A0A5K4F0K4_SCHMA Loading...

Nicastrin

AlphaFold DB , UniProt , Accession A0A5K4F0K4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.4Very low73.4Confident224 Ų22486.1 Ų86.1100%1.10346%0.461SS*.  0-20.80-73-179.7178.200114.1
2N53.2Low73.8Confident118 Ų11892.9 Ų92.963%0.63148%0.476SS*.Hα-helixtrans-67.6-39.1172.1-111.517.5000114S4 Q5 D6N2-S4 VanDerWaalsContact C-N 3.3Å; N2-S4 PolarHBondContact O-N 2.93Å; N2-S4 VanDerWaalsContact O-N 3.1Å; N2-Q5 PolarHBondContact O-N 2.84Å; N2-Q5 VanDerWaalsContact O-N 3.14Å; N2-D6 PolarHBondContact O-N 3.36Å
3G75.1Confident73.8Confident39 Ų3993.5 Ų93.540%0.40249%0.493SS..Hα-helixtrans-59.8-31.2-169.400000115.8I7G3-I7 WeakPolarHBondContact O-CB 3.12Å; G3-I7 VanDerWaalsContact O-CD1 3.29Å; G3-I7 WeakPolarHBondContact O-CD1 3.2Å; G3-I7 WeakPolarHBondContact O-CG1 3.45Å; G3-I7 PolarHBondContact O-N 3.32Å
4S76.5Confident73.4Confident24 Ų2493.1 Ų93.117%0.16849%0.491CS..Hα-helixtrans-70.6-36179.748.70000113.1N2 I8 N30N2-S4 VanDerWaalsContact C-N 3.3Å; N2-S4 PolarHBondContact O-N 2.93Å; N2-S4 VanDerWaalsContact O-N 3.1Å; S4-I8 WeakPolarHBondContact O-CD1 3.43Å; S4-I8 WeakPolarHBondContact O-CG1 3.3Å; S4-I8 PolarHBondContact O-N 3.39Å; S4-N30 WeakPolarHBondContact CB-ND2 3.48Å; S4-N30 PolarHBondContact OG-ND2 3.24Å
5Q79.8Confident72.8Confident133 Ų13393.9 Ų93.962%0.62150%0.496SS*.Hα-helixtrans-70.9-40.6177.3-72-177-20.500110.6N2 I7 I8 Q9N2-Q5 PolarHBondContact O-N 2.84Å; N2-Q5 VanDerWaalsContact O-N 3.14Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; Q5-I7 PolarHBondContact O-N 2.66Å; Q5-I8 PolarHBondContact O-N 2.83Å; Q5-Q9 WeakPolarHBondContact O-CB 3.4Å; Q5-Q9 PolarHBondContact O-N 3.35Å
6D79.6Confident72.8Confident79 Ų7998.6 Ų98.642%0.42252%0.521SS..Hα-helixtrans-60.5-43.1175.8-59.3-28.4000111.3N2 Q9 T10N2-D6 PolarHBondContact O-N 3.36Å; D6-Q9 PolarHBondContact O-N 3.32Å; D6-T10 WeakPolarHBondContact O-CB 3.34Å; D6-T10 PolarHBondContact O-N 3.06Å; D6-T10 PolarHBondContact O-OG1 2.86Å
7I81.4Confident73.2Confident38 Ų3897.5 Ų97.520%0.19552%0.519CS..Hα-helixtrans-61.3-49.3174.5-68.3161.6000110.5G3 Q5 Q9 T10 L11 Q27 L33 F37G3-I7 WeakPolarHBondContact O-CB 3.12Å; G3-I7 VanDerWaalsContact O-CD1 3.29Å; G3-I7 WeakPolarHBondContact O-CD1 3.2Å; G3-I7 WeakPolarHBondContact O-CG1 3.45Å; G3-I7 PolarHBondContact O-N 3.32Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; Q5-I7 PolarHBondContact O-N 2.66Å; I7-Q9 VanDerWaalsContact C-N 3.32Å; I7-Q9 PolarHBondContact O-N 2.64Å; I7-T10 PolarHBondContact O-N 3.41Å; I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.33Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.32Å; I7-L11 PolarHBondContact O-N 3.49Å; I7-Q27 HydrophobicContact CD1-CG 4.44Å; I7-L33 HydrophobicContact CB-CD1 4.41Å; I7-L33 HydrophobicContact CD1-CD2 4.32Å; I7-L33 HydrophobicContact CG2-CD1 4.02Å; I7-F37 HydrophobicContact CG2-CE1 4.24Å; I7-F37 HydrophobicContact CG2-CZ 4.13Å
8I81.4Confident74.1Confident29 Ų2997.1 Ų97.115%0.14952%0.522CS..Hα-helixtrans-59.5-44.6179.8-69.8166.8000110.7S4 Q5 L11 R12 L33 Y36S4-I8 WeakPolarHBondContact O-CD1 3.43Å; S4-I8 WeakPolarHBondContact O-CG1 3.3Å; S4-I8 PolarHBondContact O-N 3.39Å; Q5-I8 PolarHBondContact O-N 2.83Å; I8-L11 PolarHBondContact O-N 3.19Å; I8-R12 WeakPolarHBondContact O-CG 3.38Å; I8-R12 PolarHBondContact O-N 3.42Å; I8-L33 HydrophobicContact CD1-CD1 4.17Å; I8-L33 HydrophobicContact CG1-CD1 3.77Å; I8-Y36 HydrophobicContact CB-CD1 4.39Å; I8-Y36 HydrophobicContact CB-CE1 4.39Å; I8-Y36 HydrophobicContact CD1-CG 4.32Å; I8-Y36 HydrophobicContact CG1-CD1 3.7Å; I8-Y36 HydrophobicContact CG1-CE1 4.17Å; I8-Y36 HydrophobicContact CG1-CG 3.97Å; I8-Y36 HydrophobicContact CG2-CD1 4.27Å; I8-Y36 HydrophobicContact CG2-CD2 4.15Å; I8-Y36 HydrophobicContact CG2-CE1 4.12Å; I8-Y36 HydrophobicContact CG2-CE2 3.98Å; I8-Y36 HydrophobicContact CG2-CG 4.29Å
9Q78.8Confident74.9Confident138 Ų13893.9 Ų93.965%0.64550%0.504SS*.Hα-helixtrans-63.8-43.3179.1-176.3172.8-5.600111.8Q5 D6 I7 L11 R12 S13Q5-Q9 WeakPolarHBondContact O-CB 3.4Å; Q5-Q9 PolarHBondContact O-N 3.35Å; D6-Q9 PolarHBondContact O-N 3.32Å; I7-Q9 VanDerWaalsContact C-N 3.32Å; I7-Q9 PolarHBondContact O-N 2.64Å; Q9-L11 PolarHBondContact O-N 3.11Å; Q9-R12 PolarHBondContact O-N 2.81Å; Q9-S13 PolarHBondContact O-N 2.87Å
10T78.4Confident75.8Confident92 Ų9291.3 Ų91.356%0.56449%0.491SS*.Hα-helixtrans-60.1-46.9176.4-56.30000110.8D6 I7 R12 S13D6-T10 WeakPolarHBondContact O-CB 3.34Å; D6-T10 PolarHBondContact O-N 3.06Å; D6-T10 PolarHBondContact O-OG1 2.86Å; I7-T10 PolarHBondContact O-N 3.41Å; T10-R12 PolarHBondContact O-N 3.22Å; T10-S13 PolarHBondContact O-N 3.45Å; T10-S13 PolarHBondContact O-OG 3.39Å
11L80.9Confident76.6Confident33 Ų3387.6 Ų87.617%0.17347%0.471CS..Hα-helixtrans-67.7-32.5-179.3-67.1178.9000113.3I7 I8 Q9 S13 N14 F19 Y36 F37I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 HydrophobicContact CG2-CG 4.33Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.32Å; I7-L11 PolarHBondContact O-N 3.49Å; I8-L11 PolarHBondContact O-N 3.19Å; Q9-L11 PolarHBondContact O-N 3.11Å; L11-S13 PolarHBondContact O-N 3.31Å; L11-N14 PolarHBondContact O-N 3.42Å; L11-F19 HydrophobicContact CD1-CE2 4.44Å; L11-F19 HydrophobicContact CD2-CD2 4.39Å; L11-F19 HydrophobicContact CD2-CE2 3.57Å; L11-F19 HydrophobicContact CD2-CZ 3.79Å; L11-Y36 HydrophobicContact CB-CE1 4.25Å; L11-Y36 HydrophobicContact CD1-CE1 4.21Å; L11-F37 HydrophobicContact CD1-CD1 4.14Å; L11-F37 HydrophobicContact CD1-CE1 3.43Å; L11-F37 VanDerWaalsContact CD1-CE1 3.43Å; L11-F37 HydrophobicContact CD1-CZ 4.18Å
12R78.2Confident79Confident168 Ų16879.4 Ų79.463%0.63443%0.434SS*.Hα-helixtrans-64.1-30.8174.4-75.4178.1-178.5175.9-0.2112.9I8 Q9 T10 N14 Y36I8-R12 WeakPolarHBondContact O-CG 3.38Å; I8-R12 PolarHBondContact O-N 3.42Å; Q9-R12 PolarHBondContact O-N 2.81Å; T10-R12 PolarHBondContact O-N 3.22Å; R12-N14 VanDerWaalsContact C-N 3.29Å; R12-Y36 HydrophobicContact CG-CE2 4.49Å; R12-Y36 WeakPolarHBondContact CG-OH 3.45Å
13S73.3Confident80.9Confident101 Ų10173.9 Ų73.971%0.70640%0.404SS*.Hα-helixtrans-71.9-25.1179.875.60000112.9Q9 T10 L11Q9-S13 PolarHBondContact O-N 2.87Å; T10-S13 PolarHBondContact O-N 3.45Å; T10-S13 PolarHBondContact O-OG 3.39Å; L11-S13 PolarHBondContact O-N 3.31Å
14N68.5Low81.6Confident87 Ų8774.9 Ų74.947%0.46540%0.4SS..  trans-111.274.6-174.2-164.7-4.4000111.2L11 R12L11-N14 PolarHBondContact O-N 3.42Å; R12-N14 VanDerWaalsContact C-N 3.29Å
15N65.4Low82.2Confident106 Ų10674.2 Ų74.257%0.56740%0.395SS*.  trans-101.26-169.4-154.722.4000114.6N42N15-N42 VanDerWaalsContact C-ND2 3.28Å; N15-N42 PolarHBondContact O-ND2 2.93Å; N15-N42 PolarHBondContact OD1-ND2 2.03Å
16L71.8Confident82.7Confident169 Ų16968.8 Ų68.889%0.88538%0.375SS*.SBendtrans-100.1-25.8-168.1-67.4173.3000114.6
17T80.6Confident83.1Confident79 Ų7968.1 Ų68.149%0.48537%0.369SS..SBendtrans-120.5143.1-176.849.90000111.7F19T17-F19 VanDerWaalsContact O-CD1 3.3Å; T17-F19 WeakPolarHBondContact O-CD1 3.44Å
18P89.4Confident83.7Confident90 Ų9068.1 Ų68.158%0.58437%0.368SS*.  trans-64138.3170.1-18.531.1000111.1N42 K44P18-N42 VanDerWaalsContact CA-O 3.3Å; P18-N42 WeakPolarHBondContact CA-O 3.05Å; P18-K44 HydrophobicContact CB-CD 4.33Å; P18-K44 HydrophobicContact CB-CG 3.53Å
19F88.8Confident84.1Confident38 Ų3868.4 Ų68.417%0.16737%0.369CS..EExtended strand (participates in β ladder)trans-138.7155.1-179.256.3-93.3000112.8L11 T17 V21 N42 I43 K44L11-F19 HydrophobicContact CD1-CE2 4.44Å; L11-F19 HydrophobicContact CD2-CD2 4.39Å; L11-F19 HydrophobicContact CD2-CE2 3.57Å; L11-F19 HydrophobicContact CD2-CZ 3.79Å; T17-F19 VanDerWaalsContact O-CD1 3.3Å; T17-F19 WeakPolarHBondContact O-CD1 3.44Å; F19-V21 HydrophobicContact CD2-CG2 3.62Å; F19-V21 HydrophobicContact CE2-CG2 3.5Å; F19-V21 VanDerWaalsContact CE2-CG2 3.5Å; F19-N42 HydrophobicContact CD1-CB 4.35Å; F19-N42 HydrophobicContact CE1-CB 3.81Å; F19-N42 HydrophobicContact CZ-CB 4.46Å; F19-N42 PolarHBondContact N-O 3.15Å; F19-I43 HydrophobicContact CD2-CG1 4.22Å; F19-I43 HydrophobicContact CE2-CD1 4.22Å; F19-I43 HydrophobicContact CE2-CG1 3.46Å; F19-I43 VanDerWaalsContact CE2-CG1 3.46Å; F19-I43 HydrophobicContact CZ-CG1 3.76Å; F19-I43 WeakPolarHBondContact O-CA 3.31Å; F19-K44 PolarHBondContact O-N 3.47Å
20V92.9Very high84.6Confident41 Ų4164.1 Ų64.125%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-97.2133.6168.7174.20000107.8G45 I47 I136 I138V20-G45 WeakPolarHBondContact CA-O 3.39Å; V20-I47 HydrophobicContact CG1-CD1 4.03Å; V20-I47 HydrophobicContact CG1-CG1 4.11Å; V20-I136 HydrophobicContact CB-CB 4.47Å; V20-I136 HydrophobicContact CG1-CD1 4.48Å; V20-I136 HydrophobicContact CG1-CG2 4.36Å; V20-I136 HydrophobicContact CG2-CB 4.38Å; V20-I138 HydrophobicContact CG1-CD1 4.15Å
21V93Very high85.1Confident14 Ų1462.3 Ų62.39%0.08534%0.34CS..EExtended strand (participates in β ladder)trans-97.3133.7178.6179.80000109.2F19 V23 F37 I43 G45 L46 I47F19-V21 HydrophobicContact CD2-CG2 3.62Å; F19-V21 HydrophobicContact CE2-CG2 3.5Å; F19-V21 VanDerWaalsContact CE2-CG2 3.5Å; V21-V23 HydrophobicContact CG1-CG1 3.87Å; V21-F37 HydrophobicContact CG1-CD2 4.47Å; V21-F37 HydrophobicContact CG1-CE2 3.69Å; V21-F37 HydrophobicContact CG1-CZ 3.8Å; V21-I43 HydrophobicContact CG2-CD1 4.02Å; V21-I43 HydrophobicContact CG2-CG1 3.96Å; V21-I43 HydrophobicContact CG2-CG2 4.05Å; V21-G45 PolarHBondContact N-O 3.01Å; V21-L46 HydrophobicContact CB-CD1 3.95Å; V21-L46 HydrophobicContact CG1-CD1 3.97Å; V21-L46 CarbonylContact O-C 3.57Å; V21-L46 WeakPolarHBondContact O-CA 3.44Å; V21-I47 PolarHBondContact O-N 3.14Å
22V92.7Very high85.4Confident51 Ų5164.1 Ų64.131%0.30936%0.355SS..EExtended strand (participates in β ladder)trans-113.2125.4175.1-176.50000108.5I47 F49 W114 I136V22-I47 WeakPolarHBondContact CA-O 3.49Å; V22-I47 HydrophobicContact CG2-CB 4.32Å; V22-I47 HydrophobicContact CG2-CD1 4.45Å; V22-F49 HydrophobicContact CG1-CD2 3.54Å; V22-F49 HydrophobicContact CG1-CE2 3.45Å; V22-F49 VanDerWaalsContact CG1-CE2 3.45Å; V22-W114 HydrophobicContact CG1-CE3 4.26Å; V22-W114 HydrophobicContact CG1-CZ3 3.69Å; V22-I136 HydrophobicContact CG2-CD1 4.29Å
23V92.4Very high86.1Confident3 Ų356.2 Ų56.22%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-136161.2-178.9-67.20000111.3V21 Q27 F28 F37 L46 I47 V48 F49V21-V23 HydrophobicContact CG1-CG1 3.87Å; V23-Q27 VanDerWaalsContact CA-OE1 3.29Å; V23-Q27 HydrophobicContact CB-CB 3.89Å; V23-Q27 VanDerWaalsContact CB-OE1 3.26Å; V23-Q27 HydrophobicContact CG1-CB 4.15Å; V23-F28 HydrophobicContact CG2-CB 4.36Å; V23-F37 HydrophobicContact CG1-CE2 4.06Å; V23-F37 HydrophobicContact CG1-CZ 4.46Å; V23-L46 HydrophobicContact CG1-CD1 4.39Å; V23-L46 HydrophobicContact CG2-CD1 3.76Å; V23-I47 PolarHBondContact N-O 3.09Å; V23-V48 HydrophobicContact CG2-CB 4.48Å; V23-V48 HydrophobicContact CG2-CG2 4.01Å; V23-V48 CarbonylContact O-C 3.57Å; V23-V48 WeakPolarHBondContact O-CA 3.34Å; V23-F49 PolarHBondContact O-N 3.39Å
24N89.9Confident87Confident59 Ų5951.6 Ų51.632%0.31629%0.292SS..EExtended strand (participates in β ladder)trans-87169.916569.8-5.7000111.7G26 Q27 F28 F49N24-G26 VanDerWaalsContact C-N 3.31Å; N24-G26 PolarHBondContact O-N 3.27Å; N24-Q27 PolarHBondContact O-N 2.92Å; N24-Q27 VanDerWaalsContact OD1-CB 3.23Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.35Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.4Å; N24-Q27 PolarHBondContact OD1-N 3.05Å; N24-Q27 PolarHBondContact OD1-OE1 3.23Å; N24-F28 PolarHBondContact O-N 2.84Å; N24-F49 WeakPolarHBondContact CA-O 3.3Å
25V89.7Confident88.2Confident11 Ų1154.9 Ų54.97%0.06730%0.298CS..Hα-helixtrans-58.8-42.1178.9-175.30000111.8Q27 F28 M29 V48 F49 Y56V25-Q27 VanDerWaalsContact C-N 3.29Å; V25-Q27 PolarHBondContact O-N 2.94Å; V25-F28 WeakPolarHBondContact O-CB 3.46Å; V25-F28 PolarHBondContact O-N 2.9Å; V25-M29 HydrophobicContact CG1-CE 3.41Å; V25-M29 VanDerWaalsContact CG1-CE 3.41Å; V25-M29 HydrophobicContact CG1-CG 4.24Å; V25-M29 HydrophobicContact CG1-SD 3.76Å; V25-M29 WeakPolarHBondContact O-CG 2.98Å; V25-M29 PolarHBondContact O-N 2.81Å; V25-V48 HydrophobicContact CG2-CG1 4.12Å; V25-F49 VanDerWaalsContact CG2-O 3.25Å; V25-F49 WeakPolarHBondContact CG2-O 3.3Å; V25-F49 PolarHBondContact N-O 2.73Å; V25-F49 VanDerWaalsContact N-O 3.1Å; V25-Y56 HydrophobicContact CB-CE1 3.97Å; V25-Y56 HydrophobicContact CG1-CD1 4.14Å; V25-Y56 HydrophobicContact CG1-CE1 3.8Å; V25-Y56 HydrophobicContact CG2-CE1 3.97Å
26G88.9Confident89.4Confident18 Ų1851.5 Ų51.519%0.18628%0.278CS..Hα-helixtrans-57.5-37.2177.400000114.6N24 E54 Y59N24-G26 VanDerWaalsContact C-N 3.31Å; N24-G26 PolarHBondContact O-N 3.27Å; G26-E54 PolarHBondContact N-OE1 3.37Å; G26-Y59 VanDerWaalsContact CA-CZ 3.42Å; G26-Y59 VanDerWaalsContact CA-OH 3.3Å; G26-Y59 WeakPolarHBondContact CA-OH 3.23Å
27Q90Very high90.4Very high66 Ų6643.5 Ų43.531%0.30824%0.236SC..Hα-helixtrans-73.1-37.3173.3-76.3167.2-16.900112I7 V23 N24 V25 M29 N30 L33I7-Q27 HydrophobicContact CD1-CG 4.44Å; V23-Q27 VanDerWaalsContact CA-OE1 3.29Å; V23-Q27 HydrophobicContact CB-CB 3.89Å; V23-Q27 VanDerWaalsContact CB-OE1 3.26Å; V23-Q27 HydrophobicContact CG1-CB 4.15Å; N24-Q27 PolarHBondContact O-N 2.92Å; N24-Q27 VanDerWaalsContact OD1-CB 3.23Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.35Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.4Å; N24-Q27 PolarHBondContact OD1-N 3.05Å; N24-Q27 PolarHBondContact OD1-OE1 3.23Å; V25-Q27 VanDerWaalsContact C-N 3.29Å; V25-Q27 PolarHBondContact O-N 2.94Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 3.42Å; Q27-N30 WeakPolarHBondContact O-CB 3.49Å; Q27-N30 PolarHBondContact O-N 2.9Å; Q27-N30 VanDerWaalsContact O-N 3.16Å; Q27-L33 HydrophobicContact CB-CD2 4.23Å
28F92.1Very high91Very high37 Ų3743.9 Ų43.916%0.16223%0.228CC..Hα-helixtrans-61.8-37.4176.9179.5-105.1000112.6V23 N24 V25 N30 M34 L46 V48 F61 Y94 W99 V103V23-F28 HydrophobicContact CG2-CB 4.36Å; N24-F28 PolarHBondContact O-N 2.84Å; V25-F28 WeakPolarHBondContact O-CB 3.46Å; V25-F28 PolarHBondContact O-N 2.9Å; F28-N30 PolarHBondContact O-N 3.05Å; F28-M34 HydrophobicContact CD2-CG 4.3Å; F28-M34 HydrophobicContact CD2-SD 3.61Å; F28-M34 HydrophobicContact CE2-SD 4.06Å; F28-M34 WeakPolarHBondContact O-CG 3.29Å; F28-L46 HydrophobicContact CD2-CD2 4.07Å; F28-L46 HydrophobicContact CE2-CD2 4.12Å; F28-V48 HydrophobicContact CB-CG1 3.78Å; F28-V48 HydrophobicContact CB-CG2 4.13Å; F28-V48 HydrophobicContact CD1-CG1 4.48Å; F28-V48 HydrophobicContact CD2-CG2 3.46Å; F28-V48 VanDerWaalsContact CD2-CG2 3.46Å; F28-V48 HydrophobicContact CE2-CG2 3.98Å; F28-V48 HydrophobicContact CG-CG1 4.02Å; F28-V48 HydrophobicContact CG-CG2 3.83Å; F28-F61 HydrophobicContact CE1-CZ 4.33Å; F28-Y94 HydrophobicContact CD1-CE2 4.31Å; F28-Y94 AromaticContact CE1-CD2 3.81Å; F28-Y94 HydrophobicContact CE1-CD2 3.81Å; F28-Y94 AromaticContact CE1-CE2 3.85Å; F28-Y94 HydrophobicContact CE1-CE2 3.85Å; F28-Y94 HydrophobicContact CE2-CD2 4.43Å; F28-Y94 HydrophobicContact CE2-CE2 4.18Å; F28-Y94 AromaticContact CZ-CD2 3.68Å; F28-Y94 HydrophobicContact CZ-CD2 3.68Å; F28-Y94 AromaticContact CZ-CE2 3.79Å; F28-Y94 HydrophobicContact CZ-CE2 3.79Å; F28-Y94 WeakPolarHBondContact O-CE2 3.12Å; F28-Y94 PolarHBondContact O-OH 3.41Å; F28-W99 HydrophobicContact CE2-CH2 4.28Å; F28-W99 HydrophobicContact CE2-CZ2 4.39Å; F28-V103 HydrophobicContact CE2-CG1 4.1Å
29M90.1Very high91.1Very high35 Ų3543.8 Ų43.817%0.17223%0.23CC..THydrogen-bonded Turntrans-69-11.8177.5-68.9165163.400113.5V25 Q27 T31 Y56 Y59 F61V25-M29 HydrophobicContact CG1-CE 3.41Å; V25-M29 VanDerWaalsContact CG1-CE 3.41Å; V25-M29 HydrophobicContact CG1-CG 4.24Å; V25-M29 HydrophobicContact CG1-SD 3.76Å; V25-M29 WeakPolarHBondContact O-CG 2.98Å; V25-M29 PolarHBondContact O-N 2.81Å; Q27-M29 VanDerWaalsContact C-N 3.3Å; Q27-M29 PolarHBondContact O-N 3.42Å; M29-T31 PolarHBondContact O-N 2.83Å; M29-T31 VanDerWaalsContact O-N 3.1Å; M29-Y56 HydrophobicContact CE-CD1 4.26Å; M29-Y59 HydrophobicContact CE-CD2 4Å; M29-Y59 HydrophobicContact CE-CG 4.27Å; M29-Y59 WeakPolarHBondContact SD-CB 3.45Å; M29-Y59 HydrophobicContact SD-CD1 3.88Å; M29-Y59 HydrophobicContact SD-CD2 3.25Å; M29-Y59 WeakPolarHBondContact SD-CD2 3.4Å; M29-Y59 HydrophobicContact SD-CE2 4Å; M29-Y59 HydrophobicContact SD-CG 3.16Å; M29-F61 HydrophobicContact CB-CB 4.49Å; M29-F61 HydrophobicContact CB-CD2 4.09Å; M29-F61 HydrophobicContact CB-CG 4.4Å; M29-F61 HydrophobicContact CE-CB 4.1Å; M29-F61 HydrophobicContact CE-CD1 4.17Å; M29-F61 HydrophobicContact CE-CG 4.26Å; M29-F61 HydrophobicContact CG-CB 4Å; M29-F61 HydrophobicContact CG-CD1 4.3Å; M29-F61 HydrophobicContact CG-CD2 3.86Å; M29-F61 HydrophobicContact CG-CE2 4.46Å; M29-F61 HydrophobicContact CG-CG 3.78Å; M29-F61 HydrophobicContact SD-CB 4.27Å
30N89.8Confident91.1Very high48 Ų4843.1 Ų43.126%0.25723%0.229SC..  trans-76.998.3173.9-172.3-31.2000111S4 Q27 F28 S32 L33 M34S4-N30 WeakPolarHBondContact CB-ND2 3.48Å; S4-N30 PolarHBondContact OG-ND2 3.24Å; Q27-N30 WeakPolarHBondContact O-CB 3.49Å; Q27-N30 PolarHBondContact O-N 2.9Å; Q27-N30 VanDerWaalsContact O-N 3.16Å; F28-N30 PolarHBondContact O-N 3.05Å; N30-S32 PolarHBondContact O-N 3.14Å; N30-S32 VanDerWaalsContact O-N 3.16Å; N30-S32 WeakPolarHBondContact OD1-CB 3.4Å; N30-S32 PolarHBondContact OD1-N 3.38Å; N30-S32 VanDerWaalsContact OD1-N 3.09Å; N30-L33 HydrophobicContact CB-CB 3.99Å; N30-L33 WeakPolarHBondContact O-CB 3.37Å; N30-L33 PolarHBondContact O-N 3.01Å; N30-L33 PolarHBondContact OD1-N 2.74Å; N30-M34 PolarHBondContact O-N 2.95Å
31T88.1Confident90.9Very high55 Ų5546.4 Ų46.434%0.33725%0.249SC..Hα-helixtrans-57.5-30.4-179.263.40000114.2M29 R35 T92 Y94M29-T31 PolarHBondContact O-N 2.83Å; M29-T31 VanDerWaalsContact O-N 3.1Å; T31-R35 VanDerWaalsContact O-CB 3.28Å; T31-R35 WeakPolarHBondContact O-CB 3.2Å; T31-R35 PolarHBondContact O-N 3.38Å; T31-T92 HydrophobicContact CG2-CG2 3.95Å; T31-Y94 VanDerWaalsContact CA-OH 3.25Å; T31-Y94 WeakPolarHBondContact CA-OH 3.44Å; T31-Y94 HydrophobicContact CG2-CE1 3.87Å; T31-Y94 PolarHBondContact N-OH 3Å
32S89.1Confident90.8Very high71 Ų7147 Ų4750%0.49725%0.252SS..Hα-helixtrans-72.9-39.4177.4-61.60000111.8N30 Y36N30-S32 PolarHBondContact O-N 3.14Å; N30-S32 VanDerWaalsContact O-N 3.16Å; N30-S32 WeakPolarHBondContact OD1-CB 3.4Å; N30-S32 PolarHBondContact OD1-N 3.38Å; N30-S32 VanDerWaalsContact OD1-N 3.09Å; S32-Y36 PolarHBondContact O-N 3.1Å; S32-Y36 VanDerWaalsContact O-N 3.14Å
33L91.8Very high90.8Very high2 Ų244.8 Ų44.81%0.0124%0.238CC..Hα-helixtrans-67-46176-174.762.9000111.1I7 I8 Q27 N30 R35 Y36 F37I7-L33 HydrophobicContact CB-CD1 4.41Å; I7-L33 HydrophobicContact CD1-CD2 4.32Å; I7-L33 HydrophobicContact CG2-CD1 4.02Å; I8-L33 HydrophobicContact CD1-CD1 4.17Å; I8-L33 HydrophobicContact CG1-CD1 3.77Å; Q27-L33 HydrophobicContact CB-CD2 4.23Å; N30-L33 HydrophobicContact CB-CB 3.99Å; N30-L33 WeakPolarHBondContact O-CB 3.37Å; N30-L33 PolarHBondContact O-N 3.01Å; N30-L33 PolarHBondContact OD1-N 2.74Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.31Å; L33-Y36 WeakPolarHBondContact O-CB 3.44Å; L33-Y36 PolarHBondContact O-N 2.91Å; L33-Y36 VanDerWaalsContact O-N 3.15Å; L33-F37 HydrophobicContact CD1-CD1 4.32Å; L33-F37 HydrophobicContact CD1-CE1 3.52Å; L33-F37 HydrophobicContact CD1-CE2 4.48Å; L33-F37 HydrophobicContact CD1-CZ 3.63Å; L33-F37 HydrophobicContact CD2-CE2 4.26Å; L33-F37 HydrophobicContact CD2-CZ 3.93Å; L33-F37 HydrophobicContact CG-CE1 3.92Å; L33-F37 HydrophobicContact CG-CE2 4Å; L33-F37 HydrophobicContact CG-CZ 3.61Å; L33-F37 PolarHBondContact O-N 2.95Å
34M92.9Very high90.8Very high3 Ų350.1 Ų50.12%0.01526%0.261CS..Hα-helixtrans-64.7-37177.9-68.9-52.910300112.6F28 N30 Y36 F37 R38 L46 Y94 W99F28-M34 HydrophobicContact CD2-CG 4.3Å; F28-M34 HydrophobicContact CD2-SD 3.61Å; F28-M34 HydrophobicContact CE2-SD 4.06Å; F28-M34 WeakPolarHBondContact O-CG 3.29Å; N30-M34 PolarHBondContact O-N 2.95Å; M34-Y36 VanDerWaalsContact C-N 3.31Å; M34-Y36 PolarHBondContact O-N 3.45Å; M34-F37 HydrophobicContact CE-CD2 3.35Å; M34-F37 HydrophobicContact CE-CE2 3.34Å; M34-F37 HydrophobicContact CE-CG 4.38Å; M34-F37 HydrophobicContact CE-CZ 4.34Å; M34-F37 PolarHBondContact O-N 2.86Å; M34-F37 HydrophobicContact SD-CD2 3.96Å; M34-F37 HydrophobicContact SD-CE2 4.47Å; M34-R38 WeakPolarHBondContact O-CG 3.48Å; M34-R38 PolarHBondContact O-N 3.48Å; M34-L46 HydrophobicContact SD-CD2 3.7Å; M34-Y94 HydrophobicContact CB-CE2 4.46Å; M34-Y94 VanDerWaalsContact CB-OH 3.3Å; M34-Y94 WeakPolarHBondContact CB-OH 3.35Å; M34-Y94 HydrophobicContact CG-CE2 3.93Å; M34-Y94 WeakPolarHBondContact CG-OH 3.42Å; M34-W99 HydrophobicContact CB-CH2 4Å; M34-W99 HydrophobicContact CG-CH2 4.17Å; M34-W99 HydrophobicContact SD-CH2 4.09Å; M34-W99 HydrophobicContact SD-CZ3 4.46Å
35R92.4Very high91.1Very high156 Ų15647.3 Ų47.359%0.58925%0.246SC*.Hα-helixtrans-60.2-42.5172.7-173.6-179.6-67.4116.6-1.2111.3T31 L33 R38 S39T31-R35 VanDerWaalsContact O-CB 3.28Å; T31-R35 WeakPolarHBondContact O-CB 3.2Å; T31-R35 PolarHBondContact O-N 3.38Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.31Å; R35-R38 PolarHBondContact O-N 3.11Å; R35-S39 PolarHBondContact O-N 3.38Å; R35-S39 VanDerWaalsContact O-N 3.15Å; R35-S39 PolarHBondContact O-OG 3.18Å
36Y91.6Very high91.4Very high36 Ų3646.8 Ų46.814%0.14124%0.243CC..Hα-helixtrans-62.3-46.6174.9174.4-102.8000111.7I8 L11 R12 S32 L33 M34 R38 S39 T40I8-Y36 HydrophobicContact CB-CD1 4.39Å; I8-Y36 HydrophobicContact CB-CE1 4.39Å; I8-Y36 HydrophobicContact CD1-CG 4.32Å; I8-Y36 HydrophobicContact CG1-CD1 3.7Å; I8-Y36 HydrophobicContact CG1-CE1 4.17Å; I8-Y36 HydrophobicContact CG1-CG 3.97Å; I8-Y36 HydrophobicContact CG2-CD1 4.27Å; I8-Y36 HydrophobicContact CG2-CD2 4.15Å; I8-Y36 HydrophobicContact CG2-CE1 4.12Å; I8-Y36 HydrophobicContact CG2-CE2 3.98Å; I8-Y36 HydrophobicContact CG2-CG 4.29Å; L11-Y36 HydrophobicContact CB-CE1 4.25Å; L11-Y36 HydrophobicContact CD1-CE1 4.21Å; R12-Y36 HydrophobicContact CG-CE2 4.49Å; R12-Y36 WeakPolarHBondContact CG-OH 3.45Å; S32-Y36 PolarHBondContact O-N 3.1Å; S32-Y36 VanDerWaalsContact O-N 3.14Å; L33-Y36 WeakPolarHBondContact O-CB 3.44Å; L33-Y36 PolarHBondContact O-N 2.91Å; L33-Y36 VanDerWaalsContact O-N 3.15Å; M34-Y36 VanDerWaalsContact C-N 3.31Å; M34-Y36 PolarHBondContact O-N 3.45Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.15Å; Y36-S39 PolarHBondContact O-N 3.15Å; Y36-S39 VanDerWaalsContact O-N 3.11Å; Y36-S39 PolarHBondContact O-OG 2.91Å; Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 3.27Å
37F93.1Very high91.7Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-58.5-45.3178.7-68.3-7.4000112.1I7 L11 V21 V23 L33 M34 S39 T40 I43 L46 F101I7-F37 HydrophobicContact CG2-CE1 4.24Å; I7-F37 HydrophobicContact CG2-CZ 4.13Å; L11-F37 HydrophobicContact CD1-CD1 4.14Å; L11-F37 HydrophobicContact CD1-CE1 3.43Å; L11-F37 VanDerWaalsContact CD1-CE1 3.43Å; L11-F37 HydrophobicContact CD1-CZ 4.18Å; V21-F37 HydrophobicContact CG1-CD2 4.47Å; V21-F37 HydrophobicContact CG1-CE2 3.69Å; V21-F37 HydrophobicContact CG1-CZ 3.8Å; V23-F37 HydrophobicContact CG1-CE2 4.06Å; V23-F37 HydrophobicContact CG1-CZ 4.46Å; L33-F37 HydrophobicContact CD1-CD1 4.32Å; L33-F37 HydrophobicContact CD1-CE1 3.52Å; L33-F37 HydrophobicContact CD1-CE2 4.48Å; L33-F37 HydrophobicContact CD1-CZ 3.63Å; L33-F37 HydrophobicContact CD2-CE2 4.26Å; L33-F37 HydrophobicContact CD2-CZ 3.93Å; L33-F37 HydrophobicContact CG-CE1 3.92Å; L33-F37 HydrophobicContact CG-CE2 4Å; L33-F37 HydrophobicContact CG-CZ 3.61Å; L33-F37 PolarHBondContact O-N 2.95Å; M34-F37 HydrophobicContact CE-CD2 3.35Å; M34-F37 HydrophobicContact CE-CE2 3.34Å; M34-F37 HydrophobicContact CE-CG 4.38Å; M34-F37 HydrophobicContact CE-CZ 4.34Å; M34-F37 PolarHBondContact O-N 2.86Å; M34-F37 HydrophobicContact SD-CD2 3.96Å; M34-F37 HydrophobicContact SD-CE2 4.47Å; F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.38Å; F37-T40 PolarHBondContact O-N 3.5Å; F37-T40 VanDerWaalsContact O-N 3.15Å; F37-I43 HydrophobicContact CB-CD1 3.69Å; F37-I43 HydrophobicContact CD1-CD1 3.67Å; F37-I43 HydrophobicContact CG-CD1 3.79Å; F37-L46 HydrophobicContact CD2-CD1 4.09Å; F37-L46 HydrophobicContact CE2-CD1 4.11Å; F37-F101 HydrophobicContact CB-CZ 4.18Å
38R92.6Very high91.9Very high87 Ų8743.2 Ų43.233%0.32822%0.222SC..Hα-helixtrans-62.5-31.7177-71.8176.361.9-145.1-2.3113.8M34 R35 Y36 T40 S98 W99M34-R38 WeakPolarHBondContact O-CG 3.48Å; M34-R38 PolarHBondContact O-N 3.48Å; R35-R38 PolarHBondContact O-N 3.11Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.15Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.43Å; R38-S98 PolarHBondContact NH2-O 3.49Å; R38-W99 HydrophobicContact CG-CD2 4.37Å; R38-W99 HydrophobicContact CG-CE3 3.5Å; R38-W99 HydrophobicContact CG-CH2 4.26Å; R38-W99 HydrophobicContact CG-CZ3 3.44Å; R38-W99 VanDerWaalsContact CG-CZ3 3.44Å
39S90.6Very high91.9Very high89 Ų8942 Ų4262%0.62222%0.217SC*.Hα-helixtrans-78.3-10.6178.868.70000114R35 Y36 F37R35-S39 PolarHBondContact O-N 3.38Å; R35-S39 VanDerWaalsContact O-N 3.15Å; R35-S39 PolarHBondContact O-OG 3.18Å; Y36-S39 PolarHBondContact O-N 3.15Å; Y36-S39 VanDerWaalsContact O-N 3.11Å; Y36-S39 PolarHBondContact O-OG 2.91Å; F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.38Å
40T88.8Confident91.9Very high23 Ų2341.4 Ų41.414%0.14122%0.216CC..  trans-97.9129.4-173.5-55.50000110.8Y36 F37 R38 N42 I43Y36-T40 PolarHBondContact O-N 3.49Å; Y36-T40 PolarHBondContact O-OG1 3.27Å; F37-T40 PolarHBondContact O-N 3.5Å; F37-T40 VanDerWaalsContact O-N 3.15Å; R38-T40 VanDerWaalsContact C-N 3.27Å; R38-T40 PolarHBondContact O-N 3.43Å; T40-N42 HydrophobicContact CG2-CB 4.31Å; T40-I43 HydrophobicContact CG2-CD1 4.36Å; T40-I43 HydrophobicContact CG2-CG1 4.27Å
41T88.7Confident91.5Very high110 Ų11040.8 Ų40.868%0.67521%0.213SC*.SBendtrans-78.9-18.6-177.250.70000114.6K44T41-K44 PolarHBondContact O-NZ 3.49Å
42N90.7Very high90.8Very high27 Ų2745.2 Ų45.214%0.14423%0.23CC..SBendtrans-84.7-18.4-174.1-68.42.4000113.5N15 P18 F19 T40 K44N15-N42 VanDerWaalsContact C-ND2 3.28Å; N15-N42 PolarHBondContact O-ND2 2.93Å; N15-N42 PolarHBondContact OD1-ND2 2.03Å; P18-N42 VanDerWaalsContact CA-O 3.3Å; P18-N42 WeakPolarHBondContact CA-O 3.05Å; F19-N42 HydrophobicContact CD1-CB 4.35Å; F19-N42 HydrophobicContact CE1-CB 3.81Å; F19-N42 HydrophobicContact CZ-CB 4.46Å; F19-N42 PolarHBondContact N-O 3.15Å; T40-N42 HydrophobicContact CG2-CB 4.31Å; N42-K44 PolarHBondContact O-N 3.32Å
43I93.2Very high90.1Very high4 Ų450 Ų502%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-76.2120.3176.8-62.8171.8000108.2F19 V21 F37 T40 F101F19-I43 HydrophobicContact CD2-CG1 4.22Å; F19-I43 HydrophobicContact CE2-CD1 4.22Å; F19-I43 HydrophobicContact CE2-CG1 3.46Å; F19-I43 VanDerWaalsContact CE2-CG1 3.46Å; F19-I43 HydrophobicContact CZ-CG1 3.76Å; F19-I43 WeakPolarHBondContact O-CA 3.31Å; V21-I43 HydrophobicContact CG2-CD1 4.02Å; V21-I43 HydrophobicContact CG2-CG1 3.96Å; V21-I43 HydrophobicContact CG2-CG2 4.05Å; F37-I43 HydrophobicContact CB-CD1 3.69Å; F37-I43 HydrophobicContact CD1-CD1 3.67Å; F37-I43 HydrophobicContact CG-CD1 3.79Å; T40-I43 HydrophobicContact CG2-CD1 4.36Å; T40-I43 HydrophobicContact CG2-CG1 4.27Å; I43-F101 HydrophobicContact CB-CD1 4.15Å; I43-F101 HydrophobicContact CB-CE1 3.92Å; I43-F101 HydrophobicContact CB-CZ 4.5Å; I43-F101 HydrophobicContact CG2-CD1 3.83Å; I43-F101 HydrophobicContact CG2-CD2 4.32Å; I43-F101 HydrophobicContact CG2-CE1 3.61Å; I43-F101 HydrophobicContact CG2-CE2 4.13Å; I43-F101 HydrophobicContact CG2-CG 4.19Å; I43-F101 HydrophobicContact CG2-CZ 3.79Å; I43-F101 VanDerWaalsContact O-CD1 3.31Å; I43-F101 WeakPolarHBondContact O-CD1 3.31Å
44K93.9Very high89.3Confident115 Ų11551.8 Ų51.850%0.525%0.252SS..EExtended strand (participates in β ladder)trans-107.3-4.8-179.1-58.7-52.4-176.4-165.60114.1P18 F19 T41 N42 P102P18-K44 HydrophobicContact CB-CD 4.33Å; P18-K44 HydrophobicContact CB-CG 3.53Å; F19-K44 PolarHBondContact O-N 3.47Å; T41-K44 PolarHBondContact O-NZ 3.49Å; N42-K44 PolarHBondContact O-N 3.32Å; K44-P102 WeakPolarHBondContact O-CD 3.44Å
45G95.4Very high88.6Confident0 Ų055.1 Ų55.10%027%0.27CS..EExtended strand (participates in β ladder)trans-173.8157176.100000111.2V20 V21 P102V20-G45 WeakPolarHBondContact CA-O 3.39Å; V21-G45 PolarHBondContact N-O 3.01Å; G45-P102 WeakPolarHBondContact CA-O 3.31Å
46L95.5Very high88Confident0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans-130.7123.2175.8179.465000109.4V21 V23 F28 M34 F37 V48 W99 F101 P102 V103 V104V21-L46 HydrophobicContact CB-CD1 3.95Å; V21-L46 HydrophobicContact CG1-CD1 3.97Å; V21-L46 CarbonylContact O-C 3.57Å; V21-L46 WeakPolarHBondContact O-CA 3.44Å; V23-L46 HydrophobicContact CG1-CD1 4.39Å; V23-L46 HydrophobicContact CG2-CD1 3.76Å; F28-L46 HydrophobicContact CD2-CD2 4.07Å; F28-L46 HydrophobicContact CE2-CD2 4.12Å; M34-L46 HydrophobicContact SD-CD2 3.7Å; F37-L46 HydrophobicContact CD2-CD1 4.09Å; F37-L46 HydrophobicContact CE2-CD1 4.11Å; L46-V48 HydrophobicContact CD2-CG2 4.41Å; L46-V48 HydrophobicContact CG-CG2 4.21Å; L46-W99 HydrophobicContact CD2-CZ3 4.35Å; L46-F101 HydrophobicContact CB-CD2 4.19Å; L46-F101 HydrophobicContact CB-CE2 3.76Å; L46-F101 HydrophobicContact CD2-CE2 4.42Å; L46-P102 PolarHBondContact N-O 2.99Å; L46-V103 HydrophobicContact CB-CG1 4.29Å; L46-V103 HydrophobicContact CB-CG2 4.18Å; L46-V103 HydrophobicContact CD2-CG1 3.94Å; L46-V103 HydrophobicContact CD2-CG2 4.22Å; L46-V103 HydrophobicContact CG-CG1 4.22Å; L46-V103 CarbonylContact O-C 3.6Å; L46-V103 WeakPolarHBondContact O-CA 3.28Å; L46-V104 PolarHBondContact O-N 2.87Å
47I95.7Very high87.3Confident6 Ų657.1 Ų57.13%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-108.1124.3173.1-60.8173.8000107.9V20 V21 V22 V23 F49 V104 V106 M117 I136 I138V20-I47 HydrophobicContact CG1-CD1 4.03Å; V20-I47 HydrophobicContact CG1-CG1 4.11Å; V21-I47 PolarHBondContact O-N 3.14Å; V22-I47 WeakPolarHBondContact CA-O 3.49Å; V22-I47 HydrophobicContact CG2-CB 4.32Å; V22-I47 HydrophobicContact CG2-CD1 4.45Å; V23-I47 PolarHBondContact N-O 3.09Å; I47-F49 HydrophobicContact CG2-CD2 3.79Å; I47-F49 HydrophobicContact CG2-CE2 3.47Å; I47-F49 VanDerWaalsContact CG2-CE2 3.47Å; I47-F49 HydrophobicContact CG2-CZ 4.24Å; I47-V104 HydrophobicContact CB-CG2 4.23Å; I47-V104 HydrophobicContact CG1-CG2 3.65Å; I47-V104 HydrophobicContact CG2-CG2 4.33Å; I47-V106 HydrophobicContact CG2-CB 4.46Å; I47-V106 HydrophobicContact CG2-CG2 3.76Å; I47-M117 HydrophobicContact CD1-CE 4.19Å; I47-M117 HydrophobicContact CD1-SD 4.49Å; I47-I136 HydrophobicContact CD1-CD1 4Å; I47-I136 HydrophobicContact CD1-CG2 3.72Å; I47-I138 HydrophobicContact CD1-CD1 4.35Å; I47-I138 HydrophobicContact CG1-CD1 3.94Å
48V94.4Very high86.7Confident4 Ų466.6 Ų66.62%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-108117.6176.7-173.40000108V23 V25 F28 L46 V103 V104 L105 V106V23-V48 HydrophobicContact CG2-CB 4.48Å; V23-V48 HydrophobicContact CG2-CG2 4.01Å; V23-V48 CarbonylContact O-C 3.57Å; V23-V48 WeakPolarHBondContact O-CA 3.34Å; V25-V48 HydrophobicContact CG2-CG1 4.12Å; F28-V48 HydrophobicContact CB-CG1 3.78Å; F28-V48 HydrophobicContact CB-CG2 4.13Å; F28-V48 HydrophobicContact CD1-CG1 4.48Å; F28-V48 HydrophobicContact CD2-CG2 3.46Å; F28-V48 VanDerWaalsContact CD2-CG2 3.46Å; F28-V48 HydrophobicContact CE2-CG2 3.98Å; F28-V48 HydrophobicContact CG-CG1 4.02Å; F28-V48 HydrophobicContact CG-CG2 3.83Å; L46-V48 HydrophobicContact CD2-CG2 4.41Å; L46-V48 HydrophobicContact CG-CG2 4.21Å; V48-V103 HydrophobicContact CG2-CG1 4.25Å; V48-V104 PolarHBondContact N-O 3.48Å; V48-L105 HydrophobicContact CB-CD1 4.22Å; V48-L105 HydrophobicContact CG1-CD1 4.12Å; V48-L105 CarbonylContact O-C 3.59Å; V48-L105 WeakPolarHBondContact O-CA 3.34Å; V48-V106 PolarHBondContact O-N 3.16Å
49F92.5Very high86.1Confident11 Ų1166.2 Ų66.25%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-90.9132.4174.1-82.4-92.8000110.8V22 V23 N24 V25 I47 V106 D108 I113 W114 M117V22-F49 HydrophobicContact CG1-CD2 3.54Å; V22-F49 HydrophobicContact CG1-CE2 3.45Å; V22-F49 VanDerWaalsContact CG1-CE2 3.45Å; V23-F49 PolarHBondContact O-N 3.39Å; N24-F49 WeakPolarHBondContact CA-O 3.3Å; V25-F49 VanDerWaalsContact CG2-O 3.25Å; V25-F49 WeakPolarHBondContact CG2-O 3.3Å; V25-F49 PolarHBondContact N-O 2.73Å; V25-F49 VanDerWaalsContact N-O 3.1Å; I47-F49 HydrophobicContact CG2-CD2 3.79Å; I47-F49 HydrophobicContact CG2-CE2 3.47Å; I47-F49 VanDerWaalsContact CG2-CE2 3.47Å; I47-F49 HydrophobicContact CG2-CZ 4.24Å; F49-V106 WeakPolarHBondContact CA-O 3.12Å; F49-V106 HydrophobicContact CD1-CB 4.12Å; F49-V106 HydrophobicContact CD1-CG1 4.05Å; F49-V106 HydrophobicContact CE1-CB 4.05Å; F49-V106 HydrophobicContact CE1-CG1 3.67Å; F49-V106 HydrophobicContact CZ-CB 4.43Å; F49-V106 HydrophobicContact CZ-CG1 4.27Å; F49-D108 HydrophobicContact CD1-CB 4.03Å; F49-D108 HydrophobicContact CE1-CB 4.12Å; F49-I113 HydrophobicContact CE1-CB 4.11Å; F49-I113 HydrophobicContact CE1-CG2 4.01Å; F49-I113 HydrophobicContact CZ-CB 4.49Å; F49-I113 HydrophobicContact CZ-CG2 3.92Å; F49-W114 HydrophobicContact CB-CE3 3.98Å; F49-W114 HydrophobicContact CB-CZ3 4.24Å; F49-W114 HydrophobicContact CD1-CB 4.12Å; F49-W114 HydrophobicContact CD1-CE3 4.04Å; F49-W114 AromaticContact CD2-CE3 3.48Å; F49-W114 HydrophobicContact CD2-CE3 3.48Å; F49-W114 VanDerWaalsContact CD2-CE3 3.48Å; F49-W114 AromaticContact CD2-CZ3 3.76Å; F49-W114 HydrophobicContact CD2-CZ3 3.76Å; F49-W114 HydrophobicContact CE1-CB 3.95Å; F49-W114 HydrophobicContact CE1-CE3 4.39Å; F49-W114 AromaticContact CE2-CE3 3.87Å; F49-W114 HydrophobicContact CE2-CE3 3.87Å; F49-W114 HydrophobicContact CE2-CZ3 4.35Å; F49-W114 AromaticContact CG-CE3 3.56Å; F49-W114 HydrophobicContact CG-CE3 3.56Å; F49-W114 HydrophobicContact CG-CZ3 4.09Å; F49-W114 HydrophobicContact CZ-CB 4.47Å; F49-W114 HydrophobicContact CZ-CE3 4.3Å; F49-M117 HydrophobicContact CE2-SD 3.9Å; F49-M117 HydrophobicContact CZ-CE 4.45Å; F49-M117 HydrophobicContact CZ-SD 3.68Å
50S89.5Confident85.8Confident22 Ų2266.3 Ų66.315%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-118.6127.9173.7167.50000109.1Y56 V106 D108S50-Y56 PolarHBondContact OG-OH 2.9Å; S50-V106 PolarHBondContact N-O 3.01Å; S50-D108 PolarHBondContact O-N 3.01Å
51N82.4Confident85.9Confident35 Ų3567.6 Ų67.619%0.18734%0.335CS..  trans-110.7138.7171.8-173.5-10.1000108.1E53 E54 Y56 N111N51-E53 PolarHBondContact O-N 3.17Å; N51-E53 PolarHBondContact OD1-N 3.06Å; N51-E54 PolarHBondContact O-N 3.02Å; N51-E54 VanDerWaalsContact O-N 3.14Å; N51-Y56 PolarHBondContact O-OH 2.83Å; N51-N111 PolarHBondContact ND2-ND2 3.45Å
52E71.5Confident86Confident149 Ų14963.9 Ų63.970%0.69631%0.313SS*.THydrogen-bonded Turntrans-62-25-179.1-64.9-173.5169.200112.4E54 V109E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 3.44Å; E52-V109 HydrophobicContact CG-CG2 4.28Å; E52-V109 WeakPolarHBondContact OE1-CG2 3.46Å
53E74.8Confident86.1Confident172 Ų17268.5 Ų68.580%0.80433%0.334SS*.THydrogen-bonded Turntrans-77.7-10178.8-60.8-174.1167.500114N51 N55N51-E53 PolarHBondContact O-N 3.17Å; N51-E53 PolarHBondContact OD1-N 3.06Å; E53-N55 PolarHBondContact O-N 2.9Å
54E75.1Confident86.1Confident38 Ų3869.7 Ų69.718%0.17834%0.343CS..SBendtrans-72.2123.7-178.7-166.5168.6-175.300110.7G26 N51 E52 Y56 Y59G26-E54 PolarHBondContact N-OE1 3.37Å; N51-E54 PolarHBondContact O-N 3.02Å; N51-E54 VanDerWaalsContact O-N 3.14Å; E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 3.44Å; E54-Y56 HydrophobicContact CB-CE1 4.14Å; E54-Y56 HydrophobicContact CB-CE2 4.47Å; E54-Y56 HydrophobicContact CG-CE1 4.35Å; E54-Y56 WeakPolarHBondContact O-CD2 3.23Å; E54-Y56 VanDerWaalsContact O-CE2 3.31Å; E54-Y56 WeakPolarHBondContact O-CE2 3.06Å; E54-Y56 PolarHBondContact O-N 3.16Å; E54-Y59 HydrophobicContact CG-CE2 4.21Å; E54-Y59 WeakPolarHBondContact OE1-CE2 3.37Å; E54-Y59 PolarHBondContact OE1-OH 3.06Å
55N79Confident85.9Confident74 Ų7464.9 Ų64.940%0.39632%0.323SS..  trans-75.791177.6-175.4-23.3000110.2E53 D57 R58E53-N55 PolarHBondContact O-N 2.9Å; N55-D57 PolarHBondContact O-N 3.44Å; N55-D57 WeakPolarHBondContact OD1-CB 3.3Å; N55-D57 PolarHBondContact OD1-N 2.97Å; N55-D57 VanDerWaalsContact OD1-N 3.16Å; N55-R58 HydrophobicContact CB-CG 4.37Å; N55-R58 PolarHBondContact O-N 3.47Å
56Y80.2Confident85.7Confident79 Ų7968.7 Ų68.731%0.3134%0.34SS..G310 helixtrans-63.4-25.6-179.5-61.9-67.4000113.8V25 M29 S50 N51 E54 R58 Y59V25-Y56 HydrophobicContact CB-CE1 3.97Å; V25-Y56 HydrophobicContact CG1-CD1 4.14Å; V25-Y56 HydrophobicContact CG1-CE1 3.8Å; V25-Y56 HydrophobicContact CG2-CE1 3.97Å; M29-Y56 HydrophobicContact CE-CD1 4.26Å; S50-Y56 PolarHBondContact OG-OH 2.9Å; N51-Y56 PolarHBondContact O-OH 2.83Å; E54-Y56 HydrophobicContact CB-CE1 4.14Å; E54-Y56 HydrophobicContact CB-CE2 4.47Å; E54-Y56 HydrophobicContact CG-CE1 4.35Å; E54-Y56 WeakPolarHBondContact O-CD2 3.23Å; E54-Y56 VanDerWaalsContact O-CE2 3.31Å; E54-Y56 WeakPolarHBondContact O-CE2 3.06Å; E54-Y56 PolarHBondContact O-N 3.16Å; Y56-R58 PolarHBondContact O-N 3.37Å; Y56-R58 VanDerWaalsContact O-N 3.08Å; Y56-Y59 PolarHBondContact O-N 2.8Å
57D75.5Confident85.4Confident155 Ų15569.8 Ų69.883%0.82935%0.347SS*.G310 helixtrans-63.7-17.9-179.4-60.8-29.7000112.8N55 Y59N55-D57 PolarHBondContact O-N 3.44Å; N55-D57 WeakPolarHBondContact OD1-CB 3.3Å; N55-D57 PolarHBondContact OD1-N 2.97Å; N55-D57 VanDerWaalsContact OD1-N 3.16Å; D57-Y59 PolarHBondContact O-N 2.99Å
58R81.3Confident85.1Confident199 Ų19971.9 Ų71.975%0.75136%0.361SS*.G310 helixtrans-70-17.8174.8-66.4-177.3176.9179.20113.1N55 Y56N55-R58 HydrophobicContact CB-CG 4.37Å; N55-R58 PolarHBondContact O-N 3.47Å; Y56-R58 PolarHBondContact O-N 3.37Å; Y56-R58 VanDerWaalsContact O-N 3.08Å
59Y80.2Confident84.8Confident78 Ų7877 Ų7731%0.30639%0.388SS..SBendtrans-106.3111.5-176.4-51-69.5000109.7G26 M29 E54 Y56 D57 F61G26-Y59 VanDerWaalsContact CA-CZ 3.42Å; G26-Y59 VanDerWaalsContact CA-OH 3.3Å; G26-Y59 WeakPolarHBondContact CA-OH 3.23Å; M29-Y59 HydrophobicContact CE-CD2 4Å; M29-Y59 HydrophobicContact CE-CG 4.27Å; M29-Y59 WeakPolarHBondContact SD-CB 3.45Å; M29-Y59 HydrophobicContact SD-CD1 3.88Å; M29-Y59 HydrophobicContact SD-CD2 3.25Å; M29-Y59 WeakPolarHBondContact SD-CD2 3.4Å; M29-Y59 HydrophobicContact SD-CE2 4Å; M29-Y59 HydrophobicContact SD-CG 3.16Å; E54-Y59 HydrophobicContact CG-CE2 4.21Å; E54-Y59 WeakPolarHBondContact OE1-CE2 3.37Å; E54-Y59 PolarHBondContact OE1-OH 3.06Å; Y56-Y59 PolarHBondContact O-N 2.8Å; D57-Y59 PolarHBondContact O-N 2.99Å; Y59-F61 PolarHBondContact O-N 3.4Å
60A84.5Confident84.5Confident91 Ų9178.1 Ų78.175%0.75240%0.398SS*.  trans-71.383168.100000109.1A90A60-A90 HydrophobicContact CB-CB 4.41Å
61F89.2Confident84.2Confident51 Ų5183.1 Ų83.122%0.22442%0.422CS..  trans-133129.4-176.1-179-93000111.4F28 M29 Y59 E63 T92 Y94F28-F61 HydrophobicContact CE1-CZ 4.33Å; M29-F61 HydrophobicContact CB-CB 4.49Å; M29-F61 HydrophobicContact CB-CD2 4.09Å; M29-F61 HydrophobicContact CB-CG 4.4Å; M29-F61 HydrophobicContact CE-CB 4.1Å; M29-F61 HydrophobicContact CE-CD1 4.17Å; M29-F61 HydrophobicContact CE-CG 4.26Å; M29-F61 HydrophobicContact CG-CB 4Å; M29-F61 HydrophobicContact CG-CD1 4.3Å; M29-F61 HydrophobicContact CG-CD2 3.86Å; M29-F61 HydrophobicContact CG-CE2 4.46Å; M29-F61 HydrophobicContact CG-CG 3.78Å; M29-F61 HydrophobicContact SD-CB 4.27Å; Y59-F61 PolarHBondContact O-N 3.4Å; F61-E63 HydrophobicContact CE1-CB 4.33Å; F61-E63 HydrophobicContact CZ-CB 4.44Å; F61-T92 HydrophobicContact CD2-CG2 3.65Å; F61-T92 HydrophobicContact CE2-CG2 3.82Å; F61-T92 WeakPolarHBondContact CE2-OG1 3.33Å; F61-Y94 HydrophobicContact CE2-CD1 4.44Å; F61-Y94 AromaticContact CE2-CD2 3.72Å; F61-Y94 HydrophobicContact CE2-CD2 3.72Å; F61-Y94 AromaticContact CE2-CE2 3.76Å; F61-Y94 HydrophobicContact CE2-CE2 3.76Å; F61-Y94 HydrophobicContact CE2-CG 4.05Å; F61-Y94 AromaticContact CZ-CD2 3.59Å; F61-Y94 HydrophobicContact CZ-CD2 3.59Å; F61-Y94 HydrophobicContact CZ-CE2 4.04Å; F61-Y94 AromaticContact CZ-CG 3.99Å; F61-Y94 HydrophobicContact CZ-CG 3.99Å
62S91.9Very high84.5Confident32 Ų3291.1 Ų91.122%0.22445%0.451CS..BIsolated β-bridgetrans-137.5132165.3177.30000108.1S64 N88 A90 T92S62-S64 PolarHBondContact O-N 2.65Å; S62-S64 PolarHBondContact OG-N 2.97Å; S62-N88 WeakPolarHBondContact CB-ND2 3.41Å; S62-N88 WeakPolarHBondContact CB-OD1 3.47Å; S62-N88 PolarHBondContact OG-ND2 3.32Å; S62-A90 PolarHBondContact N-O 2.94Å; S62-T92 WeakPolarHBondContact O-CB 3.17Å; S62-T92 PolarHBondContact O-N 3.14Å; S62-T92 PolarHBondContact O-OG1 2.92Å
63E92.2Very high85.1Confident123 Ų12386.1 Ų86.158%0.57543%0.433SS*.SBendtrans-68.9-21.2178.164-173.8-153.400113.1F61 E93 Y94 S95F61-E63 HydrophobicContact CE1-CB 4.33Å; F61-E63 HydrophobicContact CZ-CB 4.44Å; E63-E93 CarbonylContact O-C 3.3Å; E63-E93 VanDerWaalsContact O-C 3.3Å; E63-E93 WeakPolarHBondContact O-CA 3.25Å; E63-E93 PolarHBondContact O-N 3.34Å; E63-Y94 PolarHBondContact O-N 2.69Å; E63-S95 PolarHBondContact O-N 2.84Å; E63-S95 PolarHBondContact O-OG 2.92Å
64S93.1Very high85.7Confident30 Ų3083 Ų8321%0.2144%0.437CS..SBendtrans-73.2172.3179.9-167.10000111.9S62 G91 T92 E93S62-S64 PolarHBondContact O-N 2.65Å; S62-S64 PolarHBondContact OG-N 2.97Å; S64-G91 CarbonylContact O-C 3.44Å; S64-G91 WeakPolarHBondContact O-CA 3.16Å; S64-T92 PolarHBondContact O-N 3.21Å; S64-T92 VanDerWaalsContact O-N 3.15Å; S64-E93 PolarHBondContact O-N 2.83Å
65S91Very high86.1Confident13 Ų1388.4 Ų88.49%0.09146%0.456CS..  trans-76.8163.1175.971.30000110.7C67 P68 N88S65-C67 PolarHBondContact O-N 3.36Å; S65-C67 PolarHBondContact OG-O 3.46Å; S65-C67 VanDerWaalsContact OG-O 3.05Å; S65-P68 WeakPolarHBondContact OG-CA 3.38Å; S65-N88 WeakPolarHBondContact O-CB 3.35Å; S65-N88 PolarHBondContact O-ND2 3.36Å
66K90Very high86.2Confident81 Ų8190 Ų9035%0.35247%0.465SS..SBendtrans-67.7-26.8177-69.1173158.6-136.90113.2Q86 W87 N88 G91K66-Q86 HydrophobicContact CB-CB 4.38Å; K66-Q86 HydrophobicContact CB-CG 4.23Å; K66-Q86 VanDerWaalsContact CD-OE1 3.29Å; K66-W87 PolarHBondContact O-N 2.84Å; K66-N88 VanDerWaalsContact CA-O 3.29Å; K66-N88 WeakPolarHBondContact CA-O 3.46Å; K66-N88 PolarHBondContact O-N 2.64Å; K66-N88 VanDerWaalsContact O-N 3.11Å; K66-G91 WeakPolarHBondContact CE-O 3.35Å; K66-G91 VanDerWaalsContact CG-O 3.31Å; K66-G91 WeakPolarHBondContact CG-O 3.38Å
67C89Confident85.9Confident23 Ų2392 Ų9216%0.15549%0.485CS..SBendtrans-130.982.2177.2-176.10000108.5S65 N69 S70 C81S65-C67 PolarHBondContact O-N 3.36Å; S65-C67 PolarHBondContact OG-O 3.46Å; S65-C67 VanDerWaalsContact OG-O 3.05Å; C67-N69 PolarHBondContact O-N 3.1Å; C67-S70 PolarHBondContact O-N 3.2Å; C67-S70 WeakPolarHBondContact SG-CB 3.44Å; C67-C81 VanDerWaalsContact CA-SG 3.59Å; C67-C81 HydrophobicContact CB-CB 3.65Å; C67-C81 WeakPolarHBondContact CB-SG 3.44Å; C67-C81 WeakPolarHBondContact SG-CB 3.38Å; C67-C81 CovalentContact SG-SG 1.99Å; C67-C81 PolarHBondContact SG-SG 3.18Å
68P89.6Confident85.8Confident49 Ų4990.2 Ų90.232%0.31848%0.48SS..THydrogen-bonded Turntrans-58.8136.4179.8-24.535.2000111.5S65 S70S65-P68 WeakPolarHBondContact OG-CA 3.38Å; P68-S70 PolarHBondContact O-N 2.98Å; P68-S70 VanDerWaalsContact O-N 3.11Å
69N88.7Confident85.4Confident111 Ų11185.3 Ų85.359%0.59447%0.465SS*.THydrogen-bonded Turntrans55.524.6176.9-58.6-43.3000115.7C67 L71 Y72 S73C67-N69 PolarHBondContact O-N 3.1Å; N69-L71 VanDerWaalsContact C-N 3.3Å; N69-L71 PolarHBondContact O-N 3.27Å; N69-Y72 HydrophobicContact CB-CD2 4.47Å; N69-Y72 PolarHBondContact O-N 3.21Å; N69-S73 PolarHBondContact O-N 3.46Å
70S85.8Confident85Confident35 Ų3583.1 Ų83.125%0.24546%0.458CS..G310 helixtrans-46.5-52.6-178.9640000113C67 P68 Y72 S73 Q80C67-S70 PolarHBondContact O-N 3.2Å; C67-S70 WeakPolarHBondContact SG-CB 3.44Å; P68-S70 PolarHBondContact O-N 2.98Å; P68-S70 VanDerWaalsContact O-N 3.11Å; S70-Y72 PolarHBondContact O-N 2.97Å; S70-Y72 VanDerWaalsContact O-N 3.16Å; S70-S73 WeakPolarHBondContact O-CB 3.3Å; S70-S73 PolarHBondContact O-N 3.04Å; S70-S73 VanDerWaalsContact O-N 3.1Å; S70-S73 PolarHBondContact O-OG 3.06Å; S70-Q80 VanDerWaalsContact C-OE1 3.23Å; S70-Q80 WeakPolarHBondContact O-CG 3.45Å; S70-Q80 PolarHBondContact O-NE2 2.8Å; S70-Q80 PolarHBondContact O-OE1 3Å; S70-Q80 VanDerWaalsContact O-OE1 3.12Å
71L84.1Confident84.3Confident128 Ų12880.1 Ų80.167%0.6743%0.431SS*.G310 helixtrans-67-15.4-176.6-60.6178.3000114.3N69N69-L71 VanDerWaalsContact C-N 3.3Å; N69-L71 PolarHBondContact O-N 3.27Å
72Y87.7Confident83Confident202 Ų20282.6 Ų82.679%0.79245%0.447SS*.G310 helixtrans-105.75.2179.3-56.8-70000112.5N69 S70N69-Y72 HydrophobicContact CB-CD2 4.47Å; N69-Y72 PolarHBondContact O-N 3.21Å; S70-Y72 PolarHBondContact O-N 2.97Å; S70-Y72 VanDerWaalsContact O-N 3.16Å
73S84.5Confident81.6Confident45 Ų4589 Ų8932%0.31548%0.478SS..SBendtrans-80.5164.6176.475.20000111.8N69 S70 Y75 Q80N69-S73 PolarHBondContact O-N 3.46Å; S70-S73 WeakPolarHBondContact O-CB 3.3Å; S70-S73 PolarHBondContact O-N 3.04Å; S70-S73 VanDerWaalsContact O-N 3.1Å; S70-S73 PolarHBondContact O-OG 3.06Å; S73-Y75 PolarHBondContact O-N 3.38Å; S73-Y75 PolarHBondContact OG-N 3.1Å; S73-Q80 WeakPolarHBondContact OG-CG 3.15Å
74A87Confident80.3Confident107 Ų10790.8 Ų90.888%0.88449%0.491SS*.SBendtrans-74.6-9.4174.500000113.3
75Y83.7Confident79.2Confident150 Ų15093.7 Ų93.759%0.58851%0.508SS*.SBendtrans-80.6148.8-177.9-59.5-69.3000111.3S73 Q80S73-Y75 PolarHBondContact O-N 3.38Å; S73-Y75 PolarHBondContact OG-N 3.1Å; Y75-Q80 WeakPolarHBondContact O-CG 3.37Å; Y75-Q80 PolarHBondContact O-NE2 3.25Å
76N80.1Confident78.6Confident109 Ų10997 Ų9758%0.58352%0.522SS*.  trans-67.4156.7171.8-76.3-33.7000110.8T78 E79 Q80N76-T78 PolarHBondContact O-N 3.38Å; N76-E79 CarbonylContact O-C 3.56Å; N76-E79 WeakPolarHBondContact O-CA 3.25Å; N76-E79 PolarHBondContact O-N 2.82Å; N76-Q80 VanDerWaalsContact O-CG 3.32Å; N76-Q80 WeakPolarHBondContact O-CG 3.36Å; N76-Q80 PolarHBondContact O-N 2.96Å
77V74Confident78.5Confident119 Ų119103 Ų10372%0.72154%0.542SS*.THydrogen-bonded Turntrans-51.9-29.5-178.3179.50000113
78T73.6Confident78.5Confident118 Ų118103.3 Ų103.372%0.72454%0.542SS*.THydrogen-bonded Turntrans-79.2-20.1177.751.90000114.6N76N76-T78 PolarHBondContact O-N 3.38Å
79E73.4Confident78.5Confident96 Ų96105.5 Ų105.545%0.44956%0.557SS.*THydrogen-bonded Turntrans-107.3-9.7-178-62.9173.8166.900111.9N76 C81 D82N76-E79 CarbonylContact O-C 3.56Å; N76-E79 WeakPolarHBondContact O-CA 3.25Å; N76-E79 PolarHBondContact O-N 2.82Å; E79-C81 PolarHBondContact O-N 2.98Å; E79-D82 PolarHBondContact O-N 2.94Å
80Q71.4Confident78.6Confident32 Ų32101.6 Ų101.615%0.1554%0.539CS..THydrogen-bonded Turntrans-66.8104.4179-80.4173.31900110.6S70 S73 Y75 N76S70-Q80 VanDerWaalsContact C-OE1 3.23Å; S70-Q80 WeakPolarHBondContact O-CG 3.45Å; S70-Q80 PolarHBondContact O-NE2 2.8Å; S70-Q80 PolarHBondContact O-OE1 3Å; S70-Q80 VanDerWaalsContact O-OE1 3.12Å; S73-Q80 WeakPolarHBondContact OG-CG 3.15Å; Y75-Q80 WeakPolarHBondContact O-CG 3.37Å; Y75-Q80 PolarHBondContact O-NE2 3.25Å; N76-Q80 VanDerWaalsContact O-CG 3.32Å; N76-Q80 WeakPolarHBondContact O-CG 3.36Å; N76-Q80 PolarHBondContact O-N 2.96Å
81C69.5Low78.8Confident28 Ų28100.2 Ų100.219%0.18953%0.531CS..THydrogen-bonded Turntrans52.570.4-171.8-60.10000111C67 E79 L83C67-C81 VanDerWaalsContact CA-SG 3.59Å; C67-C81 HydrophobicContact CB-CB 3.65Å; C67-C81 WeakPolarHBondContact CB-SG 3.44Å; C67-C81 WeakPolarHBondContact SG-CB 3.38Å; C67-C81 CovalentContact SG-SG 1.99Å; C67-C81 PolarHBondContact SG-SG 3.18Å; E79-C81 PolarHBondContact O-N 2.98Å; C81-L83 PolarHBondContact O-N 3.04Å
82D63.4Low79.1Confident104 Ų10495.5 Ų95.556%0.55651%0.508SS*.  trans-21.9131.8171.6-92-26.5000111.9E79 D84 T85E79-D82 PolarHBondContact O-N 2.94Å; D82-D84 PolarHBondContact O-N 3.34Å; D82-T85 PolarHBondContact O-N 2.84Å
83L62.2Low79.3Confident166 Ų16690.7 Ų90.787%0.86949%0.492SS*.THydrogen-bonded Turntrans-44.4-24.3-167.9-68.9165.9000115C81C81-L83 PolarHBondContact O-N 3.04Å
84D64.7Low79.7Confident161 Ų16189.3 Ų89.386%0.86148%0.48SS*.THydrogen-bonded Turntrans-97.1-22.1-178.6-61.7-37.2000115.3D82D82-D84 PolarHBondContact O-N 3.34Å
85T69.5Low79.9Confident90 Ų9087.3 Ų87.355%0.55246%0.46SS*.  trans-118.787.3-172.9-32.70000111.9D82 W87D82-T85 PolarHBondContact O-N 2.84Å; T85-W87 PolarHBondContact O-N 3.08Å
86Q79.4Confident80.3Confident83 Ų8386.9 Ų86.939%0.38846%0.458SS..  trans-74.9117.6167.5-68.4172.38.200108.8K66 N88 P89K66-Q86 HydrophobicContact CB-CB 4.38Å; K66-Q86 HydrophobicContact CB-CG 4.23Å; K66-Q86 VanDerWaalsContact CD-OE1 3.29Å; Q86-N88 PolarHBondContact O-N 3.36Å; Q86-P89 WeakPolarHBondContact O-CD 3.46Å
87W86.6Confident80.9Confident208 Ų20883.7 Ų83.779%0.78844%0.441SS*.SBendtrans-57.6-30.5176-72.3110.3000112.8K66 T85K66-W87 PolarHBondContact O-N 2.84Å; T85-W87 PolarHBondContact O-N 3.08Å
88N90.4Very high81.8Confident28 Ų2883 Ų8315%0.1544%0.441CS..  trans-127.479.9176.9-179.619.6000109.9S62 S65 K66 Q86 A90 G91S62-N88 WeakPolarHBondContact CB-ND2 3.41Å; S62-N88 WeakPolarHBondContact CB-OD1 3.47Å; S62-N88 PolarHBondContact OG-ND2 3.32Å; S65-N88 WeakPolarHBondContact O-CB 3.35Å; S65-N88 PolarHBondContact O-ND2 3.36Å; K66-N88 VanDerWaalsContact CA-O 3.29Å; K66-N88 WeakPolarHBondContact CA-O 3.46Å; K66-N88 PolarHBondContact O-N 2.64Å; K66-N88 VanDerWaalsContact O-N 3.11Å; Q86-N88 PolarHBondContact O-N 3.36Å; N88-A90 PolarHBondContact O-N 3.36Å; N88-A90 VanDerWaalsContact O-N 3.13Å; N88-G91 WeakPolarHBondContact ND2-CA 3.38Å; N88-G91 PolarHBondContact O-N 2.98Å; N88-G91 PolarHBondContact OD1-N 3.44Å
89P88.8Confident82.7Confident96 Ų9680.2 Ų80.262%0.62342%0.417SS*.THydrogen-bonded Turntrans-62.6-24.2-176.325.6-33.5000112.8Q86 G91Q86-P89 WeakPolarHBondContact O-CD 3.46Å; P89-G91 VanDerWaalsContact C-N 3.28Å
90A90.4Very high83.6Confident28 Ų2879.9 Ų79.923%0.23142%0.424CS..THydrogen-bonded Turntrans-82.71.5175.200000113.9A60 S62 N88 T92A60-A90 HydrophobicContact CB-CB 4.41Å; S62-A90 PolarHBondContact N-O 2.94Å; N88-A90 PolarHBondContact O-N 3.36Å; N88-A90 VanDerWaalsContact O-N 3.13Å; A90-T92 PolarHBondContact O-N 3.34Å
91G91.1Very high84.7Confident6 Ų679 Ų796%0.06242%0.419CS..BIsolated β-bridgetrans-62123.4-178.500000112.7S64 K66 N88 P89S64-G91 CarbonylContact O-C 3.44Å; S64-G91 WeakPolarHBondContact O-CA 3.16Å; K66-G91 WeakPolarHBondContact CE-O 3.35Å; K66-G91 VanDerWaalsContact CG-O 3.31Å; K66-G91 WeakPolarHBondContact CG-O 3.38Å; N88-G91 WeakPolarHBondContact ND2-CA 3.38Å; N88-G91 PolarHBondContact O-N 2.98Å; N88-G91 PolarHBondContact OD1-N 3.44Å; P89-G91 VanDerWaalsContact C-N 3.28Å
92T90.8Very high85.9Confident30 Ų3079.7 Ų79.718%0.18442%0.423CS..  trans-110.1-9.3-178.862.30000113.7T31 F61 S62 S64 A90 Y94T31-T92 HydrophobicContact CG2-CG2 3.95Å; F61-T92 HydrophobicContact CD2-CG2 3.65Å; F61-T92 HydrophobicContact CE2-CG2 3.82Å; F61-T92 WeakPolarHBondContact CE2-OG1 3.33Å; S62-T92 WeakPolarHBondContact O-CB 3.17Å; S62-T92 PolarHBondContact O-N 3.14Å; S62-T92 PolarHBondContact O-OG1 2.92Å; S64-T92 PolarHBondContact O-N 3.21Å; S64-T92 VanDerWaalsContact O-N 3.15Å; A90-T92 PolarHBondContact O-N 3.34Å; T92-Y94 PolarHBondContact O-N 2.67Å; T92-Y94 WeakPolarHBondContact OG1-CD1 3.17Å
93E91.5Very high87.4Confident100 Ų10076.8 Ų76.847%0.46741%0.409SS..  trans61.118.3-177.6-59.2174.6162.600114.9E63 S64 S95 Y96 I97E63-E93 CarbonylContact O-C 3.3Å; E63-E93 VanDerWaalsContact O-C 3.3Å; E63-E93 WeakPolarHBondContact O-CA 3.25Å; E63-E93 PolarHBondContact O-N 3.34Å; S64-E93 PolarHBondContact O-N 2.83Å; E93-S95 PolarHBondContact O-N 3.15Å; E93-Y96 HydrophobicContact CB-CD2 4.17Å; E93-Y96 HydrophobicContact CG-CD2 4.47Å; E93-Y96 PolarHBondContact O-N 2.91Å; E93-I97 PolarHBondContact O-N 3.35Å
94Y91.9Very high89Confident17 Ų1770.7 Ų70.77%0.06738%0.379CS..G310 helixtrans-56.5-32.2178.5-90.633.5000113.6F28 T31 M34 F61 E63 T92 Y96 I97 W99F28-Y94 HydrophobicContact CD1-CE2 4.31Å; F28-Y94 AromaticContact CE1-CD2 3.81Å; F28-Y94 HydrophobicContact CE1-CD2 3.81Å; F28-Y94 AromaticContact CE1-CE2 3.85Å; F28-Y94 HydrophobicContact CE1-CE2 3.85Å; F28-Y94 HydrophobicContact CE2-CD2 4.43Å; F28-Y94 HydrophobicContact CE2-CE2 4.18Å; F28-Y94 AromaticContact CZ-CD2 3.68Å; F28-Y94 HydrophobicContact CZ-CD2 3.68Å; F28-Y94 AromaticContact CZ-CE2 3.79Å; F28-Y94 HydrophobicContact CZ-CE2 3.79Å; F28-Y94 WeakPolarHBondContact O-CE2 3.12Å; F28-Y94 PolarHBondContact O-OH 3.41Å; T31-Y94 VanDerWaalsContact CA-OH 3.25Å; T31-Y94 WeakPolarHBondContact CA-OH 3.44Å; T31-Y94 HydrophobicContact CG2-CE1 3.87Å; T31-Y94 PolarHBondContact N-OH 3Å; M34-Y94 HydrophobicContact CB-CE2 4.46Å; M34-Y94 VanDerWaalsContact CB-OH 3.3Å; M34-Y94 WeakPolarHBondContact CB-OH 3.35Å; M34-Y94 HydrophobicContact CG-CE2 3.93Å; M34-Y94 WeakPolarHBondContact CG-OH 3.42Å; F61-Y94 HydrophobicContact CE2-CD1 4.44Å; F61-Y94 AromaticContact CE2-CD2 3.72Å; F61-Y94 HydrophobicContact CE2-CD2 3.72Å; F61-Y94 AromaticContact CE2-CE2 3.76Å; F61-Y94 HydrophobicContact CE2-CE2 3.76Å; F61-Y94 HydrophobicContact CE2-CG 4.05Å; F61-Y94 AromaticContact CZ-CD2 3.59Å; F61-Y94 HydrophobicContact CZ-CD2 3.59Å; F61-Y94 HydrophobicContact CZ-CE2 4.04Å; F61-Y94 AromaticContact CZ-CG 3.99Å; F61-Y94 HydrophobicContact CZ-CG 3.99Å; E63-Y94 PolarHBondContact O-N 2.69Å; T92-Y94 PolarHBondContact O-N 2.67Å; T92-Y94 WeakPolarHBondContact OG1-CD1 3.17Å; Y94-Y96 VanDerWaalsContact C-N 3.29Å; Y94-Y96 PolarHBondContact O-N 2.74Å; Y94-I97 HydrophobicContact CD1-CD1 4.26Å; Y94-I97 PolarHBondContact O-N 3.21Å; Y94-W99 HydrophobicContact CD2-CZ2 4.34Å
95S91.6Very high90.4Very high65 Ų6568.6 Ų68.646%0.45537%0.367SS..G310 helixtrans-73.3-18.9178.162.60000113.7E63 E93E63-S95 PolarHBondContact O-N 2.84Å; E63-S95 PolarHBondContact O-OG 2.92Å; E93-S95 PolarHBondContact O-N 3.15Å
96Y92Very high91.6Very high140 Ų14065.8 Ų65.855%0.54935%0.349SS..G310 helixtrans-95.4-3.8179.7-59.3-79.7000113E93 Y94E93-Y96 HydrophobicContact CB-CD2 4.17Å; E93-Y96 HydrophobicContact CG-CD2 4.47Å; E93-Y96 PolarHBondContact O-N 2.91Å; Y94-Y96 VanDerWaalsContact C-N 3.29Å; Y94-Y96 PolarHBondContact O-N 2.74Å
97I92.3Very high92.1Very high43 Ų4366.6 Ų66.622%0.22136%0.36CS..PPolyproline II helixtrans-86.5130.6-176.4-81.7166.3000110.6E93 Y94 W99E93-I97 PolarHBondContact O-N 3.35Å; Y94-I97 HydrophobicContact CD1-CD1 4.26Å; Y94-I97 PolarHBondContact O-N 3.21Å; I97-W99 HydrophobicContact CG2-CD2 4.29Å; I97-W99 HydrophobicContact CG2-CG 4.36Å; I97-W99 HydrophobicContact CG2-CZ2 4.48Å
98S92.7Very high92.1Very high104 Ų10457 Ų5773%0.72732%0.324SS*.PPolyproline II helixtrans-78.7123.2163.9-174.90000110.3R38R38-S98 PolarHBondContact NH2-O 3.49Å
99W92.8Very high91.8Very high59 Ų5959 Ų5922%0.22334%0.338CS..PPolyproline II helixtrans-93.3132.6176.9-67.589.5000110.4F28 M34 R38 L46 Y94 I97 F101 V103F28-W99 HydrophobicContact CE2-CH2 4.28Å; F28-W99 HydrophobicContact CE2-CZ2 4.39Å; M34-W99 HydrophobicContact CB-CH2 4Å; M34-W99 HydrophobicContact CG-CH2 4.17Å; M34-W99 HydrophobicContact SD-CH2 4.09Å; M34-W99 HydrophobicContact SD-CZ3 4.46Å; R38-W99 HydrophobicContact CG-CD2 4.37Å; R38-W99 HydrophobicContact CG-CE3 3.5Å; R38-W99 HydrophobicContact CG-CH2 4.26Å; R38-W99 HydrophobicContact CG-CZ3 3.44Å; R38-W99 VanDerWaalsContact CG-CZ3 3.44Å; L46-W99 HydrophobicContact CD2-CZ3 4.35Å; Y94-W99 HydrophobicContact CD2-CZ2 4.34Å; I97-W99 HydrophobicContact CG2-CD2 4.29Å; I97-W99 HydrophobicContact CG2-CG 4.36Å; I97-W99 HydrophobicContact CG2-CZ2 4.48Å; W99-F101 AromaticContact CE3-CE2 3.88Å; W99-F101 HydrophobicContact CE3-CE2 3.88Å; W99-F101 HydrophobicContact CE3-CZ 4.09Å; W99-F101 HydrophobicContact CZ3-CE2 4.26Å; W99-F101 HydrophobicContact CZ3-CZ 4.31Å; W99-F101 PolarHBondContact O-N 3.01Å; W99-V103 HydrophobicContact CB-CG2 4.25Å; W99-V103 HydrophobicContact CD2-CG2 3.67Å; W99-V103 HydrophobicContact CE3-CG2 3.7Å; W99-V103 HydrophobicContact CG-CG2 3.91Å; W99-V103 HydrophobicContact CZ3-CG2 4.27Å
100P92.7Very high91.6Very high90 Ų9060.6 Ų60.658%0.58434%0.341SS*.SBendtrans-79.3-3.8-179.230.7-32.4000113.8
101F94.3Very high91.4Very high14 Ų1462.2 Ų62.26%0.06135%0.346CS..SBendtrans-145.8158.7-179.847.2-106.6000109.5F37 I43 L46 W99 V103F37-F101 HydrophobicContact CB-CZ 4.18Å; I43-F101 HydrophobicContact CB-CD1 4.15Å; I43-F101 HydrophobicContact CB-CE1 3.92Å; I43-F101 HydrophobicContact CB-CZ 4.5Å; I43-F101 HydrophobicContact CG2-CD1 3.83Å; I43-F101 HydrophobicContact CG2-CD2 4.32Å; I43-F101 HydrophobicContact CG2-CE1 3.61Å; I43-F101 HydrophobicContact CG2-CE2 4.13Å; I43-F101 HydrophobicContact CG2-CG 4.19Å; I43-F101 HydrophobicContact CG2-CZ 3.79Å; I43-F101 VanDerWaalsContact O-CD1 3.31Å; I43-F101 WeakPolarHBondContact O-CD1 3.31Å; L46-F101 HydrophobicContact CB-CD2 4.19Å; L46-F101 HydrophobicContact CB-CE2 3.76Å; L46-F101 HydrophobicContact CD2-CE2 4.42Å; W99-F101 AromaticContact CE3-CE2 3.88Å; W99-F101 HydrophobicContact CE3-CE2 3.88Å; W99-F101 HydrophobicContact CE3-CZ 4.09Å; W99-F101 HydrophobicContact CZ3-CE2 4.26Å; W99-F101 HydrophobicContact CZ3-CZ 4.31Å; W99-F101 PolarHBondContact O-N 3.01Å; F101-V103 HydrophobicContact CD2-CG2 4.22Å; F101-V103 HydrophobicContact CE2-CG2 4.09Å
102P95.6Very high91.4Very high42 Ų4266 Ų6627%0.27337%0.368SS..  trans-64.4138.2176.627.2-36.3000111.8K44 G45 L46 I138 N140K44-P102 WeakPolarHBondContact O-CD 3.44Å; G45-P102 WeakPolarHBondContact CA-O 3.31Å; L46-P102 PolarHBondContact N-O 2.99Å; P102-I138 HydrophobicContact CB-CG2 3.82Å; P102-I138 HydrophobicContact CG-CB 4.08Å; P102-I138 HydrophobicContact CG-CD1 4.45Å; P102-I138 HydrophobicContact CG-CG2 3.91Å; P102-N140 HydrophobicContact CB-CB 4.3Å
103V95.2Very high91.4Very high43 Ų4368.2 Ų68.226%0.26138%0.377SS..EExtended strand (participates in β ladder)trans-117.3125.4172.7-175.30000107.8F28 L46 V48 W99 F101F28-V103 HydrophobicContact CE2-CG1 4.1Å; L46-V103 HydrophobicContact CB-CG1 4.29Å; L46-V103 HydrophobicContact CB-CG2 4.18Å; L46-V103 HydrophobicContact CD2-CG1 3.94Å; L46-V103 HydrophobicContact CD2-CG2 4.22Å; L46-V103 HydrophobicContact CG-CG1 4.22Å; L46-V103 CarbonylContact O-C 3.6Å; L46-V103 WeakPolarHBondContact O-CA 3.28Å; V48-V103 HydrophobicContact CG2-CG1 4.25Å; W99-V103 HydrophobicContact CB-CG2 4.25Å; W99-V103 HydrophobicContact CD2-CG2 3.67Å; W99-V103 HydrophobicContact CE3-CG2 3.7Å; W99-V103 HydrophobicContact CG-CG2 3.91Å; W99-V103 HydrophobicContact CZ3-CG2 4.27Å; F101-V103 HydrophobicContact CD2-CG2 4.22Å; F101-V103 HydrophobicContact CE2-CG2 4.09Å
104V95.6Very high91.4Very high37 Ų3767.8 Ų67.822%0.22437%0.372CS..EExtended strand (participates in β ladder)trans-126.5137.4-179.2-62.40000110.9L46 I47 V48 I138L46-V104 PolarHBondContact O-N 2.87Å; I47-V104 HydrophobicContact CB-CG2 4.23Å; I47-V104 HydrophobicContact CG1-CG2 3.65Å; I47-V104 HydrophobicContact CG2-CG2 4.33Å; V48-V104 PolarHBondContact N-O 3.48Å; V104-I138 HydrophobicContact CG1-CG2 3.69Å; V104-I138 HydrophobicContact CG2-CD1 4.22Å
105L93.9Very high91.3Very high117 Ų11769.9 Ų69.961%0.61339%0.386SS*.EExtended strand (participates in β ladder)trans-94.6130.6171.7179.969.1000108.8V48V48-L105 HydrophobicContact CB-CD1 4.22Å; V48-L105 HydrophobicContact CG1-CD1 4.12Å; V48-L105 CarbonylContact O-C 3.59Å; V48-L105 WeakPolarHBondContact O-CA 3.34Å
106V93.5Very high91.4Very high31 Ų3170.2 Ų70.219%0.18839%0.388CS..EExtended strand (participates in β ladder)trans-118.7114.6175.5-179.70000108.1I47 V48 F49 S50 D108 I113I47-V106 HydrophobicContact CG2-CB 4.46Å; I47-V106 HydrophobicContact CG2-CG2 3.76Å; V48-V106 PolarHBondContact O-N 3.16Å; F49-V106 WeakPolarHBondContact CA-O 3.12Å; F49-V106 HydrophobicContact CD1-CB 4.12Å; F49-V106 HydrophobicContact CD1-CG1 4.05Å; F49-V106 HydrophobicContact CE1-CB 4.05Å; F49-V106 HydrophobicContact CE1-CG1 3.67Å; F49-V106 HydrophobicContact CZ-CB 4.43Å; F49-V106 HydrophobicContact CZ-CG1 4.27Å; S50-V106 PolarHBondContact N-O 3.01Å; V106-D108 HydrophobicContact CG1-CB 4.37Å; V106-I113 HydrophobicContact CG1-CD1 4Å
107T90.8Very high91.4Very high100 Ų10066 Ų6661%0.61338%0.375SS*.EExtended strand (participates in β ladder)trans-89.2104.5171.652.50000108.5
108D86.6Confident91.3Very high7 Ų769.1 Ų69.14%0.03739%0.388CS..  trans-116.678.2-175.4-173.813.8000110.2F49 S50 V106 N110 N111 T112 I113 W114F49-D108 HydrophobicContact CD1-CB 4.03Å; F49-D108 HydrophobicContact CE1-CB 4.12Å; S50-D108 PolarHBondContact O-N 3.01Å; V106-D108 HydrophobicContact CG1-CB 4.37Å; D108-N110 PolarHBondContact O-N 3.27Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N111 VanDerWaalsContact CG-CA 3.43Å; D108-N111 PolarHBondContact O-N 3.09Å; D108-N111 PolarHBondContact OD1-N 3.47Å; D108-N111 WeakPolarHBondContact OD2-CA 3.31Å; D108-T112 VanDerWaalsContact CG-N 3.32Å; D108-T112 PolarHBondContact OD1-N 3.19Å; D108-T112 PolarHBondContact OD1-OG1 3.06Å; D108-T112 PolarHBondContact OD2-N 3.47Å; D108-I113 WeakPolarHBondContact OD2-CA 3.18Å; D108-I113 WeakPolarHBondContact OD2-CB 3.35Å; D108-I113 PolarHBondContact OD2-N 3.24Å; D108-W114 PolarHBondContact OD2-N 3.03Å
109V83.5Confident91.4Very high71 Ų7169.5 Ų69.543%0.4338%0.378SS..THydrogen-bonded Turntrans-52.2-35.6-174.9-177.60000112.4E52E52-V109 HydrophobicContact CG-CG2 4.28Å; E52-V109 WeakPolarHBondContact OE1-CG2 3.46Å
110N85.3Confident91.4Very high129 Ų12968.8 Ų68.869%0.6938%0.382SS*.THydrogen-bonded Turntrans-103.99.4-176.7-66.4-36.1000113.5D108 T112D108-N110 PolarHBondContact O-N 3.27Å; D108-N110 VanDerWaalsContact O-N 3.09Å; N110-T112 HydrophobicContact CB-CG2 3.8Å; N110-T112 PolarHBondContact O-N 3.12Å
111N85.8Confident91.3Very high62 Ų6269.6 Ų69.633%0.33238%0.376SS..SBendtrans51.226-175.2-63.2-57.5000114.4N51 D108 W114 T115N51-N111 PolarHBondContact ND2-ND2 3.45Å; D108-N111 VanDerWaalsContact CG-CA 3.43Å; D108-N111 PolarHBondContact O-N 3.09Å; D108-N111 PolarHBondContact OD1-N 3.47Å; D108-N111 WeakPolarHBondContact OD2-CA 3.31Å; N111-W114 HydrophobicContact CB-CB 4.48Å; N111-T115 VanDerWaalsContact O-CB 3.23Å; N111-T115 WeakPolarHBondContact O-CB 3.25Å; N111-T115 PolarHBondContact O-N 3.27Å; N111-T115 PolarHBondContact O-OG1 3.03Å
112T90.7Very high91.2Very high86 Ų8671.3 Ų71.353%0.52839%0.39SS..Hα-helixtrans-74.3-43.3-174.852.80000111.9D108 N110 S116D108-T112 VanDerWaalsContact CG-N 3.32Å; D108-T112 PolarHBondContact OD1-N 3.19Å; D108-T112 PolarHBondContact OD1-OG1 3.06Å; D108-T112 PolarHBondContact OD2-N 3.47Å; N110-T112 HydrophobicContact CB-CG2 3.8Å; N110-T112 PolarHBondContact O-N 3.12Å; T112-S116 WeakPolarHBondContact O-CB 3.33Å; T112-S116 PolarHBondContact O-N 3.49Å
113I92Very high91Very high75 Ų7576.1 Ų76.139%0.38541%0.411SS..Hα-helixtrans-71.2-44.1178.4-56.4176000108.9F49 V106 D108 T115 S116 M117F49-I113 HydrophobicContact CE1-CB 4.11Å; F49-I113 HydrophobicContact CE1-CG2 4.01Å; F49-I113 HydrophobicContact CZ-CB 4.49Å; F49-I113 HydrophobicContact CZ-CG2 3.92Å; V106-I113 HydrophobicContact CG1-CD1 4Å; D108-I113 WeakPolarHBondContact OD2-CA 3.18Å; D108-I113 WeakPolarHBondContact OD2-CB 3.35Å; D108-I113 PolarHBondContact OD2-N 3.24Å; I113-T115 PolarHBondContact O-N 2.96Å; I113-S116 PolarHBondContact O-N 3.03Å; I113-M117 HydrophobicContact CG2-CE 3.87Å; I113-M117 HydrophobicContact CG2-CG 4.45Å; I113-M117 HydrophobicContact CG2-SD 4.33Å; I113-M117 WeakPolarHBondContact O-CB 3.35Å; I113-M117 WeakPolarHBondContact O-CG 3.33Å; I113-M117 PolarHBondContact O-N 3.34Å
114W89.8Confident90.8Very high92 Ų9276.6 Ų76.635%0.34841%0.411SS..Hα-helixtrans-55.9-50.8175.7174.7-93.9000111.4V22 F49 D108 N111 M117 H118V22-W114 HydrophobicContact CG1-CE3 4.26Å; V22-W114 HydrophobicContact CG1-CZ3 3.69Å; F49-W114 HydrophobicContact CB-CE3 3.98Å; F49-W114 HydrophobicContact CB-CZ3 4.24Å; F49-W114 HydrophobicContact CD1-CB 4.12Å; F49-W114 HydrophobicContact CD1-CE3 4.04Å; F49-W114 AromaticContact CD2-CE3 3.48Å; F49-W114 HydrophobicContact CD2-CE3 3.48Å; F49-W114 VanDerWaalsContact CD2-CE3 3.48Å; F49-W114 AromaticContact CD2-CZ3 3.76Å; F49-W114 HydrophobicContact CD2-CZ3 3.76Å; F49-W114 HydrophobicContact CE1-CB 3.95Å; F49-W114 HydrophobicContact CE1-CE3 4.39Å; F49-W114 AromaticContact CE2-CE3 3.87Å; F49-W114 HydrophobicContact CE2-CE3 3.87Å; F49-W114 HydrophobicContact CE2-CZ3 4.35Å; F49-W114 AromaticContact CG-CE3 3.56Å; F49-W114 HydrophobicContact CG-CE3 3.56Å; F49-W114 HydrophobicContact CG-CZ3 4.09Å; F49-W114 HydrophobicContact CZ-CB 4.47Å; F49-W114 HydrophobicContact CZ-CE3 4.3Å; D108-W114 PolarHBondContact OD2-N 3.03Å; N111-W114 HydrophobicContact CB-CB 4.48Å; W114-M117 PolarHBondContact O-N 3.45Å; W114-H118 WeakPolarHBondContact O-CB 3.43Å; W114-H118 PolarHBondContact O-N 3.36Å
115T91.7Very high90.4Very high61 Ų6177.3 Ų77.337%0.37441%0.414SS..Hα-helixtrans-62.8-46.7-178.7-57.80000111N111 I113 M117 H118 E119N111-T115 VanDerWaalsContact O-CB 3.23Å; N111-T115 WeakPolarHBondContact O-CB 3.25Å; N111-T115 PolarHBondContact O-N 3.27Å; N111-T115 PolarHBondContact O-OG1 3.03Å; I113-T115 PolarHBondContact O-N 2.96Å; T115-M117 PolarHBondContact O-N 3.46Å; T115-H118 PolarHBondContact O-N 3.16Å; T115-E119 HydrophobicContact CG2-CG 4.36Å; T115-E119 WeakPolarHBondContact O-CB 3.37Å; T115-E119 WeakPolarHBondContact O-CG 3.47Å; T115-E119 PolarHBondContact O-N 2.91Å
116S92.5Very high90Very high71 Ų7180.1 Ų80.150%0.49742%0.416SS..Hα-helixtrans-60-43.9177.7-179.70000112.7T112 I113 H118 E119 C120T112-S116 WeakPolarHBondContact O-CB 3.33Å; T112-S116 PolarHBondContact O-N 3.49Å; I113-S116 PolarHBondContact O-N 3.03Å; S116-H118 PolarHBondContact O-N 2.71Å; S116-E119 PolarHBondContact O-N 3.41Å; S116-C120 VanDerWaalsContact O-CB 3.31Å; S116-C120 WeakPolarHBondContact O-CB 3.01Å; S116-C120 PolarHBondContact O-N 3.01Å
117M91.7Very high89.6Confident52 Ų5286 Ų8626%0.25644%0.442SS..Hα-helixtrans-64.1-41.4175.5-74.6-171177.500112I47 F49 I113 W114 T115 C120 F121 I136I47-M117 HydrophobicContact CD1-CE 4.19Å; I47-M117 HydrophobicContact CD1-SD 4.49Å; F49-M117 HydrophobicContact CE2-SD 3.9Å; F49-M117 HydrophobicContact CZ-CE 4.45Å; F49-M117 HydrophobicContact CZ-SD 3.68Å; I113-M117 HydrophobicContact CG2-CE 3.87Å; I113-M117 HydrophobicContact CG2-CG 4.45Å; I113-M117 HydrophobicContact CG2-SD 4.33Å; I113-M117 WeakPolarHBondContact O-CB 3.35Å; I113-M117 WeakPolarHBondContact O-CG 3.33Å; I113-M117 PolarHBondContact O-N 3.34Å; W114-M117 PolarHBondContact O-N 3.45Å; T115-M117 PolarHBondContact O-N 3.46Å; M117-C120 PolarHBondContact O-N 3.37Å; M117-F121 WeakPolarHBondContact O-CB 3.29Å; M117-F121 PolarHBondContact O-N 2.92Å; M117-I136 HydrophobicContact CE-CD1 4.29Å; M117-I136 HydrophobicContact SD-CD1 4.11Å
118H91.4Very high89.1Confident109 Ų10984.1 Ų84.151%0.50543%0.431SS..Hα-helixtrans-66.1-43.4179.1-170.670.8000112.1W114 T115 S116 F121 S122W114-H118 WeakPolarHBondContact O-CB 3.43Å; W114-H118 PolarHBondContact O-N 3.36Å; T115-H118 PolarHBondContact O-N 3.16Å; S116-H118 PolarHBondContact O-N 2.71Å; H118-F121 PolarHBondContact O-N 3.13Å; H118-S122 WeakPolarHBondContact O-CB 3.17Å; H118-S122 PolarHBondContact O-N 3.05Å
119E93.2Very high88.9Confident112 Ų11289 Ų8952%0.52347%0.472SS..Hα-helixtrans-60.1-48.1174.9-74.3176.2175.800111T115 S116 F121 S122 M123T115-E119 HydrophobicContact CG2-CG 4.36Å; T115-E119 WeakPolarHBondContact O-CB 3.37Å; T115-E119 WeakPolarHBondContact O-CG 3.47Å; T115-E119 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact O-N 3.41Å; E119-F121 PolarHBondContact O-N 3.11Å; E119-S122 PolarHBondContact O-N 3.04Å; E119-M123 WeakPolarHBondContact O-CB 3.39Å; E119-M123 WeakPolarHBondContact O-CG 3.37Å; E119-M123 PolarHBondContact O-N 3.03Å
120C93.4Very high89.1Confident43 Ų4389.7 Ų89.729%0.29147%0.474SS..Hα-helixtrans-58.3-45.4177.1-171.30000112.1S116 M117 L124 C134S116-C120 VanDerWaalsContact O-CB 3.31Å; S116-C120 WeakPolarHBondContact O-CB 3.01Å; S116-C120 PolarHBondContact O-N 3.01Å; M117-C120 PolarHBondContact O-N 3.37Å; C120-L124 WeakPolarHBondContact O-CB 3.4Å; C120-L124 PolarHBondContact O-N 3.24Å; C120-C134 HydrophobicContact CB-CB 4.08Å; C120-C134 WeakPolarHBondContact CB-SG 3.29Å; C120-C134 WeakPolarHBondContact SG-CB 3.48Å; C120-C134 CovalentContact SG-SG 2.03Å; C120-C134 PolarHBondContact SG-SG 3.14Å
121F91.6Very high89.1Confident107 Ų10790.8 Ų90.847%0.46948%0.48SS..Hα-helixtrans-63.8-45.9175.4176-94000112.2M117 H118 E119 M123 N125 R126M117-F121 WeakPolarHBondContact O-CB 3.29Å; M117-F121 PolarHBondContact O-N 2.92Å; H118-F121 PolarHBondContact O-N 3.13Å; E119-F121 PolarHBondContact O-N 3.11Å; F121-M123 VanDerWaalsContact C-N 3.3Å; F121-M123 PolarHBondContact O-N 2.9Å; F121-N125 HydrophobicContact CD2-CB 3.56Å; F121-N125 HydrophobicContact CE2-CB 3.75Å; F121-N125 HydrophobicContact CG-CB 4.26Å; F121-N125 WeakPolarHBondContact O-CA 3.44Å; F121-N125 WeakPolarHBondContact O-CB 3.41Å; F121-N125 PolarHBondContact O-N 3.5Å; F121-R126 PolarHBondContact O-N 3.43Å; F121-R126 VanDerWaalsContact O-N 3.11Å
122S91Very high89.3Confident50 Ų5091.2 Ų91.235%0.3548%0.484SS..Hα-helixtrans-64.9-36.1-178.3-171.50000112H118 E119H118-S122 WeakPolarHBondContact O-CB 3.17Å; H118-S122 PolarHBondContact O-N 3.05Å; E119-S122 PolarHBondContact O-N 3.04Å
123M91Very high89.2Confident144 Ų14490.8 Ų90.871%0.70947%0.473SS*.Hα-helixtrans-77.6-40.6-179.6-73.8-179.155.700113.3E119 F121E119-M123 WeakPolarHBondContact O-CB 3.39Å; E119-M123 WeakPolarHBondContact O-CG 3.37Å; E119-M123 PolarHBondContact O-N 3.03Å; F121-M123 VanDerWaalsContact C-N 3.3Å; F121-M123 PolarHBondContact O-N 2.9Å
124L91.5Very high89.2Confident52 Ų5288.2 Ų88.227%0.27246%0.462SS..Hα-helixtrans-112.5-21.8-166.9-60.3176.7000114.6C120 T132 C134C120-L124 WeakPolarHBondContact O-CB 3.4Å; C120-L124 PolarHBondContact O-N 3.24Å; L124-T132 HydrophobicContact CD1-CG2 4.36Å; L124-T132 HydrophobicContact CD2-CG2 4.19Å; L124-C134 HydrophobicContact CB-CB 4.31Å; L124-C134 HydrophobicContact CD1-CB 4.36Å
125N88.4Confident89.2Confident53 Ų5392 Ų9228%0.28348%0.481SS..THydrogen-bonded Turntrans-115.3-23.8-171.6-68.316.1000114F121 R133 C134F121-N125 HydrophobicContact CD2-CB 3.56Å; F121-N125 HydrophobicContact CE2-CB 3.75Å; F121-N125 HydrophobicContact CG-CB 4.26Å; F121-N125 WeakPolarHBondContact O-CA 3.44Å; F121-N125 WeakPolarHBondContact O-CB 3.41Å; F121-N125 PolarHBondContact O-N 3.5Å; N125-R133 WeakPolarHBondContact OD1-CA 3.38Å; N125-C134 PolarHBondContact ND2-O 2.94Å; N125-C134 PolarHBondContact OD1-N 3.44Å
126R84.6Confident89.2Confident175 Ų17591.9 Ų91.966%0.6648%0.478SS*.SBendtrans-68.4-50.8-178.9-174.6179176.5164.40.6112.2F121F121-R126 PolarHBondContact O-N 3.43Å; F121-R126 VanDerWaalsContact O-N 3.11Å
127E84.6Confident89.2Confident155 Ų15596.9 Ų96.972%0.72449%0.493SS*.SBendtrans-140.180.7178.6-73.5175.3-161.700108.1A129E127-A129 PolarHBondContact O-N 2.85Å
128P81.3Confident89.4Confident60 Ų6096.2 Ų96.239%0.3949%0.49SS..  trans-66.6126-173.225.3-32.8000111.6
129A82.3Confident89.5Confident109 Ų10997.4 Ų97.490%0.90150%0.5SS*.SBendtrans-78.4-27.7175.600000112.9E127E127-A129 PolarHBondContact O-N 2.85Å
130D87.4Confident89.3Confident87 Ų8796 Ų9647%0.46550%0.496SS..SBendtrans-140.6-154.6-17865.20.7000110.4T132 R133D130-T132 WeakPolarHBondContact OD1-CA 3.34Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 PolarHBondContact OD1-N 3.49Å; D130-T132 PolarHBondContact OD1-OG1 2.96Å; D130-T132 PolarHBondContact OD2-OG1 3.23Å; D130-R133 VanDerWaalsContact O-CZ 3.25Å; D130-R133 PolarHBondContact O-NH1 3.31Å; D130-R133 PolarHBondContact O-NH2 3.42Å
131D86.1Confident89.3Confident151 Ų15199 Ų9981%0.80752%0.516SS*.SBendtrans-910.8174.5-72.5-29.6000113.8R133D131-R133 PolarHBondContact O-N 3.03Å
132T89.1Confident89.3Confident71 Ų71101.6 Ų101.644%0.43653%0.531SS..  trans-71.9124.5177.9-53.50000109.7L124 D130L124-T132 HydrophobicContact CD1-CG2 4.36Å; L124-T132 HydrophobicContact CD2-CG2 4.19Å; D130-T132 WeakPolarHBondContact OD1-CA 3.34Å; D130-T132 WeakPolarHBondContact OD1-CB 3.46Å; D130-T132 PolarHBondContact OD1-N 3.49Å; D130-T132 PolarHBondContact OD1-OG1 2.96Å; D130-T132 PolarHBondContact OD2-OG1 3.23Å
133R88.6Confident89.3Confident77 Ų77105.2 Ų105.229%0.29156%0.556SS.*  trans-129.1151.4179.1-58.4-70.5175.2-78.7-6.7110.9N125 D130 D131 F135N125-R133 WeakPolarHBondContact OD1-CA 3.38Å; D130-R133 VanDerWaalsContact O-CZ 3.25Å; D130-R133 PolarHBondContact O-NH1 3.31Å; D130-R133 PolarHBondContact O-NH2 3.42Å; D131-R133 PolarHBondContact O-N 3.03Å; R133-F135 HydrophobicContact CB-CD2 4.12Å; R133-F135 HydrophobicContact CB-CE1 4.31Å; R133-F135 HydrophobicContact CB-CE2 3.54Å; R133-F135 HydrophobicContact CB-CZ 3.64Å; R133-F135 HydrophobicContact CG-CE2 4.38Å; R133-F135 HydrophobicContact CG-CZ 4.15Å; R133-F135 WeakPolarHBondContact O-CD2 3.1Å
134C91.5Very high89.4Confident22 Ų22101.3 Ų101.315%0.14955%0.547CS..  trans-75.1122.7164.5-1670000109.3C120 L124 N125C120-C134 HydrophobicContact CB-CB 4.08Å; C120-C134 WeakPolarHBondContact CB-SG 3.29Å; C120-C134 WeakPolarHBondContact SG-CB 3.48Å; C120-C134 CovalentContact SG-SG 2.03Å; C120-C134 PolarHBondContact SG-SG 3.14Å; L124-C134 HydrophobicContact CB-CB 4.31Å; L124-C134 HydrophobicContact CD1-CB 4.36Å; N125-C134 PolarHBondContact ND2-O 2.94Å; N125-C134 PolarHBondContact OD1-N 3.44Å
135F90.6Very high89.4Confident172 Ų172102.8 Ų102.875%0.75456%0.558SS**  trans-121.2153.5178.2-68.5-75.1000111.5R133R133-F135 HydrophobicContact CB-CD2 4.12Å; R133-F135 HydrophobicContact CB-CE1 4.31Å; R133-F135 HydrophobicContact CB-CE2 3.54Å; R133-F135 HydrophobicContact CB-CZ 3.64Å; R133-F135 HydrophobicContact CG-CE2 4.38Å; R133-F135 HydrophobicContact CG-CZ 4.15Å; R133-F135 WeakPolarHBondContact O-CD2 3.1Å
136I92Very high89.5Confident58 Ų58103.8 Ų103.830%0.29758%0.581SS.*  trans-127.3129.6177.7-62.4178000107.8V20 V22 I47 M117 I138V20-I136 HydrophobicContact CB-CB 4.47Å; V20-I136 HydrophobicContact CG1-CD1 4.48Å; V20-I136 HydrophobicContact CG1-CG2 4.36Å; V20-I136 HydrophobicContact CG2-CB 4.38Å; V22-I136 HydrophobicContact CG2-CD1 4.29Å; I47-I136 HydrophobicContact CD1-CD1 4Å; I47-I136 HydrophobicContact CD1-CG2 3.72Å; M117-I136 HydrophobicContact CE-CD1 4.29Å; M117-I136 HydrophobicContact SD-CD1 4.11Å; I136-I138 HydrophobicContact CG2-CG1 4.19Å
137E92.7Very high90Very high176 Ų17698.1 Ų98.182%0.82257%0.568SS**  trans-106.8132.4170.4-173.9-179.3170.700109.5
138I94.4Very high90.5Very high37 Ų3795 Ų9519%0.1956%0.563CS.*  trans-117109.3174.1-56.5175.5000107.7V20 I47 P102 V104 I136 N140V20-I138 HydrophobicContact CG1-CD1 4.15Å; I47-I138 HydrophobicContact CD1-CD1 4.35Å; I47-I138 HydrophobicContact CG1-CD1 3.94Å; P102-I138 HydrophobicContact CB-CG2 3.82Å; P102-I138 HydrophobicContact CG-CB 4.08Å; P102-I138 HydrophobicContact CG-CD1 4.45Å; P102-I138 HydrophobicContact CG-CG2 3.91Å; V104-I138 HydrophobicContact CG1-CG2 3.69Å; V104-I138 HydrophobicContact CG2-CD1 4.22Å; I136-I138 HydrophobicContact CG2-CG1 4.19Å; I138-N140 PolarHBondContact O-N 3.26Å
139N93.9Very high91.2Very high134 Ų13498.8 Ų98.872%0.71758%0.576SS**  trans-94.793.8179-170.111.7000110.4P141N139-P141 WeakPolarHBondContact OD1-CD 3.38Å
140N90.5Very high91.8Very high82 Ų8295 Ų9544%0.43954%0.541SS..  trans-139.265.9176-166.2-41.1000111.6P102 I138P102-N140 HydrophobicContact CB-CB 4.3Å; I138-N140 PolarHBondContact O-N 3.26Å
141P92.5Very high92.1Very high108 Ų10892.8 Ų92.870%0.70153%0.532SS*.  trans-76127.6178.429.9-33.9000110.7N139N139-P141 WeakPolarHBondContact OD1-CD 3.38Å
142M91.5Very high92.4Very high161 Ų16192.2 Ų92.279%0.79352%0.523SS*.  trans-103.4127.9171.3-63.6-175.4-177.100110
143S91.6Very high92.6Very high126 Ų12695.4 Ų95.488%0.88153%0.527SS*.  trans-82.9-24.8-178.357.70000113.7
144A91.9Very high92.8Very high61 Ų6197.6 Ų97.650%0.50454%0.535SS..  trans-81.1135.6177.400000110.8
145V91.2Very high92.7Very high84 Ų84102.3 Ų102.351%0.50956%0.555SS.*  trans-145.4147-179.163.10000111.2
146G91.7Very high92.7Very high74 Ų74101.1 Ų101.176%0.76355%0.547SS*.SBendtrans83-132.7-179.900000111.8
147S94.7Very high92.6Very high56 Ų56103.3 Ų103.339%0.39256%0.558SS.*  trans-97.1162.8178.662.40000112.2E149 T150 C151S147-E149 PolarHBondContact O-N 3.37Å; S147-T150 WeakPolarHBondContact O-CB 3.49Å; S147-T150 PolarHBondContact O-N 2.9Å; S147-T150 PolarHBondContact OG-N 3.45Å; S147-T150 PolarHBondContact OG-OG1 3Å; S147-T150 VanDerWaalsContact OG-OG1 3.12Å; S147-C151 PolarHBondContact O-N 3.37Å
148S94.9Very high92.3Very high90 Ų90102.3 Ų102.363%0.62956%0.555SS**Hα-helixtrans-53.9-40171-51.90000111.8T150 C151 F152S148-T150 PolarHBondContact O-N 3.08Å; S148-C151 WeakPolarHBondContact O-CB 3.42Å; S148-C151 PolarHBondContact O-N 3.31Å; S148-F152 WeakPolarHBondContact O-CD2 3.47Å; S148-F152 PolarHBondContact O-N 2.64Å
149E96.3Very high91.8Very high139 Ų139104.4 Ų104.465%0.6557%0.574SS**Hα-helixtrans-56.7-47.7174-174.7-163.6159.300111.9S147 C151 F152 R153S147-E149 PolarHBondContact O-N 3.37Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 3.43Å; E149-F152 PolarHBondContact O-N 2.79Å; E149-R153 VanDerWaalsContact O-CB 3.29Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 PolarHBondContact O-N 3.04Å
150T94.8Very high91.2Very high28 Ų28101 Ų10117%0.17256%0.555CS.*Hα-helixtrans-64-41.4178.7-60.30000111.2S147 S148 R154S147-T150 WeakPolarHBondContact O-CB 3.49Å; S147-T150 PolarHBondContact O-N 2.9Å; S147-T150 PolarHBondContact OG-N 3.45Å; S147-T150 PolarHBondContact OG-OG1 3Å; S147-T150 VanDerWaalsContact OG-OG1 3.12Å; S148-T150 PolarHBondContact O-N 3.08Å; T150-R154 WeakPolarHBondContact O-CG 3.32Å; T150-R154 PolarHBondContact O-N 3.29Å
151C93.7Very high90.2Very high42 Ų42103.9 Ų103.928%0.28457%0.566SS.*Hα-helixtrans-61.8-52.5178.4-170.60000111.3S147 S148 E149 R153 R154 Q155S147-C151 PolarHBondContact O-N 3.37Å; S148-C151 WeakPolarHBondContact O-CB 3.42Å; S148-C151 PolarHBondContact O-N 3.31Å; E149-C151 VanDerWaalsContact C-N 3.33Å; E149-C151 PolarHBondContact O-N 3.43Å; C151-R153 PolarHBondContact O-N 2.95Å; C151-R154 PolarHBondContact O-N 3.5Å; C151-Q155 PolarHBondContact O-N 3.41Å
152F92.9Very high88.9Confident138 Ų138106 Ų10661%0.60557%0.569SS**Hα-helixtrans-62.1-41.4178.5-76.6-60.3000112.3S148 E149 R154 Q155 Y156S148-F152 WeakPolarHBondContact O-CD2 3.47Å; S148-F152 PolarHBondContact O-N 2.64Å; E149-F152 PolarHBondContact O-N 2.79Å; F152-R154 VanDerWaalsContact C-N 3.34Å; F152-R154 PolarHBondContact O-N 3.44Å; F152-Q155 PolarHBondContact O-N 3.2Å; F152-Y156 WeakPolarHBondContact O-CB 2.93Å; F152-Y156 PolarHBondContact O-N 2.79Å
153R93.4Very high87.5Confident139 Ų139102 Ų10253%0.52556%0.557SS.*Hα-helixtrans-59.1-45175.6-175.1178.367.3-160.7-0.9111.7E149 C151 Y156 L157E149-R153 VanDerWaalsContact O-CB 3.29Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 PolarHBondContact O-N 3.04Å; C151-R153 PolarHBondContact O-N 2.95Å; R153-Y156 PolarHBondContact O-N 1.99Å; R153-L157 HydrophobicContact CG-CD1 4.44Å; R153-L157 WeakPolarHBondContact O-CG 3.39Å; R153-L157 PolarHBondContact O-N 2.78Å
154R91.8Very high85.8Confident123 Ų123103.1 Ų103.146%0.46455%0.549SS..Hα-helixtrans-64.5-43.9177.5-74.9178.5178.1-167.62.5111.9T150 C151 F152 Y156 L157 M158T150-R154 WeakPolarHBondContact O-CG 3.32Å; T150-R154 PolarHBondContact O-N 3.29Å; C151-R154 PolarHBondContact O-N 3.5Å; F152-R154 VanDerWaalsContact C-N 3.34Å; F152-R154 PolarHBondContact O-N 3.44Å; R154-Y156 VanDerWaalsContact C-N 3.33Å; R154-Y156 PolarHBondContact O-N 2.95Å; R154-L157 PolarHBondContact O-N 3.12Å; R154-M158 HydrophobicContact CB-CE 3.94Å; R154-M158 WeakPolarHBondContact O-CE 3.36Å; R154-M158 WeakPolarHBondContact O-CG 3.41Å; R154-M158 PolarHBondContact O-N 2.85Å
155Q90.4Very high84.2Confident121 Ų121105.5 Ų105.557%0.56556%0.557SS**Hα-helixtrans-60.7-43.5176.4-178.6-179.6-13.700111.5C151 F152 M158 S159C151-Q155 PolarHBondContact O-N 3.41Å; F152-Q155 PolarHBondContact O-N 3.2Å; Q155-M158 PolarHBondContact O-N 3.22Å; Q155-S159 PolarHBondContact O-N 3.1Å; Q155-S159 VanDerWaalsContact O-N 3.14Å
156Y90.4Very high82.5Confident147 Ų147106.6 Ų106.658%0.57657%0.567SS**Hα-helixtrans-60.1-48176178.1-102.4000111.6F152 R153 R154 M158 S159 L160F152-Y156 WeakPolarHBondContact O-CB 2.93Å; F152-Y156 PolarHBondContact O-N 2.79Å; R153-Y156 PolarHBondContact O-N 1.99Å; R154-Y156 VanDerWaalsContact C-N 3.33Å; R154-Y156 PolarHBondContact O-N 2.95Å; Y156-M158 VanDerWaalsContact C-N 3.27Å; Y156-M158 PolarHBondContact O-N 3.11Å; Y156-S159 WeakPolarHBondContact O-CB 3.49Å; Y156-S159 PolarHBondContact O-N 3.47Å; Y156-S159 PolarHBondContact O-OG 3.16Å; Y156-L160 HydrophobicContact CE1-CD1 4.15Å; Y156-L160 HydrophobicContact CE1-CD2 4.32Å; Y156-L160 HydrophobicContact CE1-CG 4.42Å; Y156-L160 PolarHBondContact O-N 3.23Å
157L89.1Confident80.2Confident103 Ų103112 Ų11254%0.53957%0.57SS.*Hα-helixtrans-60.3-35.6176.8-69.1172.4000112.8R153 R154 S159 L160R153-L157 HydrophobicContact CG-CD1 4.44Å; R153-L157 WeakPolarHBondContact O-CG 3.39Å; R153-L157 PolarHBondContact O-N 2.78Å; R154-L157 PolarHBondContact O-N 3.12Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.46Å; L157-L160 HydrophobicContact CD2-CD1 4.08Å; L157-L160 PolarHBondContact O-N 3.32Å
158M85.9Confident77.9Confident155 Ų155120.5 Ų120.576%0.76461%0.608SS**Hα-helixtrans-69.1-24.1174.9-72.3-177.6-114.200113.4R154 Q155 Y156R154-M158 HydrophobicContact CB-CE 3.94Å; R154-M158 WeakPolarHBondContact O-CE 3.36Å; R154-M158 WeakPolarHBondContact O-CG 3.41Å; R154-M158 PolarHBondContact O-N 2.85Å; Q155-M158 PolarHBondContact O-N 3.22Å; Y156-M158 VanDerWaalsContact C-N 3.27Å; Y156-M158 PolarHBondContact O-N 3.11Å
159S84.7Confident77.1Confident82 Ų82122.1 Ų122.157%0.57361%0.607SS**Hα-helixtrans-81.8-14.317771.70000113.8Q155 Y156 L157 H161Q155-S159 PolarHBondContact O-N 3.1Å; Q155-S159 VanDerWaalsContact O-N 3.14Å; Y156-S159 WeakPolarHBondContact O-CB 3.49Å; Y156-S159 PolarHBondContact O-N 3.47Å; Y156-S159 PolarHBondContact O-OG 3.16Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 3.46Å; S159-H161 PolarHBondContact O-N 2.98Å
160L82.5Confident76Confident62 Ų62121.2 Ų121.233%0.32561%0.605SS.*SBendtrans-72.9117.1176.6-64.5176000109.5Y156 L157Y156-L160 HydrophobicContact CE1-CD1 4.15Å; Y156-L160 HydrophobicContact CE1-CD2 4.32Å; Y156-L160 HydrophobicContact CE1-CG 4.42Å; Y156-L160 PolarHBondContact O-N 3.23Å; L157-L160 HydrophobicContact CD2-CD1 4.08Å; L157-L160 PolarHBondContact O-N 3.32Å
161H69Low75Confident143 Ų143126.3 Ų126.366%0.66263%0.629SS**  trans-72.5135.3174.4-132.5-86.7000109.1S159 S163 E164S159-H161 PolarHBondContact O-N 2.98Å; H161-S163 PolarHBondContact O-N 3.3Å; H161-E164 PolarHBondContact O-N 3.43Å; H161-E164 VanDerWaalsContact O-N 3.08Å
162I65Low73.9Confident152 Ų152131.3 Ų131.378%0.77965%0.649SS**G310 helixtrans-54.1-20.9-179.1-72.3168.2000112.8E164I162-E164 VanDerWaalsContact C-N 3.26Å; I162-E164 PolarHBondContact O-N 3.4Å
163S61.5Low72.7Confident78 Ų78130.9 Ų130.955%0.54565%0.652SS.*G310 helixtrans-69.1-12.7178.749.80000115.4H161H161-S163 PolarHBondContact O-N 3.3Å
164E56.6Low71.3Confident149 Ų149130.3 Ų130.370%0.69666%0.661SS**G310 helixtrans-101-3.4-179.6-66.6-173.3157.400114H161 I162H161-E164 PolarHBondContact O-N 3.43Å; H161-E164 VanDerWaalsContact O-N 3.08Å; I162-E164 VanDerWaalsContact C-N 3.26Å; I162-E164 PolarHBondContact O-N 3.4Å
165V58.8Low69.9Low111 Ų111130.9 Ų130.967%0.67368%0.675SS**SBendtrans-103.7-8.3-172-165.90000113.1
166C54.1Low68.3Low106 Ų106131.6 Ų131.672%0.71668%0.683SS**  trans-11048.8177.8-79.10000113.4
167F44.2Very low66.5Low188 Ų188130.3 Ų130.383%0.82569%0.692SS**  trans-125.161.7165.2-82.7-80.5000110.7
168I46.3Very low64.4Low235 Ų235132.8 Ų132.8100%1.20571%0.706SS**  trans-141.40151.4-56.6-179000105.5

Retrieved 168 of 168 residues in 359.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).