobicContact CB-CZ 4Å; H131-F172 AromaticContact CD2-CE1 3.54Å; H131-F172 AromaticContact CD2-CZ 3.76Å; P132-F172 HydrophobicContact CG-CB 4.47Å; V138-F172 HydrophobicContact CG1-CE2 4.21Å; V138-F172 HydrophobicContact CG1-CZ 3.68Å; V138-F172 HydrophobicContact CG2-CE2 3.75Å; V138-F172 HydrophobicContact CG2-CZ 4.03Å; F172-L179 HydrophobicContact CD1-CB 4.24Å; F172-L179 HydrophobicContact CD1-CD1 3.8Å; F172-L179 HydrophobicContact CD2-CD1 4.25Å; F172-L179 HydrophobicContact CE1-CB 4.08Å; F172-L179 HydrophobicContact CE1-CD1 3.65Å; F172-L179 HydrophobicContact CE1-CG 4.4Å; F172-L179 HydrophobicContact CE2-CD1 4.11Å; F172-L179 HydrophobicContact CG-CD1 4.1Å; F172-L179 HydrophobicContact CZ-CD1 3.82Å; F172-F193 HydrophobicContact CE1-CB 4.46Å; F172-F193 HydrophobicContact CE1-CD1 4.07Å; F172-F193 AromaticContact CE1-CD2 3.67Å; F172-F193 HydrophobicContact CE1-CD2 3.67Å; F172-F193 HydrophobicContact CE1-CE1 4.21Å; F172-F193 AromaticContact CE1-CE2 3.82Å; F172-F193 HydrophobicContact CE1-CE2 3.82Å; F172-F193 AromaticContact CE1-CG 3.8Å; F172-F193 HydrophobicContact CE1-CG 3.8Å; F172-F193 HydrophobicContact CE1-CZ 4.08Å; F172-F193 HydrophobicContact CZ-CD2 4.15Å; F172-F193 HydrophobicContact CZ-CE1 4.31Å; F172-F193 AromaticContact CZ-CE2 3.8Å; F172-F193 HydrophobicContact CZ-CE2 3.8Å; F172-F193 AromaticContact CZ-CZ 3.88Å; F172-F193 HydrophobicContact CZ-CZ 3.88Å; F172-F214 VanDerWaalsContact O-CD2 3.29Å; F172-F214 WeakPolarHBondContact O-CD2 3.25Å
173D96.2Very high97.1Very high12 Ų1229 Ų296%0.06416%0.162CC..  trans-70.2162.4165.186-70.4000110.4S175 G176 K177 F178 F214D173-S175 PolarHBondContact O-N 3.1Å; D173-S175 VanDerWaalsContact O-N 3.12Å; D173-S175 WeakPolarHBondContact OD2-CA 3.36Å; D173-S175 VanDerWaalsContact OD2-CB 3.22Å; D173-S175 WeakPolarHBondContact OD2-CB 3.37Å; D173-S175 PolarHBondContact OD2-N 2.79Å; D173-S175 PolarHBondContact OD2-OG 3.02Å; D173-G176 PolarHBondContact O-N 3.04Å; D173-G176 VanDerWaalsContact OD1-CA 3.32Å; D173-G176 WeakPolarHBondContact OD1-CA 3.32Å; D173-G176 PolarHBondContact OD1-N 3.03Å; D173-K177 PolarHBondContact OD1-N 2.93Å; D173-F178 HydrophobicContact CB-CB 4.2Å; D173-F178 PolarHBondContact N-O 2.79Å; D173-F178 PolarHBondContact OD1-N 2.9Å; D173-F178 VanDerWaalsContact OD1-O 3.13Å; D173-F214 HydrophobicContact CB-CD1 3.93Å; D173-F214 HydrophobicContact CB-CD2 4.08Å; D173-F214 HydrophobicContact CB-CE1 3.89Å; D173-F214 HydrophobicContact CB-CE2 4.03Å; D173-F214 HydrophobicContact CB-CG 4.01Å; D173-F214 HydrophobicContact CB-CZ 3.93Å
174P93.7Very high97.2Very high68 Ų6828.6 Ų28.644%0.44216%0.162SC..THydrogen-bonded Turntrans-56.5-28.4179.8-25.934.7000114.8P216P174-P216 WeakPolarHBondContact CG-O 3.45Å
175S92.4Very high97.2Very high66 Ų6624 Ų2446%0.46213%0.132SC..THydrogen-bonded Turntrans-86.4-11.1177.278.40000114.1H133 D173 K177H133-S175 PolarHBondContact CD2-O 2.73Å; H133-S175 VanDerWaalsContact CD2-O 3.26Å; D173-S175 PolarHBondContact O-N 3.1Å; D173-S175 VanDerWaalsContact O-N 3.12Å; D173-S175 WeakPolarHBondContact OD2-CA 3.36Å; D173-S175 VanDerWaalsContact OD2-CB 3.22Å; D173-S175 WeakPolarHBondContact OD2-CB 3.37Å; D173-S175 PolarHBondContact OD2-N 2.79Å; D173-S175 PolarHBondContact OD2-OG 3.02Å; S175-K177 PolarHBondContact O-N 3.25Å; S175-K177 WeakPolarHBondContact OG-CB 3.5Å; S175-K177 PolarHBondContact OG-N 2.73Å
176G93.3Very high97.2Very high2 Ų224.4 Ų24.42%0.02113%0.133CC..SBendtrans70.72.9-173.800000115.1H131 D173H131-G176 PolarHBondContact NE2-O 2.86Å; D173-G176 PolarHBondContact O-N 3.04Å; D173-G176 VanDerWaalsContact OD1-CA 3.32Å; D173-G176 WeakPolarHBondContact OD1-CA 3.32Å; D173-G176 PolarHBondContact OD1-N 3.03Å
177K93.7Very high97.2Very high98 Ų9826.1 Ų26.143%0.42614%0.139SC..SBendtrans-70.9-36.8178.4-177178176.7-177.30112.5D173 S175 F193 T194D173-K177 PolarHBondContact OD1-N 2.93Å; S175-K177 PolarHBondContact O-N 3.25Å; S175-K177 WeakPolarHBondContact OG-CB 3.5Å; S175-K177 PolarHBondContact OG-N 2.73Å; K177-F193 WeakPolarHBondContact O-CB 3.32Å; K177-F193 PolarHBondContact O-N 2.78Å; K177-T194 HydrophobicContact CG-CG2 4.49Å
178F96.9Very high97.2Very high47 Ų4726.2 Ų26.221%0.20614%0.139CC..EExtended strand (participates in β ladder)trans-114137.2-175.8-58.3-61.7000111D173 L190 W191 I199 F214D173-F178 HydrophobicContact CB-CB 4.2Å; D173-F178 PolarHBondContact N-O 2.79Å; D173-F178 PolarHBondContact OD1-N 2.9Å; D173-F178 VanDerWaalsContact OD1-O 3.13Å; F178-L190 HydrophobicContact CB-CD1 3.96Å; F178-L190 HydrophobicContact CG-CD1 4.5Å; F178-W191 VanDerWaalsContact CA-O 3.31Å; F178-W191 WeakPolarHBondContact CA-O 3.29Å; F178-I199 HydrophobicContact CD1-CD1 3.63Å; F178-I199 HydrophobicContact CE1-CD1 3.38Å; F178-F214 HydrophobicContact CB-CZ 4.18Å
179L98.1Very high97.2Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-109132168-179.876.2000107.6V138 I146 L160 V170 F172 W191 F193V138-L179 HydrophobicContact CG1-CD2 4.37Å; V138-L179 HydrophobicContact CG2-CD1 4.13Å; I146-L179 HydrophobicContact CG2-CD2 4.22Å; L160-L179 HydrophobicContact CD1-CD2 3.55Å; V170-L179 HydrophobicContact CB-CD1 4.23Å; F172-L179 HydrophobicContact CD1-CB 4.24Å; F172-L179 HydrophobicContact CD1-CD1 3.8Å; F172-L179 HydrophobicContact CD2-CD1 4.25Å; F172-L179 HydrophobicContact CE1-CB 4.08Å; F172-L179 HydrophobicContact CE1-CD1 3.65Å; F172-L179 HydrophobicContact CE1-CG 4.4Å; F172-L179 HydrophobicContact CE2-CD1 4.11Å; F172-L179 HydrophobicContact CG-CD1 4.1Å; F172-L179 HydrophobicContact CZ-CD1 3.82Å; L179-W191 HydrophobicContact CB-CB 4.25Å; L179-W191 PolarHBondContact N-O 3.3Å; L179-W191 VanDerWaalsContact O-CD1 3.27Å; L179-W191 PolarHBondContact O-N 3.19Å; L179-F193 HydrophobicContact CB-CD2 4.3Å
180A98.5Very high97.2Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-103.4138.8165.800000109.2V170 A171 K189 V212 F214 L221V170-A180 CarbonylContact C-O 3.54Å; V170-A180 VanDerWaalsContact CA-O 3.25Å; V170-A180 WeakPolarHBondContact CA-O 3.41Å; A171-A180 PolarHBondContact N-O 2.84Å; A171-A180 PolarHBondContact O-N 2.8Å; A180-K189 CarbonylContact C-O 3.46Å; A180-K189 WeakPolarHBondContact CA-O 3.2Å; A180-V212 HydrophobicContact CB-CG2 3.81Å; A180-F214 HydrophobicContact CB-CD2 4.39Å; A180-F214 HydrophobicContact CB-CE2 3.48Å; A180-F214 VanDerWaalsContact CB-CE2 3.48Å; A180-F214 HydrophobicContact CB-CZ 3.73Å; A180-L221 HydrophobicContact CB-CD1 3.51Å; A180-L221 HydrophobicContact CB-CD2 3.76Å; A180-L221 HydrophobicContact CB-CG 4.29Å
181S98.5Very high97.2Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-131.4148.6172.265.80000110.6H163 D169 V188 K189 W191H163-S181 PolarHBondContact CD2-OG 3.42Å; H163-S181 PolarHBondContact NE2-OG 2.81Å; D169-S181 WeakPolarHBondContact O-CA 3.33Å; S181-V188 CarbonylContact O-C 3.53Å; S181-V188 VanDerWaalsContact O-CA 3.25Å; S181-V188 WeakPolarHBondContact O-CA 3.38Å; S181-V188 WeakPolarHBondContact O-CG1 3.12Å; S181-K189 PolarHBondContact N-O 2.92Å; S181-K189 PolarHBondContact O-N 3.09Å; S181-W191 PolarHBondContact OG-NE1 2.86Å
182C98.4Very high97Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-129.2152.917670.10000110.8V167 Q168 D169 V188 V209 V212V167-C182 CarbonylContact C-O 3.57Å; V167-C182 WeakPolarHBondContact CA-O 3.28Å; V167-C182 WeakPolarHBondContact CG1-O 3.45Å; Q168-C182 PolarHBondContact N-O 2.94Å; D169-C182 PolarHBondContact O-N 3.4Å; C182-V188 HydrophobicContact CB-CG2 3.99Å; C182-V209 HydrophobicContact CB-CB 3.78Å; C182-V209 HydrophobicContact CB-CG1 3.49Å; C182-V209 VanDerWaalsContact CB-CG1 3.49Å; C182-V212 HydrophobicContact CB-CB 4.02Å; C182-V212 HydrophobicContact CB-CG1 4.24Å
183S98.5Very high96.8Very high0 Ų024.3 Ų24.30%013%0.129CC..EExtended strand (participates in β ladder)trans-142.8164.7-170.9168.80000113.1H163 D165 S166 D185 M186 Q187 V209H163-S183 VanDerWaalsContact CE1-CB 3.48Å; H163-S183 WeakPolarHBondContact CE1-CB 3.35Å; H163-S183 WeakPolarHBondContact ND1-CB 3.39Å; D165-S183 VanDerWaalsContact C-OG 3.25Å; D165-S183 PolarHBondContact O-OG 3.42Å; S166-S183 VanDerWaalsContact O-CA 3.28Å; S166-S183 WeakPolarHBondContact O-CA 3.4Å; S166-S183 WeakPolarHBondContact O-CB 3.38Å; S166-S183 PolarHBondContact O-OG 3.41Å; S183-D185 VanDerWaalsContact CB-OD1 3.26Å; S183-D185 WeakPolarHBondContact CB-OD1 3.32Å; S183-D185 PolarHBondContact O-N 2.9Å; S183-D185 VanDerWaalsContact OG-CG 3.32Å; S183-D185 PolarHBondContact OG-N 3.13Å; S183-D185 VanDerWaalsContact OG-N 3.08Å; S183-D185 PolarHBondContact OG-OD1 3.33Å; S183-M186 PolarHBondContact O-N 3.01Å; S183-Q187 PolarHBondContact N-O 3.02Å; S183-V209 PolarHBondContact O-N 2.98Å
184A98.5Very high96.5Very high6 Ų625.7 Ų25.75%0.0514%0.138CC..THydrogen-bonded Turntrans-59.2-19.5165.800000113.3D165 S166 M186 N208D165-A184 HydrophobicContact CB-CB 3.96Å; D165-A184 WeakPolarHBondContact OD2-CB 3.45Å; S166-A184 PolarHBondContact O-N 3.2Å; A184-M186 PolarHBondContact O-N 2.8Å; A184-N208 HydrophobicContact CB-CB 4.37Å; A184-N208 VanDerWaalsContact CB-ND2 3.27Å; A184-N208 WeakPolarHBondContact CB-ND2 3.43Å
185D98.2Very high96.4Very high23 Ų2324.6 Ų24.612%0.12313%0.127CC..THydrogen-bonded Turntrans-71.38.6173.570.512.7000114.5H163 T164 D165 S183 Q187H163-D185 VanDerWaalsContact CA-OD2 3.3Å; H163-D185 WeakPolarHBondContact CA-OD2 3.37Å; H163-D185 WeakPolarHBondContact CB-OD2 3.22Å; H163-D185 IonicContact CE1-OD1 3.93Å; H163-D185 IonicContact CE1-OD2 3.3Å; H163-D185 IonicContact CG-OD2 2.73Å; H163-D185 IonicContact ND1-OD1 3.15Å; H163-D185 PolarHBondContact ND1-OD1 2.73Å; H163-D185 IonicContact ND1-OD2 3.42Å; H163-D185 PolarHBondContact ND1-OD2 2.96Å; T164-D185 PolarHBondContact N-OD2 2.72Å; T164-D185 VanDerWaalsContact OG1-CB 3.29Å; T164-D185 WeakPolarHBondContact OG1-CB 3.48Å; D165-D185 HydrophobicContact CB-CB 4.02Å; S183-D185 VanDerWaalsContact CB-OD1 3.26Å; S183-D185 WeakPolarHBondContact CB-OD1 3.32Å; S183-D185 PolarHBondContact O-N 2.9Å; S183-D185 VanDerWaalsContact OG-CG 3.32Å; S183-D185 PolarHBondContact OG-N 3.13Å; S183-D185 VanDerWaalsContact OG-N 3.08Å; S183-D185 PolarHBondContact OG-OD1 3.33Å; D185-Q187 PolarHBondContact O-N 2.8Å; D185-Q187 VanDerWaalsContact OD1-CB 3.28Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.44Å; D185-Q187 PolarHBondContact OD1-N 3.27Å
186M98.4Very high96.4Very high84 Ų8422.8 Ų22.841%0.41411%0.111SC..SBendtrans69.38.5177.9-43.6178-175.100114S183 A184S183-M186 PolarHBondContact O-N 3.01Å; A184-M186 PolarHBondContact O-N 2.8Å
187Q98Very high96.4Very high55 Ų5527.5 Ų27.526%0.25713%0.132SC..  trans-107.7151.9-178.5-53.9-179.1-1.500112S183 D185 T201 T203S183-Q187 PolarHBondContact N-O 3.02Å; D185-Q187 PolarHBondContact O-N 2.8Å; D185-Q187 VanDerWaalsContact OD1-CB 3.28Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.44Å; D185-Q187 PolarHBondContact OD1-N 3.27Å; Q187-T201 HydrophobicContact CB-CG2 4.07Å; Q187-T201 HydrophobicContact CG-CG2 4.11Å; Q187-T203 HydrophobicContact CG-CG2 4.28Å
188V98.5Very high96.5Very high1 Ų125.3 Ų25.31%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-110.6127.6162.4-179.60000107.7S181 C182 L202 V209 V212 L221S181-V188 CarbonylContact O-C 3.53Å; S181-V188 VanDerWaalsContact O-CA 3.25Å; S181-V188 WeakPolarHBondContact O-CA 3.38Å; S181-V188 WeakPolarHBondContact O-CG1 3.12Å; C182-V188 HydrophobicContact CB-CG2 3.99Å; V188-L202 HydrophobicContact CB-CB 4.14Å; V188-L202 HydrophobicContact CB-CD1 4.21Å; V188-L202 HydrophobicContact CB-CG 4.35Å; V188-L202 HydrophobicContact CG1-CD1 4.04Å; V188-L202 PolarHBondContact N-O 3.34Å; V188-L202 VanDerWaalsContact N-O 3.08Å; V188-L202 PolarHBondContact O-N 3.38Å; V188-V209 HydrophobicContact CG2-CB 4.49Å; V188-V209 HydrophobicContact CG2-CG1 3.87Å; V188-V209 HydrophobicContact CG2-CG2 4.33Å; V188-V212 HydrophobicContact CG1-CG2 4.01Å; V188-L221 HydrophobicContact CG1-CD2 3.51Å
189K98.5Very high96.4Very high14 Ų1426.8 Ų26.86%0.06114%0.138CC..EExtended strand (participates in β ladder)trans-109.4136.2177.3-70.2-179.5-168.8-71.70110.2G162 A180 S181 W191 K200 T201G162-K189 WeakPolarHBondContact O-CE 3.39Å; A180-K189 CarbonylContact C-O 3.46Å; A180-K189 WeakPolarHBondContact CA-O 3.2Å; S181-K189 PolarHBondContact N-O 2.92Å; S181-K189 PolarHBondContact O-N 3.09Å; K189-W191 HydrophobicContact CB-CZ2 3.72Å; K189-W191 HydrophobicContact CD-CH2 4.01Å; K189-W191 HydrophobicContact CD-CZ2 3.58Å; K189-W191 HydrophobicContact CG-CZ2 4.27Å; K189-K200 WeakPolarHBondContact CA-O 3.4Å; K189-T201 HydrophobicContact CG-CG2 4.41Å; K189-T201 PolarHBondContact NZ-OG1 3.25Å
190L98.1Very high96.4Very high7 Ų729.5 Ų29.54%0.03715%0.15CC..EExtended strand (participates in β ladder)trans-104124.7172.2-172.671.2000108.4F178 I199 K200 F214 V235F178-L190 HydrophobicContact CB-CD1 3.96Å; F178-L190 HydrophobicContact CG-CD1 4.5Å; L190-I199 PolarHBondContact O-N 2.96Å; L190-K200 HydrophobicContact CB-CB 4.18Å; L190-K200 HydrophobicContact CD2-CD 4.31Å; L190-K200 PolarHBondContact N-O 2.98Å; L190-K200 PolarHBondContact O-N 3.42Å; L190-F214 HydrophobicContact CD1-CE1 4.16Å; L190-F214 HydrophobicContact CD1-CZ 3.7Å; L190-V235 HydrophobicContact CD1-CG1 4.46Å; L190-V235 HydrophobicContact CD2-CG1 3.77Å
191W97.8Very high96.3Very high6 Ų632.3 Ų32.32%0.02317%0.167CC..EExtended strand (participates in β ladder)trans-115139.2-177.4-46.283.8000109.9L160 K161 F178 L179 S181 K189 F193 Q197 C198L160-W191 HydrophobicContact CB-CD2 4.43Å; L160-W191 HydrophobicContact CB-CE3 4.1Å; L160-W191 HydrophobicContact CB-CH2 4.39Å; L160-W191 HydrophobicContact CB-CZ3 4.08Å; L160-W191 HydrophobicContact CD1-CB 4.41Å; L160-W191 HydrophobicContact CD1-CD2 4.2Å; L160-W191 HydrophobicContact CD1-CE3 4.43Å; L160-W191 HydrophobicContact CD1-CG 4.17Å; L160-W191 HydrophobicContact CD2-CE3 4.31Å; K161-W191 WeakPolarHBondContact O-CH2 3.47Å; F178-W191 VanDerWaalsContact CA-O 3.31Å; F178-W191 WeakPolarHBondContact CA-O 3.29Å; L179-W191 HydrophobicContact CB-CB 4.25Å; L179-W191 PolarHBondContact N-O 3.3Å; L179-W191 VanDerWaalsContact O-CD1 3.27Å; L179-W191 PolarHBondContact O-N 3.19Å; S181-W191 PolarHBondContact OG-NE1 2.86Å; K189-W191 HydrophobicContact CB-CZ2 3.72Å; K189-W191 HydrophobicContact CD-CH2 4.01Å; K189-W191 HydrophobicContact CD-CZ2 3.58Å; K189-W191 HydrophobicContact CG-CZ2 4.27Å; W191-F193 PolarHBondContact O-N 2.92Å; W191-Q197 CarbonylContact C-O 3.6Å; W191-Q197 VanDerWaalsContact CA-O 3.25Å; W191-Q197 WeakPolarHBondContact CA-O 3.37Å; W191-C198 HydrophobicContact CD2-CB 4.26Å; W191-C198 HydrophobicContact CE3-CB 3.62Å; W191-C198 HydrophobicContact CH2-CB 4.11Å; W191-C198 HydrophobicContact CZ3-CB 3.54Å
192D95Very high96.3Very high21 Ų2132.8 Ų32.811%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-79.9114.8163-166.9-41.8000107.5T194 I195 Y196 Q197 I199D192-T194 VanDerWaalsContact C-N 3.25Å; D192-T194 PolarHBondContact O-N 3.39Å; D192-T194 WeakPolarHBondContact OD1-CB 3.44Å; D192-T194 PolarHBondContact OD1-N 2.99Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å; D192-I195 HydrophobicContact CB-CD1 4.09Å; D192-I195 HydrophobicContact CB-CG1 3.56Å; D192-Y196 VanDerWaalsContact O-CA 3.25Å; D192-Y196 WeakPolarHBondContact O-CA 3.48Å; D192-Y196 PolarHBondContact O-N 3.49Å; D192-Q197 PolarHBondContact N-O 2.87Å; D192-Q197 PolarHBondContact O-N 3.38Å; D192-I199 HydrophobicContact CB-CD1 3.52Å; D192-I199 HydrophobicContact CB-CG1 3.8Å
193F93.4Very high96.2Very high1 Ų137.3 Ų37.30%0.00420%0.197CC..THydrogen-bonded Turntrans-76.5-14.6-177-162.8-105.4000112.6H131 V136 V138 V148 F172 K177 L179 W191 Y196H131-F193 AromaticContact CD2-CD1 3.45Å; H131-F193 VanDerWaalsContact CD2-CD1 3.45Å; H131-F193 WeakPolarHBondContact CD2-CD1 3.34Å; H131-F193 AromaticContact CD2-CE1 3.32Å; H131-F193 WeakPolarHBondContact CD2-CE1 3.22Å; H131-F193 AromaticContact NE2-CD1 3.74Å; V136-F193 HydrophobicContact CG2-CE1 3.81Å; V136-F193 HydrophobicContact CG2-CZ 3.92Å; V138-F193 HydrophobicContact CG1-CE2 3.65Å; V138-F193 HydrophobicContact CG1-CZ 4.09Å; V148-F193 HydrophobicContact CG1-CE2 4.36Å; V148-F193 HydrophobicContact CG1-CZ 3.82Å; V148-F193 HydrophobicContact CG2-CE2 3.93Å; V148-F193 HydrophobicContact CG2-CZ 4.25Å; F172-F193 HydrophobicContact CE1-CB 4.46Å; F172-F193 HydrophobicContact CE1-CD1 4.07Å; F172-F193 AromaticContact CE1-CD2 3.67Å; F172-F193 HydrophobicContact CE1-CD2 3.67Å; F172-F193 HydrophobicContact CE1-CE1 4.21Å; F172-F193 AromaticContact CE1-CE2 3.82Å; F172-F193 HydrophobicContact CE1-CE2 3.82Å; F172-F193 AromaticContact CE1-CG 3.8Å; F172-F193 HydrophobicContact CE1-CG 3.8Å; F172-F193 HydrophobicContact CE1-CZ 4.08Å; F172-F193 HydrophobicContact CZ-CD2 4.15Å; F172-F193 HydrophobicContact CZ-CE1 4.31Å; F172-F193 AromaticContact CZ-CE2 3.8Å; F172-F193 HydrophobicContact CZ-CE2 3.8Å; F172-F193 AromaticContact CZ-CZ 3.88Å; F172-F193 HydrophobicContact CZ-CZ 3.88Å; K177-F193 WeakPolarHBondContact O-CB 3.32Å; K177-F193 PolarHBondContact O-N 2.78Å; L179-F193 HydrophobicContact CB-CD2 4.3Å; W191-F193 PolarHBondContact O-N 2.92Å; F193-Y196 HydrophobicContact CD2-CD1 4.5Å; F193-Y196 HydrophobicContact CD2-CE1 4.3Å; F193-Y196 HydrophobicContact CE1-CE1 4.45Å; F193-Y196 HydrophobicContact CE2-CE1 4.1Å; F193-Y196 HydrophobicContact CZ-CE1 4.18Å; F193-Y196 WeakPolarHBondContact O-CE1 3.37Å
194T90Very high96.1Very high40 Ų4039 Ų3925%0.24522%0.215CC..THydrogen-bonded Turntrans-79.8-34.9177.368.20000112.5K177 D192K177-T194 HydrophobicContact CG-CG2 4.49Å; D192-T194 VanDerWaalsContact C-N 3.25Å; D192-T194 PolarHBondContact O-N 3.39Å; D192-T194 WeakPolarHBondContact OD1-CB 3.44Å; D192-T194 PolarHBondContact OD1-N 2.99Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å
195I91Very high96.1Very high45 Ų4539.2 Ų39.223%0.23122%0.215CC..THydrogen-bonded Turntrans-111.3-0.3-179.262169.6000113.6K51 D192 Q197K51-I195 HydrophobicContact CB-CG2 4.45Å; K51-I195 HydrophobicContact CD-CB 3.87Å; K51-I195 HydrophobicContact CD-CG2 4Å; K51-I195 WeakPolarHBondContact CE-O 3.34Å; K51-I195 PolarHBondContact NZ-O 2.84Å; D192-I195 HydrophobicContact CB-CD1 4.09Å; D192-I195 HydrophobicContact CB-CG1 3.56Å; I195-Q197 VanDerWaalsContact C-N 3.31Å; I195-Q197 HydrophobicContact CD1-CB 4.06Å; I195-Q197 HydrophobicContact CD1-CG 4.4Å; I195-Q197 HydrophobicContact CG1-CB 4.1Å; I195-Q197 HydrophobicContact CG1-CG 4.42Å; I195-Q197 PolarHBondContact O-N 2.94Å
196Y93.1Very high96.1Very high28 Ų2844.3 Ų44.311%0.1124%0.242CC..THydrogen-bonded Turntrans54.838.9179.6-56.3-73.3000114.2R58 V148 H158 L160 D192 F193R58-Y196 PolarHBondContact NH2-OH 3.33Å; V148-Y196 HydrophobicContact CG1-CE1 4.44Å; V148-Y196 HydrophobicContact CG2-CD1 4.33Å; V148-Y196 HydrophobicContact CG2-CE1 4.02Å; H158-Y196 HydrophobicContact CB-CD1 4.32Å; H158-Y196 HydrophobicContact CB-CE1 4.38Å; H158-Y196 HydrophobicContact CB-CG 4.44Å; H158-Y196 AromaticContact CD2-CD2 3.91Å; L160-Y196 HydrophobicContact CD2-CD1 4Å; L160-Y196 HydrophobicContact CD2-CG 4.29Å; L160-Y196 WeakPolarHBondContact CD2-O 3.32Å; D192-Y196 VanDerWaalsContact O-CA 3.25Å; D192-Y196 WeakPolarHBondContact O-CA 3.48Å; D192-Y196 PolarHBondContact O-N 3.49Å; F193-Y196 HydrophobicContact CD2-CD1 4.5Å; F193-Y196 HydrophobicContact CD2-CE1 4.3Å; F193-Y196 HydrophobicContact CE1-CE1 4.45Å; F193-Y196 HydrophobicContact CE2-CE1 4.1Å; F193-Y196 HydrophobicContact CZ-CE1 4.18Å; F193-Y196 WeakPolarHBondContact O-CE1 3.37Å
197Q92.9Very high96.1Very high101 Ų10143.6 Ų43.647%0.47224%0.238SC..EExtended strand (participates in β ladder)trans-119.4145.6-177.8-74.5-179.2-11.100112.1W191 D192 I195 I199W191-Q197 CarbonylContact C-O 3.6Å; W191-Q197 VanDerWaalsContact CA-O 3.25Å; W191-Q197 WeakPolarHBondContact CA-O 3.37Å; D192-Q197 PolarHBondContact N-O 2.87Å; D192-Q197 PolarHBondContact O-N 3.38Å; I195-Q197 VanDerWaalsContact C-N 3.31Å; I195-Q197 HydrophobicContact CD1-CB 4.06Å; I195-Q197 HydrophobicContact CD1-CG 4.4Å; I195-Q197 HydrophobicContact CG1-CB 4.1Å; I195-Q197 HydrophobicContact CG1-CG 4.42Å; I195-Q197 PolarHBondContact O-N 2.94Å; Q197-I199 PolarHBondContact O-N 2.88Å
198C96Very high96.1Very high52 Ų5242.3 Ų42.335%0.35123%0.233SC..EExtended strand (participates in β ladder)trans-71.9117.6170.7-173.60000109.2W191 K200W191-C198 HydrophobicContact CD2-CB 4.26Å; W191-C198 HydrophobicContact CE3-CB 3.62Å; W191-C198 HydrophobicContact CH2-CB 4.11Å; W191-C198 HydrophobicContact CZ3-CB 3.54Å; C198-K200 PolarHBondContact SG-O 3.39Å; C198-K200 VanDerWaalsContact SG-O 3.33Å
199I95.9Very high96.1Very high79 Ų7942.2 Ų42.241%0.40523%0.232SC..EExtended strand (participates in β ladder)trans-85-44.5176.8-53.4171.6000109.7F178 L190 D192 Q197F178-I199 HydrophobicContact CD1-CD1 3.63Å; F178-I199 HydrophobicContact CE1-CD1 3.38Å; L190-I199 PolarHBondContact O-N 2.96Å; D192-I199 HydrophobicContact CB-CD1 3.52Å; D192-I199 HydrophobicContact CB-CG1 3.8Å; Q197-I199 PolarHBondContact O-N 2.88Å
200K96.4Very high96.1Very high57 Ų5742.3 Ų42.325%0.24823%0.234CC..EExtended strand (participates in β ladder)trans-141.8147.8-174.2-61.1-179.5-175.3-820111.1K189 L190 C198 L202 V235 S236 T237K189-K200 WeakPolarHBondContact CA-O 3.4Å; L190-K200 HydrophobicContact CB-CB 4.18Å; L190-K200 HydrophobicContact CD2-CD 4.31Å; L190-K200 PolarHBondContact N-O 2.98Å; L190-K200 PolarHBondContact O-N 3.42Å; C198-K200 PolarHBondContact SG-O 3.39Å; C198-K200 VanDerWaalsContact SG-O 3.33Å; K200-L202 HydrophobicContact CB-CD2 4Å; K200-V235 WeakPolarHBondContact CE-O 3.49Å; K200-S236 WeakPolarHBondContact CE-O 3.49Å; K200-S236 PolarHBondContact NZ-O 2.89Å; K200-T237 PolarHBondContact NZ-O 2.59Å
201T97.7Very high96.1Very high58 Ų5842 Ų4236%0.35623%0.233SC..EExtended strand (participates in β ladder)trans-117.9113167.2-65.70000107.4Q187 K189 T203Q187-T201 HydrophobicContact CB-CG2 4.07Å; Q187-T201 HydrophobicContact CG-CG2 4.11Å; K189-T201 HydrophobicContact CG-CG2 4.41Å; K189-T201 PolarHBondContact NZ-OG1 3.25Å; T201-T203 HydrophobicContact CG2-CG2 4.02Å
202L97.8Very high96.1Very high10 Ų1041.7 Ų41.75%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-90.2121.4179.5-38-178.4000107.9V188 K200 L221 W233 G238V188-L202 HydrophobicContact CB-CB 4.14Å; V188-L202 HydrophobicContact CB-CD1 4.21Å; V188-L202 HydrophobicContact CB-CG 4.35Å; V188-L202 HydrophobicContact CG1-CD1 4.04Å; V188-L202 PolarHBondContact N-O 3.34Å; V188-L202 VanDerWaalsContact N-O 3.08Å; V188-L202 PolarHBondContact O-N 3.38Å; K200-L202 HydrophobicContact CB-CD2 4Å; L202-L221 HydrophobicContact CD1-CD2 4.05Å; L202-W233 HydrophobicContact CB-CD2 4.12Å; L202-W233 HydrophobicContact CB-CE3 3.82Å; L202-W233 HydrophobicContact CB-CH2 4.47Å; L202-W233 HydrophobicContact CB-CZ3 4Å; L202-W233 HydrophobicContact CD1-CB 3.73Å; L202-W233 HydrophobicContact CD1-CD2 3.94Å; L202-W233 HydrophobicContact CD1-CE3 4.27Å; L202-W233 HydrophobicContact CD1-CG 3.69Å; L202-G238 VanDerWaalsContact CD2-CA 3.46Å; L202-G238 WeakPolarHBondContact CD2-O 3.35Å
203T96.9Very high96.3Very high95 Ų9541.1 Ų41.158%0.58323%0.23SC*.  trans-120.4146.9-177580000109.4Q187 T201 W233Q187-T203 HydrophobicContact CG-CG2 4.28Å; T201-T203 HydrophobicContact CG2-CG2 4.02Å; T203-W233 WeakPolarHBondContact O-CZ3 3.41Å
204G96.2Very high96.5Very high37 Ų3742 Ų4238%0.38123%0.234SC..  trans142.7-5177.100000115.6K231G204-K231 WeakPolarHBondContact O-CE 3.17Å; G204-K231 PolarHBondContact O-NZ 3.3Å
205H98.1Very high96.9Very high9 Ų940.6 Ų40.64%0.04222%0.224CC..  trans-79.5146.3162.4-84.2-61.9000110V209 S223 S225 D227 W233H205-V209 HydrophobicContact CB-CG2 3.84Å; H205-S223 PolarHBondContact CD2-OG 3.44Å; H205-S223 PolarHBondContact NE2-OG 2.8Å; H205-S225 VanDerWaalsContact CE1-CB 3.48Å; H205-S225 WeakPolarHBondContact CE1-CB 3.41Å; H205-S225 WeakPolarHBondContact ND1-CB 3.42Å; H205-D227 WeakPolarHBondContact CA-OD2 3.37Å; H205-D227 WeakPolarHBondContact CB-OD2 3.4Å; H205-D227 IonicContact CE1-OD1 2.94Å; H205-D227 IonicContact CE1-OD2 3.64Å; H205-D227 IonicContact CG-OD2 3.96Å; H205-D227 IonicContact ND1-OD1 2.82Å; H205-D227 PolarHBondContact ND1-OD1 3.25Å; H205-D227 IonicContact ND1-OD2 3.53Å; H205-D227 PolarHBondContact ND1-OD2 3.43Å; H205-W233 AromaticContact CD2-CZ2 3.86Å
206D97.9Very high97.1Very high131 Ų13141.3 Ų41.370%0.70123%0.232SC*.SBendtrans-102.25.2-175.3-63.9-43.9000113.1D227D206-D227 HydrophobicContact CB-CB 4.25Å; D206-D227 PolarHBondContact N-OD2 3.49Å
207H98.4Very high97.1Very high69 Ų6943.4 Ų43.432%0.31925%0.251SS..SBendtrans-157.7170.5177.3-152.9-60.7000109.8V209 S225 R226 D227H207-V209 PolarHBondContact O-N 2.93Å; H207-S225 PolarHBondContact O-OG 3.01Å; H207-R226 HydrophobicContact CB-CB 3.97Å; H207-R226 WeakPolarHBondContact ND1-CB 3.5Å; H207-D227 HydrophobicContact CB-CB 4.05Å
208N98.2Very high97.2Very high27 Ų2739.3 Ų39.314%0.14424%0.236CC..  trans-35.9123173.9-55.338.1000113.1A184 S225 R226A184-N208 HydrophobicContact CB-CB 4.37Å; A184-N208 VanDerWaalsContact CB-ND2 3.27Å; A184-N208 WeakPolarHBondContact CB-ND2 3.43Å; N208-S225 WeakPolarHBondContact O-CA 3.4Å; N208-S225 PolarHBondContact O-OG 2.92Å; N208-R226 HydrophobicContact CB-CG 4.11Å; N208-R226 PolarHBondContact O-N 2.83Å
209V98.7Very high97.2Very high0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-84.5118173.4-169.40000107.6Q168 C182 S183 V188 H205 H207 A224Q168-V209 VanDerWaalsContact CB-O 3.29Å; Q168-V209 WeakPolarHBondContact CB-O 3.31Å; Q168-V209 VanDerWaalsContact CG-O 3.24Å; Q168-V209 WeakPolarHBondContact CG-O 3.23Å; C182-V209 HydrophobicContact CB-CB 3.78Å; C182-V209 HydrophobicContact CB-CG1 3.49Å; C182-V209 VanDerWaalsContact CB-CG1 3.49Å; S183-V209 PolarHBondContact O-N 2.98Å; V188-V209 HydrophobicContact CG2-CB 4.49Å; V188-V209 HydrophobicContact CG2-CG1 3.87Å; V188-V209 HydrophobicContact CG2-CG2 4.33Å; H205-V209 HydrophobicContact CB-CG2 3.84Å; H207-V209 PolarHBondContact O-N 2.93Å; V209-A224 CarbonylContact C-O 3.54Å; V209-A224 WeakPolarHBondContact CA-O 3.45Å; V209-A224 VanDerWaalsContact CG1-O 3.23Å; V209-A224 WeakPolarHBondContact CG1-O 3.14Å
210S98.3Very high97.2Very high15 Ų1540.5 Ų40.511%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-93-28.3-170.1530000113.4A224 I251 R252S210-A224 PolarHBondContact N-O 2.87Å; S210-A224 PolarHBondContact OG-O 3.08Å; S210-A224 VanDerWaalsContact OG-O 3.1Å; S210-I251 WeakPolarHBondContact CB-O 3.22Å; S210-I251 PolarHBondContact OG-O 3.36Å; S210-R252 PolarHBondContact OG-O 3.37Å
211S98.5Very high97.3Very high1 Ų137.9 Ų37.91%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-150.2150.9-177.3-1750000112.3D169 S223 A224 V254 R255D169-S211 WeakPolarHBondContact OD2-CA 3.22Å; D169-S211 PolarHBondContact OD2-OG 3.14Å; S211-S223 CarbonylContact O-C 3.49Å; S211-S223 WeakPolarHBondContact O-CA 3.35Å; S211-A224 PolarHBondContact N-O 3.16Å; S211-A224 PolarHBondContact O-N 2.83Å; S211-V254 PolarHBondContact OG-N 3.2Å; S211-R255 PolarHBondContact OG-NH1 2.99Å
212V98.5Very high97.3Very high0 Ų035.1 Ų35.10%021%0.209CC..EExtended strand (participates in β ladder)trans-141.7143.1-179.967.80000110.1D169 A171 A180 C182 V188 L221 V222 R255D169-V212 HydrophobicContact CB-CG1 4.17Å; D169-V212 PolarHBondContact OD2-N 2.97Å; A171-V212 HydrophobicContact CB-CG1 4.26Å; A180-V212 HydrophobicContact CB-CG2 3.81Å; C182-V212 HydrophobicContact CB-CB 4.02Å; C182-V212 HydrophobicContact CB-CG1 4.24Å; V188-V212 HydrophobicContact CG1-CG2 4.01Å; V212-L221 HydrophobicContact CG2-CD1 3.73Å; V212-L221 HydrophobicContact CG2-CD2 3.63Å; V212-L221 HydrophobicContact CG2-CG 3.75Å; V212-V222 CarbonylContact C-O 3.53Å; V212-V222 WeakPolarHBondContact CA-O 3.44Å; V212-R255 PolarHBondContact O-NH1 3.07Å
213A98.3Very high97.4Very high8 Ų834.6 Ų34.67%0.06621%0.206CC..EExtended strand (participates in β ladder)trans-156.3143.7177.300000111.5L221 V222 P256A213-L221 CarbonylContact O-C 3.51Å; A213-L221 WeakPolarHBondContact O-CD1 3.42Å; A213-V222 HydrophobicContact CB-CG2 4.07Å; A213-V222 PolarHBondContact N-O 3.43Å; A213-V222 WeakPolarHBondContact O-CG2 3.29Å; A213-V222 PolarHBondContact O-N 3.5Å; A213-P256 HydrophobicContact CB-CG 4.24Å
214F98.3Very high97.4Very high20 Ų2030.1 Ų30.19%0.08818%0.178CC..EExtended strand (participates in β ladder)trans-81144.9169.8-74-90.7000110.9A171 F172 D173 F178 A180 L190 L221 V235A171-F214 HydrophobicContact CB-CD2 4.1Å; A171-F214 HydrophobicContact CB-CE2 4.49Å; A171-F214 WeakPolarHBondContact O-CE2 3.26Å; F172-F214 VanDerWaalsContact O-CD2 3.29Å; F172-F214 WeakPolarHBondContact O-CD2 3.25Å; D173-F214 HydrophobicContact CB-CD1 3.93Å; D173-F214 HydrophobicContact CB-CD2 4.08Å; D173-F214 HydrophobicContact CB-CE1 3.89Å; D173-F214 HydrophobicContact CB-CE2 4.03Å; D173-F214 HydrophobicContact CB-CG 4.01Å; D173-F214 HydrophobicContact CB-CZ 3.93Å; F178-F214 HydrophobicContact CB-CZ 4.18Å; A180-F214 HydrophobicContact CB-CD2 4.39Å; A180-F214 HydrophobicContact CB-CE2 3.48Å; A180-F214 VanDerWaalsContact CB-CE2 3.48Å; A180-F214 HydrophobicContact CB-CZ 3.73Å; L190-F214 HydrophobicContact CD1-CE1 4.16Å; L190-F214 HydrophobicContact CD1-CZ 3.7Å; F214-L221 HydrophobicContact CB-CD1 4.42Å; F214-L221 HydrophobicContact CD1-CD1 3.72Å; F214-L221 HydrophobicContact CD2-CD1 3.61Å; F214-L221 HydrophobicContact CE1-CD1 3.8Å; F214-L221 HydrophobicContact CE2-CD1 3.7Å; F214-L221 HydrophobicContact CG-CD1 3.64Å; F214-L221 HydrophobicContact CZ-CD1 3.8Å; F214-V235 HydrophobicContact CD1-CG2 4.1Å; F214-V235 HydrophobicContact CE1-CG1 4.48Å; F214-V235 HydrophobicContact CE1-CG2 3.78Å
215L97Very high97.6Very high10 Ų1028.3 Ų28.35%0.05216%0.16CC..  trans-65.5153.8161.9-66.9-166.8000109.8S217 G218 F220 V222 M232 P256 L263L215-S217 PolarHBondContact O-N 2.96Å; L215-S217 VanDerWaalsContact O-N 3.11Å; L215-G218 PolarHBondContact O-N 3Å; L215-F220 HydrophobicContact CB-CB 4.41Å; L215-F220 HydrophobicContact CD1-CB 3.64Å; L215-F220 HydrophobicContact CD1-CD2 4.06Å; L215-F220 HydrophobicContact CD1-CG 4.19Å; L215-F220 HydrophobicContact CG-CB 3.88Å; L215-F220 PolarHBondContact N-O 2.74Å; L215-V222 HydrophobicContact CD2-CG1 4.28Å; L215-M232 HydrophobicContact CD1-CE 4.04Å; L215-M232 HydrophobicContact CD1-SD 4.45Å; L215-M232 HydrophobicContact CD2-CE 4.48Å; L215-P256 HydrophobicContact CD2-CB 3.65Å; L215-P256 HydrophobicContact CD2-CG 3.6Å; L215-L263 HydrophobicContact CD2-CD2 3.91Å
216P95.1Very high97.6Very high60 Ų6030.5 Ų30.539%0.3917%0.168SC..THydrogen-bonded Turntrans-56.6-26.8179-26.835.3000114.9P174 G218 S257 P258P174-P216 WeakPolarHBondContact CG-O 3.45Å; P216-G218 VanDerWaalsContact C-N 3.29Å; P216-G218 PolarHBondContact O-N 2.72Å; P216-S257 WeakPolarHBondContact CG-O 3.22Å; P216-P258 VanDerWaalsContact CG-O 3.27Å; P216-P258 WeakPolarHBondContact CG-O 2.88Å
217S93.6Very high97.6Very high72 Ų7225.7 Ų25.750%0.50314%0.142SC..THydrogen-bonded Turntrans-73-21175.979.20000113.3L215 D219L215-S217 PolarHBondContact O-N 2.96Å; L215-S217 VanDerWaalsContact O-N 3.11Å; S217-D219 VanDerWaalsContact CB-OD2 3.28Å; S217-D219 WeakPolarHBondContact CB-OD2 3.47Å; S217-D219 PolarHBondContact O-N 2.78Å; S217-D219 PolarHBondContact OG-N 3.33Å; S217-D219 PolarHBondContact OG-OD2 2.93Å
218G94.7Very high97.6Very high16 Ų1626 Ų2617%0.16514%0.143CC..SBendtrans80-6.6-175.100000115L215 P216L215-G218 PolarHBondContact O-N 3Å; P216-G218 VanDerWaalsContact C-N 3.29Å; P216-G218 PolarHBondContact O-N 2.72Å
219D96Very high97.6Very high95 Ų9525.7 Ų25.751%0.50814%0.142SC..SBendtrans-79.7-25.1-176.8-54.7-56.6000113.2S217 V235S217-D219 VanDerWaalsContact CB-OD2 3.28Å; S217-D219 WeakPolarHBondContact CB-OD2 3.47Å; S217-D219 PolarHBondContact O-N 2.78Å; S217-D219 PolarHBondContact OG-N 3.33Å; S217-D219 PolarHBondContact OG-OD2 2.93Å; D219-V235 WeakPolarHBondContact O-CB 3.5Å; D219-V235 WeakPolarHBondContact O-CG2 3.23Å; D219-V235 PolarHBondContact O-N 3.02Å
220F97.7Very high97.6Very high60 Ų6025.7 Ų25.726%0.26314%0.142SC..EExtended strand (participates in β ladder)trans-127.3149.4-177.9-60-83.8000111.8L215 M232 W233 E234 T241L215-F220 HydrophobicContact CB-CB 4.41Å; L215-F220 HydrophobicContact CD1-CB 3.64Å; L215-F220 HydrophobicContact CD1-CD2 4.06Å; L215-F220 HydrophobicContact CD1-CG 4.19Å; L215-F220 HydrophobicContact CG-CB 3.88Å; L215-F220 PolarHBondContact N-O 2.74Å; F220-M232 HydrophobicContact CB-CG 4.08Å; F220-M232 HydrophobicContact CB-SD 4.35Å; F220-M232 HydrophobicContact CD1-CG 4.09Å; F220-M232 HydrophobicContact CD1-SD 4.27Å; F220-M232 HydrophobicContact CG-CG 4.34Å; F220-M232 HydrophobicContact CG-SD 4.29Å; F220-W233 CarbonylContact C-O 3.48Å; F220-W233 VanDerWaalsContact CA-O 3.22Å; F220-W233 WeakPolarHBondContact CA-O 3.39Å; F220-E234 HydrophobicContact CD1-CB 4.11Å; F220-E234 HydrophobicContact CE1-CB 3.91Å; F220-E234 HydrophobicContact CE1-CG 4.11Å; F220-T241 HydrophobicContact CE1-CG2 4.11Å
221L97.5Very high97.6Very high2 Ų226.4 Ų26.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-116.2143.1172.5-170.978.2000108.8A180 V188 L202 V212 A213 F214 M232 W233 V235A180-L221 HydrophobicContact CB-CD1 3.51Å; A180-L221 HydrophobicContact CB-CD2 3.76Å; A180-L221 HydrophobicContact CB-CG 4.29Å; V188-L221 HydrophobicContact CG1-CD2 3.51Å; L202-L221 HydrophobicContact CD1-CD2 4.05Å; V212-L221 HydrophobicContact CG2-CD1 3.73Å; V212-L221 HydrophobicContact CG2-CD2 3.63Å; V212-L221 HydrophobicContact CG2-CG 3.75Å; A213-L221 CarbonylContact O-C 3.51Å; A213-L221 WeakPolarHBondContact O-CD1 3.42Å; F214-L221 HydrophobicContact CB-CD1 4.42Å; F214-L221 HydrophobicContact CD1-CD1 3.72Å; F214-L221 HydrophobicContact CD2-CD1 3.61Å; F214-L221 HydrophobicContact CE1-CD1 3.8Å; F214-L221 HydrophobicContact CE2-CD1 3.7Å; F214-L221 HydrophobicContact CG-CD1 3.64Å; F214-L221 HydrophobicContact CZ-CD1 3.8Å; L221-M232 CarbonylContact O-C 3.52Å; L221-M232 VanDerWaalsContact O-CA 3.32Å; L221-M232 WeakPolarHBondContact O-CA 3.5Å; L221-W233 HydrophobicContact CB-CB 4.41Å; L221-W233 PolarHBondContact N-O 2.97Å; L221-W233 PolarHBondContact O-N 3.27Å; L221-V235 HydrophobicContact CB-CG2 4.27Å
222V98.4Very high97.6Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-114.9143.6168.8-62.40000110.6V212 A213 L215 I230 K231 M232 V254 P256 L263V212-V222 CarbonylContact C-O 3.53Å; V212-V222 WeakPolarHBondContact CA-O 3.44Å; A213-V222 HydrophobicContact CB-CG2 4.07Å; A213-V222 PolarHBondContact N-O 3.43Å; A213-V222 WeakPolarHBondContact O-CG2 3.29Å; A213-V222 PolarHBondContact O-N 3.5Å; L215-V222 HydrophobicContact CD2-CG1 4.28Å; V222-I230 HydrophobicContact CB-CG2 4.43Å; V222-K231 CarbonylContact C-O 3.53Å; V222-K231 VanDerWaalsContact CA-O 3.27Å; V222-K231 WeakPolarHBondContact CA-O 3.38Å; V222-M232 HydrophobicContact CG1-CB 4.2Å; V222-M232 HydrophobicContact CG1-CE 3.71Å; V222-M232 HydrophobicContact CG1-CG 4.25Å; V222-V254 HydrophobicContact CG2-CG1 4.01Å; V222-V254 HydrophobicContact CG2-CG2 4Å; V222-P256 HydrophobicContact CG2-CG 3.91Å; V222-L263 HydrophobicContact CG1-CD1 3.91Å; V222-L263 HydrophobicContact CG1-CD2 3.95Å; V222-L263 HydrophobicContact CG2-CD2 4.21Å
223S98.6Very high97.6Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-132.8144.7173.860.10000111.2H205 S211 I230 K231 W233H205-S223 PolarHBondContact CD2-OG 3.44Å; H205-S223 PolarHBondContact NE2-OG 2.8Å; S211-S223 CarbonylContact O-C 3.49Å; S211-S223 WeakPolarHBondContact O-CA 3.35Å; S223-I230 CarbonylContact O-C 3.53Å; S223-I230 WeakPolarHBondContact O-CA 3.3Å; S223-I230 WeakPolarHBondContact O-CG2 3.32Å; S223-K231 PolarHBondContact N-O 3.45Å; S223-K231 PolarHBondContact O-N 2.81Å; S223-W233 PolarHBondContact OG-NE1 2.96Å
224A98.5Very high97.6Very high0 Ų029.3 Ų29.30%016%0.155CC..EExtended strand (participates in β ladder)trans-113.7146.9175.200000110V209 S210 S211 I230 I251 V254V209-A224 CarbonylContact C-O 3.54Å; V209-A224 WeakPolarHBondContact CA-O 3.45Å; V209-A224 VanDerWaalsContact CG1-O 3.23Å; V209-A224 WeakPolarHBondContact CG1-O 3.14Å; S210-A224 PolarHBondContact N-O 2.87Å; S210-A224 PolarHBondContact OG-O 3.08Å; S210-A224 VanDerWaalsContact OG-O 3.1Å; S211-A224 PolarHBondContact N-O 3.16Å; S211-A224 PolarHBondContact O-N 2.83Å; A224-I230 HydrophobicContact CB-CG1 4.46Å; A224-I251 HydrophobicContact CB-CB 3.95Å; A224-I251 HydrophobicContact CB-CG2 3.53Å; A224-V254 HydrophobicContact CB-CB 3.94Å; A224-V254 HydrophobicContact CB-CG1 3.67Å
225S98.6Very high97.5Very high0 Ų029.1 Ų29.10%016%0.156CC..EExtended strand (participates in β ladder)trans-138.7162.5-175.8172.90000113.2H205 H207 N208 D227 K228 T229 I251H205-S225 VanDerWaalsContact CE1-CB 3.48Å; H205-S225 WeakPolarHBondContact CE1-CB 3.41Å; H205-S225 WeakPolarHBondContact ND1-CB 3.42Å; H207-S225 PolarHBondContact O-OG 3.01Å; N208-S225 WeakPolarHBondContact O-CA 3.4Å; N208-S225 PolarHBondContact O-OG 2.92Å; S225-D227 VanDerWaalsContact CB-OD1 3.28Å; S225-D227 WeakPolarHBondContact CB-OD1 3.24Å; S225-D227 PolarHBondContact O-N 3.33Å; S225-D227 VanDerWaalsContact OG-CG 3.24Å; S225-D227 PolarHBondContact OG-N 2.82Å; S225-D227 VanDerWaalsContact OG-N 3.07Å; S225-D227 PolarHBondContact OG-OD1 3.46Å; S225-D227 PolarHBondContact OG-OD2 3.32Å; S225-K228 PolarHBondContact O-N 2.95Å; S225-T229 PolarHBondContact N-O 3.04Å; S225-I251 PolarHBondContact O-N 3.18Å
226R98.6Very high97.5Very high54 Ų5432.5 Ų32.520%0.20418%0.18CC..THydrogen-bonded Turntrans-66.1-13.6167.3-63.5-169.4-168.5-175.87112.9H207 N208 K228 W250H207-R226 HydrophobicContact CB-CB 3.97Å; H207-R226 WeakPolarHBondContact ND1-CB 3.5Å; N208-R226 HydrophobicContact CB-CG 4.11Å; N208-R226 PolarHBondContact O-N 2.83Å; R226-K228 PolarHBondContact O-N 3.01Å; R226-K228 VanDerWaalsContact O-N 3.13Å; R226-W250 HydrophobicContact CB-CB 4.28Å; R226-W250 HydrophobicContact CB-CD2 4.11Å; R226-W250 HydrophobicContact CB-CG 3.79Å; R226-W250 HydrophobicContact CG-CB 4.07Å; R226-W250 HydrophobicContact CG-CD2 3.81Å; R226-W250 HydrophobicContact CG-CE3 4.11Å; R226-W250 HydrophobicContact CG-CG 3.78Å
227D98.3Very high97.5Very high30 Ų3032.1 Ų32.116%0.1618%0.177CC..THydrogen-bonded Turntrans-714.7170.170.717.1000113.8H205 D206 H207 S225 T229H205-D227 WeakPolarHBondContact CA-OD2 3.37Å; H205-D227 WeakPolarHBondContact CB-OD2 3.4Å; H205-D227 IonicContact CE1-OD1 2.94Å; H205-D227 IonicContact CE1-OD2 3.64Å; H205-D227 IonicContact CG-OD2 3.96Å; H205-D227 IonicContact ND1-OD1 2.82Å; H205-D227 PolarHBondContact ND1-OD1 3.25Å; H205-D227 IonicContact ND1-OD2 3.53Å; H205-D227 PolarHBondContact ND1-OD2 3.43Å; D206-D227 HydrophobicContact CB-CB 4.25Å; D206-D227 PolarHBondContact N-OD2 3.49Å; H207-D227 HydrophobicContact CB-CB 4.05Å; S225-D227 VanDerWaalsContact CB-OD1 3.28Å; S225-D227 WeakPolarHBondContact CB-OD1 3.24Å; S225-D227 PolarHBondContact O-N 3.33Å; S225-D227 VanDerWaalsContact OG-CG 3.24Å; S225-D227 PolarHBondContact OG-N 2.82Å; S225-D227 VanDerWaalsContact OG-N 3.07Å; S225-D227 PolarHBondContact OG-OD1 3.46Å; S225-D227 PolarHBondContact OG-OD2 3.32Å; D227-T229 VanDerWaalsContact CG-OG1 3.31Å; D227-T229 PolarHBondContact O-N 3.23Å; D227-T229 WeakPolarHBondContact OD1-CA 3.47Å; D227-T229 WeakPolarHBondContact OD1-CB 3.33Å; D227-T229 PolarHBondContact OD1-N 2.93Å; D227-T229 PolarHBondContact OD1-OG1 3.31Å; D227-T229 PolarHBondContact OD2-OG1 2.96Å
228K98.5Very high97.6Very high77 Ų7729.3 Ų29.334%0.33516%0.159SC..SBendtrans71.612.1176.6-44.5176.9179.7-158.10113.4S225 R226 T248 E249S225-K228 PolarHBondContact O-N 2.95Å; R226-K228 PolarHBondContact O-N 3.01Å; R226-K228 VanDerWaalsContact O-N 3.13Å; K228-T248 WeakPolarHBondContact CD-O 3.18Å; K228-T248 WeakPolarHBondContact CE-O 3.21Å; K228-T248 PolarHBondContact NZ-O 3.04Å; K228-E249 IonicContact NZ-OE1 3.94Å; K228-E249 PolarHBondContact NZ-OE1 2.92Å
229T98.4Very high97.7Very high20 Ų2036.7 Ų36.712%0.12318%0.183CC..EExtended strand (participates in β ladder)trans-115.1153.2178.577.20000112.5S225 D227 T243 F244 I245S225-T229 PolarHBondContact N-O 3.04Å; D227-T229 VanDerWaalsContact CG-OG1 3.31Å; D227-T229 PolarHBondContact O-N 3.23Å; D227-T229 WeakPolarHBondContact OD1-CA 3.47Å; D227-T229 WeakPolarHBondContact OD1-CB 3.33Å; D227-T229 PolarHBondContact OD1-N 2.93Å; D227-T229 PolarHBondContact OD1-OG1 3.31Å; D227-T229 PolarHBondContact OD2-OG1 2.96Å; T229-T243 HydrophobicContact CG2-CG2 4.18Å; T229-F244 WeakPolarHBondContact CA-O 3.3Å; T229-I245 HydrophobicContact CG2-CG1 4.24Å
230I98.6Very high97.8Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-108.6133.2164.4-55.1163.9000106.5V222 S223 A224 T243 F244 I251 V254 L263 S265 W275V222-I230 HydrophobicContact CB-CG2 4.43Å; S223-I230 CarbonylContact O-C 3.53Å; S223-I230 WeakPolarHBondContact O-CA 3.3Å; S223-I230 WeakPolarHBondContact O-CG2 3.32Å; A224-I230 HydrophobicContact CB-CG1 4.46Å; I230-T243 CarbonylContact O-C 3.6Å; I230-T243 WeakPolarHBondContact O-CA 3.29Å; I230-F244 HydrophobicContact CB-CB 4.1Å; I230-F244 HydrophobicContact CB-CD2 4.01Å; I230-F244 HydrophobicContact CB-CG 4.42Å; I230-F244 HydrophobicContact CG2-CD2 4.01Å; I230-F244 PolarHBondContact N-O 3.44Å; I230-F244 WeakPolarHBondContact O-CD2 3.45Å; I230-F244 PolarHBondContact O-N 3.38Å; I230-I251 HydrophobicContact CD1-CD1 4.23Å; I230-I251 HydrophobicContact CG1-CD1 3.56Å; I230-V254 HydrophobicContact CD1-CG2 4.27Å; I230-V254 HydrophobicContact CG2-CG2 4.04Å; I230-L263 HydrophobicContact CG2-CD1 4.42Å; I230-S265 VanDerWaalsContact CD1-CB 3.46Å; I230-W275 HydrophobicContact CD1-CZ2 4.35Å
231K98.6Very high97.7Very high29 Ų2934.7 Ų34.713%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-114.3140.4174.6-71.1178-173.8-82.70110G204 V222 S223 W233 K242 T243G204-K231 WeakPolarHBondContact O-CE 3.17Å; G204-K231 PolarHBondContact O-NZ 3.3Å; V222-K231 CarbonylContact C-O 3.53Å; V222-K231 VanDerWaalsContact CA-O 3.27Å; V222-K231 WeakPolarHBondContact CA-O 3.38Å; S223-K231 PolarHBondContact N-O 3.45Å; S223-K231 PolarHBondContact O-N 2.81Å; K231-W233 HydrophobicContact CB-CH2 4.38Å; K231-W233 HydrophobicContact CB-CZ2 3.5Å; K231-W233 HydrophobicContact CD-CH2 3.77Å; K231-W233 HydrophobicContact CD-CZ2 3.53Å; K231-W233 HydrophobicContact CG-CZ2 4.13Å; K231-W233 PolarHBondContact O-NE1 3.16Å; K231-K242 WeakPolarHBondContact CA-O 3.46Å; K231-T243 HydrophobicContact CG-CG2 4.25Å; K231-T243 PolarHBondContact NZ-OG1 3.25Å
232M98.4Very high97.7Very high4 Ų436.4 Ų36.42%0.0219%0.188CC..EExtended strand (participates in β ladder)trans-107.4132.3170.7180174.6-68.900108.6L215 F220 L221 V222 C240 T241 K242 F244 L263 V277L215-M232 HydrophobicContact CD1-CE 4.04Å; L215-M232 HydrophobicContact CD1-SD 4.45Å; L215-M232 HydrophobicContact CD2-CE 4.48Å; F220-M232 HydrophobicContact CB-CG 4.08Å; F220-M232 HydrophobicContact CB-SD 4.35Å; F220-M232 HydrophobicContact CD1-CG 4.09Å; F220-M232 HydrophobicContact CD1-SD 4.27Å; F220-M232 HydrophobicContact CG-CG 4.34Å; F220-M232 HydrophobicContact CG-SD 4.29Å; L221-M232 CarbonylContact O-C 3.52Å; L221-M232 VanDerWaalsContact O-CA 3.32Å; L221-M232 WeakPolarHBondContact O-CA 3.5Å; V222-M232 HydrophobicContact CG1-CB 4.2Å; V222-M232 HydrophobicContact CG1-CE 3.71Å; V222-M232 HydrophobicContact CG1-CG 4.25Å; M232-C240 CarbonylContact O-C 3.46Å; M232-C240 WeakPolarHBondContact O-CA 3.36Å; M232-T241 PolarHBondContact O-N 2.97Å; M232-T241 PolarHBondContact O-OG1 2.87Å; M232-K242 HydrophobicContact CB-CB 4.12Å; M232-K242 PolarHBondContact N-O 3.22Å; M232-K242 PolarHBondContact O-N 2.84Å; M232-K242 HydrophobicContact SD-CD 4.37Å; M232-F244 HydrophobicContact CB-CE2 4.06Å; M232-F244 HydrophobicContact CE-CE2 4.22Å; M232-F244 HydrophobicContact CE-CZ 4Å; M232-L263 HydrophobicContact CE-CD1 4.27Å; M232-V277 HydrophobicContact CE-CB 4.35Å; M232-V277 HydrophobicContact CE-CG1 3.58Å; M232-V277 HydrophobicContact CE-CG2 4.07Å; M232-V277 HydrophobicContact SD-CG1 4.19Å
233W98.4Very high97.7Very high4 Ų438.5 Ų38.52%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-122.6135-174.6-44.385.3000109.1L202 T203 H205 F220 L221 S223 K231 Y239 C240L202-W233 HydrophobicContact CB-CD2 4.12Å; L202-W233 HydrophobicContact CB-CE3 3.82Å; L202-W233 HydrophobicContact CB-CH2 4.47Å; L202-W233 HydrophobicContact CB-CZ3 4Å; L202-W233 HydrophobicContact CD1-CB 3.73Å; L202-W233 HydrophobicContact CD1-CD2 3.94Å; L202-W233 HydrophobicContact CD1-CE3 4.27Å; L202-W233 HydrophobicContact CD1-CG 3.69Å; T203-W233 WeakPolarHBondContact O-CZ3 3.41Å; H205-W233 AromaticContact CD2-CZ2 3.86Å; F220-W233 CarbonylContact C-O 3.48Å; F220-W233 VanDerWaalsContact CA-O 3.22Å; F220-W233 WeakPolarHBondContact CA-O 3.39Å; L221-W233 HydrophobicContact CB-CB 4.41Å; L221-W233 PolarHBondContact N-O 2.97Å; L221-W233 PolarHBondContact O-N 3.27Å; S223-W233 PolarHBondContact OG-NE1 2.96Å; K231-W233 HydrophobicContact CB-CH2 4.38Å; K231-W233 HydrophobicContact CB-CZ2 3.5Å; K231-W233 HydrophobicContact CD-CH2 3.77Å; K231-W233 HydrophobicContact CD-CZ2 3.53Å; K231-W233 HydrophobicContact CG-CZ2 4.13Å; K231-W233 PolarHBondContact O-NE1 3.16Å; W233-Y239 VanDerWaalsContact CA-O 3.3Å; W233-Y239 WeakPolarHBondContact CA-O 3.37Å; W233-C240 HydrophobicContact CD2-CB 4.37Å; W233-C240 HydrophobicContact CE3-CB 3.68Å; W233-C240 HydrophobicContact CH2-CB 4.2Å; W233-C240 HydrophobicContact CZ3-CB 3.59Å
234E97.7Very high97.7Very high62 Ų6238.6 Ų38.629%0.2920%0.201SC..EExtended strand (participates in β ladder)trans-77.1125.8168.9-175.9-176.3-154.200109.4F220 S236 T237 G238 Y239 T241F220-E234 HydrophobicContact CD1-CB 4.11Å; F220-E234 HydrophobicContact CE1-CB 3.91Å; F220-E234 HydrophobicContact CE1-CG 4.11Å; E234-S236 VanDerWaalsContact C-N 3.34Å; E234-S236 VanDerWaalsContact CD-OG 3.24Å; E234-S236 VanDerWaalsContact CG-OG 3.32Å; E234-S236 WeakPolarHBondContact CG-OG 3.33Å; E234-S236 PolarHBondContact O-N 3.26Å; E234-S236 PolarHBondContact OE1-OG 3.17Å; E234-T237 WeakPolarHBondContact OE2-CB 3.44Å; E234-T237 WeakPolarHBondContact OE2-CG2 3.43Å; E234-T237 PolarHBondContact OE2-OG1 3.26Å; E234-G238 VanDerWaalsContact O-CA 3.22Å; E234-G238 WeakPolarHBondContact O-CA 3.29Å; E234-G238 PolarHBondContact O-N 3.29Å; E234-Y239 PolarHBondContact N-O 3.12Å; E234-T241 HydrophobicContact CB-CG2 3.88Å
235V96.9Very high97.6Very high17 Ų1744.7 Ų44.710%0.10323%0.233CC..THydrogen-bonded Turntrans-67.1-36.8-174.21740000111.5L190 K200 F214 D219 L221L190-V235 HydrophobicContact CD1-CG1 4.46Å; L190-V235 HydrophobicContact CD2-CG1 3.77Å; K200-V235 WeakPolarHBondContact CE-O 3.49Å; F214-V235 HydrophobicContact CD1-CG2 4.1Å; F214-V235 HydrophobicContact CE1-CG1 4.48Å; F214-V235 HydrophobicContact CE1-CG2 3.78Å; D219-V235 WeakPolarHBondContact O-CB 3.5Å; D219-V235 WeakPolarHBondContact O-CG2 3.23Å; D219-V235 PolarHBondContact O-N 3.02Å; L221-V235 HydrophobicContact CB-CG2 4.27Å
236S95.9Very high97.6Very high81 Ų8145.9 Ų45.957%0.56625%0.245SC*.THydrogen-bonded Turntrans-67.3-46.1-177.565.60000112.4K200 E234K200-S236 WeakPolarHBondContact CE-O 3.49Å; K200-S236 PolarHBondContact NZ-O 2.89Å; E234-S236 VanDerWaalsContact C-N 3.34Å; E234-S236 VanDerWaalsContact CD-OG 3.24Å; E234-S236 VanDerWaalsContact CG-OG 3.32Å; E234-S236 WeakPolarHBondContact CG-OG 3.33Å; E234-S236 PolarHBondContact O-N 3.26Å; E234-S236 PolarHBondContact OE1-OG 3.17Å
237T95.9Very high97.5Very high52 Ų5243.8 Ų43.832%0.31924%0.238SC..THydrogen-bonded Turntrans-92.4-38.9-176.663.10000111.8K200 E234 Y239K200-T237 PolarHBondContact NZ-O 2.59Å; E234-T237 WeakPolarHBondContact OE2-CB 3.44Å; E234-T237 WeakPolarHBondContact OE2-CG2 3.43Å; E234-T237 PolarHBondContact OE2-OG1 3.26Å; T237-Y239 VanDerWaalsContact CB-CD2 3.45Å; T237-Y239 HydrophobicContact CG2-CD2 4.21Å; T237-Y239 WeakPolarHBondContact OG1-CD2 3.4Å; T237-Y239 PolarHBondContact OG1-N 3.37Å
238G95.6Very high97.5Very high13 Ų1346.6 Ų46.613%0.13426%0.256CS..  trans87.78-170.400000113.6L202 E234L202-G238 VanDerWaalsContact CD2-CA 3.46Å; L202-G238 WeakPolarHBondContact CD2-O 3.35Å; E234-G238 VanDerWaalsContact O-CA 3.22Å; E234-G238 WeakPolarHBondContact O-CA 3.29Å; E234-G238 PolarHBondContact O-N 3.29Å
239Y97Very high97.5Very high171 Ų17146.5 Ų46.567%0.67126%0.257SS*.  trans-83.6144179.5-64.2-49.9000112.2W233 E234 T237 T241W233-Y239 VanDerWaalsContact CA-O 3.3Å; W233-Y239 WeakPolarHBondContact CA-O 3.37Å; E234-Y239 PolarHBondContact N-O 3.12Å; T237-Y239 VanDerWaalsContact CB-CD2 3.45Å; T237-Y239 HydrophobicContact CG2-CD2 4.21Å; T237-Y239 WeakPolarHBondContact OG1-CD2 3.4Å; T237-Y239 PolarHBondContact OG1-N 3.37Å; Y239-T241 PolarHBondContact O-N 2.83Å
240C97.4Very high97.5Very high51 Ų5149.4 Ų49.435%0.34527%0.266SS..EExtended strand (participates in β ladder)trans-71.6113.1169.4-178.50000109.2M232 W233 K242M232-C240 CarbonylContact O-C 3.46Å; M232-C240 WeakPolarHBondContact O-CA 3.36Å; W233-C240 HydrophobicContact CD2-CB 4.37Å; W233-C240 HydrophobicContact CE3-CB 3.68Å; W233-C240 HydrophobicContact CH2-CB 4.2Å; W233-C240 HydrophobicContact CZ3-CB 3.59Å; C240-K242 PolarHBondContact SG-O 2.85Å
241T96.7Very high97.5Very high62 Ų6249.5 Ų49.538%0.3827%0.266SS..EExtended strand (participates in β ladder)trans-90.4-37.1-179570000112.5F220 M232 E234 Y239F220-T241 HydrophobicContact CE1-CG2 4.11Å; M232-T241 PolarHBondContact O-N 2.97Å; M232-T241 PolarHBondContact O-OG1 2.87Å; E234-T241 HydrophobicContact CB-CG2 3.88Å; Y239-T241 PolarHBondContact O-N 2.83Å
242K97.4Very high97.5Very high37 Ų3750 Ų5016%0.16127%0.267CS..EExtended strand (participates in β ladder)trans-138.8145.1-179.4-58.5-175.8-178-171.70110.4K231 M232 C240 F244 V277 E278 R280K231-K242 WeakPolarHBondContact CA-O 3.46Å; M232-K242 HydrophobicContact CB-CB 4.12Å; M232-K242 PolarHBondContact N-O 3.22Å; M232-K242 PolarHBondContact O-N 2.84Å; M232-K242 HydrophobicContact SD-CD 4.37Å; C240-K242 PolarHBondContact SG-O 2.85Å; K242-F244 HydrophobicContact CB-CE2 4.04Å; K242-F244 HydrophobicContact CB-CZ 4.18Å; K242-F244 HydrophobicContact CD-CZ 4.47Å; K242-V277 VanDerWaalsContact CD-O 3.32Å; K242-V277 WeakPolarHBondContact CD-O 3.33Å; K242-V277 PolarHBondContact NZ-O 3.01Å; K242-E278 VanDerWaalsContact NZ-CA 3.35Å; K242-E278 PolarHBondContact NZ-O 2.52Å; K242-E278 IonicContact NZ-OE2 3.84Å; K242-E278 PolarHBondContact NZ-OE2 2.76Å; K242-R280 HydrophobicContact CB-CG 4.15Å; K242-R280 HydrophobicContact CD-CG 3.78Å; K242-R280 HydrophobicContact CG-CG 4.24Å
243T97.9Very high97.5Very high44 Ų4450 Ų5027%0.2727%0.268SS..EExtended strand (participates in β ladder)trans-123.7127.6169-62.10000107.9T229 I230 K231 I245T229-T243 HydrophobicContact CG2-CG2 4.18Å; I230-T243 CarbonylContact O-C 3.6Å; I230-T243 WeakPolarHBondContact O-CA 3.29Å; K231-T243 HydrophobicContact CG-CG2 4.25Å; K231-T243 PolarHBondContact NZ-OG1 3.25Å; T243-I245 HydrophobicContact CG2-CD1 4.4Å; T243-I245 HydrophobicContact CG2-CG1 4.04Å
244F98.3Very high97.5Very high2 Ų249.8 Ų49.81%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-104.3128.8178.4-49-105000108.6T229 I230 M232 K242 L263 W275 S276 R280T229-F244 WeakPolarHBondContact CA-O 3.3Å; I230-F244 HydrophobicContact CB-CB 4.1Å; I230-F244 HydrophobicContact CB-CD2 4.01Å; I230-F244 HydrophobicContact CB-CG 4.42Å; I230-F244 HydrophobicContact CG2-CD2 4.01Å; I230-F244 PolarHBondContact N-O 3.44Å; I230-F244 WeakPolarHBondContact O-CD2 3.45Å; I230-F244 PolarHBondContact O-N 3.38Å; M232-F244 HydrophobicContact CB-CE2 4.06Å; M232-F244 HydrophobicContact CE-CE2 4.22Å; M232-F244 HydrophobicContact CE-CZ 4Å; K242-F244 HydrophobicContact CB-CE2 4.04Å; K242-F244 HydrophobicContact CB-CZ 4.18Å; K242-F244 HydrophobicContact CD-CZ 4.47Å; F244-L263 HydrophobicContact CD2-CD1 4.32Å; F244-L263 HydrophobicContact CE1-CD1 4.18Å; F244-L263 HydrophobicContact CE2-CD1 3.82Å; F244-L263 HydrophobicContact CZ-CD1 3.75Å; F244-W275 HydrophobicContact CB-CD2 4.31Å; F244-W275 HydrophobicContact CB-CE3 4.07Å; F244-W275 HydrophobicContact CB-CZ3 4.35Å; F244-W275 HydrophobicContact CD1-CB 3.99Å; F244-W275 HydrophobicContact CD1-CD2 4.5Å; F244-W275 HydrophobicContact CD1-CE3 4.36Å; F244-W275 HydrophobicContact CD1-CG 4.37Å; F244-W275 HydrophobicContact CE1-CB 4.3Å; F244-S276 WeakPolarHBondContact CE1-O 3.14Å; F244-R280 HydrophobicContact CD1-CB 3.87Å; F244-R280 HydrophobicContact CD1-CG 4.26Å; F244-R280 HydrophobicContact CE1-CB 3.93Å; F244-R280 HydrophobicContact CE1-CG 3.92Å; F244-R280 HydrophobicContact CZ-CG 4.34Å
245I97.7Very high97.5Very high128 Ų12848.6 Ų48.666%0.65626%0.26SS*.EExtended strand (participates in β ladder)trans-128.4135-174.2-55.6173.9000107.8T229 T243 W275T229-I245 HydrophobicContact CG2-CG1 4.24Å; T243-I245 HydrophobicContact CG2-CD1 4.4Å; T243-I245 HydrophobicContact CG2-CG1 4.04Å; I245-W275 WeakPolarHBondContact O-CZ3 3.34Å
246G96.6Very high97.5Very high26 Ų2648.7 Ų48.727%0.26826%0.261SS..  trans161-17.7173.100000114.9R273G246-R273 PolarHBondContact O-NE 3.4Å; G246-R273 PolarHBondContact O-NH2 2.78Å
247H98.1Very high97.5Very high9 Ų945 Ų454%0.04224%0.235CC..  trans-65.6143.3165-86.2-63.7000110.4I251 S265 S267 D269 T271 W275H247-I251 HydrophobicContact CB-CD1 4.09Å; H247-I251 HydrophobicContact CB-CG1 3.86Å; H247-S265 PolarHBondContact CD2-OG 2.82Å; H247-S265 PolarHBondContact NE2-OG 3.11Å; H247-S267 VanDerWaalsContact CE1-CB 3.4Å; H247-S267 WeakPolarHBondContact CE1-CB 3.43Å; H247-S267 WeakPolarHBondContact ND1-CB 3.24Å; H247-D269 WeakPolarHBondContact CA-OD2 3.24Å; H247-D269 IonicContact CE1-OD1 3.94Å; H247-D269 IonicContact CE1-OD2 3.57Å; H247-D269 IonicContact CG-OD2 3.93Å; H247-D269 IonicContact ND1-OD1 3.46Å; H247-D269 PolarHBondContact ND1-OD1 3.42Å; H247-D269 IonicContact ND1-OD2 3.7Å; H247-D269 PolarHBondContact ND1-OD2 3.49Å; H247-T271 PolarHBondContact CE1-OG1 3.3Å; H247-T271 PolarHBondContact ND1-OG1 2.76Å; H247-W275 AromaticContact CD2-CZ2 3.83Å
248T97.9Very high97.2Very high90 Ų9045.1 Ų45.155%0.55224%0.237SC*.SBendtrans-96.6-13.3-177.4550000112.7K228 D269K228-T248 WeakPolarHBondContact CD-O 3.18Å; K228-T248 WeakPolarHBondContact CE-O 3.21Å; K228-T248 PolarHBondContact NZ-O 3.04Å; T248-D269 PolarHBondContact N-OD2 3.43Å; T248-D269 VanDerWaalsContact OG1-CB 3.22Å; T248-D269 WeakPolarHBondContact OG1-CB 3.46Å; T248-D269 PolarHBondContact OG1-OD2 2.71Å
249E98.5Very high97Very high74 Ų7451.8 Ų51.835%0.34626%0.264SS..SBendtrans-140.1178178.1-79.3-57.5128.300111.5K228 I251 S267 N268 D269K228-E249 IonicContact NZ-OE1 3.94Å; K228-E249 PolarHBondContact NZ-OE1 2.92Å; E249-I251 PolarHBondContact O-N 3.41Å; E249-S267 PolarHBondContact O-OG 3.36Å; E249-N268 HydrophobicContact CB-CB 3.68Å; E249-D269 HydrophobicContact CB-CB 4.06Å
250W98.5Very high96.7Very high82 Ų8244.1 Ų44.131%0.31124%0.237SC..  trans-49.1126.9-176.3-60.8-7.5000113.1R226 S267 N268R226-W250 HydrophobicContact CB-CB 4.28Å; R226-W250 HydrophobicContact CB-CD2 4.11Å; R226-W250 HydrophobicContact CB-CG 3.79Å; R226-W250 HydrophobicContact CG-CB 4.07Å; R226-W250 HydrophobicContact CG-CD2 3.81Å; R226-W250 HydrophobicContact CG-CE3 4.11Å; R226-W250 HydrophobicContact CG-CG 3.78Å; W250-S267 WeakPolarHBondContact O-CA 3.25Å; W250-S267 WeakPolarHBondContact O-CB 3.32Å; W250-S267 PolarHBondContact O-OG 3.01Å; W250-N268 HydrophobicContact CB-CB 4.27Å; W250-N268 PolarHBondContact O-N 2.93Å
251I98.7Very high96.6Very high1 Ų147 Ų471%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-80.7132.9174.9-49.3-179.1000107.9S210 A224 S225 I230 H247 E249 C266S210-I251 WeakPolarHBondContact CB-O 3.22Å; S210-I251 PolarHBondContact OG-O 3.36Å; A224-I251 HydrophobicContact CB-CB 3.95Å; A224-I251 HydrophobicContact CB-CG2 3.53Å; S225-I251 PolarHBondContact O-N 3.18Å; I230-I251 HydrophobicContact CD1-CD1 4.23Å; I230-I251 HydrophobicContact CG1-CD1 3.56Å; H247-I251 HydrophobicContact CB-CD1 4.09Å; H247-I251 HydrophobicContact CB-CG1 3.86Å; E249-I251 PolarHBondContact O-N 3.41Å; I251-C266 WeakPolarHBondContact CG2-O 3.23Å
252R98.5Very high96.6Very high39 Ų3945.4 Ų45.415%0.14724%0.238CC..EExtended strand (participates in β ladder)trans-97.5-45.5-176.2-70.5-66177.9-171.30.2113.2S210 C266 N268 V292 V293S210-R252 PolarHBondContact OG-O 3.37Å; R252-C266 PolarHBondContact N-O 3.49Å; R252-N268 PolarHBondContact NE-OD1 3.04Å; R252-N268 PolarHBondContact NH2-ND2 3.34Å; R252-N268 PolarHBondContact NH2-OD1 3.35Å; R252-V292 HydrophobicContact CG-CG1 3.95Å; R252-V293 WeakPolarHBondContact CB-O 3.3Å; R252-V293 WeakPolarHBondContact CG-O 3.39Å
253S98.3Very high96.6Very high5 Ų543.6 Ų43.64%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-142.9147179.7-175.90000110.6S265 C266S253-S265 CarbonylContact O-C 3.53Å; S253-S265 VanDerWaalsContact O-CA 3.23Å; S253-S265 WeakPolarHBondContact O-CA 3.28Å; S253-C266 VanDerWaalsContact CB-SG 3.57Å; S253-C266 PolarHBondContact O-N 3.42Å
254V98.4Very high96.6Very high0 Ų041.5 Ų41.50%022%0.218CC..EExtended strand (participates in β ladder)trans-128.9135.3167.461.30000109.8S211 V222 A224 I230 L263 A264S211-V254 PolarHBondContact OG-N 3.2Å; V222-V254 HydrophobicContact CG2-CG1 4.01Å; V222-V254 HydrophobicContact CG2-CG2 4Å; A224-V254 HydrophobicContact CB-CB 3.94Å; A224-V254 HydrophobicContact CB-CG1 3.67Å; I230-V254 HydrophobicContact CD1-CG2 4.27Å; I230-V254 HydrophobicContact CG2-CG2 4.04Å; V254-L263 HydrophobicContact CG2-CB 4.36Å; V254-A264 CarbonylContact C-O 3.52Å; V254-A264 VanDerWaalsContact CA-O 3.3Å; V254-A264 WeakPolarHBondContact CA-O 3.29Å
255R98.1Very high96.6Very high37 Ų3741.4 Ų41.414%0.1422%0.217CC..EExtended strand (participates in β ladder)trans-138.5122.6178.5-64.9-64.7173.7-118.57.6110.4D169 S211 V212 A264 I296 W298D169-R255 IonicContact OD1-NH2 3.69Å; D169-R255 IonicContact OD2-CZ 2.78Å; D169-R255 IonicContact OD2-NH1 3.26Å; D169-R255 PolarHBondContact OD2-NH1 3.35Å; D169-R255 IonicContact OD2-NH2 2.74Å; D169-R255 PolarHBondContact OD2-NH2 3.07Å; D169-R255 VanDerWaalsContact OD2-NH2 3.13Å; S211-R255 PolarHBondContact OG-NH1 2.99Å; V212-R255 PolarHBondContact O-NH1 3.07Å; R255-A264 PolarHBondContact N-O 3.32Å; R255-A264 PolarHBondContact O-N 2.93Å; R255-I296 HydrophobicContact CB-CD1 4.22Å; R255-I296 HydrophobicContact CB-CG1 4.34Å; R255-I296 HydrophobicContact CG-CD1 4.3Å; R255-I296 HydrophobicContact CG-CG1 3.96Å; R255-W298 PolarHBondContact O-NE1 3.31Å
256P97.4Very high96.6Very high18 Ų1835.3 Ų35.312%0.11719%0.186CC..EExtended strand (participates in β ladder)trans-64.3147.1170.5-22.635.4000112A213 L215 V222 L262 L263 W298A213-P256 HydrophobicContact CB-CG 4.24Å; L215-P256 HydrophobicContact CD2-CB 3.65Å; L215-P256 HydrophobicContact CD2-CG 3.6Å; V222-P256 HydrophobicContact CG2-CG 3.91Å; P256-L262 WeakPolarHBondContact CA-O 3.45Å; P256-L263 HydrophobicContact CB-CD2 3.92Å; P256-L263 HydrophobicContact CG-CD2 3.86Å; P256-W298 VanDerWaalsContact C-NE1 3.33Å; P256-W298 PolarHBondContact O-NE1 2.91Å; P256-W298 VanDerWaalsContact O-NE1 3.14Å
257S94.6Very high96.7Very high4 Ų434.1 Ų34.13%0.02817%0.173CC..  trans-66.9158.6169.467.90000110.8P216 E259 G260 L262P216-S257 WeakPolarHBondContact CG-O 3.22Å; S257-E259 PolarHBondContact O-N 3.46Å; S257-G260 PolarHBondContact O-N 2.96Å; S257-L262 PolarHBondContact N-O 2.8Å; S257-L262 PolarHBondContact OG-N 2.95Å; S257-L262 PolarHBondContact OG-O 3.32Å
258P90.9Very high96.8Very high55 Ų5535.2 Ų35.236%0.35718%0.18SC..THydrogen-bonded Turntrans-56.9-32.4179.9-26.836.2000114.1P216 G260 W298P216-P258 VanDerWaalsContact CG-O 3.27Å; P216-P258 WeakPolarHBondContact CG-O 2.88Å; P258-G260 VanDerWaalsContact C-N 3.33Å; P258-W298 HydrophobicContact CG-CB 4.4Å
259E89.4Confident96.8Very high152 Ų15232.1 Ų32.171%0.7116%0.159SC*.THydrogen-bonded Turntrans-81.4-10.5177-58.4-55.5130.200113.4S257 N261S257-E259 PolarHBondContact O-N 3.46Å; E259-N261 PolarHBondContact O-N 3.34Å
260G92.4Very high96.7Very high10 Ų1031.9 Ų31.910%0.10316%0.158CC..SBendtrans76.5-1.7178.700000115.8S257 P258 V277S257-G260 PolarHBondContact O-N 2.96Å; P258-G260 VanDerWaalsContact C-N 3.33Å; G260-V277 WeakPolarHBondContact O-CG2 3.49Å
261N94.3Very high96.7Very high111 Ų11128.1 Ų28.159%0.59415%0.145SC*.SBendtrans-85.4-18.9-177.5-62.8-32.4000113.8E259 V277E259-N261 PolarHBondContact O-N 3.34Å; N261-V277 WeakPolarHBondContact O-CB 3.44Å; N261-V277 PolarHBondContact O-N 2.89Å
262L96.3Very high96.7Very high29 Ų2928.1 Ų28.115%0.15215%0.145CC..EExtended strand (participates in β ladder)trans-124.8151-178.1-59.4173.2000110.9P256 S257 I274 W275 Q283 L349P256-L262 WeakPolarHBondContact CA-O 3.45Å; S257-L262 PolarHBondContact N-O 2.8Å; S257-L262 PolarHBondContact OG-N 2.95Å; S257-L262 PolarHBondContact OG-O 3.32Å; L262-I274 HydrophobicContact CB-CG2 4.25Å; L262-I274 HydrophobicContact CD1-CG2 4.2Å; L262-I274 HydrophobicContact CD2-CG2 4.33Å; L262-I274 HydrophobicContact CG-CG2 4.5Å; L262-W275 CarbonylContact C-O 3.54Å; L262-W275 VanDerWaalsContact CA-O 3.24Å; L262-W275 WeakPolarHBondContact CA-O 3.35Å; L262-Q283 VanDerWaalsContact CD2-OE1 3.29Å; L262-L349 HydrophobicContact CD1-CD2 3.46Å; L262-L349 VanDerWaalsContact CD1-CD2 3.46Å
263L97.6Very high96.7Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-116.3135.3167.1-55.8175.2000108.5L215 V222 I230 M232 F244 V254 P256 I274 W275 V277L215-L263 HydrophobicContact CD2-CD2 3.91Å; V222-L263 HydrophobicContact CG1-CD1 3.91Å; V222-L263 HydrophobicContact CG1-CD2 3.95Å; V222-L263 HydrophobicContact CG2-CD2 4.21Å; I230-L263 HydrophobicContact CG2-CD1 4.42Å; M232-L263 HydrophobicContact CE-CD1 4.27Å; F244-L263 HydrophobicContact CD2-CD1 4.32Å; F244-L263 HydrophobicContact CE1-CD1 4.18Å; F244-L263 HydrophobicContact CE2-CD1 3.82Å; F244-L263 HydrophobicContact CZ-CD1 3.75Å; V254-L263 HydrophobicContact CG2-CB 4.36Å; P256-L263 HydrophobicContact CB-CD2 3.92Å; P256-L263 HydrophobicContact CG-CD2 3.86Å; L263-I274 CarbonylContact O-C 3.52Å; L263-I274 VanDerWaalsContact O-CA 3.29Å; L263-I274 WeakPolarHBondContact O-CA 3.39Å; L263-W275 HydrophobicContact CB-CB 4.27Å; L263-W275 PolarHBondContact N-O 3.5Å; L263-W275 PolarHBondContact O-N 3.43Å; L263-V277 HydrophobicContact CD1-CG2 4.22Å; L263-V277 HydrophobicContact CD2-CG2 3.91Å; L263-V277 HydrophobicContact CG-CG2 3.64Å
264A98.1Very high96.7Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-100137.7162.200000108.8V254 R255 R273 I274 I296 W298 L351V254-A264 CarbonylContact C-O 3.52Å; V254-A264 VanDerWaalsContact CA-O 3.3Å; V254-A264 WeakPolarHBondContact CA-O 3.29Å; R255-A264 PolarHBondContact N-O 3.32Å; R255-A264 PolarHBondContact O-N 2.93Å; A264-R273 CarbonylContact C-O 3.6Å; A264-R273 WeakPolarHBondContact CA-O 3.32Å; A264-I274 HydrophobicContact CB-CD1 3.61Å; A264-I296 HydrophobicContact CB-CD1 3.61Å; A264-I296 WeakPolarHBondContact O-CD1 3.32Å; A264-W298 HydrophobicContact CB-CH2 4.14Å; A264-W298 HydrophobicContact CB-CZ2 3.38Å; A264-L351 HydrophobicContact CB-CD1 4.01Å; A264-L351 HydrophobicContact CB-CD2 3.94Å
265S98.5Very high96.6Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-133.2149.4170.263.90000111.3I230 H247 S253 I272 R273 W275I230-S265 VanDerWaalsContact CD1-CB 3.46Å; H247-S265 PolarHBondContact CD2-OG 2.82Å; H247-S265 PolarHBondContact NE2-OG 3.11Å; S253-S265 CarbonylContact O-C 3.53Å; S253-S265 VanDerWaalsContact O-CA 3.23Å; S253-S265 WeakPolarHBondContact O-CA 3.28Å; S265-I272 CarbonylContact O-C 3.48Å; S265-I272 WeakPolarHBondContact O-CA 3.43Å; S265-I272 WeakPolarHBondContact O-CG2 3.33Å; S265-R273 PolarHBondContact N-O 3.39Å; S265-R273 PolarHBondContact O-N 3.46Å; S265-W275 PolarHBondContact OG-NE1 3.3Å
266C98.4Very high96.6Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-129.7151.7178.367.10000110.6I251 R252 S253 I272 V293 I296I251-C266 WeakPolarHBondContact CG2-O 3.23Å; R252-C266 PolarHBondContact N-O 3.49Å; S253-C266 VanDerWaalsContact CB-SG 3.57Å; S253-C266 PolarHBondContact O-N 3.42Å; C266-I272 HydrophobicContact CB-CG1 3.99Å; C266-V293 HydrophobicContact CB-CB 3.79Å; C266-V293 HydrophobicContact CB-CG1 3.52Å; C266-I296 HydrophobicContact CB-CG2 3.73Å
267S98.5Very high96.5Very high0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-145.4165.4-165.2171.50000113.7H247 E249 W250 D269 H270 T271 V293H247-S267 VanDerWaalsContact CE1-CB 3.4Å; H247-S267 WeakPolarHBondContact CE1-CB 3.43Å; H247-S267 WeakPolarHBondContact ND1-CB 3.24Å; E249-S267 PolarHBondContact O-OG 3.36Å; W250-S267 WeakPolarHBondContact O-CA 3.25Å; W250-S267 WeakPolarHBondContact O-CB 3.32Å; W250-S267 PolarHBondContact O-OG 3.01Å; S267-D269 VanDerWaalsContact CB-OD1 3.29Å; S267-D269 WeakPolarHBondContact CB-OD1 3.42Å; S267-D269 PolarHBondContact O-N 2.77Å; S267-D269 PolarHBondContact OG-N 3.06Å; S267-D269 VanDerWaalsContact OG-N 3.09Å; S267-D269 PolarHBondContact OG-OD1 3.1Å; S267-H270 PolarHBondContact O-N 3.41Å; S267-T271 PolarHBondContact N-O 3.45Å; S267-V293 PolarHBondContact O-N 3.47Å
268N98.6Very high96.5Very high33 Ų3333.9 Ų33.918%0.17617%0.173CC..THydrogen-bonded Turntrans-58-17.3163.5-88.828.5000114.2E249 W250 R252 H270 V292E249-N268 HydrophobicContact CB-CB 3.68Å; W250-N268 HydrophobicContact CB-CB 4.27Å; W250-N268 PolarHBondContact O-N 2.93Å; R252-N268 PolarHBondContact NE-OD1 3.04Å; R252-N268 PolarHBondContact NH2-ND2 3.34Å; R252-N268 PolarHBondContact NH2-OD1 3.35Å; N268-H270 PolarHBondContact O-CD2 3.15Å; N268-H270 PolarHBondContact O-N 2.8Å; N268-V292 HydrophobicContact CB-CG2 4.28Å; N268-V292 WeakPolarHBondContact OD1-CG1 3.23Å
269D98.1Very high96.7Very high24 Ų2433.7 Ų33.713%0.12817%0.173CC..THydrogen-bonded Turntrans-78.48.9174.366.517.6000113.8H247 T248 E249 S267 T271H247-D269 WeakPolarHBondContact CA-OD2 3.24Å; H247-D269 IonicContact CE1-OD1 3.94Å; H247-D269 IonicContact CE1-OD2 3.57Å; H247-D269 IonicContact CG-OD2 3.93Å; H247-D269 IonicContact ND1-OD1 3.46Å; H247-D269 PolarHBondContact ND1-OD1 3.42Å; H247-D269 IonicContact ND1-OD2 3.7Å; H247-D269 PolarHBondContact ND1-OD2 3.49Å; T248-D269 PolarHBondContact N-OD2 3.43Å; T248-D269 VanDerWaalsContact OG1-CB 3.22Å; T248-D269 WeakPolarHBondContact OG1-CB 3.46Å; T248-D269 PolarHBondContact OG1-OD2 2.71Å; E249-D269 HydrophobicContact CB-CB 4.06Å; S267-D269 VanDerWaalsContact CB-OD1 3.29Å; S267-D269 WeakPolarHBondContact CB-OD1 3.42Å; S267-D269 PolarHBondContact O-N 2.77Å; S267-D269 PolarHBondContact OG-N 3.06Å; S267-D269 VanDerWaalsContact OG-N 3.09Å; S267-D269 PolarHBondContact OG-OD1 3.1Å; D269-T271 VanDerWaalsContact CG-OG1 3.31Å; D269-T271 PolarHBondContact O-N 3.44Å; D269-T271 VanDerWaalsContact O-N 3.17Å; D269-T271 WeakPolarHBondContact OD1-CB 3.48Å; D269-T271 PolarHBondContact OD1-N 2.94Å; D269-T271 PolarHBondContact OD1-OG1 2.58Å
270H98.2Very high96.9Very high70 Ų7033 Ų3332%0.32416%0.164SC..SBendtrans66.89.1178.8-47.7173.8000113.8S267 N268 E290 H291 V292S267-H270 PolarHBondContact O-N 3.41Å; N268-H270 PolarHBondContact O-CD2 3.15Å; N268-H270 PolarHBondContact O-N 2.8Å; H270-E290 PolarHBondContact CE1-O 2.58Å; H270-E290 VanDerWaalsContact CE1-O 3.31Å; H270-E290 PolarHBondContact ND1-O 3.25Å; H270-H291 WeakPolarHBondContact NE2-CA 3.46Å; H270-V292 PolarHBondContact CD2-N 3.14Å; H270-V292 PolarHBondContact NE2-N 3.28Å
271T98Very high97Very high3 Ų338.9 Ų38.92%0.01819%0.189CC..  trans-104.8154179.373.80000112H247 S267 D269 V285 R287H247-T271 PolarHBondContact CE1-OG1 3.3Å; H247-T271 PolarHBondContact ND1-OG1 2.76Å; S267-T271 PolarHBondContact N-O 3.45Å; D269-T271 VanDerWaalsContact CG-OG1 3.31Å; D269-T271 PolarHBondContact O-N 3.44Å; D269-T271 VanDerWaalsContact O-N 3.17Å; D269-T271 WeakPolarHBondContact OD1-CB 3.48Å; D269-T271 PolarHBondContact OD1-N 2.94Å; D269-T271 PolarHBondContact OD1-OG1 2.58Å; T271-V285 HydrophobicContact CG2-CG1 4.08Å; T271-R287 HydrophobicContact CG2-CG 4.26Å; T271-R287 VanDerWaalsContact CG2-NH1 3.3Å
272I98.4Very high97.1Very high1 Ų135.5 Ų35.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-112.5129.2163-55.4154000106.9S265 C266 I274 V285 L286 V293 I296 L351 S353 W363S265-I272 CarbonylContact O-C 3.48Å; S265-I272 WeakPolarHBondContact O-CA 3.43Å; S265-I272 WeakPolarHBondContact O-CG2 3.33Å; C266-I272 HydrophobicContact CB-CG1 3.99Å; I272-I274 HydrophobicContact CG2-CD1 4.38Å; I272-V285 CarbonylContact O-C 3.51Å; I272-V285 WeakPolarHBondContact O-CA 3.18Å; I272-L286 HydrophobicContact CB-CB 4.14Å; I272-L286 HydrophobicContact CB-CD1 4.21Å; I272-L286 HydrophobicContact CG2-CD1 4.17Å; I272-L286 PolarHBondContact N-O 2.85Å; I272-L286 VanDerWaalsContact N-O 3.1Å; I272-L286 PolarHBondContact O-N 3.2Å; I272-V293 HydrophobicContact CD1-CG1 4.25Å; I272-V293 HydrophobicContact CG1-CG1 4.02Å; I272-V293 HydrophobicContact CG1-CG2 4.41Å; I272-I296 HydrophobicContact CD1-CG2 4.4Å; I272-I296 HydrophobicContact CG1-CG2 4.34Å; I272-I296 HydrophobicContact CG2-CG2 4.35Å; I272-L351 HydrophobicContact CG2-CD2 3.63Å; I272-S353 WeakPolarHBondContact CD1-OG 3.48Å; I272-W363 HydrophobicContact CD1-CZ2 4.22Å
273R98.1Very high97Very high39 Ų3939.6 Ų39.615%0.14719%0.192CC..EExtended strand (participates in β ladder)trans-114.3138.5-179.7-69.4-177.8173.9-101.26.8110.4G246 A264 S265 W275 C282 V284 V285G246-R273 PolarHBondContact O-NE 3.4Å; G246-R273 PolarHBondContact O-NH2 2.78Å; A264-R273 CarbonylContact C-O 3.6Å; A264-R273 WeakPolarHBondContact CA-O 3.32Å; S265-R273 PolarHBondContact N-O 3.39Å; S265-R273 PolarHBondContact O-N 3.46Å; R273-W275 HydrophobicContact CB-CH2 4.45Å; R273-W275 HydrophobicContact CB-CZ2 3.55Å; R273-W275 HydrophobicContact CG-CZ2 4.11Å; R273-W275 PolarHBondContact O-NE1 3.04Å; R273-C282 PolarHBondContact NH1-SG 3.28Å; R273-V284 WeakPolarHBondContact CA-O 3.46Å; R273-V285 HydrophobicContact CG-CG1 4.36Å; R273-V285 HydrophobicContact CG-CG2 4.28Å
274I97.8Very high96.8Very high1 Ų141.3 Ų41.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-109.5123.9176.2-49.2-60000108L262 L263 A264 I272 C282 Q283 V284 W298 L351 V365L262-I274 HydrophobicContact CB-CG2 4.25Å; L262-I274 HydrophobicContact CD1-CG2 4.2Å; L262-I274 HydrophobicContact CD2-CG2 4.33Å; L262-I274 HydrophobicContact CG-CG2 4.5Å; L263-I274 CarbonylContact O-C 3.52Å; L263-I274 VanDerWaalsContact O-CA 3.29Å; L263-I274 WeakPolarHBondContact O-CA 3.39Å; A264-I274 HydrophobicContact CB-CD1 3.61Å; I272-I274 HydrophobicContact CG2-CD1 4.38Å; I274-C282 CarbonylContact O-C 3.55Å; I274-C282 WeakPolarHBondContact O-CA 3.31Å; I274-Q283 PolarHBondContact O-N 3.14Å; I274-V284 HydrophobicContact CB-CB 4.06Å; I274-V284 HydrophobicContact CG1-CB 4.02Å; I274-V284 PolarHBondContact N-O 3.3Å; I274-V284 PolarHBondContact O-N 3.37Å; I274-W298 HydrophobicContact CD1-CH2 3.98Å; I274-W298 HydrophobicContact CD1-CZ2 4.37Å; I274-W298 HydrophobicContact CG2-CH2 4.48Å; I274-L351 HydrophobicContact CD1-CD2 4.11Å; I274-V365 HydrophobicContact CB-CG1 4.33Å; I274-V365 HydrophobicContact CD1-CG1 4.22Å; I274-V365 HydrophobicContact CD1-CG2 4.26Å; I274-V365 HydrophobicContact CG1-CG1 3.74Å; I274-V365 HydrophobicContact CG1-CG2 4.48Å; I274-V365 HydrophobicContact CG2-CG1 3.99Å
275W97.7Very high96.8Very high4 Ų443.8 Ų43.82%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-114.9138-174-4583.9000110I230 F244 I245 H247 L262 L263 S265 R273 V277 E281 C282I230-W275 HydrophobicContact CD1-CZ2 4.35Å; F244-W275 HydrophobicContact CB-CD2 4.31Å; F244-W275 HydrophobicContact CB-CE3 4.07Å; F244-W275 HydrophobicContact CB-CZ3 4.35Å; F244-W275 HydrophobicContact CD1-CB 3.99Å; F244-W275 HydrophobicContact CD1-CD2 4.5Å; F244-W275 HydrophobicContact CD1-CE3 4.36Å; F244-W275 HydrophobicContact CD1-CG 4.37Å; F244-W275 HydrophobicContact CE1-CB 4.3Å; I245-W275 WeakPolarHBondContact O-CZ3 3.34Å; H247-W275 AromaticContact CD2-CZ2 3.83Å; L262-W275 CarbonylContact C-O 3.54Å; L262-W275 VanDerWaalsContact CA-O 3.24Å; L262-W275 WeakPolarHBondContact CA-O 3.35Å; L263-W275 HydrophobicContact CB-CB 4.27Å; L263-W275 PolarHBondContact N-O 3.5Å; L263-W275 PolarHBondContact O-N 3.43Å; S265-W275 PolarHBondContact OG-NE1 3.3Å; R273-W275 HydrophobicContact CB-CH2 4.45Å; R273-W275 HydrophobicContact CB-CZ2 3.55Å; R273-W275 HydrophobicContact CG-CZ2 4.11Å; R273-W275 PolarHBondContact O-NE1 3.04Å; W275-V277 PolarHBondContact O-N 2.95Å; W275-E281 WeakPolarHBondContact CA-O 3.49Å; W275-C282 HydrophobicContact CD2-CB 4.43Å; W275-C282 HydrophobicContact CE3-CB 3.74Å; W275-C282 HydrophobicContact CH2-CB 4.32Å; W275-C282 HydrophobicContact CZ3-CB 3.68Å
276S96.6Very high96.7Very high17 Ų1743.8 Ų43.812%0.11922%0.218CC..EExtended strand (participates in β ladder)trans-72.3123.5163.4178.50000109.3F244 E278 S279 R280 E281F244-S276 WeakPolarHBondContact CE1-O 3.14Å; S276-E278 PolarHBondContact O-N 3.24Å; S276-E278 PolarHBondContact OG-N 2.9Å; S276-S279 VanDerWaalsContact CB-OG 3.24Å; S276-S279 WeakPolarHBondContact CB-OG 3.27Å; S276-S279 PolarHBondContact OG-N 3.28Å; S276-S279 PolarHBondContact OG-OG 2.85Å; S276-R280 VanDerWaalsContact O-CA 3.25Å; S276-R280 WeakPolarHBondContact O-CA 3.3Å; S276-R280 PolarHBondContact O-N 2.96Å; S276-E281 PolarHBondContact N-O 2.93Å
277V95.7Very high96.6Very high17 Ų1752 Ų5210%0.10325%0.248CC..THydrogen-bonded Turntrans-60-36.3174.3165.30000110.9M232 K242 G260 N261 L263 W275M232-V277 HydrophobicContact CE-CB 4.35Å; M232-V277 HydrophobicContact CE-CG1 3.58Å; M232-V277 HydrophobicContact CE-CG2 4.07Å; M232-V277 HydrophobicContact SD-CG1 4.19Å; K242-V277 VanDerWaalsContact CD-O 3.32Å; K242-V277 WeakPolarHBondContact CD-O 3.33Å; K242-V277 PolarHBondContact NZ-O 3.01Å; G260-V277 WeakPolarHBondContact O-CG2 3.49Å; N261-V277 WeakPolarHBondContact O-CB 3.44Å; N261-V277 PolarHBondContact O-N 2.89Å; L263-V277 HydrophobicContact CD1-CG2 4.22Å; L263-V277 HydrophobicContact CD2-CG2 3.91Å; L263-V277 HydrophobicContact CG-CG2 3.64Å; W275-V277 PolarHBondContact O-N 2.95Å
278E94.9Very high96.4Very high146 Ų14653.5 Ų53.568%0.68226%0.264SS*.THydrogen-bonded Turntrans-77.6-57.5-175.2-172.351.4-155.700112.4K242 S276 R280K242-E278 VanDerWaalsContact NZ-CA 3.35Å; K242-E278 PolarHBondContact NZ-O 2.52Å; K242-E278 IonicContact NZ-OE2 3.84Å; K242-E278 PolarHBondContact NZ-OE2 2.76Å; S276-E278 PolarHBondContact O-N 3.24Å; S276-E278 PolarHBondContact OG-N 2.9Å; E278-R280 PolarHBondContact O-N 3.43Å
279S95Very high96.3Very high51 Ų5152.5 Ų52.536%0.35726%0.258SS..THydrogen-bonded Turntrans-78.6-19.1-176.371.80000113.9S276 E281S276-S279 VanDerWaalsContact CB-OG 3.24Å; S276-S279 WeakPolarHBondContact CB-OG 3.27Å; S276-S279 PolarHBondContact OG-N 3.28Å; S276-S279 PolarHBondContact OG-OG 2.85Å; S279-E281 PolarHBondContact O-N 3.5Å; S279-E281 WeakPolarHBondContact OG-CB 3.3Å; S279-E281 PolarHBondContact OG-N 3.14Å
280R94.4Very high96.2Very high136 Ų13658.9 Ų58.951%0.51329%0.287SS..  trans68.28.1-170.9-51.4167.4-69.6174.6-1.3114.8K242 F244 S276 E278K242-R280 HydrophobicContact CB-CG 4.15Å; K242-R280 HydrophobicContact CD-CG 3.78Å; K242-R280 HydrophobicContact CG-CG 4.24Å; F244-R280 HydrophobicContact CD1-CB 3.87Å; F244-R280 HydrophobicContact CD1-CG 4.26Å; F244-R280 HydrophobicContact CE1-CB 3.93Å; F244-R280 HydrophobicContact CE1-CG 3.92Å; F244-R280 HydrophobicContact CZ-CG 4.34Å; S276-R280 VanDerWaalsContact O-CA 3.25Å; S276-R280 WeakPolarHBondContact O-CA 3.3Å; S276-R280 PolarHBondContact O-N 2.96Å; E278-R280 PolarHBondContact O-N 3.43Å
281E94.5Very high96.2Very high134 Ų13459.1 Ų59.163%0.62629%0.288SS*.  trans-83.5144.9-179.3-63.4179.3152.700111.4W275 S276 S279 Q283W275-E281 WeakPolarHBondContact CA-O 3.49Å; S276-E281 PolarHBondContact N-O 2.93Å; S279-E281 PolarHBondContact O-N 3.5Å; S279-E281 WeakPolarHBondContact OG-CB 3.3Å; S279-E281 PolarHBondContact OG-N 3.14Å; E281-Q283 PolarHBondContact O-N 3.48Å
282C95.4Very high96.3Very high41 Ų4159.4 Ų59.428%0.27729%0.29SS..EExtended strand (participates in β ladder)trans-76.9108.7169.8-175.80000108.7R273 I274 W275R273-C282 PolarHBondContact NH1-SG 3.28Å; I274-C282 CarbonylContact O-C 3.55Å; I274-C282 WeakPolarHBondContact O-CA 3.31Å; W275-C282 HydrophobicContact CD2-CB 4.43Å; W275-C282 HydrophobicContact CE3-CB 3.74Å; W275-C282 HydrophobicContact CH2-CB 4.32Å; W275-C282 HydrophobicContact CZ3-CB 3.68Å
283Q94Very high96.3Very high114 Ų11459.3 Ų59.353%0.53329%0.29SS..EExtended strand (participates in β ladder)trans-80.5-41.6-179-65.6-169.7-27.200112.3L262 I274 E281L262-Q283 VanDerWaalsContact CD2-OE1 3.29Å; I274-Q283 PolarHBondContact O-N 3.14Å; E281-Q283 PolarHBondContact O-N 3.48Å
284V94.6Very high96.3Very high36 Ų3658.8 Ų58.822%0.21829%0.289CS..EExtended strand (participates in β ladder)trans-137.5140.2-174.3-1760000109.8R273 I274 L286R273-V284 WeakPolarHBondContact CA-O 3.46Å; I274-V284 HydrophobicContact CB-CB 4.06Å; I274-V284 HydrophobicContact CG1-CB 4.02Å; I274-V284 PolarHBondContact N-O 3.3Å; I274-V284 PolarHBondContact O-N 3.37Å; V284-L286 HydrophobicContact CG1-CD2 3.67Å; V284-L286 HydrophobicContact CG1-CG 4.21Å
285V96.8Very high96.3Very high52 Ų5258.8 Ų58.832%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-121.6109172-173.70000108.3T271 I272 R273 R287T271-V285 HydrophobicContact CG2-CG1 4.08Å; I272-V285 CarbonylContact O-C 3.51Å; I272-V285 WeakPolarHBondContact O-CA 3.18Å; R273-V285 HydrophobicContact CG-CG1 4.36Å; R273-V285 HydrophobicContact CG-CG2 4.28Å; V285-R287 HydrophobicContact CG1-CG 4.24Å
286L96.9Very high96.3Very high1 Ų158.8 Ų58.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-87.7127.1177.6-50.6170.5000109.1I272 V284 L351 W363 V365I272-L286 HydrophobicContact CB-CB 4.14Å; I272-L286 HydrophobicContact CB-CD1 4.21Å; I272-L286 HydrophobicContact CG2-CD1 4.17Å; I272-L286 PolarHBondContact N-O 2.85Å; I272-L286 VanDerWaalsContact N-O 3.1Å; I272-L286 PolarHBondContact O-N 3.2Å; V284-L286 HydrophobicContact CG1-CD2 3.67Å; V284-L286 HydrophobicContact CG1-CG 4.21Å; L286-L351 HydrophobicContact CD1-CD2 4.21Å; L286-W363 HydrophobicContact CB-CD2 4.15Å; L286-W363 HydrophobicContact CB-CE3 3.83Å; L286-W363 HydrophobicContact CB-CH2 4.4Å; L286-W363 HydrophobicContact CB-CZ3 3.96Å; L286-W363 HydrophobicContact CD1-CB 3.79Å; L286-W363 HydrophobicContact CD1-CD2 3.94Å; L286-W363 HydrophobicContact CD1-CE3 4.22Å; L286-W363 HydrophobicContact CD1-CG 3.75Å; L286-W363 HydrophobicContact CD2-CE3 4.07Å; L286-W363 HydrophobicContact CG-CD2 4.46Å; L286-W363 HydrophobicContact CG-CE3 4.26Å; L286-V365 HydrophobicContact CD1-CG2 4.44Å
287R96.5Very high96.3Very high172 Ų17258.7 Ų58.765%0.64929%0.289SS*.  trans-125.5142.8179.8-61.3-178-179.9-83.50.9109.2T271 V285 W363T271-R287 HydrophobicContact CG2-CG 4.26Å; T271-R287 VanDerWaalsContact CG2-NH1 3.3Å; V285-R287 HydrophobicContact CG1-CG 4.24Å; R287-W363 WeakPolarHBondContact O-CH2 3.14Å; R287-W363 WeakPolarHBondContact O-CZ3 3.26Å
288G93.7Very high96.3Very high32 Ų3258.9 Ų58.933%0.3329%0.288SS..  trans155.7-19.7176.500000113.7R361G288-R361 PolarHBondContact O-NE 2.88Å; G288-R361 PolarHBondContact O-NH2 2.89Å
289H97.4Very high96.1Very high12 Ų1252.3 Ų52.36%0.05626%0.259CS..  trans-70.2141.8166.8-79.5-63000111.1V293 S353 S355 D357 T359 R361H289-V293 HydrophobicContact CB-CG2 3.74Å; H289-V293 VanDerWaalsContact CD2-CG2 3.43Å; H289-V293 WeakPolarHBondContact CD2-CG2 3.35Å; H289-S353 PolarHBondContact NE2-OG 2.8Å; H289-S355 WeakPolarHBondContact CE1-CB 3.13Å; H289-S355 WeakPolarHBondContact ND1-CB 3.28Å; H289-D357 VanDerWaalsContact CA-OD2 3.3Å; H289-D357 WeakPolarHBondContact CA-OD2 3.37Å; H289-D357 WeakPolarHBondContact CB-OD2 3.37Å; H289-D357 IonicContact CE1-OD1 3.48Å; H289-D357 IonicContact CE1-OD2 3.53Å; H289-D357 IonicContact CG-OD2 3.35Å; H289-D357 IonicContact ND1-OD1 3.94Å; H289-D357 PolarHBondContact ND1-OD1 3.47Å; H289-D357 IonicContact ND1-OD2 3.63Å; H289-D357 PolarHBondContact ND1-OD2 3.36Å; H289-T359 PolarHBondContact CE1-OG1 3.03Å; H289-T359 VanDerWaalsContact CE1-OG1 3.28Å; H289-T359 PolarHBondContact ND1-OG1 2.77Å; H289-R361 VanDerWaalsContact CE1-CD 3.45Å; H289-R361 WeakPolarHBondContact CE1-CD 3.49Å; H289-R361 VanDerWaalsContact CE1-CG 3.43Å; H289-R361 WeakPolarHBondContact CE1-CG 3.44Å
290E96.7Very high95.7Very high158 Ų15853.3 Ų53.374%0.73827%0.266SS*.SBendtrans-95.2-6.6-178-63.9-179.517400112.4H270 D357H270-E290 PolarHBondContact CE1-O 2.58Å; H270-E290 VanDerWaalsContact CE1-O 3.31Å; H270-E290 PolarHBondContact ND1-O 3.25Å; E290-D357 HydrophobicContact CB-CB 4.27Å; E290-D357 PolarHBondContact N-OD2 3.15Å; E290-D357 VanDerWaalsContact N-OD2 3.07Å
291H98.1Very high95.2Very high74 Ų7450.2 Ų50.234%0.34326%0.257SS..SBendtrans-144.9174.3179.1-155.1-77.5000110.3H270 V293 S355 R356 D357H270-H291 WeakPolarHBondContact NE2-CA 3.46Å; H291-V293 PolarHBondContact O-N 3.4Å; H291-S355 PolarHBondContact O-OG 3.33Å; H291-R356 HydrophobicContact CB-CB 4.11Å; H291-R356 WeakPolarHBondContact ND1-CB 3.15Å; H291-D357 HydrophobicContact CB-CB 3.98Å
292V98.5Very high94.6Very high9 Ų948 Ų486%0.05525%0.254CS..  trans-39.1124.5173.2178.50000112R252 N268 H270 S355 R356R252-V292 HydrophobicContact CG-CG1 3.95Å; N268-V292 HydrophobicContact CB-CG2 4.28Å; N268-V292 WeakPolarHBondContact OD1-CG1 3.23Å; H270-V292 PolarHBondContact CD2-N 3.14Å; H270-V292 PolarHBondContact NE2-N 3.28Å; V292-S355 WeakPolarHBondContact O-CA 3.48Å; V292-S355 PolarHBondContact O-OG 3.37Å; V292-R356 HydrophobicContact CB-CB 4.41Å; V292-R356 HydrophobicContact CB-CG 4.05Å; V292-R356 HydrophobicContact CG1-CG 4.47Å; V292-R356 PolarHBondContact O-N 2.83Å
293V98.5Very high94Very high0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-87.3119.2172.3-171.70000108.1R252 C266 S267 I272 H289 H291 I296R252-V293 WeakPolarHBondContact CB-O 3.3Å; R252-V293 WeakPolarHBondContact CG-O 3.39Å; C266-V293 HydrophobicContact CB-CB 3.79Å; C266-V293 HydrophobicContact CB-CG1 3.52Å; S267-V293 PolarHBondContact O-N 3.47Å; I272-V293 HydrophobicContact CD1-CG1 4.25Å; I272-V293 HydrophobicContact CG1-CG1 4.02Å; I272-V293 HydrophobicContact CG1-CG2 4.41Å; H289-V293 HydrophobicContact CB-CG2 3.74Å; H289-V293 VanDerWaalsContact CD2-CG2 3.43Å; H289-V293 WeakPolarHBondContact CD2-CG2 3.35Å; H291-V293 PolarHBondContact O-N 3.4Å; V293-I296 HydrophobicContact CG1-CG2 4.49Å
294E98Very high93.4Very high27 Ų2744.9 Ų44.913%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-92.9-41.2-168.5-159.778.4173.700111.8G354 R356 V381 R382E294-G354 PolarHBondContact N-O 2.69Å; E294-R356 IonicContact OE1-CZ 3.49Å; E294-R356 IonicContact OE1-NE 3.98Å; E294-R356 IonicContact OE1-NH2 3.44Å; E294-R356 PolarHBondContact OE1-NH2 3.2Å; E294-R356 IonicContact OE2-CZ 2.71Å; E294-R356 VanDerWaalsContact OE2-CZ 3.3Å; E294-R356 IonicContact OE2-NE 3.04Å; E294-R356 PolarHBondContact OE2-NE 2.74Å; E294-R356 IonicContact OE2-NH2 2.71Å; E294-R356 PolarHBondContact OE2-NH2 2.65Å; E294-V381 WeakPolarHBondContact CB-O 3.37Å; E294-R382 IonicContact OE1-CZ 3.31Å; E294-R382 IonicContact OE1-NH1 3.74Å; E294-R382 PolarHBondContact OE1-NH1 3.28Å
295C97.8Very high92.9Very high2 Ų244.9 Ų44.91%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-143.9156.6-175.166.60000112.4S353 G354 R382C295-S353 WeakPolarHBondContact O-CA 3.26Å; C295-G354 PolarHBondContact N-O 3.32Å; C295-G354 PolarHBondContact O-N 3.01Å; C295-R382 WeakPolarHBondContact CB-O 3.37Å
296I97.8Very high92.3Very high4 Ų447.3 Ų47.32%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-140.2149.7178.649.1171.2000110.6R255 A264 C266 I272 V293 L351 V352R255-I296 HydrophobicContact CB-CD1 4.22Å; R255-I296 HydrophobicContact CB-CG1 4.34Å; R255-I296 HydrophobicContact CG-CD1 4.3Å; R255-I296 HydrophobicContact CG-CG1 3.96Å; A264-I296 HydrophobicContact CB-CD1 3.61Å; A264-I296 WeakPolarHBondContact O-CD1 3.32Å; C266-I296 HydrophobicContact CB-CG2 3.73Å; I272-I296 HydrophobicContact CD1-CG2 4.4Å; I272-I296 HydrophobicContact CG1-CG2 4.34Å; I272-I296 HydrophobicContact CG2-CG2 4.35Å; V293-I296 HydrophobicContact CG1-CG2 4.49Å; I296-L351 HydrophobicContact CB-CD1 4.38Å; I296-L351 HydrophobicContact CG2-CD2 4.48Å; I296-V352 CarbonylContact C-O 3.55Å; I296-V352 VanDerWaalsContact CA-O 3.25Å; I296-V352 WeakPolarHBondContact CA-O 3.49Å
297A96.7Very high91.5Very high14 Ų1447.5 Ų47.512%0.11625%0.246CC..EExtended strand (participates in β ladder)trans-144.7132.4175.500000110.8V352 L384 F386A297-V352 PolarHBondContact N-O 3.28Å; A297-V352 PolarHBondContact O-N 2.89Å; A297-L384 HydrophobicContact CB-CB 4.41Å; A297-F386 HydrophobicContact CB-CD2 4.11Å; A297-F386 HydrophobicContact CB-CE2 3.99Å
298W95.4Very high90.9Very high22 Ų2239.3 Ų39.38%0.08322%0.215CC..EExtended strand (participates in β ladder)trans-78.8137.3172.4-66.3100.5000110.4R255 P256 P258 A264 I274 S300 L349 L351 V365 F386R255-W298 PolarHBondContact O-NE1 3.31Å; P256-W298 VanDerWaalsContact C-NE1 3.33Å; P256-W298 PolarHBondContact O-NE1 2.91Å; P256-W298 VanDerWaalsContact O-NE1 3.14Å; P258-W298 HydrophobicContact CG-CB 4.4Å; A264-W298 HydrophobicContact CB-CH2 4.14Å; A264-W298 HydrophobicContact CB-CZ2 3.38Å; I274-W298 HydrophobicContact CD1-CH2 3.98Å; I274-W298 HydrophobicContact CD1-CZ2 4.37Å; I274-W298 HydrophobicContact CG2-CH2 4.48Å; W298-S300 PolarHBondContact O-N 3.15Å; W298-L349 HydrophobicContact CE3-CD1 3.79Å; W298-L349 HydrophobicContact CE3-CG 4.03Å; W298-L349 HydrophobicContact CH2-CD1 4.43Å; W298-L349 HydrophobicContact CH2-CD2 3.8Å; W298-L349 HydrophobicContact CH2-CG 4.19Å; W298-L349 HydrophobicContact CZ3-CD1 3.64Å; W298-L349 HydrophobicContact CZ3-CD2 3.55Å; W298-L349 HydrophobicContact CZ3-CG 3.41Å; W298-L349 VanDerWaalsContact CZ3-CG 3.41Å; W298-L351 HydrophobicContact CD2-CD1 3.54Å; W298-L351 HydrophobicContact CE3-CB 4.2Å; W298-L351 HydrophobicContact CE3-CD1 3.7Å; W298-L351 HydrophobicContact CG-CD1 3.91Å; W298-L351 HydrophobicContact CH2-CD1 4.47Å; W298-L351 HydrophobicContact CZ2-CD1 4.36Å; W298-L351 HydrophobicContact CZ3-CB 4.22Å; W298-L351 HydrophobicContact CZ3-CD1 4.11Å; W298-V365 HydrophobicContact CH2-CG1 4.45Å; W298-V365 HydrophobicContact CH2-CG2 4.22Å; W298-V365 HydrophobicContact CZ3-CB 4.39Å; W298-V365 HydrophobicContact CZ3-CG2 3.79Å; W298-F386 WeakPolarHBondContact O-CE2 3.43Å
299A92Very high90.5Very high7 Ų740.3 Ų40.36%0.05821%0.213CC..  trans-80.1103.7168.700000108.8I305 I308 L350 F386A299-I305 HydrophobicContact CB-CG1 4.24Å; A299-I308 HydrophobicContact CB-CD1 4.02Å; A299-L350 HydrophobicContact CB-CB 3.96Å; A299-L350 PolarHBondContact N-O 3.08Å; A299-F386 HydrophobicContact CB-CE1 4.27Å; A299-F386 HydrophobicContact CB-CE2 4.07Å; A299-F386 HydrophobicContact CB-CZ 3.69Å
300S86.3Confident89.8Confident72 Ų7241.4 Ų41.450%0.50322%0.222SC..  trans-99.5-20.6179.962.80000113.6W298W298-S300 PolarHBondContact O-N 3.15Å
301H83.7Confident89Confident72 Ų7233.9 Ų33.933%0.33319%0.187SC..SBendtrans-86.5132-176.6-168.3-81.4000110.7Q303 S304 I305 P388H301-Q303 VanDerWaalsContact C-N 3.26Å; H301-Q303 VanDerWaalsContact CE1-CB 3.48Å; H301-Q303 WeakPolarHBondContact CE1-CB 3.3Å; H301-Q303 WeakPolarHBondContact ND1-CB 3.46Å; H301-Q303 PolarHBondContact ND1-N 2.93Å; H301-Q303 PolarHBondContact O-N 3.32Å; H301-S304 WeakPolarHBondContact O-CB 3.45Å; H301-S304 PolarHBondContact O-N 3.29Å; H301-I305 PolarHBondContact O-N 3.07Å; H301-I305 VanDerWaalsContact O-N 3.17Å; H301-P388 PolarHBondContact CD2-O 2.89Å; H301-P388 VanDerWaalsContact CD2-O 3.29Å
302P82.5Confident88.2Confident86 Ų8632 Ų3256%0.55818%0.184SC*.Hα-helixtrans-53.6-41.1-179.6-28.335000113.4S304 I305 L306P302-S304 VanDerWaalsContact C-N 3.33Å; P302-S304 PolarHBondContact O-N 2.71Å; P302-I305 PolarHBondContact O-N 2.78Å; P302-L306 WeakPolarHBondContact O-CG 3.26Å; P302-L306 PolarHBondContact O-N 2.75Å
303Q81.8Confident87Confident90 Ų9035.9 Ų35.942%0.42121%0.212SC..Hα-helixtrans-63.4-34.4176.7-167.663.710.300113.5H301 A307H301-Q303 VanDerWaalsContact C-N 3.26Å; H301-Q303 VanDerWaalsContact CE1-CB 3.48Å; H301-Q303 WeakPolarHBondContact CE1-CB 3.3Å; H301-Q303 WeakPolarHBondContact ND1-CB 3.46Å; H301-Q303 PolarHBondContact ND1-N 2.93Å; H301-Q303 PolarHBondContact O-N 3.32Å; Q303-A307 VanDerWaalsContact O-CB 3.25Å; Q303-A307 WeakPolarHBondContact O-CB 3.3Å; Q303-A307 PolarHBondContact O-N 3.1Å
304S82.4Confident85.3Confident0 Ų041.9 Ų41.90%024%0.24CC..Hα-helixtrans-65.5-44.4174-58.70000110.5H301 P302 A307 I308 G390H301-S304 WeakPolarHBondContact O-CB 3.45Å; H301-S304 PolarHBondContact O-N 3.29Å; P302-S304 VanDerWaalsContact C-N 3.33Å; P302-S304 PolarHBondContact O-N 2.71Å; S304-A307 PolarHBondContact O-N 2.89Å; S304-I308 WeakPolarHBondContact O-CB 3.29Å; S304-I308 WeakPolarHBondContact O-CD1 3.37Å; S304-I308 WeakPolarHBondContact O-CG1 3.46Å; S304-I308 PolarHBondContact O-N 2.92Å; S304-G390 WeakPolarHBondContact CA-O 3.44Å; S304-G390 WeakPolarHBondContact CB-O 3.46Å; S304-G390 PolarHBondContact N-O 3.42Å; S304-G390 VanDerWaalsContact OG-C 3.23Å; S304-G390 WeakPolarHBondContact OG-CA 3.45Å; S304-G390 PolarHBondContact OG-O 3.32Å
305I84.3Confident82.7Confident37 Ų3742.2 Ų42.219%0.1925%0.251CS..Hα-helixtrans-61.9-48.5179.9-61.9169.4000110.2A299 H301 P302 A307 I308 N309 L350A299-I305 HydrophobicContact CB-CG1 4.24Å; H301-I305 PolarHBondContact O-N 3.07Å; H301-I305 VanDerWaalsContact O-N 3.17Å; P302-I305 PolarHBondContact O-N 2.78Å; I305-A307 PolarHBondContact O-N 3.14Å; I305-I308 PolarHBondContact O-N 3.35Å; I305-N309 WeakPolarHBondContact O-CB 3.43Å; I305-N309 PolarHBondContact O-N 3.2Å; I305-L350 HydrophobicContact CB-CD1 4.14Å; I305-L350 HydrophobicContact CG1-CD1 4.25Å; I305-L350 HydrophobicContact CG2-CD1 3.85Å
306L83.8Confident79.8Confident102 Ų10245.3 Ų45.353%0.53428%0.282SS..Hα-helixtrans-60.2-44.6176.1-70.5173.9000112.2P302 N309 S310P302-L306 WeakPolarHBondContact O-CG 3.26Å; P302-L306 PolarHBondContact O-N 2.75Å; L306-N309 PolarHBondContact O-N 2.89Å; L306-S310 WeakPolarHBondContact O-CB 3.41Å; L306-S310 PolarHBondContact O-N 3.47Å; L306-S310 PolarHBondContact O-OG 2.89Å
307A80.2Confident76.5Confident5 Ų551.7 Ų51.74%0.04132%0.317CS..Hα-helixtrans-62.1-4617900000111.5Q303 S304 I305 S310 S311 L407 K408Q303-A307 VanDerWaalsContact O-CB 3.25Å; Q303-A307 WeakPolarHBondContact O-CB 3.3Å; Q303-A307 PolarHBondContact O-N 3.1Å; S304-A307 PolarHBondContact O-N 2.89Å; I305-A307 PolarHBondContact O-N 3.14Å; A307-S310 PolarHBondContact O-N 2.88Å; A307-S310 PolarHBondContact O-OG 2.8Å; A307-S311 WeakPolarHBondContact O-CB 3.3Å; A307-S311 PolarHBondContact O-N 2.89Å; A307-S311 PolarHBondContact O-OG 2.98Å; A307-L407 HydrophobicContact CB-CB 3.77Å; A307-K408 HydrophobicContact CB-CB 4.5Å
308I83.2Confident73.4Confident1 Ų156.7 Ų56.71%0.00535%0.351CS..Hα-helixtrans-62.4-49.2178.1-66.7163.6000110.5A299 S304 I305 S310 S311 A312 L350 F362 L371 F372 F386 L407A299-I308 HydrophobicContact CB-CD1 4.02Å; S304-I308 WeakPolarHBondContact O-CB 3.29Å; S304-I308 WeakPolarHBondContact O-CD1 3.37Å; S304-I308 WeakPolarHBondContact O-CG1 3.46Å; S304-I308 PolarHBondContact O-N 2.92Å; I305-I308 PolarHBondContact O-N 3.35Å; I308-S310 PolarHBondContact O-N 2.82Å; I308-S311 WeakPolarHBondContact CA-OG 3.21Å; I308-S311 PolarHBondContact O-N 2.92Å; I308-S311 PolarHBondContact O-OG 3.35Å; I308-A312 PolarHBondContact O-N 2.95Å; I308-L350 HydrophobicContact CB-CD1 3.82Å; I308-L350 HydrophobicContact CD1-CB 4.47Å; I308-L350 HydrophobicContact CD1-CD1 4.01Å; I308-L350 HydrophobicContact CG2-CD1 3.71Å; I308-L350 HydrophobicContact CG2-CD2 4.14Å; I308-L350 HydrophobicContact CG2-CG 4.47Å; I308-F362 HydrophobicContact CD1-CD1 3.76Å; I308-F362 HydrophobicContact CD1-CE1 3.85Å; I308-F362 HydrophobicContact CG1-CD1 3.75Å; I308-F362 HydrophobicContact CG1-CE1 3.82Å; I308-F362 HydrophobicContact CG2-CD1 4.09Å; I308-L371 HydrophobicContact CG2-CD1 3.75Å; I308-F372 HydrophobicContact CG1-CZ 4.46Å; I308-F372 HydrophobicContact CG2-CE1 3.81Å; I308-F372 HydrophobicContact CG2-CZ 4.15Å; I308-F386 HydrophobicContact CD1-CE1 4.29Å; I308-F386 HydrophobicContact CD1-CZ 4.34Å; I308-L407 HydrophobicContact CG1-CD1 4.33Å
309N85.4Confident70.2Confident52 Ų5260.7 Ų60.728%0.27838%0.378SS..Hα-helixtrans-62.9-42180-73.8-9.5000112.2I305 L306 S311 A312 S313 S348I305-N309 WeakPolarHBondContact O-CB 3.43Å; I305-N309 PolarHBondContact O-N 3.2Å; L306-N309 PolarHBondContact O-N 2.89Å; N309-S311 VanDerWaalsContact C-N 3.34Å; N309-S311 PolarHBondContact O-N 2.85Å; N309-A312 PolarHBondContact O-N 2.92Å; N309-S313 PolarHBondContact O-N 2.72Å; N309-S348 PolarHBondContact ND2-OG 3.19Å
310S82.7Confident67Low36 Ų3667.7 Ų67.725%0.25241%0.414SS..Hα-helixtrans-60.6-44.9175.666.70000111.6L306 A307 I308 A312 S313 E314L306-S310 WeakPolarHBondContact O-CB 3.41Å; L306-S310 PolarHBondContact O-N 3.47Å; L306-S310 PolarHBondContact O-OG 2.89Å; A307-S310 PolarHBondContact O-N 2.88Å; A307-S310 PolarHBondContact O-OG 2.8Å; I308-S310 PolarHBondContact O-N 2.82Å; S310-A312 VanDerWaalsContact C-N 3.32Å; S310-A312 PolarHBondContact O-N 2.94Å; S310-S313 PolarHBondContact O-N 2.77Å; S310-S313 PolarHBondContact O-OG 3.23Å; S310-E314 PolarHBondContact O-N 2.96Å
311S80.3Confident64.4Low0 Ų073.2 Ų73.20%043%0.43CS..Hα-helixtrans-68.1-28.9180720000113.7A307 I308 N309 F372 L407 R410A307-S311 WeakPolarHBondContact O-CB 3.3Å; A307-S311 PolarHBondContact O-N 2.89Å; A307-S311 PolarHBondContact O-OG 2.98Å; I308-S311 WeakPolarHBondContact CA-OG 3.21Å; I308-S311 PolarHBondContact O-N 2.92Å; I308-S311 PolarHBondContact O-OG 3.35Å; N309-S311 VanDerWaalsContact C-N 3.34Å; N309-S311 PolarHBondContact O-N 2.85Å; S311-F372 WeakPolarHBondContact OG-CE1 3.49Å; S311-F372 VanDerWaalsContact OG-CZ 3.23Å; S311-F372 WeakPolarHBondContact OG-CZ 3.31Å; S311-L407 VanDerWaalsContact CB-O 3.31Å; S311-L407 WeakPolarHBondContact CB-O 3.48Å; S311-L407 PolarHBondContact OG-O 3.37Å; S311-R410 PolarHBondContact O-NE 3.34Å; S311-R410 PolarHBondContact O-NH1 3.09Å; S311-R410 VanDerWaalsContact O-NH1 3.11Å; S311-R410 PolarHBondContact O-NH2 3.29Å
312A80.3Confident61.7Low33 Ų3376 Ų7627%0.27345%0.452SS..Hα-helixtrans-67.7-38.5173.800000111.5I308 N309 S310 G315 L371I308-A312 PolarHBondContact O-N 2.95Å; N309-A312 PolarHBondContact O-N 2.92Å; S310-A312 VanDerWaalsContact C-N 3.32Å; S310-A312 PolarHBondContact O-N 2.94Å; A312-G315 PolarHBondContact O-N 2.89Å; A312-L371 HydrophobicContact CB-CB 4.28Å; A312-L371 HydrophobicContact CB-CD2 4.35Å
313S74.2Confident58.9Low91 Ų9179.4 Ų79.464%0.63647%0.465SS*.Hα-helixtrans-72.7-31.8-177.669.50000114.7N309 S310 G315N309-S313 PolarHBondContact O-N 2.72Å; S310-S313 PolarHBondContact O-N 2.77Å; S310-S313 PolarHBondContact O-OG 3.23Å; S313-G315 PolarHBondContact O-N 3.05Å
314E61.5Low56.3Low126 Ų12683 Ų8359%0.58949%0.487SS*.THydrogen-bonded Turntrans-72.2-15.2178.6-70.4-179.8178.600113.1S310 G316S310-E314 PolarHBondContact O-N 2.96Å; E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 2.88Å
315G45.2Very low53.4Low35 Ų3586 Ų8636%0.36152%0.518SS..THydrogen-bonded Turntrans-84.626.2-177.200000115.7A312 S313 D317A312-G315 PolarHBondContact O-N 2.89Å; S313-G315 PolarHBondContact O-N 3.05Å; G315-D317 PolarHBondContact O-N 2.98Å
316G35.7Very low50.6Low66 Ų6693.7 Ų93.768%0.6855%0.551SS**  trans-66.142.4-178.900000115.8E314 S318E314-G316 VanDerWaalsContact C-N 3.27Å; E314-G316 PolarHBondContact O-N 2.88Å; G316-S318 PolarHBondContact O-N 2.83Å
317D29.7Very low47.8Very low138 Ų13896 Ų9674%0.73856%0.562SS**  trans-75.6104.6151.9-89.8-21.1000106.8G315 T319G315-D317 PolarHBondContact O-N 2.98Å; D317-T319 PolarHBondContact O-N 3.4Å
318S30.6Very low45Very low120 Ų120102.8 Ų102.884%0.83960%0.598SS**  trans-66.271.3173.221.60000109.6G316G316-S318 PolarHBondContact O-N 2.83Å
319T28Very low42.3Very low105 Ų105106.9 Ų106.964%0.64463%0.632SS**  trans-101.28917150.60000108.6D317 F321D317-T319 PolarHBondContact O-N 3.4Å; T319-F321 PolarHBondContact O-N 2.86Å; T319-F321 VanDerWaalsContact O-N 3.16Å
320N25.2Very low39.3Very low154 Ų154110.4 Ų110.482%0.82466%0.655SS**  trans2379.4151.3-65-24.9000116.5T322N320-T322 PolarHBondContact O-N 3.44Å
321F31.1Very low36.6Very low189 Ų189114.9 Ų114.983%0.82968%0.681SS**  trans-78.8109.1149.9-80.2-79.3000107.6T319 N323T319-F321 PolarHBondContact O-N 2.86Å; T319-F321 VanDerWaalsContact O-N 3.16Å; F321-N323 PolarHBondContact O-N 3.44Å
322T27.5Very low34Very low129 Ų129122.1 Ų122.179%0.79172%0.72SS**  trans-51.7125.3174.544.10000110.3N320 D324N320-T322 PolarHBondContact O-N 3.44Å; T322-D324 PolarHBondContact O-N 2.65Å
323N24.1Very low31.5Very low158 Ų158124.5 Ų124.585%0.84575%0.748SS**  trans-50.398.3172-73.5-33.9000111.3F321F321-N323 PolarHBondContact O-N 3.44Å
324D25.9Very low29.2Very low165 Ų165126.7 Ų126.788%0.88275%0.751SS**  trans-107.3114.7143.8-104.1-23000106.2T322 F326T322-D324 PolarHBondContact O-N 2.65Å; D324-F326 PolarHBondContact O-N 2.77Å
325G22.4Very low27.5Very low63 Ų63126.6 Ų126.665%0.64976%0.764SS**  trans-65.7130.3-151.400000115.2
326F25.6Very low26.8Very low200 Ų200128.9 Ų128.988%0.87777%0.771SS**  trans-152.1108.6141.9-99.5-82.6000109.2D324D324-F326 PolarHBondContact O-N 2.77Å
327I24.8Very low26.4Very low150 Ų150132.1 Ų132.177%0.76977%0.773SS**  trans43.6106.3156.9-44.1178.6000118.6A329I327-A329 PolarHBondContact O-N 3.47Å
328N22.3Very low26.6Very low148 Ų148132.5 Ų132.579%0.79177%0.774SS**  trans-56.6108.1155.6-69.3-28000110.8
329A25.7Very low26.7Very low87 Ų87134.9 Ų134.972%0.71978%0.777SS**  trans-96.787.1157.300000108.5I327 T331I327-A329 PolarHBondContact O-N 3.47Å; A329-T331 PolarHBondContact O-N 2.87Å
330T22Very low26.7Very low126 Ų126133.9 Ų133.977%0.77378%0.775SS**  trans-67.5108.3160.847.20000108.2
331T26.6Very low26.8Very low130 Ų130130.5 Ų130.580%0.79876%0.757SS**  trans-128113.4160.558.40000109.7A329A329-T331 PolarHBondContact O-N 2.87Å
332N25.9Very low26.7Very low152 Ų152125.7 Ų125.781%0.81374%0.744SS**  trans-40.3146.7173.6-66-39.7000113.4I334N332-I334 PolarHBondContact O-N 2.91Å; N332-I334 VanDerWaalsContact O-N 3.09Å
333G26.6Very low27.1Very low83 Ų83125.4 Ų125.486%0.85675%0.747SS**  trans-45.6114.2175.800000112.9
334I26.5Very low27.5Very low136 Ų136122.8 Ų122.870%0.69774%0.742SS**  trans-131.9110.7153.2-55.5178.9000104.4N332 T336N332-I334 PolarHBondContact O-N 2.91Å; N332-I334 VanDerWaalsContact O-N 3.09Å; I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 HydrophobicContact CB-CG2 4.25Å; I334-T336 HydrophobicContact CG2-CG2 3.53Å; I334-T336 PolarHBondContact O-N 2.84Å
335S27Very low28Very low124 Ų124122.3 Ų122.387%0.86774%0.736SS**  trans-62.591.8164.352.70000107.7
336T28.7Very low28.8Very low84 Ų84124.1 Ų124.152%0.51573%0.73SS.*  trans-97.3118.8171.850.20000108.8I334 L338I334-T336 VanDerWaalsContact C-N 3.27Å; I334-T336 HydrophobicContact CB-CG2 4.25Å; I334-T336 HydrophobicContact CG2-CG2 3.53Å; I334-T336 PolarHBondContact O-N 2.84Å; T336-L338 PolarHBondContact O-N 3.19Å; T336-L338 VanDerWaalsContact O-N 3.15Å
337D28Very low30.3Very low134 Ų134119.1 Ų119.172%0.71772%0.721SS**  trans-49.1118.8172.2-71.9-48.3000109.9N339 S340D337-N339 PolarHBondContact O-N 2.92Å; D337-S340 PolarHBondContact O-N 3.2Å; D337-S340 PolarHBondContact O-OG 2.85Å
338L33.9Very low32.6Very low145 Ų145113 Ų11376%0.75969%0.691SS**THydrogen-bonded Turntrans-57.8-10-173.2-116.1106.7000114.6T336T336-L338 PolarHBondContact O-N 3.19Å; T336-L338 VanDerWaalsContact O-N 3.15Å
339N32Very low35.7Very low170 Ų170107.5 Ų107.591%0.90966%0.662SS**THydrogen-bonded Turntrans-89.32.2176.6-71.5-20.8000114.3D337D337-N339 PolarHBondContact O-N 2.92Å
340S29Very low38.9Very low85 Ų85103.5 Ų103.559%0.59463%0.628SS**  trans-115.16-176.5660000115.4D337D337-S340 PolarHBondContact O-N 3.2Å; D337-S340 PolarHBondContact O-OG 2.85Å
341L27.9Very low42.4Very low83 Ų8397.5 Ų97.544%0.43559%0.591SS.*SBendtrans-77.9134.8174.5-84.8120.1000111.6S343L341-S343 PolarHBondContact O-N 2.78Å
342P28Very low45.8Very low87 Ų8791.3 Ų91.357%0.56555%0.553SS**  trans-63.2135.5178.924.8-31.3000110.6S344 M345P342-S344 PolarHBondContact O-N 3.27Å; P342-M345 PolarHBondContact O-N 3.28Å
343S36.7Very low49.2Very low123 Ų12384 Ų8486%0.8651%0.514SS*.THydrogen-bonded Turntrans-57.8-5.6-169.948.50000116.4L341L341-S343 PolarHBondContact O-N 2.78Å
344S32.7Very low52.6Low104 Ų10480.1 Ų80.173%0.72747%0.474SS*.THydrogen-bonded Turntrans-87.4-16.5-18059.50000115P342P342-S344 PolarHBondContact O-N 3.27Å
345M34.9Very low56.1Low155 Ų15573.6 Ų73.676%0.76444%0.44SS*.SBendtrans-95.8-4.8-179.6-80.5-90.8178.400114.2P342P342-M345 PolarHBondContact O-N 3.28Å
346N40.3Very low59.5Low100 Ų10069.5 Ų69.554%0.53541%0.406SS..  trans-9916.6-173.1-90.6-8.1000115.5S348N346-S348 PolarHBondContact O-N 2.86Å; N346-S348 VanDerWaalsContact O-N 3.09Å
347S57.5Low62.7Low96 Ų9666.4 Ų66.467%0.67139%0.386SS*.  trans-86.766.6171.3-159.60000110.6L349 N366S347-L349 PolarHBondContact O-N 2.8Å; S347-L349 VanDerWaalsContact O-N 3.07Å; S347-N366 PolarHBondContact O-ND2 3.27Å
348S71.9Confident66.1Low22 Ų2266.8 Ų66.815%0.15438%0.378CS..  trans-63.8108.5167.6-62.80000107.8N309 N346 L350N309-S348 PolarHBondContact ND2-OG 3.19Å; N346-S348 PolarHBondContact O-N 2.86Å; N346-S348 VanDerWaalsContact O-N 3.09Å; S348-L350 PolarHBondContact O-N 3.32Å
349L88.4Confident69.1Low32 Ų3260.6 Ų60.617%0.16835%0.346CS..  trans-81.7101178.3-174.668.6000108.2L262 W298 S347 V365 N366L262-L349 HydrophobicContact CD1-CD2 3.46Å; L262-L349 VanDerWaalsContact CD1-CD2 3.46Å; W298-L349 HydrophobicContact CE3-CD1 3.79Å; W298-L349 HydrophobicContact CE3-CG 4.03Å; W298-L349 HydrophobicContact CH2-CD1 4.43Å; W298-L349 HydrophobicContact CH2-CD2 3.8Å; W298-L349 HydrophobicContact CH2-CG 4.19Å; W298-L349 HydrophobicContact CZ3-CD1 3.64Å; W298-L349 HydrophobicContact CZ3-CD2 3.55Å; W298-L349 HydrophobicContact CZ3-CG 3.41Å; W298-L349 VanDerWaalsContact CZ3-CG 3.41Å; S347-L349 PolarHBondContact O-N 2.8Å; S347-L349 VanDerWaalsContact O-N 3.07Å; L349-V365 HydrophobicContact CB-CB 4.3Å; L349-V365 HydrophobicContact CD2-CB 3.95Å; L349-V365 HydrophobicContact CD2-CG1 3.74Å; L349-V365 HydrophobicContact CG-CB 4.12Å; L349-V365 HydrophobicContact CG-CG1 4.46Å; L349-V365 WeakPolarHBondContact O-CB 3.32Å; L349-V365 PolarHBondContact O-N 3.44Å; L349-N366 PolarHBondContact N-ND2 2.89Å
350L93.4Very high72.3Confident2 Ų252.6 Ų52.61%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-104.9136.6-172.8-64.4171.2000111.8A299 I305 I308 S348 W363 D364 L371A299-L350 HydrophobicContact CB-CB 3.96Å; A299-L350 PolarHBondContact N-O 3.08Å; I305-L350 HydrophobicContact CB-CD1 4.14Å; I305-L350 HydrophobicContact CG1-CD1 4.25Å; I305-L350 HydrophobicContact CG2-CD1 3.85Å; I308-L350 HydrophobicContact CB-CD1 3.82Å; I308-L350 HydrophobicContact CD1-CB 4.47Å; I308-L350 HydrophobicContact CD1-CD1 4.01Å; I308-L350 HydrophobicContact CG2-CD1 3.71Å; I308-L350 HydrophobicContact CG2-CD2 4.14Å; I308-L350 HydrophobicContact CG2-CG 4.47Å; S348-L350 PolarHBondContact O-N 3.32Å; L350-W363 WeakPolarHBondContact CA-O 3.34Å; L350-D364 HydrophobicContact CD2-CB 4.32Å; L350-L371 HydrophobicContact CD2-CD1 3.58Å
351L95.3Very high75.5Confident0 Ų050.5 Ų50.50%028%0.282CS..EExtended strand (participates in β ladder)trans-128.1144.7179.1-171.575.4000110A264 I272 I274 L286 I296 W298 W363 V365A264-L351 HydrophobicContact CB-CD1 4.01Å; A264-L351 HydrophobicContact CB-CD2 3.94Å; I272-L351 HydrophobicContact CG2-CD2 3.63Å; I274-L351 HydrophobicContact CD1-CD2 4.11Å; L286-L351 HydrophobicContact CD1-CD2 4.21Å; I296-L351 HydrophobicContact CB-CD1 4.38Å; I296-L351 HydrophobicContact CG2-CD2 4.48Å; W298-L351 HydrophobicContact CD2-CD1 3.54Å; W298-L351 HydrophobicContact CE3-CB 4.2Å; W298-L351 HydrophobicContact CE3-CD1 3.7Å; W298-L351 HydrophobicContact CG-CD1 3.91Å; W298-L351 HydrophobicContact CH2-CD1 4.47Å; W298-L351 HydrophobicContact CZ2-CD1 4.36Å; W298-L351 HydrophobicContact CZ3-CB 4.22Å; W298-L351 HydrophobicContact CZ3-CD1 4.11Å; L351-W363 HydrophobicContact CB-CB 4.44Å; L351-W363 PolarHBondContact N-O 2.86Å; L351-W363 PolarHBondContact O-N 2.94Å; L351-V365 HydrophobicContact CB-CG2 3.77Å
352V97.2Very high78.8Confident0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-121.7139.5174.2-169.50000109.5I296 A297 I360 R361 F362 L384 F386 L393I296-V352 CarbonylContact C-O 3.55Å; I296-V352 VanDerWaalsContact CA-O 3.25Å; I296-V352 WeakPolarHBondContact CA-O 3.49Å; A297-V352 PolarHBondContact N-O 3.28Å; A297-V352 PolarHBondContact O-N 2.89Å; V352-I360 HydrophobicContact CG1-CG2 3.3Å; V352-R361 CarbonylContact C-O 3.58Å; V352-R361 VanDerWaalsContact CA-O 3.28Å; V352-R361 WeakPolarHBondContact CA-O 3.45Å; V352-R361 WeakPolarHBondContact CG1-O 3.27Å; V352-F362 HydrophobicContact CB-CD1 4.46Å; V352-F362 HydrophobicContact CB-CE1 4.38Å; V352-F362 HydrophobicContact CG1-CD1 4.3Å; V352-F362 HydrophobicContact CG1-CD2 4.22Å; V352-F362 HydrophobicContact CG1-CE1 4.04Å; V352-F362 HydrophobicContact CG1-CE2 3.92Å; V352-F362 HydrophobicContact CG1-CG 4.38Å; V352-F362 HydrophobicContact CG1-CZ 3.84Å; V352-F362 HydrophobicContact CG2-CD1 3.39Å; V352-F362 HydrophobicContact CG2-CE1 3.35Å; V352-F362 HydrophobicContact CG2-CG 4.09Å; V352-F362 HydrophobicContact CG2-CZ 4.03Å; V352-L384 HydrophobicContact CB-CD1 4.48Å; V352-L384 HydrophobicContact CG1-CD1 3.86Å; V352-F386 HydrophobicContact CB-CZ 4.31Å; V352-F386 HydrophobicContact CG2-CE1 4.36Å; V352-F386 HydrophobicContact CG2-CE2 4.03Å; V352-F386 HydrophobicContact CG2-CZ 3.42Å; V352-F386 VanDerWaalsContact CG2-CZ 3.42Å; V352-L393 HydrophobicContact CG1-CD2 3.88Å
353S98.3Very high82Confident0 Ų042.7 Ų42.70%024%0.236CC..EExtended strand (participates in β ladder)trans-130.9139.1179.860.10000112.7I272 H289 C295 I360 R361 W363 L384I272-S353 WeakPolarHBondContact CD1-OG 3.48Å; H289-S353 PolarHBondContact NE2-OG 2.8Å; C295-S353 WeakPolarHBondContact O-CA 3.26Å; S353-I360 WeakPolarHBondContact O-CG2 3.48Å; S353-R361 PolarHBondContact N-O 2.91Å; S353-R361 PolarHBondContact O-N 2.79Å; S353-W363 PolarHBondContact OG-NE1 3.01Å; S353-L384 VanDerWaalsContact C-CD1 3.47Å
354G98.2Very high84.7Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-109.5136.1174.600000109.3E294 C295 L384E294-G354 PolarHBondContact N-O 2.69Å; C295-G354 PolarHBondContact N-O 3.32Å; C295-G354 PolarHBondContact O-N 3.01Å; G354-L384 VanDerWaalsContact N-CD1 3.27Å
355S98.2Very high87.5Confident0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-132.7162.1-174.9172.20000112.5H289 H291 V292 D357 R358 T359 V381H289-S355 WeakPolarHBondContact CE1-CB 3.13Å; H289-S355 WeakPolarHBondContact ND1-CB 3.28Å; H291-S355 PolarHBondContact O-OG 3.33Å; V292-S355 WeakPolarHBondContact O-CA 3.48Å; V292-S355 PolarHBondContact O-OG 3.37Å; S355-D357 WeakPolarHBondContact CB-OD1 3.47Å; S355-D357 PolarHBondContact O-N 3.31Å; S355-D357 VanDerWaalsContact OG-CG 3.24Å; S355-D357 PolarHBondContact OG-N 2.97Å; S355-D357 VanDerWaalsContact OG-N 3.14Å; S355-D357 PolarHBondContact OG-OD1 3.39Å; S355-D357 PolarHBondContact OG-OD2 3.42Å; S355-R358 PolarHBondContact O-N 2.85Å; S355-R358 VanDerWaalsContact O-N 3.15Å; S355-T359 PolarHBondContact N-O 3.04Å; S355-V381 PolarHBondContact O-N 2.89Å; S355-V381 VanDerWaalsContact O-N 3.14Å
356R98.3Very high90.1Very high37 Ų3730.2 Ų30.214%0.1415%0.154CC..THydrogen-bonded Turntrans-69.9-10.5170.5-63.5-164.7-168.9-160.4-4.4113.5H291 V292 E294 R358 W380H291-R356 HydrophobicContact CB-CB 4.11Å; H291-R356 WeakPolarHBondContact ND1-CB 3.15Å; V292-R356 HydrophobicContact CB-CB 4.41Å; V292-R356 HydrophobicContact CB-CG 4.05Å; V292-R356 HydrophobicContact CG1-CG 4.47Å; V292-R356 PolarHBondContact O-N 2.83Å; E294-R356 IonicContact OE1-CZ 3.49Å; E294-R356 IonicContact OE1-NE 3.98Å; E294-R356 IonicContact OE1-NH2 3.44Å; E294-R356 PolarHBondContact OE1-NH2 3.2Å; E294-R356 IonicContact OE2-CZ 2.71Å; E294-R356 VanDerWaalsContact OE2-CZ 3.3Å; E294-R356 IonicContact OE2-NE 3.04Å; E294-R356 PolarHBondContact OE2-NE 2.74Å; E294-R356 IonicContact OE2-NH2 2.71Å; E294-R356 PolarHBondContact OE2-NH2 2.65Å; R356-R358 PolarHBondContact O-N 3.23Å; R356-W380 VanDerWaalsContact CA-CD1 3.45Å; R356-W380 HydrophobicContact CB-CB 4.29Å; R356-W380 VanDerWaalsContact CB-CD1 3.5Å; R356-W380 HydrophobicContact CB-CD2 4.03Å; R356-W380 HydrophobicContact CB-CG 3.68Å; R356-W380 VanDerWaalsContact CD-CD2 3.48Å; R356-W380 HydrophobicContact CG-CB 3.95Å; R356-W380 HydrophobicContact CG-CD2 3.61Å; R356-W380 HydrophobicContact CG-CE3 4.05Å; R356-W380 HydrophobicContact CG-CG 3.54Å
357D97.9Very high92.3Very high20 Ų2031 Ų3111%0.10716%0.158CC..THydrogen-bonded Turntrans-72.40.8166.967.313.7000113H289 E290 H291 S355 T359H289-D357 VanDerWaalsContact CA-OD2 3.3Å; H289-D357 WeakPolarHBondContact CA-OD2 3.37Å; H289-D357 WeakPolarHBondContact CB-OD2 3.37Å; H289-D357 IonicContact CE1-OD1 3.48Å; H289-D357 IonicContact CE1-OD2 3.53Å; H289-D357 IonicContact CG-OD2 3.35Å; H289-D357 IonicContact ND1-OD1 3.94Å; H289-D357 PolarHBondContact ND1-OD1 3.47Å; H289-D357 IonicContact ND1-OD2 3.63Å; H289-D357 PolarHBondContact ND1-OD2 3.36Å; E290-D357 HydrophobicContact CB-CB 4.27Å; E290-D357 PolarHBondContact N-OD2 3.15Å; E290-D357 VanDerWaalsContact N-OD2 3.07Å; H291-D357 HydrophobicContact CB-CB 3.98Å; S355-D357 WeakPolarHBondContact CB-OD1 3.47Å; S355-D357 PolarHBondContact O-N 3.31Å; S355-D357 VanDerWaalsContact OG-CG 3.24Å; S355-D357 PolarHBondContact OG-N 2.97Å; S355-D357 VanDerWaalsContact OG-N 3.14Å; S355-D357 PolarHBondContact OG-OD1 3.39Å; S355-D357 PolarHBondContact OG-OD2 3.42Å; D357-T359 VanDerWaalsContact C-N 3.3Å; D357-T359 WeakPolarHBondContact OD1-CA 3.3Å; D357-T359 VanDerWaalsContact OD1-CB 3.26Å; D357-T359 WeakPolarHBondContact OD1-CB 3.45Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 3.37Å; D357-T359 PolarHBondContact OD1-OG1 2.93Å; D357-T359 PolarHBondContact OD2-OG1 3.37Å
358R98Very high93.9Very high141 Ų14127.7 Ų27.753%0.53214%0.139SC..SBendtrans76.612.8179.3-47.6164.9-75-165.8-2.4113.8S355 R356 H377 D378S355-R358 PolarHBondContact O-N 2.85Å; S355-R358 VanDerWaalsContact O-N 3.15Å; R356-R358 PolarHBondContact O-N 3.23Å; R358-H377 WeakPolarHBondContact CB-O 3.25Å; R358-D378 WeakPolarHBondContact CD-O 3.26Å
359T97.8Very high94.8Very high16 Ų1630.7 Ų30.710%0.09815%0.152CC..EExtended strand (participates in β ladder)trans-108.6144.4-173.774.10000114.8H289 S355 D357 V373 I375H289-T359 PolarHBondContact CE1-OG1 3.03Å; H289-T359 VanDerWaalsContact CE1-OG1 3.28Å; H289-T359 PolarHBondContact ND1-OG1 2.77Å; S355-T359 PolarHBondContact N-O 3.04Å; D357-T359 VanDerWaalsContact C-N 3.3Å; D357-T359 WeakPolarHBondContact OD1-CA 3.3Å; D357-T359 VanDerWaalsContact OD1-CB 3.26Å; D357-T359 WeakPolarHBondContact OD1-CB 3.45Å; D357-T359 WeakPolarHBondContact OD1-CG2 3.43Å; D357-T359 PolarHBondContact OD1-N 3.37Å; D357-T359 PolarHBondContact OD1-OG1 2.93Å; D357-T359 PolarHBondContact OD2-OG1 3.37Å; T359-V373 HydrophobicContact CG2-CG1 4.08Å; T359-I375 HydrophobicContact CG2-CG1 4.41Å
360I98Very high95Very high1 Ų130.8 Ų30.81%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-8179.4165.8-12.3145.4000118.3V352 S353 F362 V373 L374 V381 L384 L393 W405V352-I360 HydrophobicContact CG1-CG2 3.3Å; S353-I360 WeakPolarHBondContact O-CG2 3.48Å; I360-F362 HydrophobicContact CG2-CE2 4.07Å; I360-V373 CarbonylContact O-C 3.53Å; I360-V373 VanDerWaalsContact O-CA 3.3Å; I360-V373 WeakPolarHBondContact O-CA 3.5Å; I360-L374 WeakPolarHBondContact CA-O 3.49Å; I360-L374 HydrophobicContact CB-CB 4.18Å; I360-L374 PolarHBondContact N-O 2.78Å; I360-L374 PolarHBondContact O-N 3.34Å; I360-V381 HydrophobicContact CD1-CG1 4.18Å; I360-V381 HydrophobicContact CD1-CG2 4.4Å; I360-V381 HydrophobicContact CG1-CG1 4.04Å; I360-V381 HydrophobicContact CG1-CG2 3.95Å; I360-L384 HydrophobicContact CD1-CD2 3.62Å; I360-L384 HydrophobicContact CG1-CD2 4.05Å; I360-L384 HydrophobicContact CG2-CD1 3.83Å; I360-L384 HydrophobicContact CG2-CD2 4.06Å; I360-L393 HydrophobicContact CG2-CD2 4.17Å; I360-W405 HydrophobicContact CD1-CZ2 4.13Å
361R97.4Very high95Very high42 Ų4232.7 Ų32.716%0.15817%0.165CC..EExtended strand (participates in β ladder)trans-96.2134.8-175.2-67.1-172.5179.6-102.82.2113.3G288 H289 V352 S353 W363 V373G288-R361 PolarHBondContact O-NE 2.88Å; G288-R361 PolarHBondContact O-NH2 2.89Å; H289-R361 VanDerWaalsContact CE1-CD 3.45Å; H289-R361 WeakPolarHBondContact CE1-CD 3.49Å; H289-R361 VanDerWaalsContact CE1-CG 3.43Å; H289-R361 WeakPolarHBondContact CE1-CG 3.44Å; V352-R361 CarbonylContact C-O 3.58Å; V352-R361 VanDerWaalsContact CA-O 3.28Å; V352-R361 WeakPolarHBondContact CA-O 3.45Å; V352-R361 WeakPolarHBondContact CG1-O 3.27Å; S353-R361 PolarHBondContact N-O 2.91Å; S353-R361 PolarHBondContact O-N 2.79Å; R361-W363 HydrophobicContact CB-CZ2 3.67Å; R361-W363 VanDerWaalsContact CD-CZ2 3.46Å; R361-W363 HydrophobicContact CG-CZ2 4.2Å; R361-V373 HydrophobicContact CG-CG1 4.07Å; R361-V373 HydrophobicContact CG-CG2 4.04Å
362F96.4Very high94.9Very high1 Ų133.4 Ų33.40%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-108.2133.5175.4-71.1-106.4000109.1I308 V352 I360 C370 L371 F372 L374 L393 L407I308-F362 HydrophobicContact CD1-CD1 3.76Å; I308-F362 HydrophobicContact CD1-CE1 3.85Å; I308-F362 HydrophobicContact CG1-CD1 3.75Å; I308-F362 HydrophobicContact CG1-CE1 3.82Å; I308-F362 HydrophobicContact CG2-CD1 4.09Å; V352-F362 HydrophobicContact CB-CD1 4.46Å; V352-F362 HydrophobicContact CB-CE1 4.38Å; V352-F362 HydrophobicContact CG1-CD1 4.3Å; V352-F362 HydrophobicContact CG1-CD2 4.22Å; V352-F362 HydrophobicContact CG1-CE1 4.04Å; V352-F362 HydrophobicContact CG1-CE2 3.92Å; V352-F362 HydrophobicContact CG1-CG 4.38Å; V352-F362 HydrophobicContact CG1-CZ 3.84Å; V352-F362 HydrophobicContact CG2-CD1 3.39Å; V352-F362 HydrophobicContact CG2-CE1 3.35Å; V352-F362 HydrophobicContact CG2-CG 4.09Å; V352-F362 HydrophobicContact CG2-CZ 4.03Å; I360-F362 HydrophobicContact CG2-CE2 4.07Å; F362-C370 CarbonylContact O-C 3.6Å; F362-C370 WeakPolarHBondContact O-CA 3.31Å; F362-L371 HydrophobicContact CB-CB 4.44Å; F362-L371 PolarHBondContact O-N 3.17Å; F362-F372 HydrophobicContact CB-CD1 4.32Å; F362-F372 HydrophobicContact CB-CD2 4.39Å; F362-F372 HydrophobicContact CB-CE1 4.04Å; F362-F372 HydrophobicContact CB-CE2 4.13Å; F362-F372 HydrophobicContact CB-CG 4.48Å; F362-F372 HydrophobicContact CB-CZ 3.95Å; F362-F372 HydrophobicContact CD1-CE1 4.34Å; F362-F372 AromaticContact CD1-CE2 3.96Å; F362-F372 HydrophobicContact CD1-CE2 3.96Å; F362-F372 AromaticContact CD1-CZ 3.6Å; F362-F372 HydrophobicContact CD1-CZ 3.6Å; F362-F372 AromaticContact CD2-CD2 3.72Å; F362-F372 HydrophobicContact CD2-CD2 3.72Å; F362-F372 AromaticContact CD2-CE2 3.24Å; F362-F372 HydrophobicContact CD2-CE2 3.24Å; F362-F372 AromaticContact CD2-CZ 3.76Å; F362-F372 HydrophobicContact CD2-CZ 3.76Å; F362-F372 HydrophobicContact CE1-CE2 4.19Å; F362-F372 HydrophobicContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE2-CD2 4.28Å; F362-F372 AromaticContact CE2-CE2 3.54Å; F362-F372 HydrophobicContact CE2-CE2 3.54Å; F362-F372 HydrophobicContact CE2-CZ 4.18Å; F362-F372 HydrophobicContact CG-CD2 4.12Å; F362-F372 HydrophobicContact CG-CE1 4.08Å; F362-F372 AromaticContact CG-CE2 3.49Å; F362-F372 HydrophobicContact CG-CE2 3.49Å; F362-F372 VanDerWaalsContact CG-CE2 3.49Å; F362-F372 AromaticContact CG-CZ 3.47Å; F362-F372 HydrophobicContact CG-CZ 3.47Å; F362-F372 VanDerWaalsContact CG-CZ 3.47Å; F362-F372 AromaticContact CZ-CE2 3.99Å; F362-F372 HydrophobicContact CZ-CE2 3.99Å; F362-F372 HydrophobicContact CZ-CZ 4.27Å; F362-F372 PolarHBondContact N-O 3.47Å; F362-F372 VanDerWaalsContact N-O 3.08Å; F362-L374 HydrophobicContact CD2-CG 4.45Å; F362-L374 HydrophobicContact CE2-CD1 3.5Å; F362-L374 HydrophobicContact CE2-CG 3.7Å; F362-L374 HydrophobicContact CZ-CD1 3.87Å; F362-L393 HydrophobicContact CE1-CD2 4.42Å; F362-L393 HydrophobicContact CE2-CD2 4.33Å; F362-L393 HydrophobicContact CZ-CD2 3.63Å; F362-L407 HydrophobicContact CE1-CD2 3.49Å; F362-L407 VanDerWaalsContact CE1-CD2 3.49Å; F362-L407 HydrophobicContact CZ-CD2 3.39Å
363W95.5Very high94.8Very high4 Ų435.8 Ų35.82%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-128137.8-172.7-50.689.1000110.7I272 L286 R287 L350 L351 S353 R361 I369 C370I272-W363 HydrophobicContact CD1-CZ2 4.22Å; L286-W363 HydrophobicContact CB-CD2 4.15Å; L286-W363 HydrophobicContact CB-CE3 3.83Å; L286-W363 HydrophobicContact CB-CH2 4.4Å; L286-W363 HydrophobicContact CB-CZ3 3.96Å; L286-W363 HydrophobicContact CD1-CB 3.79Å; L286-W363 HydrophobicContact CD1-CD2 3.94Å; L286-W363 HydrophobicContact CD1-CE3 4.22Å; L286-W363 HydrophobicContact CD1-CG 3.75Å; L286-W363 HydrophobicContact CD2-CE3 4.07Å; L286-W363 HydrophobicContact CG-CD2 4.46Å; L286-W363 HydrophobicContact CG-CE3 4.26Å; R287-W363 WeakPolarHBondContact O-CH2 3.14Å; R287-W363 WeakPolarHBondContact O-CZ3 3.26Å; L350-W363 WeakPolarHBondContact CA-O 3.34Å; L351-W363 HydrophobicContact CB-CB 4.44Å; L351-W363 PolarHBondContact N-O 2.86Å; L351-W363 PolarHBondContact O-N 2.94Å; S353-W363 PolarHBondContact OG-NE1 3.01Å; R361-W363 HydrophobicContact CB-CZ2 3.67Å; R361-W363 VanDerWaalsContact CD-CZ2 3.46Å; R361-W363 HydrophobicContact CG-CZ2 4.2Å; W363-I369 VanDerWaalsContact CA-O 3.32Å; W363-I369 WeakPolarHBondContact CA-O 3.28Å; W363-C370 HydrophobicContact CD2-CB 4.42Å; W363-C370 HydrophobicContact CE3-CB 3.76Å; W363-C370 HydrophobicContact CH2-CB 4.09Å; W363-C370 HydrophobicContact CZ3-CB 3.57Å
364D93.1Very high94.6Very high13 Ų1336 Ų367%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-89.4114.6158.7-171-42000107.9L350 N366 I367 G368 I369 L371L350-D364 HydrophobicContact CD2-CB 4.32Å; D364-N366 WeakPolarHBondContact OD1-CA 3.43Å; D364-N366 VanDerWaalsContact OD1-CB 3.31Å; D364-N366 WeakPolarHBondContact OD1-CB 3.42Å; D364-N366 PolarHBondContact OD1-N 3.13Å; D364-I367 HydrophobicContact CB-CB 4.5Å; D364-I367 PolarHBondContact OD1-N 2.81Å; D364-G368 VanDerWaalsContact O-CA 3.28Å; D364-G368 WeakPolarHBondContact O-CA 3.35Å; D364-G368 PolarHBondContact O-N 3.29Å; D364-I369 HydrophobicContact CB-CG1 4.39Å; D364-I369 PolarHBondContact N-O 3.19Å; D364-I369 PolarHBondContact O-N 2.93Å; D364-L371 HydrophobicContact CB-CD1 4.35Å; D364-L371 HydrophobicContact CB-CD2 4.11Å; D364-L371 HydrophobicContact CB-CG 4.28Å
365V92.3Very high94.5Very high5 Ų542.1 Ų42.13%0.0322%0.215CC..THydrogen-bonded Turntrans-76.1-27.8-177.8173.10000112.2I274 L286 W298 L349 L351 I367I274-V365 HydrophobicContact CB-CG1 4.33Å; I274-V365 HydrophobicContact CD1-CG1 4.22Å; I274-V365 HydrophobicContact CD1-CG2 4.26Å; I274-V365 HydrophobicContact CG1-CG1 3.74Å; I274-V365 HydrophobicContact CG1-CG2 4.48Å; I274-V365 HydrophobicContact CG2-CG1 3.99Å; L286-V365 HydrophobicContact CD1-CG2 4.44Å; W298-V365 HydrophobicContact CH2-CG1 4.45Å; W298-V365 HydrophobicContact CH2-CG2 4.22Å; W298-V365 HydrophobicContact CZ3-CB 4.39Å; W298-V365 HydrophobicContact CZ3-CG2 3.79Å; L349-V365 HydrophobicContact CB-CB 4.3Å; L349-V365 HydrophobicContact CD2-CB 3.95Å; L349-V365 HydrophobicContact CD2-CG1 3.74Å; L349-V365 HydrophobicContact CG-CB 4.12Å; L349-V365 HydrophobicContact CG-CG1 4.46Å; L349-V365 WeakPolarHBondContact O-CB 3.32Å; L349-V365 PolarHBondContact O-N 3.44Å; L351-V365 HydrophobicContact CB-CG2 3.77Å; V365-I367 VanDerWaalsContact C-N 3.33Å
366N89.2Confident94.2Very high102 Ų10243.1 Ų43.155%0.54523%0.225SC..THydrogen-bonded Turntrans-67.7-39.7179.1-63.4-33.8000110.6S347 L349 D364S347-N366 PolarHBondContact O-ND2 3.27Å; L349-N366 PolarHBondContact N-ND2 2.89Å; D364-N366 WeakPolarHBondContact OD1-CA 3.43Å; D364-N366 VanDerWaalsContact OD1-CB 3.31Å; D364-N366 WeakPolarHBondContact OD1-CB 3.42Å; D364-N366 PolarHBondContact OD1-N 3.13Å
367I87.1Confident94.1Very high117 Ų11741.7 Ų41.760%0.622%0.22SC*.THydrogen-bonded Turntrans-93.6-27.8-178.5-50175.3000111.3D364 V365 I369D364-I367 HydrophobicContact CB-CB 4.5Å; D364-I367 PolarHBondContact OD1-N 2.81Å; V365-I367 VanDerWaalsContact C-N 3.33Å; I367-I369 HydrophobicContact CB-CG1 4.18Å; I367-I369 HydrophobicContact CG2-CD1 4.19Å; I367-I369 HydrophobicContact CG2-CG1 4.09Å; I367-I369 HydrophobicContact CG2-CG2 3.98Å
368G89.6Confident94Very high27 Ų2746.6 Ų46.628%0.27825%0.246SC..THydrogen-bonded Turntrans83.922.4-179.700000114.5D364D364-G368 VanDerWaalsContact O-CA 3.28Å; D364-G368 WeakPolarHBondContact O-CA 3.35Å; D364-G368 PolarHBondContact O-N 3.29Å
369I91.1Very high94Very high84 Ų8442 Ų4243%0.43123%0.233SC..EExtended strand (participates in β ladder)trans-112.2152.4-175.163.7170.1000112.6W363 D364 I367 L371W363-I369 VanDerWaalsContact CA-O 3.32Å; W363-I369 WeakPolarHBondContact CA-O 3.28Å; D364-I369 HydrophobicContact CB-CG1 4.39Å; D364-I369 PolarHBondContact N-O 3.19Å; D364-I369 PolarHBondContact O-N 2.93Å; I367-I369 HydrophobicContact CB-CG1 4.18Å; I367-I369 HydrophobicContact CG2-CD1 4.19Å; I367-I369 HydrophobicContact CG2-CG1 4.09Å; I367-I369 HydrophobicContact CG2-CG2 3.98Å; I369-L371 HydrophobicContact CD1-CD2 4.26Å; I369-L371 HydrophobicContact CG1-CD2 4.34Å
370C93.1Very high94Very high34 Ų3445 Ų4523%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-79.7120.1168.1-172.60000108.8F362 W363F362-C370 CarbonylContact O-C 3.6Å; F362-C370 WeakPolarHBondContact O-CA 3.31Å; W363-C370 HydrophobicContact CD2-CB 4.42Å; W363-C370 HydrophobicContact CE3-CB 3.76Å; W363-C370 HydrophobicContact CH2-CB 4.09Å; W363-C370 HydrophobicContact CZ3-CB 3.57Å
371L92.6Very high94Very high43 Ų4344.9 Ų44.923%0.22524%0.242CC..EExtended strand (participates in β ladder)trans-76.7-50.5179.7-63.6176.9000111.7I308 A312 L350 F362 D364 I369I308-L371 HydrophobicContact CG2-CD1 3.75Å; A312-L371 HydrophobicContact CB-CB 4.28Å; A312-L371 HydrophobicContact CB-CD2 4.35Å; L350-L371 HydrophobicContact CD2-CD1 3.58Å; F362-L371 HydrophobicContact CB-CB 4.44Å; F362-L371 PolarHBondContact O-N 3.17Å; D364-L371 HydrophobicContact CB-CD1 4.35Å; D364-L371 HydrophobicContact CB-CD2 4.11Å; D364-L371 HydrophobicContact CB-CG 4.28Å; I369-L371 HydrophobicContact CD1-CD2 4.26Å; I369-L371 HydrophobicContact CG1-CD2 4.34Å
372F93.1Very high94.1Very high15 Ų1545.4 Ų45.47%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-161.6169.7176.457.3-90.2000110.6I308 S311 F362 L374 R410I308-F372 HydrophobicContact CG1-CZ 4.46Å; I308-F372 HydrophobicContact CG2-CE1 3.81Å; I308-F372 HydrophobicContact CG2-CZ 4.15Å; S311-F372 WeakPolarHBondContact OG-CE1 3.49Å; S311-F372 VanDerWaalsContact OG-CZ 3.23Å; S311-F372 WeakPolarHBondContact OG-CZ 3.31Å; F362-F372 HydrophobicContact CB-CD1 4.32Å; F362-F372 HydrophobicContact CB-CD2 4.39Å; F362-F372 HydrophobicContact CB-CE1 4.04Å; F362-F372 HydrophobicContact CB-CE2 4.13Å; F362-F372 HydrophobicContact CB-CG 4.48Å; F362-F372 HydrophobicContact CB-CZ 3.95Å; F362-F372 HydrophobicContact CD1-CE1 4.34Å; F362-F372 AromaticContact CD1-CE2 3.96Å; F362-F372 HydrophobicContact CD1-CE2 3.96Å; F362-F372 AromaticContact CD1-CZ 3.6Å; F362-F372 HydrophobicContact CD1-CZ 3.6Å; F362-F372 AromaticContact CD2-CD2 3.72Å; F362-F372 HydrophobicContact CD2-CD2 3.72Å; F362-F372 AromaticContact CD2-CE2 3.24Å; F362-F372 HydrophobicContact CD2-CE2 3.24Å; F362-F372 AromaticContact CD2-CZ 3.76Å; F362-F372 HydrophobicContact CD2-CZ 3.76Å; F362-F372 HydrophobicContact CE1-CE2 4.19Å; F362-F372 HydrophobicContact CE1-CZ 4Å; F362-F372 HydrophobicContact CE2-CD2 4.28Å; F362-F372 AromaticContact CE2-CE2 3.54Å; F362-F372 HydrophobicContact CE2-CE2 3.54Å; F362-F372 HydrophobicContact CE2-CZ 4.18Å; F362-F372 HydrophobicContact CG-CD2 4.12Å; F362-F372 HydrophobicContact CG-CE1 4.08Å; F362-F372 AromaticContact CG-CE2 3.49Å; F362-F372 HydrophobicContact CG-CE2 3.49Å; F362-F372 VanDerWaalsContact CG-CE2 3.49Å; F362-F372 AromaticContact CG-CZ 3.47Å; F362-F372 HydrophobicContact CG-CZ 3.47Å; F362-F372 VanDerWaalsContact CG-CZ 3.47Å; F362-F372 AromaticContact CZ-CE2 3.99Å; F362-F372 HydrophobicContact CZ-CE2 3.99Å; F362-F372 HydrophobicContact CZ-CZ 4.27Å; F362-F372 PolarHBondContact N-O 3.47Å; F362-F372 VanDerWaalsContact N-O 3.08Å; F372-L374 HydrophobicContact CD2-CD2 4.24Å; F372-L374 HydrophobicContact CD2-CG 4.48Å; F372-L374 HydrophobicContact CE2-CD2 4.2Å; F372-L374 HydrophobicContact CE2-CG 4.33Å; F372-R410 HydrophobicContact CD2-CG 4.11Å; F372-R410 HydrophobicContact CE2-CG 4.11Å
373V95.2Very high94.1Very high50 Ų5046.3 Ų46.330%0.30325%0.248SC..EExtended strand (participates in β ladder)trans-125.8129.9-177.6-169.90000109.4T359 I360 R361 I375T359-V373 HydrophobicContact CG2-CG1 4.08Å; I360-V373 CarbonylContact O-C 3.53Å; I360-V373 VanDerWaalsContact O-CA 3.3Å; I360-V373 WeakPolarHBondContact O-CA 3.5Å; R361-V373 HydrophobicContact CG-CG1 4.07Å; R361-V373 HydrophobicContact CG-CG2 4.04Å; V373-I375 HydrophobicContact CG1-CG1 3.99Å
374L95.4Very high94.2Very high3 Ų346.3 Ų46.32%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-92.8126.6167-57.6179.9000109.1I360 F362 F372 W405 R410I360-L374 WeakPolarHBondContact CA-O 3.49Å; I360-L374 HydrophobicContact CB-CB 4.18Å; I360-L374 PolarHBondContact N-O 2.78Å; I360-L374 PolarHBondContact O-N 3.34Å; F362-L374 HydrophobicContact CD2-CG 4.45Å; F362-L374 HydrophobicContact CE2-CD1 3.5Å; F362-L374 HydrophobicContact CE2-CG 3.7Å; F362-L374 HydrophobicContact CZ-CD1 3.87Å; F372-L374 HydrophobicContact CD2-CD2 4.24Å; F372-L374 HydrophobicContact CD2-CG 4.48Å; F372-L374 HydrophobicContact CE2-CD2 4.2Å; F372-L374 HydrophobicContact CE2-CG 4.33Å; L374-W405 HydrophobicContact CB-CD2 4.4Å; L374-W405 HydrophobicContact CB-CE3 3.93Å; L374-W405 HydrophobicContact CB-CH2 4.36Å; L374-W405 HydrophobicContact CB-CZ3 3.9Å; L374-W405 HydrophobicContact CD1-CB 3.82Å; L374-W405 HydrophobicContact CD1-CD2 3.8Å; L374-W405 HydrophobicContact CD1-CE3 3.77Å; L374-W405 HydrophobicContact CD1-CG 3.83Å; L374-W405 HydrophobicContact CD2-CE3 4.38Å; L374-W405 HydrophobicContact CG-CE3 4.25Å; L374-R410 HydrophobicContact CD2-CB 4Å
375I94.6Very high94.3Very high130 Ų13046.5 Ų46.567%0.66725%0.249SC*.EExtended strand (participates in β ladder)trans-120.1136.4178.4-56.9175.3000107.4T359 V373T359-I375 HydrophobicContact CG2-CG1 4.41Å; V373-I375 HydrophobicContact CG1-CG1 3.99Å
376G92.3Very high94.4Very high20 Ų2047.7 Ų47.721%0.20625%0.254CS..  trans169.6-27.1171.800000114.2R403G376-R403 PolarHBondContact O-NH1 3.01Å; G376-R403 PolarHBondContact O-NH2 3.18Å
377H96.5Very high94.5Very high7 Ų743.2 Ų43.23%0.03223%0.23CC..  trans-64142.1171.6-82.5-62000110.9R358 V381 S395 S397 D399 T401 R403 W405R358-H377 WeakPolarHBondContact CB-O 3.25Å; H377-V381 HydrophobicContact CB-CG2 4.29Å; H377-S395 WeakPolarHBondContact NE2-CB 3.49Å; H377-S395 PolarHBondContact NE2-OG 2.94Å; H377-S397 WeakPolarHBondContact CE1-CB 3.34Å; H377-S397 WeakPolarHBondContact ND1-CB 3.28Å; H377-S397 PolarHBondContact ND1-OG 3.16Å; H377-D399 WeakPolarHBondContact CA-OD2 3.13Å; H377-D399 WeakPolarHBondContact CB-OD2 3.43Å; H377-D399 IonicContact CE1-OD1 3.88Å; H377-D399 IonicContact CE1-OD2 3.44Å; H377-D399 IonicContact CG-OD2 3.4Å; H377-D399 IonicContact ND1-OD1 2.75Å; H377-D399 PolarHBondContact ND1-OD1 2.67Å; H377-D399 IonicContact ND1-OD2 3.92Å; H377-D399 PolarHBondContact ND1-OD2 3.38Å; H377-T401 PolarHBondContact CE1-OG1 3.43Å; H377-R403 VanDerWaalsContact CE1-CD 3.49Å; H377-R403 WeakPolarHBondContact CE1-CD 3.45Å; H377-R403 VanDerWaalsContact CE1-CG 3.48Å; H377-R403 WeakPolarHBondContact CE1-CG 3.27Å; H377-W405 AromaticContact CD2-CZ2 3.96Å
378D96.1Very high94.5Very high123 Ų12339.4 Ų39.466%0.65821%0.213SC*.SBendtrans-91.3-7.3-179.4-64.3-50.4000112.2R358 D399R358-D378 WeakPolarHBondContact CD-O 3.26Å; D378-D399 HydrophobicContact CB-CB 4.13Å; D378-D399 PolarHBondContact N-OD2 3.28Å
379N97.6Very high94.2Very high46 Ų4642.4 Ų42.425%0.24622%0.219CC..SBendtrans-147.9-173.3-179.2-150.3-13.7000111.3V381 S397 D398 D399N379-V381 PolarHBondContact O-N 3.19Å; N379-S397 PolarHBondContact O-OG 3.43Å; N379-D398 HydrophobicContact CB-CB 3.9Å; N379-D398 WeakPolarHBondContact ND2-CB 3.38Å; N379-D398 PolarHBondContact ND2-O 2.79Å; N379-D399 HydrophobicContact CB-CB 3.95Å
380W98.1Very high93.6Very high77 Ų7738.4 Ų38.429%0.29220%0.199SC..  trans-58130.2-172.7-58-9.3000113.2R356 R382 S397 D398R356-W380 VanDerWaalsContact CA-CD1 3.45Å; R356-W380 HydrophobicContact CB-CB 4.29Å; R356-W380 VanDerWaalsContact CB-CD1 3.5Å; R356-W380 HydrophobicContact CB-CD2 4.03Å; R356-W380 HydrophobicContact CB-CG 3.68Å; R356-W380 VanDerWaalsContact CD-CD2 3.48Å; R356-W380 HydrophobicContact CG-CB 3.95Å; R356-W380 HydrophobicContact CG-CD2 3.61Å; R356-W380 HydrophobicContact CG-CE3 4.05Å; R356-W380 HydrophobicContact CG-CG 3.54Å; W380-R382 PolarHBondContact O-N 2.84Å; W380-S397 WeakPolarHBondContact O-CA 3.27Å; W380-S397 WeakPolarHBondContact O-CB 3.17Å; W380-S397 PolarHBondContact O-OG 2.77Å; W380-S397 VanDerWaalsContact O-OG 3.04Å; W380-D398 HydrophobicContact CB-CB 4.3Å; W380-D398 PolarHBondContact O-N 3.21Å
381V98.3Very high93.2Very high0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-78.9117.7171.9-174.90000108.7E294 S355 I360 H377 N379 L384E294-V381 WeakPolarHBondContact CB-O 3.37Å; S355-V381 PolarHBondContact O-N 2.89Å; S355-V381 VanDerWaalsContact O-N 3.14Å; I360-V381 HydrophobicContact CD1-CG1 4.18Å; I360-V381 HydrophobicContact CD1-CG2 4.4Å; I360-V381 HydrophobicContact CG1-CG1 4.04Å; I360-V381 HydrophobicContact CG1-CG2 3.95Å; H377-V381 HydrophobicContact CB-CG2 4.29Å; N379-V381 PolarHBondContact O-N 3.19Å; V381-L384 HydrophobicContact CG1-CD2 3.96Å; V381-L384 HydrophobicContact CG1-CG 4.24Å
382R98Very high93.2Very high52 Ų5238.9 Ų38.920%0.19619%0.193CC..EExtended strand (participates in β ladder)trans-94.4-39.6-173.6-69.2-60.4-169157.28.9114.2E294 C295 W380 A396 D398 V423E294-R382 IonicContact OE1-CZ 3.31Å; E294-R382 IonicContact OE1-NH1 3.74Å; E294-R382 PolarHBondContact OE1-NH1 3.28Å; C295-R382 WeakPolarHBondContact CB-O 3.37Å; W380-R382 PolarHBondContact O-N 2.84Å; R382-A396 PolarHBondContact N-O 3.07Å; R382-D398 VanDerWaalsContact CG-OD1 3.24Å; R382-D398 WeakPolarHBondContact CG-OD1 3.43Å; R382-D398 IonicContact CZ-OD1 3.89Å; R382-D398 IonicContact CZ-OD2 3.74Å; R382-D398 VanDerWaalsContact NE-CG 3.25Å; R382-D398 IonicContact NE-OD1 2.71Å; R382-D398 PolarHBondContact NE-OD1 2.98Å; R382-D398 IonicContact NE-OD2 3.33Å; R382-D398 PolarHBondContact NE-OD2 3.45Å; R382-D398 IonicContact NH2-OD1 3.23Å; R382-D398 PolarHBondContact NH2-OD1 3.01Å; R382-D398 IonicContact NH2-OD2 3.13Å; R382-D398 PolarHBondContact NH2-OD2 3.46Å; R382-V423 WeakPolarHBondContact CB-O 3.22Å; R382-V423 WeakPolarHBondContact CG-O 3.41Å
383Q97.9Very high93.3Very high21 Ų2138.1 Ų38.110%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-149.3142.7-175-176.960.717.200110.7R127 V385 S395 A396 L426R127-Q383 VanDerWaalsContact NH1-CD 3.34Å; R127-Q383 VanDerWaalsContact NH1-NE2 3.12Å; Q383-V385 HydrophobicContact CG-CG2 4.23Å; Q383-S395 CarbonylContact O-C 3.54Å; Q383-S395 VanDerWaalsContact O-CA 3.3Å; Q383-S395 WeakPolarHBondContact O-CA 3.37Å; Q383-A396 HydrophobicContact CB-CB 4.36Å; Q383-A396 PolarHBondContact N-O 3.48Å; Q383-A396 PolarHBondContact O-N 3.49Å; Q383-L426 HydrophobicContact CG-CB 4.36Å; Q383-L426 WeakPolarHBondContact CG-O 3.31Å
384L97.3Very high93.3Very high4 Ų435.8 Ų35.82%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-124.2136.1177.1-67.6173.1000110.2A297 V352 S353 G354 I360 V381 L393 L394 S395A297-L384 HydrophobicContact CB-CB 4.41Å; V352-L384 HydrophobicContact CB-CD1 4.48Å; V352-L384 HydrophobicContact CG1-CD1 3.86Å; S353-L384 VanDerWaalsContact C-CD1 3.47Å; G354-L384 VanDerWaalsContact N-CD1 3.27Å; I360-L384 HydrophobicContact CD1-CD2 3.62Å; I360-L384 HydrophobicContact CG1-CD2 4.05Å; I360-L384 HydrophobicContact CG2-CD1 3.83Å; I360-L384 HydrophobicContact CG2-CD2 4.06Å; V381-L384 HydrophobicContact CG1-CD2 3.96Å; V381-L384 HydrophobicContact CG1-CG 4.24Å; L384-L393 HydrophobicContact CB-CD1 4.38Å; L384-L393 HydrophobicContact CD2-CD2 4.22Å; L384-L393 HydrophobicContact CD2-CG 4.45Å; L384-L394 WeakPolarHBondContact CA-O 3.4Å; L384-S395 VanDerWaalsContact CD2-CB 3.5Å
385V95.9Very high93.5Very high16 Ų1635.6 Ų35.610%0.09718%0.175CC..EExtended strand (participates in β ladder)trans-141.7122.5179.1-176.40000109.6Q383 L394 L426 V428Q383-V385 HydrophobicContact CG-CG2 4.23Å; V385-L394 PolarHBondContact N-O 2.92Å; V385-L394 PolarHBondContact O-N 3.45Å; V385-L426 HydrophobicContact CG2-CD2 4.49Å; V385-L426 HydrophobicContact CG2-CG 4.28Å; V385-L426 VanDerWaalsContact CG2-O 3.29Å; V385-L426 WeakPolarHBondContact CG2-O 3.49Å; V385-V428 HydrophobicContact CG1-CB 4.14Å; V385-V428 HydrophobicContact CG1-CG2 3.99Å
386F94.2Very high93.6Very high31 Ų3129.4 Ų29.414%0.13614%0.143CC..EExtended strand (participates in β ladder)trans-70.1135.7170.3-76.5-79.7000110.3A297 W298 A299 I308 V352 L393 L407A297-F386 HydrophobicContact CB-CD2 4.11Å; A297-F386 HydrophobicContact CB-CE2 3.99Å; W298-F386 WeakPolarHBondContact O-CE2 3.43Å; A299-F386 HydrophobicContact CB-CE1 4.27Å; A299-F386 HydrophobicContact CB-CE2 4.07Å; A299-F386 HydrophobicContact CB-CZ 3.69Å; I308-F386 HydrophobicContact CD1-CE1 4.29Å; I308-F386 HydrophobicContact CD1-CZ 4.34Å; V352-F386 HydrophobicContact CB-CZ 4.31Å; V352-F386 HydrophobicContact CG2-CE1 4.36Å; V352-F386 HydrophobicContact CG2-CE2 4.03Å; V352-F386 HydrophobicContact CG2-CZ 3.42Å; V352-F386 VanDerWaalsContact CG2-CZ 3.42Å; F386-L393 HydrophobicContact CD1-CD1 4.02Å; F386-L393 HydrophobicContact CD2-CD1 4.33Å; F386-L393 HydrophobicContact CE1-CD1 4.15Å; F386-L393 HydrophobicContact CE2-CD1 4.44Å; F386-L393 HydrophobicContact CG-CD1 4.14Å; F386-L393 HydrophobicContact CZ-CD1 4.38Å; F386-L407 HydrophobicContact CD1-CD1 4.14Å; F386-L407 HydrophobicContact CE1-CD1 3.82Å
387H91.4Very high93.9Very high8 Ų828.5 Ų28.54%0.03713%0.133CC..  trans-63.5144.6171.6-168.4-95.5000110.2A108 H389 G390 L392 L394A108-H387 PolarHBondContact O-NE2 3.36Å; H387-H389 AromaticContact CE1-CD2 3.37Å; H387-H389 PolarHBondContact CE1-CD2 3.47Å; H387-H389 AromaticContact ND1-CD2 3.74Å; H387-H389 AromaticContact ND1-CG 3.97Å; H387-H389 PolarHBondContact ND1-N 3.42Å; H387-H389 PolarHBondContact O-N 3.27Å; H387-H389 VanDerWaalsContact O-N 3.13Å; H387-G390 WeakPolarHBondContact O-CA 3.28Å; H387-G390 PolarHBondContact O-N 2.87Å; H387-L392 HydrophobicContact CB-CB 3.81Å; H387-L392 VanDerWaalsContact CB-O 3.31Å; H387-L392 WeakPolarHBondContact CB-O 3.3Å; H387-L392 PolarHBondContact N-O 3.06Å; H387-L394 HydrophobicContact CB-CD1 4.19Å
388P86Confident94Very high36 Ų3628.4 Ų28.423%0.23413%0.133CC..THydrogen-bonded Turntrans-54.5-33.2-179.2-2935.4000114.9H301 G390 V428 N429 R430H301-P388 PolarHBondContact CD2-O 2.89Å; H301-P388 VanDerWaalsContact CD2-O 3.29Å; P388-G390 VanDerWaalsContact C-N 3.26Å; P388-G390 PolarHBondContact O-N 3.18Å; P388-V428 HydrophobicContact CG-CG1 4.21Å; P388-N429 WeakPolarHBondContact CG-O 3.36Å; P388-R430 HydrophobicContact CG-CB 4.41Å; P388-R430 HydrophobicContact CG-CG 4.3Å
389H82.6Confident94Very high90 Ų9023.8 Ų23.842%0.41711%0.108SC..THydrogen-bonded Turntrans-81.4-0.8175.4-57.5-47.5000114.3D105 H387 R391D105-H389 PolarHBondContact O-NE2 3.29Å; H387-H389 AromaticContact CE1-CD2 3.37Å; H387-H389 PolarHBondContact CE1-CD2 3.47Å; H387-H389 AromaticContact ND1-CD2 3.74Å; H387-H389 AromaticContact ND1-CG 3.97Å; H387-H389 PolarHBondContact ND1-N 3.42Å; H387-H389 PolarHBondContact O-N 3.27Å; H387-H389 VanDerWaalsContact O-N 3.13Å; H389-R391 PolarHBondContact O-N 3.41Å
390G79.7Confident94Very high0 Ų025.9 Ų25.90%012%0.115CC..SBendtrans73.9-15.1171.100000117.3S304 H387 P388 L392 L407S304-G390 WeakPolarHBondContact CA-O 3.44Å; S304-G390 WeakPolarHBondContact CB-O 3.46Å; S304-G390 PolarHBondContact N-O 3.42Å; S304-G390 VanDerWaalsContact OG-C 3.23Å; S304-G390 WeakPolarHBondContact OG-CA 3.45Å; S304-G390 PolarHBondContact OG-O 3.32Å; H387-G390 WeakPolarHBondContact O-CA 3.28Å; H387-G390 PolarHBondContact O-N 2.87Å; P388-G390 VanDerWaalsContact C-N 3.26Å; P388-G390 PolarHBondContact O-N 3.18Å; G390-L392 VanDerWaalsContact C-N 3.33Å; G390-L392 PolarHBondContact O-N 2.97Å; G390-L407 WeakPolarHBondContact O-CD1 3.38Å
391R84.4Confident94Very high84 Ų8422.7 Ų22.732%0.31710%0.104SC..SBendtrans-69.8-29179.8-176.5178.6175.6-165.6-1.5114D107 H389 D406 L407D107-R391 IonicContact OD1-NH1 3.2Å; D107-R391 IonicContact OD2-NH1 2.78Å; H389-R391 PolarHBondContact O-N 3.41Å; R391-D406 IonicContact NH2-OD2 3.53Å; R391-L407 WeakPolarHBondContact O-CB 3.28Å; R391-L407 WeakPolarHBondContact O-CG 3.48Å; R391-L407 PolarHBondContact O-N 2.91Å
392L92.4Very high93.9Very high3 Ų322.7 Ų22.72%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-116.2148.3-171.2-55.6172.6000110.7I109 H387 G390 L394 V404 W405 D406I109-L392 HydrophobicContact CD1-CD1 3.63Å; I109-L392 HydrophobicContact CG1-CD1 3.59Å; H387-L392 HydrophobicContact CB-CB 3.81Å; H387-L392 VanDerWaalsContact CB-O 3.31Å; H387-L392 WeakPolarHBondContact CB-O 3.3Å; H387-L392 PolarHBondContact N-O 3.06Å; G390-L392 VanDerWaalsContact C-N 3.33Å; G390-L392 PolarHBondContact O-N 2.97Å; L392-L394 HydrophobicContact CB-CD1 4.46Å; L392-V404 HydrophobicContact CB-CG1 4.08Å; L392-V404 HydrophobicContact CD1-CG1 3.97Å; L392-V404 HydrophobicContact CD2-CG1 4.21Å; L392-V404 HydrophobicContact CG-CG1 4.31Å; L392-W405 VanDerWaalsContact CA-O 3.3Å; L392-W405 WeakPolarHBondContact CA-O 3.31Å; L392-D406 HydrophobicContact CD2-CB 4.37Å
393L94.9Very high93.8Very high0 Ų021.8 Ų21.80%010%0.101CC..EExtended strand (participates in β ladder)trans-117.3133.2168175.471.7000108V352 I360 F362 L384 F386 W405 L407V352-L393 HydrophobicContact CG1-CD2 3.88Å; I360-L393 HydrophobicContact CG2-CD2 4.17Å; F362-L393 HydrophobicContact CE1-CD2 4.42Å; F362-L393 HydrophobicContact CE2-CD2 4.33Å; F362-L393 HydrophobicContact CZ-CD2 3.63Å; L384-L393 HydrophobicContact CB-CD1 4.38Å; L384-L393 HydrophobicContact CD2-CD2 4.22Å; L384-L393 HydrophobicContact CD2-CG 4.45Å; F386-L393 HydrophobicContact CD1-CD1 4.02Å; F386-L393 HydrophobicContact CD2-CD1 4.33Å; F386-L393 HydrophobicContact CE1-CD1 4.15Å; F386-L393 HydrophobicContact CE2-CD1 4.44Å; F386-L393 HydrophobicContact CG-CD1 4.14Å; F386-L393 HydrophobicContact CZ-CD1 4.38Å; L393-W405 HydrophobicContact CB-CB 4.35Å; L393-W405 PolarHBondContact N-O 2.96Å; L393-W405 VanDerWaalsContact O-CD1 3.31Å; L393-W405 PolarHBondContact O-N 3.33Å; L393-L407 HydrophobicContact CB-CD2 3.75Å; L393-L407 HydrophobicContact CB-CG 4.29Å; L393-L407 HydrophobicContact CD2-CD2 4.39Å
394L96.5Very high93.7Very high0 Ų020.8 Ų20.80%010%0.096CC..EExtended strand (participates in β ladder)trans-106.8143.1172.5-70.171.3000110P110 L384 V385 H387 L392 I402 R403 V404 L426 V428P110-L394 HydrophobicContact CG-CD2 3.94Å; L384-L394 WeakPolarHBondContact CA-O 3.4Å; V385-L394 PolarHBondContact N-O 2.92Å; V385-L394 PolarHBondContact O-N 3.45Å; H387-L394 HydrophobicContact CB-CD1 4.19Å; L392-L394 HydrophobicContact CB-CD1 4.46Å; L394-I402 HydrophobicContact CD2-CG2 4.43Å; L394-R403 CarbonylContact C-O 3.53Å; L394-R403 VanDerWaalsContact CA-O 3.27Å; L394-R403 WeakPolarHBondContact CA-O 3.21Å; L394-V404 HydrophobicContact CD1-CG1 4.25Å; L394-V404 HydrophobicContact CD1-CG2 4.46Å; L394-V404 HydrophobicContact CD2-CG2 4.16Å; L394-V404 HydrophobicContact CG-CB 4.45Å; L394-V404 HydrophobicContact CG-CG1 4.41Å; L394-V404 HydrophobicContact CG-CG2 3.81Å; L394-L426 HydrophobicContact CB-CD2 3.58Å; L394-L426 HydrophobicContact CD2-CD2 4.49Å; L394-V428 HydrophobicContact CD2-CG2 3.83Å
395S97.9Very high93.6Very high0 Ų020.8 Ų20.80%010%0.096CC..EExtended strand (participates in β ladder)trans-132.1140178.159.80000111.4H377 Q383 L384 I402 R403 W405H377-S395 WeakPolarHBondContact NE2-CB 3.49Å; H377-S395 PolarHBondContact NE2-OG 2.94Å; Q383-S395 CarbonylContact O-C 3.54Å; Q383-S395 VanDerWaalsContact O-CA 3.3Å; Q383-S395 WeakPolarHBondContact O-CA 3.37Å; L384-S395 VanDerWaalsContact CD2-CB 3.5Å; S395-I402 CarbonylContact O-C 3.58Å; S395-I402 VanDerWaalsContact O-CA 3.23Å; S395-I402 WeakPolarHBondContact O-CA 3.39Å; S395-R403 PolarHBondContact N-O 2.78Å; S395-R403 PolarHBondContact O-N 3Å; S395-R403 PolarHBondContact OG-O 3.45Å; S395-W405 PolarHBondContact OG-NE1 3.46Å
396A97.9Very high93.4Very high0 Ų020.1 Ų20.10%09%0.092CC..EExtended strand (participates in β ladder)trans-107.8145.2170.700000110.4R382 Q383 V423 L426R382-A396 PolarHBondContact N-O 3.07Å; Q383-A396 HydrophobicContact CB-CB 4.36Å; Q383-A396 PolarHBondContact N-O 3.48Å; Q383-A396 PolarHBondContact O-N 3.49Å; A396-V423 HydrophobicContact CB-CB 3.99Å; A396-V423 HydrophobicContact CB-CG1 3.61Å; A396-L426 HydrophobicContact CB-CB 3.8Å; A396-L426 HydrophobicContact CB-CD2 4.45Å
397S98.1Very high93.2Very high0 Ų018.7 Ų18.70%09%0.085CC..EExtended strand (participates in β ladder)trans-144.6158.9-172.9173.30000113.8H377 N379 W380 D399 K400 T401 V423H377-S397 WeakPolarHBondContact CE1-CB 3.34Å; H377-S397 WeakPolarHBondContact ND1-CB 3.28Å; H377-S397 PolarHBondContact ND1-OG 3.16Å; N379-S397 PolarHBondContact O-OG 3.43Å; W380-S397 WeakPolarHBondContact O-CA 3.27Å; W380-S397 WeakPolarHBondContact O-CB 3.17Å; W380-S397 PolarHBondContact O-OG 2.77Å; W380-S397 VanDerWaalsContact O-OG 3.04Å; S397-D399 VanDerWaalsContact CB-OD1 3.27Å; S397-D399 WeakPolarHBondContact CB-OD1 3.46Å; S397-D399 PolarHBondContact O-N 3.29Å; S397-D399 VanDerWaalsContact OG-CG 3.23Å; S397-D399 PolarHBondContact OG-N 3.43Å; S397-D399 VanDerWaalsContact OG-N 3.14Å; S397-D399 PolarHBondContact OG-OD1 3Å; S397-D399 PolarHBondContact OG-OD2 3.31Å; S397-K400 PolarHBondContact O-N 2.96Å; S397-K400 VanDerWaalsContact O-N 3.16Å; S397-T401 PolarHBondContact N-O 3.23Å; S397-V423 PolarHBondContact O-N 3.33Å; S397-V423 VanDerWaalsContact O-N 3.07Å
398D98.1Very high93Very high5 Ų523.3 Ų23.33%0.02711%0.105CC..THydrogen-bonded Turntrans-68.8-2.4169.7-78.312.3000113N379 W380 R382 K400 F422N379-D398 HydrophobicContact CB-CB 3.9Å; N379-D398 WeakPolarHBondContact ND2-CB 3.38Å; N379-D398 PolarHBondContact ND2-O 2.79Å; W380-D398 HydrophobicContact CB-CB 4.3Å; W380-D398 PolarHBondContact O-N 3.21Å; R382-D398 VanDerWaalsContact CG-OD1 3.24Å; R382-D398 WeakPolarHBondContact CG-OD1 3.43Å; R382-D398 IonicContact CZ-OD1 3.89Å; R382-D398 IonicContact CZ-OD2 3.74Å; R382-D398 VanDerWaalsContact NE-CG 3.25Å; R382-D398 IonicContact NE-OD1 2.71Å; R382-D398 PolarHBondContact NE-OD1 2.98Å; R382-D398 IonicContact NE-OD2 3.33Å; R382-D398 PolarHBondContact NE-OD2 3.45Å; R382-D398 IonicContact NH2-OD1 3.23Å; R382-D398 PolarHBondContact NH2-OD1 3.01Å; R382-D398 IonicContact NH2-OD2 3.13Å; R382-D398 PolarHBondContact NH2-OD2 3.46Å; D398-K400 PolarHBondContact O-N 2.7Å; D398-F422 HydrophobicContact CB-CB 4.19Å; D398-F422 HydrophobicContact CB-CD1 3.97Å; D398-F422 HydrophobicContact CB-CD2 4.1Å; D398-F422 HydrophobicContact CB-CE1 4.37Å; D398-F422 HydrophobicContact CB-CE2 4.49Å; D398-F422 HydrophobicContact CB-CG 3.82Å; D398-F422 WeakPolarHBondContact O-CD1 3.45Å; D398-F422 WeakPolarHBondContact O-CE1 3.4Å; D398-F422 WeakPolarHBondContact OD1-CB 3.45Å
399D97.4Very high93.1Very high27 Ų2725.1 Ų25.114%0.14411%0.113CC..THydrogen-bonded Turntrans-80.87.9167.967.614.5000112.8H377 D378 N379 S397 T401H377-D399 WeakPolarHBondContact CA-OD2 3.13Å; H377-D399 WeakPolarHBondContact CB-OD2 3.43Å; H377-D399 IonicContact CE1-OD1 3.88Å; H377-D399 IonicContact CE1-OD2 3.44Å; H377-D399 IonicContact CG-OD2 3.4Å; H377-D399 IonicContact ND1-OD1 2.75Å; H377-D399 PolarHBondContact ND1-OD1 2.67Å; H377-D399 IonicContact ND1-OD2 3.92Å; H377-D399 PolarHBondContact ND1-OD2 3.38Å; D378-D399 HydrophobicContact CB-CB 4.13Å; D378-D399 PolarHBondContact N-OD2 3.28Å; N379-D399 HydrophobicContact CB-CB 3.95Å; S397-D399 VanDerWaalsContact CB-OD1 3.27Å; S397-D399 WeakPolarHBondContact CB-OD1 3.46Å; S397-D399 PolarHBondContact O-N 3.29Å; S397-D399 VanDerWaalsContact OG-CG 3.23Å; S397-D399 PolarHBondContact OG-N 3.43Å; S397-D399 VanDerWaalsContact OG-N 3.14Å; S397-D399 PolarHBondContact OG-OD1 3Å; S397-D399 PolarHBondContact OG-OD2 3.31Å; D399-T401 VanDerWaalsContact CG-OG1 3.28Å; D399-T401 PolarHBondContact O-N 3.45Å; D399-T401 WeakPolarHBondContact OD1-CA 3.49Å; D399-T401 VanDerWaalsContact OD1-CB 3.3Å; D399-T401 WeakPolarHBondContact OD1-CB 3.48Å; D399-T401 PolarHBondContact OD1-N 3.11Å; D399-T401 PolarHBondContact OD1-OG1 3.37Å; D399-T401 PolarHBondContact OD2-OG1 2.93Å
400K97.7Very high93.4Very high90 Ų9024.7 Ų24.739%0.39111%0.108SC..SBendtrans73.65.9179.4-41.6176.2179-166.20113.9S397 D398 A418 H419 S420 H421S397-K400 PolarHBondContact O-N 2.96Å; S397-K400 VanDerWaalsContact O-N 3.16Å; D398-K400 PolarHBondContact O-N 2.7Å; K400-A418 PolarHBondContact O-N 2.79Å; K400-H419 PolarHBondContact O-N 3.27Å; K400-S420 WeakPolarHBondContact CD-O 3.36Å; K400-S420 WeakPolarHBondContact CE-O 3.32Å; K400-S420 PolarHBondContact NZ-O 3.24Å; K400-H421 WeakPolarHBondContact CB-O 3.39Å
401T97.5Very high93.9Very high9 Ų931.8 Ų31.86%0.05514%0.135CC..EExtended strand (participates in β ladder)trans-106.8151.9-17675.50000113.2H377 S397 D399 T415 L416H377-T401 PolarHBondContact CE1-OG1 3.43Å; S397-T401 PolarHBondContact N-O 3.23Å; D399-T401 VanDerWaalsContact CG-OG1 3.28Å; D399-T401 PolarHBondContact O-N 3.45Å; D399-T401 WeakPolarHBondContact OD1-CA 3.49Å; D399-T401 VanDerWaalsContact OD1-CB 3.3Å; D399-T401 WeakPolarHBondContact OD1-CB 3.48Å; D399-T401 PolarHBondContact OD1-N 3.11Å; D399-T401 PolarHBondContact OD1-OG1 3.37Å; D399-T401 PolarHBondContact OD2-OG1 2.93Å; T401-T415 HydrophobicContact CG2-CG2 3.85Å; T401-L416 CarbonylContact C-O 3.47Å; T401-L416 WeakPolarHBondContact CA-O 2.98Å; T401-L416 WeakPolarHBondContact CB-O 3.39Å
402I96.7Very high94.3Very high0 Ų029.8 Ų29.80%013%0.133CC..EExtended strand (participates in β ladder)trans-100.4131.9155.6-58.3154.5000107L394 S395 L416 A418 L426 T437 W447L394-I402 HydrophobicContact CD2-CG2 4.43Å; S395-I402 CarbonylContact O-C 3.58Å; S395-I402 VanDerWaalsContact O-CA 3.23Å; S395-I402 WeakPolarHBondContact O-CA 3.39Å; I402-L416 HydrophobicContact CB-CB 4.41Å; I402-L416 PolarHBondContact N-O 3.46Å; I402-L416 PolarHBondContact O-N 2.8Å; I402-A418 HydrophobicContact CD1-CB 3.47Å; I402-A418 VanDerWaalsContact CD1-CB 3.47Å; I402-A418 HydrophobicContact CG1-CB 3.61Å; I402-L426 HydrophobicContact CD1-CD1 4.44Å; I402-L426 HydrophobicContact CG2-CD1 4.49Å; I402-L426 HydrophobicContact CG2-CD2 4.14Å; I402-T437 HydrophobicContact CD1-CG2 3.24Å; I402-T437 HydrophobicContact CG1-CG2 3.77Å; I402-W447 HydrophobicContact CD1-CZ2 4.33Å
403R96.3Very high94.2Very high33 Ų3333.9 Ų33.913%0.12515%0.152CC..EExtended strand (participates in β ladder)trans-112.7138.8171.3-69.7-176-179.5-138.35.4110.5G376 H377 L394 S395 W405 K414 T415G376-R403 PolarHBondContact O-NH1 3.01Å; G376-R403 PolarHBondContact O-NH2 3.18Å; H377-R403 VanDerWaalsContact CE1-CD 3.49Å; H377-R403 WeakPolarHBondContact CE1-CD 3.45Å; H377-R403 VanDerWaalsContact CE1-CG 3.48Å; H377-R403 WeakPolarHBondContact CE1-CG 3.27Å; L394-R403 CarbonylContact C-O 3.53Å; L394-R403 VanDerWaalsContact CA-O 3.27Å; L394-R403 WeakPolarHBondContact CA-O 3.21Å; S395-R403 PolarHBondContact N-O 2.78Å; S395-R403 PolarHBondContact O-N 3Å; S395-R403 PolarHBondContact OG-O 3.45Å; R403-W405 HydrophobicContact CB-CZ2 3.93Å; R403-W405 HydrophobicContact CG-CZ2 4.42Å; R403-K414 WeakPolarHBondContact CA-O 3.36Å; R403-T415 HydrophobicContact CG-CG2 4.03Å
404V95.4Very high94Very high0 Ų036.7 Ų36.70%016%0.164CC..EExtended strand (participates in β ladder)trans-106.7124.4171.7-176.40000107.2I109 L392 L394 C412 H413 K414I109-V404 HydrophobicContact CD1-CG1 4.16Å; I109-V404 HydrophobicContact CG1-CG1 4.09Å; I109-V404 HydrophobicContact CG2-CB 4.45Å; I109-V404 HydrophobicContact CG2-CG1 4.49Å; I109-V404 HydrophobicContact CG2-CG2 3.7Å; L392-V404 HydrophobicContact CB-CG1 4.08Å; L392-V404 HydrophobicContact CD1-CG1 3.97Å; L392-V404 HydrophobicContact CD2-CG1 4.21Å; L392-V404 HydrophobicContact CG-CG1 4.31Å; L394-V404 HydrophobicContact CD1-CG1 4.25Å; L394-V404 HydrophobicContact CD1-CG2 4.46Å; L394-V404 HydrophobicContact CD2-CG2 4.16Å; L394-V404 HydrophobicContact CG-CB 4.45Å; L394-V404 HydrophobicContact CG-CG1 4.41Å; L394-V404 HydrophobicContact CG-CG2 3.81Å; V404-C412 CarbonylContact O-C 3.43Å; V404-H413 WeakPolarHBondContact O-CA 3.32Å; V404-H413 WeakPolarHBondContact O-CB 3.3Å; V404-H413 PolarHBondContact O-N 3Å; V404-K414 HydrophobicContact CB-CB 4.3Å; V404-K414 HydrophobicContact CG2-CB 4.5Å; V404-K414 PolarHBondContact N-O 3.41Å; V404-K414 PolarHBondContact O-N 3.16Å
405W95Very high93.9Very high4 Ų439.7 Ų39.72%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-110131-176.5-54.689.2000109.7I360 L374 H377 L392 L393 S395 R403 C412I360-W405 HydrophobicContact CD1-CZ2 4.13Å; L374-W405 HydrophobicContact CB-CD2 4.4Å; L374-W405 HydrophobicContact CB-CE3 3.93Å; L374-W405 HydrophobicContact CB-CH2 4.36Å; L374-W405 HydrophobicContact CB-CZ3 3.9Å; L374-W405 HydrophobicContact CD1-CB 3.82Å; L374-W405 HydrophobicContact CD1-CD2 3.8Å; L374-W405 HydrophobicContact CD1-CE3 3.77Å; L374-W405 HydrophobicContact CD1-CG 3.83Å; L374-W405 HydrophobicContact CD2-CE3 4.38Å; L374-W405 HydrophobicContact CG-CE3 4.25Å; H377-W405 AromaticContact CD2-CZ2 3.96Å; L392-W405 VanDerWaalsContact CA-O 3.3Å; L392-W405 WeakPolarHBondContact CA-O 3.31Å; L393-W405 HydrophobicContact CB-CB 4.35Å; L393-W405 PolarHBondContact N-O 2.96Å; L393-W405 VanDerWaalsContact O-CD1 3.31Å; L393-W405 PolarHBondContact O-N 3.33Å; S395-W405 PolarHBondContact OG-NE1 3.46Å; R403-W405 HydrophobicContact CB-CZ2 3.93Å; R403-W405 HydrophobicContact CG-CZ2 4.42Å; W405-C412 HydrophobicContact CD2-CB 4.46Å; W405-C412 HydrophobicContact CE3-CB 3.85Å; W405-C412 HydrophobicContact CH2-CB 4.26Å; W405-C412 HydrophobicContact CZ3-CB 3.74Å
406D92Very high93.8Very high3 Ų340 Ų402%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-84.6110.7168.5-174.2-19.2000108.2R391 L392 K408 N409 R410 R411 H413R391-D406 IonicContact NH2-OD2 3.53Å; L392-D406 HydrophobicContact CD2-CB 4.37Å; D406-K408 VanDerWaalsContact C-N 3.32Å; D406-K408 PolarHBondContact O-N 3.16Å; D406-K408 PolarHBondContact OD1-N 3.4Å; D406-K408 VanDerWaalsContact OD1-N 3.16Å; D406-N409 HydrophobicContact CB-CB 4.32Å; D406-N409 PolarHBondContact O-N 3.19Å; D406-N409 PolarHBondContact OD1-N 3.06Å; D406-N409 PolarHBondContact OD2-ND2 2.94Å; D406-R410 PolarHBondContact O-N 3.37Å; D406-R411 PolarHBondContact N-O 3.26Å; D406-R411 PolarHBondContact O-N 3.18Å; D406-H413 HydrophobicContact CB-CB 4.39Å
407L89.6Confident93.6Very high0 Ų046.4 Ų46.40%022%0.219CC..THydrogen-bonded Turntrans-65-37.3-174.9-66179.2000112.1A307 I308 S311 F362 F386 G390 R391 L393A307-L407 HydrophobicContact CB-CB 3.77Å; I308-L407 HydrophobicContact CG1-CD1 4.33Å; S311-L407 VanDerWaalsContact CB-O 3.31Å; S311-L407 WeakPolarHBondContact CB-O 3.48Å; S311-L407 PolarHBondContact OG-O 3.37Å; F362-L407 HydrophobicContact CE1-CD2 3.49Å; F362-L407 VanDerWaalsContact CE1-CD2 3.49Å; F362-L407 HydrophobicContact CZ-CD2 3.39Å; F386-L407 HydrophobicContact CD1-CD1 4.14Å; F386-L407 HydrophobicContact CE1-CD1 3.82Å; G390-L407 WeakPolarHBondContact O-CD1 3.38Å; R391-L407 WeakPolarHBondContact O-CB 3.28Å; R391-L407 WeakPolarHBondContact O-CG 3.48Å; R391-L407 PolarHBondContact O-N 2.91Å; L393-L407 HydrophobicContact CB-CD2 3.75Å; L393-L407 HydrophobicContact CB-CG 4.29Å; L393-L407 HydrophobicContact CD2-CD2 4.39Å
408K86.3Confident93.5Very high105 Ų10546.6 Ų46.646%0.45722%0.22SC..THydrogen-bonded Turntrans-66.1-45.4-179.6-176.9177.4179178.10110.8A307 D406A307-K408 HydrophobicContact CB-CB 4.5Å; D406-K408 VanDerWaalsContact C-N 3.32Å; D406-K408 PolarHBondContact O-N 3.16Å; D406-K408 PolarHBondContact OD1-N 3.4Å; D406-K408 VanDerWaalsContact OD1-N 3.16Å
409N87.9Confident93.4Very high74 Ų7447 Ų4740%0.39622%0.222SC..THydrogen-bonded Turntrans-91.81.8-174.2-66.2-46.8000114D406 R411D406-N409 HydrophobicContact CB-CB 4.32Å; D406-N409 PolarHBondContact O-N 3.19Å; D406-N409 PolarHBondContact OD1-N 3.06Å; D406-N409 PolarHBondContact OD2-ND2 2.94Å; N409-R411 HydrophobicContact CB-CG 3.97Å; N409-R411 PolarHBondContact O-N 2.93Å
410R90.2Very high93.3Very high82 Ų8249.8 Ų49.831%0.30924%0.243SC..THydrogen-bonded Turntrans48.235.9-179-61-178-79.2-178.6-6.2114.3S311 F372 L374 D406S311-R410 PolarHBondContact O-NE 3.34Å; S311-R410 PolarHBondContact O-NH1 3.09Å; S311-R410 VanDerWaalsContact O-NH1 3.11Å; S311-R410 PolarHBondContact O-NH2 3.29Å; F372-R410 HydrophobicContact CD2-CG 4.11Å; F372-R410 HydrophobicContact CE2-CG 4.11Å; L374-R410 HydrophobicContact CD2-CB 4Å; D406-R410 PolarHBondContact O-N 3.37Å
411R90.9Very high93.3Very high148 Ų14848.9 Ų48.956%0.55824%0.24SC*.EExtended strand (participates in β ladder)trans-131.1152.8-176.770.9179.7-178.7176.7-0.6112.2D406 N409 H413D406-R411 PolarHBondContact N-O 3.26Å; D406-R411 PolarHBondContact O-N 3.18Å; N409-R411 HydrophobicContact CB-CG 3.97Å; N409-R411 PolarHBondContact O-N 2.93Å; R411-H413 PolarHBondContact O-N 3.23Å
412C91.2Very high93.3Very high42 Ų4251.5 Ų51.528%0.28425%0.251SS..EExtended strand (participates in β ladder)trans-67.2115.3167.2-173.10000108.5V404 W405 K414 T415V404-C412 CarbonylContact O-C 3.43Å; W405-C412 HydrophobicContact CD2-CB 4.46Å; W405-C412 HydrophobicContact CE3-CB 3.85Å; W405-C412 HydrophobicContact CH2-CB 4.26Å; W405-C412 HydrophobicContact CZ3-CB 3.74Å; C412-K414 PolarHBondContact SG-O 2.81Å; C412-K414 VanDerWaalsContact SG-O 3.42Å; C412-T415 PolarHBondContact SG-OG1 3.4Å; C412-T415 VanDerWaalsContact SG-OG1 3.33Å
413H90Very high93.4Very high89 Ų8951.5 Ų51.541%0.41225%0.251SS..EExtended strand (participates in β ladder)trans-77.2-42.2176.3-179.783000111.2V404 D406 R411V404-H413 WeakPolarHBondContact O-CA 3.32Å; V404-H413 WeakPolarHBondContact O-CB 3.3Å; V404-H413 PolarHBondContact O-N 3Å; D406-H413 HydrophobicContact CB-CB 4.39Å; R411-H413 PolarHBondContact O-N 3.23Å
414K92.6Very high93.4Very high59 Ų5951.1 Ų51.126%0.25725%0.253SS..EExtended strand (participates in β ladder)trans-150.6141.2-178.5-164.3179-170.4-1700110.7I109 P110 R403 V404 C412 L416I109-K414 HydrophobicContact CG2-CD 3.77Å; P110-K414 PolarHBondContact O-NZ 2.59Å; R403-K414 WeakPolarHBondContact CA-O 3.36Å; V404-K414 HydrophobicContact CB-CB 4.3Å; V404-K414 HydrophobicContact CG2-CB 4.5Å; V404-K414 PolarHBondContact N-O 3.41Å; V404-K414 PolarHBondContact O-N 3.16Å; C412-K414 PolarHBondContact SG-O 2.81Å; C412-K414 VanDerWaalsContact SG-O 3.42Å; K414-L416 HydrophobicContact CD-CD2 3.98Å; K414-L416 HydrophobicContact CD-CG 4.33Å; K414-L416 HydrophobicContact CG-CD2 4.22Å; K414-L416 HydrophobicContact CG-CG 4.35Å
415T94.4Very high93.5Very high64 Ų6451.2 Ų51.239%0.39325%0.253SS..EExtended strand (participates in β ladder)trans-116.1135.3169.3-59.40000108.5T401 R403 C412T401-T415 HydrophobicContact CG2-CG2 3.85Å; R403-T415 HydrophobicContact CG-CG2 4.03Å; C412-T415 PolarHBondContact SG-OG1 3.4Å; C412-T415 VanDerWaalsContact SG-OG1 3.33Å
416L94.4Very high93.6Very high6 Ų651 Ų513%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-126.2125.7-177.9-63.4169.7000108.9P110 P112 T401 I402 K414 A418P110-L416 HydrophobicContact CB-CD1 3.62Å; P110-L416 HydrophobicContact CG-CD1 4.48Å; P110-L416 VanDerWaalsContact O-CD1 3.26Å; P110-L416 WeakPolarHBondContact O-CD1 3.18Å; P112-L416 HydrophobicContact CG-CD2 3.64Å; T401-L416 CarbonylContact C-O 3.47Å; T401-L416 WeakPolarHBondContact CA-O 2.98Å; T401-L416 WeakPolarHBondContact CB-O 3.39Å; I402-L416 HydrophobicContact CB-CB 4.41Å; I402-L416 PolarHBondContact N-O 3.46Å; I402-L416 PolarHBondContact O-N 2.8Å; K414-L416 HydrophobicContact CD-CD2 3.98Å; K414-L416 HydrophobicContact CD-CG 4.33Å; K414-L416 HydrophobicContact CG-CD2 4.22Å; K414-L416 HydrophobicContact CG-CG 4.35Å; L416-A418 PolarHBondContact O-N 2.75Å; L416-A418 VanDerWaalsContact O-N 3.1Å
417N95.1Very high93.9Very high135 Ų13552 Ų5272%0.72226%0.258SS*.EExtended strand (participates in β ladder)trans-72.3103.1167-68.1-22.4000107.7
418A94.4Very high94.2Very high3 Ų352.3 Ų52.33%0.02526%0.26CS..  trans-87.8-42.3-169.700000111.9K400 I402 L416 V423 H445 W447K400-A418 PolarHBondContact O-N 2.79Å; I402-A418 HydrophobicContact CD1-CB 3.47Å; I402-A418 VanDerWaalsContact CD1-CB 3.47Å; I402-A418 HydrophobicContact CG1-CB 3.61Å; L416-A418 PolarHBondContact O-N 2.75Å; L416-A418 VanDerWaalsContact O-N 3.1Å; A418-V423 HydrophobicContact CB-CG2 3.86Å; A418-H445 PolarHBondContact O-CD2 3.12Å; A418-H445 PolarHBondContact O-NE2 3.21Å; A418-W447 HydrophobicContact CB-CH2 4.4Å; A418-W447 HydrophobicContact CB-CZ2 3.8Å; A418-W447 WeakPolarHBondContact O-CZ2 3.45Å
419H96.8Very high94.5Very high14 Ų1447.8 Ų47.87%0.06524%0.24CC..  trans-139168.7-175.6-73-90.6000111.3K400 H421 V423 T437 S439 D441 T443 H445K400-H419 PolarHBondContact O-N 3.27Å; H419-H421 WeakPolarHBondContact CB-O 3.31Å; H419-V423 HydrophobicContact CB-CG2 4.5Å; H419-T437 WeakPolarHBondContact NE2-CB 3.35Å; H419-T437 PolarHBondContact NE2-OG1 2.74Å; H419-S439 VanDerWaalsContact ND1-CB 3.34Å; H419-S439 WeakPolarHBondContact ND1-CB 3.48Å; H419-D441 IonicContact ND1-OD1 3.89Å; H419-D441 IonicContact ND1-OD2 2.73Å; H419-T443 PolarHBondContact CE1-O 3.33Å; H419-T443 VanDerWaalsContact CE1-O 3.24Å; H419-T443 PolarHBondContact CE1-OG1 2.86Å; H419-T443 PolarHBondContact ND1-OG1 2.99Å; H419-H445 AromaticContact CE1-CD2 3.89Å; H419-H445 AromaticContact CE1-CE1 3.94Å; H419-H445 AromaticContact CE1-CG 3.55Å; H419-H445 AromaticContact CE1-ND1 3.62Å; H419-H445 AromaticContact ND1-CE1 3.91Å; H419-H445 AromaticContact ND1-NE2 3.94Å; H419-H445 AromaticContact NE2-CG 3.97Å
420S94.9Very high94.5Very high86 Ų8654 Ų5460%0.60126%0.258SS*.SBendtrans-76-17.6174.1690000112.5K400 D441K400-S420 WeakPolarHBondContact CD-O 3.36Å; K400-S420 WeakPolarHBondContact CE-O 3.32Å; K400-S420 PolarHBondContact NZ-O 3.24Å; S420-D441 PolarHBondContact N-OD2 2.74Å; S420-D441 PolarHBondContact OG-OD2 3.25Å
421H97.2Very high94.3Very high71 Ų7154.9 Ų54.933%0.32927%0.268SS..SBendtrans-131.5-177.2178.3-148.3-78.6000111.3K400 H419 S439 V440 D441K400-H421 WeakPolarHBondContact CB-O 3.39Å; H419-H421 WeakPolarHBondContact CB-O 3.31Å; H421-S439 PolarHBondContact O-OG 2.67Å; H421-V440 HydrophobicContact CB-CB 4.38Å; H421-V440 WeakPolarHBondContact ND1-CB 3.47Å; H421-D441 HydrophobicContact CB-CB 3.9Å
422F98.2Very high94.2Very high63 Ų6348.8 Ų48.828%0.27625%0.25SS..  trans-51.5134.6-178.7-57.6-12.8000112.8D398 S439 V440D398-F422 HydrophobicContact CB-CB 4.19Å; D398-F422 HydrophobicContact CB-CD1 3.97Å; D398-F422 HydrophobicContact CB-CD2 4.1Å; D398-F422 HydrophobicContact CB-CE1 4.37Å; D398-F422 HydrophobicContact CB-CE2 4.49Å; D398-F422 HydrophobicContact CB-CG 3.82Å; D398-F422 WeakPolarHBondContact O-CD1 3.45Å; D398-F422 WeakPolarHBondContact O-CE1 3.4Å; D398-F422 WeakPolarHBondContact OD1-CB 3.45Å; F422-S439 VanDerWaalsContact O-CA 3.31Å; F422-S439 WeakPolarHBondContact O-CA 3.24Å; F422-S439 VanDerWaalsContact O-CB 3.31Å; F422-S439 WeakPolarHBondContact O-CB 3.4Å; F422-S439 PolarHBondContact O-OG 2.9Å; F422-V440 HydrophobicContact CB-CG2 3.92Å; F422-V440 HydrophobicContact CD2-CG2 4.45Å; F422-V440 PolarHBondContact O-N 3.47Å
423V98.1Very high94.1Very high0 Ų048.1 Ų48.10%025%0.245CC..EExtended strand (participates in β ladder)trans-90.4111.4176.7-166.30000108.2R382 A396 S397 A418 H419 T437R382-V423 WeakPolarHBondContact CB-O 3.22Å; R382-V423 WeakPolarHBondContact CG-O 3.41Å; A396-V423 HydrophobicContact CB-CB 3.99Å; A396-V423 HydrophobicContact CB-CG1 3.61Å; S397-V423 PolarHBondContact O-N 3.33Å; S397-V423 VanDerWaalsContact O-N 3.07Å; A418-V423 HydrophobicContact CB-CG2 3.86Å; H419-V423 HydrophobicContact CB-CG2 4.5Å; V423-T437 HydrophobicContact CG1-CG2 4.03Å
424T97.6Very high94.3Very high26 Ų2645.2 Ų45.216%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-89.5-32-17250.80000112.5I125 G438 V440I125-T424 VanDerWaalsContact O-CB 3.28Å; I125-T424 WeakPolarHBondContact O-CB 3.3Å; I125-T424 PolarHBondContact O-OG1 3.34Å; T424-G438 PolarHBondContact N-O 3.49Å; T424-G438 PolarHBondContact OG1-O 3.46Å; T424-G438 VanDerWaalsContact OG1-O 3.13Å; T424-V440 HydrophobicContact CG2-CG2 3.6Å
425S97.6Very high94.5Very high1 Ų142.4 Ų42.41%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-146.7152.3-178.1-177.50000111.5V128 T437 G438V128-S425 WeakPolarHBondContact CG2-OG 3.34Å; V128-S425 PolarHBondContact N-OG 3.19Å; V128-S425 PolarHBondContact O-OG 3.14Å; S425-T437 VanDerWaalsContact O-CA 3.3Å; S425-T437 WeakPolarHBondContact O-CA 3.25Å; S425-G438 PolarHBondContact N-O 3.2Å; S425-G438 PolarHBondContact O-N 2.78Å
426L97.5Very high94.6Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-143.5142.2178166.271.7000108.6Q383 V385 L394 A396 I402 I436 T437Q383-L426 HydrophobicContact CG-CB 4.36Å; Q383-L426 WeakPolarHBondContact CG-O 3.31Å; V385-L426 HydrophobicContact CG2-CD2 4.49Å; V385-L426 HydrophobicContact CG2-CG 4.28Å; V385-L426 VanDerWaalsContact CG2-O 3.29Å; V385-L426 WeakPolarHBondContact CG2-O 3.49Å; L394-L426 HydrophobicContact CB-CD2 3.58Å; L394-L426 HydrophobicContact CD2-CD2 4.49Å; A396-L426 HydrophobicContact CB-CB 3.8Å; A396-L426 HydrophobicContact CB-CD2 4.45Å; I402-L426 HydrophobicContact CD1-CD1 4.44Å; I402-L426 HydrophobicContact CG2-CD1 4.49Å; I402-L426 HydrophobicContact CG2-CD2 4.14Å; L426-I436 WeakPolarHBondContact CA-O 3.46Å; L426-T437 HydrophobicContact CB-CG2 4.09Å; L426-T437 HydrophobicContact CD1-CG2 3.5Å; L426-T437 VanDerWaalsContact CD1-CG2 3.5Å; L426-T437 HydrophobicContact CG-CG2 4.39Å
427D97.3Very high94.8Very high24 Ų2439 Ų3913%0.12820%0.198CC..EExtended strand (participates in β ladder)trans-144.2152.7166.5-164.727.4000111.5F130 A435 I436F130-D427 HydrophobicContact CD2-CB 4.13Å; F130-D427 WeakPolarHBondContact CD2-OD2 3.44Å; F130-D427 PolarHBondContact N-OD2 2.74Å; D427-A435 CarbonylContact O-C 3.53Å; D427-A435 WeakPolarHBondContact O-CA 3.37Å; D427-I436 HydrophobicContact CB-CD1 4.28Å; D427-I436 HydrophobicContact CB-CG1 3.92Å; D427-I436 PolarHBondContact N-O 3.48Å; D427-I436 PolarHBondContact O-N 2.84Å
428V95.1Very high95Very high7 Ų732.6 Ų32.64%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-123.4125.8179.7-176.20000108.5V385 P388 L394 R430 A435V385-V428 HydrophobicContact CG1-CB 4.14Å; V385-V428 HydrophobicContact CG1-CG2 3.99Å; P388-V428 HydrophobicContact CG-CG1 4.21Å; L394-V428 HydrophobicContact CD2-CG2 3.83Å; V428-R430 PolarHBondContact O-N 2.74Å; V428-A435 HydrophobicContact CG2-CB 4.26Å
429N93Very high95.1Very high10 Ų1032.5 Ų32.55%0.05316%0.163CC..  trans-69.1133.5-179.3-170.2-34.2000109.9F130 Y151 P388 L431 A432 Y434F130-N429 HydrophobicContact CD1-CB 4.06Å; F130-N429 HydrophobicContact CD2-CB 3.71Å; F130-N429 HydrophobicContact CE1-CB 4.01Å; F130-N429 HydrophobicContact CE2-CB 3.63Å; F130-N429 VanDerWaalsContact CE2-N 3.32Å; F130-N429 HydrophobicContact CG-CB 3.9Å; F130-N429 HydrophobicContact CZ-CB 3.77Å; Y151-N429 WeakPolarHBondContact CE1-ND2 3.23Å; Y151-N429 VanDerWaalsContact CZ-ND2 3.3Å; Y151-N429 PolarHBondContact OH-ND2 3.2Å; P388-N429 WeakPolarHBondContact CG-O 3.36Å; N429-L431 PolarHBondContact OD1-N 2.9Å; N429-A432 WeakPolarHBondContact CB-O 3.15Å; N429-A432 PolarHBondContact OD1-N 3.46Å; N429-Y434 WeakPolarHBondContact CB-O 3.5Å; N429-Y434 PolarHBondContact N-O 3.26Å
430R88.2Confident95.2Very high205 Ų20533.9 Ų33.977%0.77417%0.172SC*.SBendtrans-83.6-17.5-178.4-59.6-173.9-177.5-164.20.9113.8P388 V428P388-R430 HydrophobicContact CG-CB 4.41Å; P388-R430 HydrophobicContact CG-CG 4.3Å; V428-R430 PolarHBondContact O-N 2.74Å
431L86.7Confident95.3Very high99 Ų9931.6 Ų31.652%0.51815%0.153SC..SBendtrans-112-17.5-174.1-59.7-176.7000113.4P132 N429P132-L431 WeakPolarHBondContact O-CD1 3.25Å; N429-L431 PolarHBondContact OD1-N 2.9Å
432A87.4Confident95.3Very high21 Ų2132.1 Ų32.117%0.17416%0.156CC..SBendtrans-138.5151.5-177.800000110.1Y151 N429 Y434Y151-A432 HydrophobicContact CE2-CB 4.46Å; N429-A432 WeakPolarHBondContact CB-O 3.15Å; N429-A432 PolarHBondContact OD1-N 3.46Å; A432-Y434 HydrophobicContact CB-CD2 3.73Å; A432-Y434 HydrophobicContact CB-CE2 4.22Å; A432-Y434 PolarHBondContact O-N 3.26Å
433P90Very high95.3Very high27 Ų2730.1 Ų30.118%0.17515%0.149CC..SBendtrans-80.164.3-178.333-33.7000110.6A108 C449 R450A108-P433 HydrophobicContact CB-CB 4.33Å; P433-C449 HydrophobicContact CB-CB 3.96Å; P433-C449 VanDerWaalsContact O-CB 3.28Å; P433-C449 WeakPolarHBondContact O-CB 2.98Å; P433-C449 PolarHBondContact O-N 3.25Å; P433-R450 HydrophobicContact CB-CG 3.85Å; P433-R450 HydrophobicContact CG-CG 3.5Å; P433-R450 VanDerWaalsContact CG-NE 3.26Å
434Y93.7Very high95.3Very high28 Ų2830.2 Ų30.211%0.1115%0.149CC..EExtended strand (participates in β ladder)trans-131144.1176.3-65.8-67.6000110.8K115 Y151 N429 A432 I446 W447K115-Y434 HydrophobicContact CD-CE1 3.87Å; K115-Y434 PolarHBondContact NZ-OH 2.88Å; Y151-Y434 AromaticContact CD2-CD2 3.63Å; Y151-Y434 HydrophobicContact CD2-CD2 3.63Å; Y151-Y434 AromaticContact CD2-CE2 3.91Å; Y151-Y434 HydrophobicContact CD2-CE2 3.91Å; Y151-Y434 HydrophobicContact CD2-CG 4.24Å; Y151-Y434 AromaticContact CE2-CD2 3.59Å; Y151-Y434 HydrophobicContact CE2-CD2 3.59Å; Y151-Y434 AromaticContact CE2-CE2 3.83Å; Y151-Y434 HydrophobicContact CE2-CE2 3.83Å; N429-Y434 WeakPolarHBondContact CB-O 3.5Å; N429-Y434 PolarHBondContact N-O 3.26Å; A432-Y434 HydrophobicContact CB-CD2 3.73Å; A432-Y434 HydrophobicContact CB-CE2 4.22Å; A432-Y434 PolarHBondContact O-N 3.26Å; Y434-I446 HydrophobicContact CD1-CG2 4.23Å; Y434-W447 VanDerWaalsContact CA-O 3.32Å; Y434-W447 WeakPolarHBondContact CA-O 3.28Å
435A96.4Very high95.3Very high0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-122.6154.7165.900000109.9P110 D427 V428 W447P110-A435 HydrophobicContact CG-CB 3.64Å; D427-A435 CarbonylContact O-C 3.53Å; D427-A435 WeakPolarHBondContact O-CA 3.37Å; V428-A435 HydrophobicContact CG2-CB 4.26Å; A435-W447 HydrophobicContact CB-CB 4.3Å; A435-W447 PolarHBondContact N-O 3.15Å; A435-W447 PolarHBondContact O-N 2.88Å
436I97.6Very high95.3Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-128.6142.6176.253.9-175.9000110.6V128 F130 F137 L426 D427 H445 I446V128-I436 HydrophobicContact CB-CD1 3.91Å; V128-I436 HydrophobicContact CB-CG1 4.11Å; V128-I436 HydrophobicContact CG2-CB 4.38Å; V128-I436 HydrophobicContact CG2-CD1 4.19Å; V128-I436 HydrophobicContact CG2-CG1 3.84Å; F130-I436 HydrophobicContact CD1-CD1 4.2Å; F130-I436 HydrophobicContact CD2-CD1 3.77Å; F130-I436 HydrophobicContact CD2-CG1 3.93Å; F130-I436 HydrophobicContact CE1-CD1 4.17Å; F130-I436 HydrophobicContact CE1-CG2 3.99Å; F130-I436 HydrophobicContact CE2-CB 4.2Å; F130-I436 HydrophobicContact CE2-CD1 3.76Å; F130-I436 HydrophobicContact CE2-CG1 3.5Å; F130-I436 HydrophobicContact CE2-CG2 4.06Å; F130-I436 HydrophobicContact CG-CD1 4.01Å; F130-I436 HydrophobicContact CZ-CB 4.14Å; F130-I436 HydrophobicContact CZ-CD1 3.98Å; F130-I436 HydrophobicContact CZ-CG1 3.86Å; F130-I436 HydrophobicContact CZ-CG2 3.49Å; F130-I436 VanDerWaalsContact CZ-CG2 3.49Å; F137-I436 HydrophobicContact CB-CD1 3.65Å; F137-I436 HydrophobicContact CD1-CG2 4.45Å; F137-I436 HydrophobicContact CD2-CD1 3.52Å; F137-I436 HydrophobicContact CE1-CG2 4.37Å; F137-I436 HydrophobicContact CE2-CD1 4.26Å; F137-I436 HydrophobicContact CG-CD1 3.65Å; F137-I436 HydrophobicContact CG-CG2 4.5Å; F137-I436 HydrophobicContact CZ-CG2 4.38Å; L426-I436 WeakPolarHBondContact CA-O 3.46Å; D427-I436 HydrophobicContact CB-CD1 4.28Å; D427-I436 HydrophobicContact CB-CG1 3.92Å; D427-I436 PolarHBondContact N-O 3.48Å; D427-I436 PolarHBondContact O-N 2.84Å; I436-H445 VanDerWaalsContact CA-O 3.29Å; I436-H445 WeakPolarHBondContact CA-O 3.44Å; I436-I446 HydrophobicContact CG2-CB 4.43Å; I436-I446 HydrophobicContact CG2-CG1 3.94Å; I436-I446 HydrophobicContact CG2-CG2 4.44Å
437T98.2Very high95.2Very high0 Ų030.4 Ų30.40%015%0.148CC..EExtended strand (participates in β ladder)trans-130.6146.8171.950.90000112.3I402 H419 V423 S425 L426 I444 H445 W447I402-T437 HydrophobicContact CD1-CG2 3.24Å; I402-T437 HydrophobicContact CG1-CG2 3.77Å; H419-T437 WeakPolarHBondContact NE2-CB 3.35Å; H419-T437 PolarHBondContact NE2-OG1 2.74Å; V423-T437 HydrophobicContact CG1-CG2 4.03Å; S425-T437 VanDerWaalsContact O-CA 3.3Å; S425-T437 WeakPolarHBondContact O-CA 3.25Å; L426-T437 HydrophobicContact CB-CG2 4.09Å; L426-T437 HydrophobicContact CD1-CG2 3.5Å; L426-T437 VanDerWaalsContact CD1-CG2 3.5Å; L426-T437 HydrophobicContact CG-CG2 4.39Å; T437-I444 CarbonylContact O-C 3.59Å; T437-I444 VanDerWaalsContact O-CA 3.22Å; T437-I444 WeakPolarHBondContact O-CA 3.31Å; T437-I444 WeakPolarHBondContact O-CG2 3.24Å; T437-H445 PolarHBondContact N-O 3.28Å; T437-H445 PolarHBondContact O-N 2.99Å; T437-W447 PolarHBondContact OG1-NE1 2.94Å
438G98Very high95Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-116.1153.3171.200000110.8T424 S425T424-G438 PolarHBondContact N-O 3.49Å; T424-G438 PolarHBondContact OG1-O 3.46Å; T424-G438 VanDerWaalsContact OG1-O 3.13Å; S425-G438 PolarHBondContact N-O 3.2Å; S425-G438 PolarHBondContact O-N 2.78Å
439S98.2Very high94.6Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-140.8163.5-178-179.90000113.2I125 H419 H421 F422 D441 Q442 T443I125-S439 PolarHBondContact N-O 3.13Å; I125-S439 VanDerWaalsContact N-O 3.11Å; H419-S439 VanDerWaalsContact ND1-CB 3.34Å; H419-S439 WeakPolarHBondContact ND1-CB 3.48Å; H421-S439 PolarHBondContact O-OG 2.67Å; F422-S439 VanDerWaalsContact O-CA 3.31Å; F422-S439 WeakPolarHBondContact O-CA 3.24Å; F422-S439 VanDerWaalsContact O-CB 3.31Å; F422-S439 WeakPolarHBondContact O-CB 3.4Å; F422-S439 PolarHBondContact O-OG 2.9Å; S439-D441 VanDerWaalsContact CB-OD1 3.25Å; S439-D441 WeakPolarHBondContact CB-OD1 3.43Å; S439-D441 PolarHBondContact O-N 2.82Å; S439-D441 PolarHBondContact OG-N 3.26Å; S439-D441 PolarHBondContact OG-OD1 3.15Å; S439-Q442 PolarHBondContact O-N 2.91Å; S439-T443 PolarHBondContact N-O 3.33Å
440V97.9Very high93.9Very high44 Ų4439.1 Ų39.127%0.26718%0.182SC..THydrogen-bonded Turntrans-61.2-24.1168.9177.60000112.3P124 H421 F422 T424 Q442P124-V440 HydrophobicContact CB-CB 4.49Å; P124-V440 HydrophobicContact CB-CG1 4.44Å; P124-V440 HydrophobicContact CG-CG1 4.01Å; H421-V440 HydrophobicContact CB-CB 4.38Å; H421-V440 WeakPolarHBondContact ND1-CB 3.47Å; F422-V440 HydrophobicContact CB-CG2 3.92Å; F422-V440 HydrophobicContact CD2-CG2 4.45Å; F422-V440 PolarHBondContact O-N 3.47Å; T424-V440 HydrophobicContact CG2-CG2 3.6Å; V440-Q442 PolarHBondContact O-N 3.32Å; V440-Q442 VanDerWaalsContact O-N 3.08Å
441D97.4Very high94.2Very high38 Ų3830.9 Ų30.920%0.20315%0.152CC..THydrogen-bonded Turntrans-72.98174.869.314.3000114.3H419 S420 H421 S439 T443H419-D441 IonicContact ND1-OD1 3.89Å; H419-D441 IonicContact ND1-OD2 2.73Å; S420-D441 PolarHBondContact N-OD2 2.74Å; S420-D441 PolarHBondContact OG-OD2 3.25Å; H421-D441 HydrophobicContact CB-CB 3.9Å; S439-D441 VanDerWaalsContact CB-OD1 3.25Å; S439-D441 WeakPolarHBondContact CB-OD1 3.43Å; S439-D441 PolarHBondContact O-N 2.82Å; S439-D441 PolarHBondContact OG-N 3.26Å; S439-D441 PolarHBondContact OG-OD1 3.15Å; D441-T443 PolarHBondContact O-N 3.48Å; D441-T443 WeakPolarHBondContact OD1-CB 3.06Å; D441-T443 PolarHBondContact OD1-N 2.81Å; D441-T443 PolarHBondContact OD1-OG1 3.43Å
442Q97.7Very high94.6Very high82 Ų8227.3 Ų27.338%0.38313%0.133SC..SBendtrans6911.3176.1-41.6174.77.800113.4I125 S439 V440I125-Q442 VanDerWaalsContact CD1-C 3.42Å; S439-Q442 PolarHBondContact O-N 2.91Å; V440-Q442 PolarHBondContact O-N 3.32Å; V440-Q442 VanDerWaalsContact O-N 3.08Å
443T98Very high95Very high21 Ų2127.6 Ų27.613%0.12913%0.131CC..  trans-104.5145.7177.674.30000112.3T117 L118 T119 I125 H419 S439 D441T117-T443 HydrophobicContact CG2-CG2 4.4Å; L118-T443 WeakPolarHBondContact O-CA 3.45Å; T119-T443 HydrophobicContact CG2-CG2 4.19Å; I125-T443 WeakPolarHBondContact CD1-O 3.3Å; H419-T443 PolarHBondContact CE1-O 3.33Å; H419-T443 VanDerWaalsContact CE1-O 3.24Å; H419-T443 PolarHBondContact CE1-OG1 2.86Å; H419-T443 PolarHBondContact ND1-OG1 2.99Å; S439-T443 PolarHBondContact N-O 3.33Å; D441-T443 PolarHBondContact O-N 3.48Å; D441-T443 WeakPolarHBondContact OD1-CB 3.06Å; D441-T443 PolarHBondContact OD1-N 2.81Å; D441-T443 PolarHBondContact OD1-OG1 3.43Å
444I98.2Very high95.3Very high1 Ų127.6 Ų27.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-108.9134.8169.5-56.5162.5000107.3T117 L118 I125 V128 F137 S139 W149 T437T117-I444 CarbonylContact C-O 3.58Å; T117-I444 WeakPolarHBondContact CA-O 3.43Å; L118-I444 HydrophobicContact CB-CB 4.2Å; L118-I444 PolarHBondContact N-O 2.86Å; L118-I444 PolarHBondContact O-N 3.26Å; I125-I444 HydrophobicContact CD1-CD1 4.4Å; I125-I444 HydrophobicContact CD1-CG1 3.47Å; I125-I444 VanDerWaalsContact CD1-CG1 3.47Å; I125-I444 HydrophobicContact CG1-CG1 4.2Å; V128-I444 HydrophobicContact CG1-CG1 4.42Å; V128-I444 HydrophobicContact CG1-CG2 4.36Å; F137-I444 HydrophobicContact CE2-CD1 4.24Å; F137-I444 HydrophobicContact CE2-CG2 3.81Å; F137-I444 HydrophobicContact CZ-CG2 3.91Å; S139-I444 WeakPolarHBondContact OG-CD1 3.28Å; W149-I444 HydrophobicContact CZ2-CD1 4.13Å; T437-I444 CarbonylContact O-C 3.59Å; T437-I444 VanDerWaalsContact O-CA 3.22Å; T437-I444 WeakPolarHBondContact O-CA 3.31Å; T437-I444 WeakPolarHBondContact O-CG2 3.24Å
445H98Very high95.4Very high26 Ų2627.6 Ų27.612%0.1213%0.129CC..EExtended strand (participates in β ladder)trans-111130.8172.3-72.97.6000110.1A114 F116 T117 A418 H419 I436 T437 W447A114-H445 HydrophobicContact CB-CB 3.86Å; F116-H445 WeakPolarHBondContact O-CA 3.34Å; T117-H445 VanDerWaalsContact CG2-CE1 3.4Å; T117-H445 WeakPolarHBondContact CG2-CE1 3.41Å; T117-H445 PolarHBondContact OG1-CE1 3.46Å; T117-H445 VanDerWaalsContact OG1-CE1 3.25Å; T117-H445 PolarHBondContact OG1-ND1 2.97Å; A418-H445 PolarHBondContact O-CD2 3.12Å; A418-H445 PolarHBondContact O-NE2 3.21Å; H419-H445 AromaticContact CE1-CD2 3.89Å; H419-H445 AromaticContact CE1-CE1 3.94Å; H419-H445 AromaticContact CE1-CG 3.55Å; H419-H445 AromaticContact CE1-ND1 3.62Å; H419-H445 AromaticContact ND1-CE1 3.91Å; H419-H445 AromaticContact ND1-NE2 3.94Å; H419-H445 AromaticContact NE2-CG 3.97Å; I436-H445 VanDerWaalsContact CA-O 3.29Å; I436-H445 WeakPolarHBondContact CA-O 3.44Å; T437-H445 PolarHBondContact N-O 3.28Å; T437-H445 PolarHBondContact O-N 2.99Å; H445-W447 HydrophobicContact CB-CZ2 3.78Å; H445-W447 AromaticContact CD2-CZ2 3.71Å
446I97Very high95.4Very high0 Ų029.5 Ų29.50%014%0.138CC..EExtended strand (participates in β ladder)trans-99.9123169.4-56.5171.2000107.1A114 K115 F116 L118 F137 Y434 I436A114-I446 CarbonylContact C-O 3.52Å; K115-I446 WeakPolarHBondContact CB-O 3.3Å; K115-I446 PolarHBondContact N-O 2.78Å; F116-I446 HydrophobicContact CB-CB 4.26Å; F116-I446 HydrophobicContact CB-CD1 4.04Å; F116-I446 HydrophobicContact CB-CG1 4.39Å; F116-I446 HydrophobicContact CD2-CB 4.33Å; F116-I446 HydrophobicContact CD2-CD1 3.8Å; F116-I446 HydrophobicContact CG-CD1 4.38Å; F116-I446 PolarHBondContact N-O 2.77Å; F116-I446 PolarHBondContact O-N 3.47Å; L118-I446 HydrophobicContact CD1-CD1 3.98Å; L118-I446 HydrophobicContact CG-CD1 4.33Å; F137-I446 HydrophobicContact CE1-CD1 3.83Å; F137-I446 HydrophobicContact CE1-CG1 4.19Å; F137-I446 HydrophobicContact CZ-CD1 4.24Å; F137-I446 HydrophobicContact CZ-CG1 4.31Å; Y434-I446 HydrophobicContact CD1-CG2 4.23Å; I436-I446 HydrophobicContact CG2-CB 4.43Å; I436-I446 HydrophobicContact CG2-CG1 3.94Å; I436-I446 HydrophobicContact CG2-CG2 4.44Å
447W95.7Very high95.2Very high6 Ų631.6 Ų31.62%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-106.9130.3-178-53.688.5000109.9P110 A114 I402 A418 Y434 A435 T437 H445P110-W447 HydrophobicContact CB-CB 3.7Å; P110-W447 HydrophobicContact CB-CD2 4.36Å; P110-W447 HydrophobicContact CB-CG 4Å; P110-W447 HydrophobicContact CG-CB 4.38Å; A114-W447 HydrophobicContact CB-CD2 4.38Å; A114-W447 HydrophobicContact CB-CE3 4.18Å; A114-W447 HydrophobicContact CB-CH2 4.28Å; A114-W447 HydrophobicContact CB-CZ2 4.46Å; A114-W447 HydrophobicContact CB-CZ3 4.14Å; I402-W447 HydrophobicContact CD1-CZ2 4.33Å; A418-W447 HydrophobicContact CB-CH2 4.4Å; A418-W447 HydrophobicContact CB-CZ2 3.8Å; A418-W447 WeakPolarHBondContact O-CZ2 3.45Å; Y434-W447 VanDerWaalsContact CA-O 3.32Å; Y434-W447 WeakPolarHBondContact CA-O 3.28Å; A435-W447 HydrophobicContact CB-CB 4.3Å; A435-W447 PolarHBondContact N-O 3.15Å; A435-W447 PolarHBondContact O-N 2.88Å; T437-W447 PolarHBondContact OG1-NE1 2.94Å; H445-W447 HydrophobicContact CB-CZ2 3.78Å; H445-W447 AromaticContact CD2-CZ2 3.71Å
448D92Very high95Very high54 Ų5434 Ų3429%0.28916%0.159SC..EExtended strand (participates in β ladder)trans-77.5135.4165.1-163.2-18.9000108.9R111 R450R111-D448 PolarHBondContact N-O 2.85Å; D448-R450 WeakPolarHBondContact OD1-CB 3.48Å; D448-R450 PolarHBondContact OD1-N 3.09Å
449C87.5Confident94.7Very high2 Ų236.8 Ų36.81%0.01417%0.172CC..  trans-105.4-0.1-179.6-66.80000113.5A108 I109 P433A108-C449 VanDerWaalsContact C-CB 3.44Å; A108-C449 CarbonylContact C-O 3.49Å; A108-C449 WeakPolarHBondContact CA-O 3.26Å; A108-C449 HydrophobicContact CB-CB 3.94Å; A108-C449 WeakPolarHBondContact O-CB 3.47Å; I109-C449 PolarHBondContact N-O 3.5Å; I109-C449 WeakPolarHBondContact O-CA 3.17Å; P433-C449 HydrophobicContact CB-CB 3.96Å; P433-C449 VanDerWaalsContact O-CB 3.28Å; P433-C449 WeakPolarHBondContact O-CB 2.98Å; P433-C449 PolarHBondContact O-N 3.25Å
450R79.2Confident94.4Very high168 Ų16840.2 Ų40.263%0.63419%0.188SC*.  trans-73.20177.3-67.5-179168169.60.5113.1R111 P433 D448R111-R450 WeakPolarHBondContact CD-O 3.22Å; R111-R450 PolarHBondContact NE-O 2.98Å; R111-R450 PolarHBondContact NH2-OXT 3.05Å; P433-R450 HydrophobicContact CB-CG 3.85Å; P433-R450 HydrophobicContact CG-CG 3.5Å; P433-R450 VanDerWaalsContact CG-NE 3.26Å; D448-R450 WeakPolarHBondContact OD1-CB 3.48Å; D448-R450 PolarHBondContact OD1-N 3.09Å

Retrieved 450 of 450 residues in 748.7 ms (Link to these results)

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