A0A096LY92_POEFO Loading...

CST complex subunit CTC1

AlphaFold DB , UniProt , Accession A0A096LY92, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,132 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
1V72Confident74.8Confident13 Ų1365 Ų658%0.07935%0.347CS..  0-50.60171.60000110.7E3 L4 L5 L61 D63 S65 V68V1-E3 VanDerWaalsContact C-N 3.26Å; V1-E3 PolarHBondContact O-N 3.2Å; V1-L4 WeakPolarHBondContact O-CB 3.12Å; V1-L4 PolarHBondContact O-N 3.47Å; V1-L4 VanDerWaalsContact O-N 3.13Å; V1-L5 HydrophobicContact CG1-CD1 3.94Å; V1-L5 HydrophobicContact CG1-CG 4.34Å; V1-L5 PolarHBondContact O-N 3.21Å; V1-L5 VanDerWaalsContact O-N 3.13Å; V1-L61 HydrophobicContact CG2-CD2 4.33Å; V1-D63 HydrophobicContact CG2-CB 4.35Å; V1-D63 WeakPolarHBondContact CG2-OD2 3.4Å; V1-D63 PolarHBondContact N-OD2 2.9Å; V1-S65 PolarHBondContact N-OG 2.74Å; V1-S65 VanDerWaalsContact N-OG 3.08Å; V1-V68 HydrophobicContact CG1-CB 3.88Å; V1-V68 HydrophobicContact CG1-CG1 3.82Å; V1-V68 HydrophobicContact CG2-CG1 4.28Å
2S75.1Confident75.6Confident50 Ų5059.8 Ų59.835%0.3532%0.319SS..Hα-helixtrans-61.8-29.4-179.6-72.10000114.5L5 A6 S65S2-L5 PolarHBondContact O-N 2.77Å; S2-A6 WeakPolarHBondContact O-CB 3.04Å; S2-A6 PolarHBondContact O-N 3.3Å; S2-S65 PolarHBondContact N-OG 3.02Å; S2-S65 VanDerWaalsContact OG-C 3.26Å; S2-S65 PolarHBondContact OG-O 3.21Å
3E76.4Confident76.6Confident124 Ų12455.2 Ų55.258%0.57930%0.295SS*.Hα-helixtrans-65.2-44.7172.8-170.1175.4-17200112.7V1 L5 A6 Q7V1-E3 VanDerWaalsContact C-N 3.26Å; V1-E3 PolarHBondContact O-N 3.2Å; E3-L5 PolarHBondContact O-N 3.17Å; E3-A6 PolarHBondContact O-N 2.77Å; E3-Q7 HydrophobicContact CG-CG 4.3Å; E3-Q7 WeakPolarHBondContact O-CB 3.43Å; E3-Q7 WeakPolarHBondContact O-CG 3.44Å; E3-Q7 PolarHBondContact O-N 3.06Å; E3-Q7 PolarHBondContact OE1-NE2 2.93Å
4L78.8Confident77.2Confident9 Ų951.3 Ų51.35%0.04727%0.274CS..Hα-helixtrans-58.3-48.7174.1179.974.5000110.5V1 A6 Q8 L45 L47 W89 Y91 L106V1-L4 WeakPolarHBondContact O-CB 3.12Å; V1-L4 PolarHBondContact O-N 3.47Å; V1-L4 VanDerWaalsContact O-N 3.13Å; L4-A6 VanDerWaalsContact C-N 3.27Å; L4-A6 PolarHBondContact O-N 3.31Å; L4-Q8 HydrophobicContact CD1-CB 4.27Å; L4-Q8 HydrophobicContact CD1-CG 3.87Å; L4-Q8 WeakPolarHBondContact O-CB 3.43Å; L4-Q8 PolarHBondContact O-N 2.65Å; L4-L45 HydrophobicContact CD1-CD1 3.86Å; L4-L47 HydrophobicContact CD2-CD1 4.18Å; L4-L47 HydrophobicContact CD2-CD2 4.27Å; L4-W89 HydrophobicContact CD1-CH2 3.72Å; L4-W89 HydrophobicContact CD1-CZ3 4.16Å; L4-Y91 HydrophobicContact CD2-CD2 3.89Å; L4-Y91 HydrophobicContact CD2-CE2 4.24Å; L4-Y91 HydrophobicContact CD2-CG 4.32Å; L4-Y91 HydrophobicContact CG-CD2 4.36Å; L4-Y91 HydrophobicContact CG-CE2 4.49Å; L4-Y91 HydrophobicContact CG-CG 4.5Å; L4-L106 HydrophobicContact CD2-CD2 3.98Å
5L76.9Confident77.6Confident22 Ų2248.8 Ų48.812%0.11526%0.261CS..Hα-helixtrans-70-20.4-178.7-62178.7000113.8V1 S2 E3 V68 Y91 R103V1-L5 HydrophobicContact CG1-CD1 3.94Å; V1-L5 HydrophobicContact CG1-CG 4.34Å; V1-L5 PolarHBondContact O-N 3.21Å; V1-L5 VanDerWaalsContact O-N 3.13Å; S2-L5 PolarHBondContact O-N 2.77Å; E3-L5 PolarHBondContact O-N 3.17Å; L5-V68 HydrophobicContact CD2-CG2 4.05Å; L5-Y91 HydrophobicContact CD2-CE2 3.85Å; L5-Y91 WeakPolarHBondContact CD2-OH 3.21Å; L5-R103 HydrophobicContact CD2-CB 4.14Å
6A69.9Low77.4Confident56 Ų5649.8 Ų49.846%0.46327%0.266SS..Hα-helixtrans-93.3-32.1179.400000113.1S2 E3 L4 H9S2-A6 WeakPolarHBondContact O-CB 3.04Å; S2-A6 PolarHBondContact O-N 3.3Å; E3-A6 PolarHBondContact O-N 2.77Å; L4-A6 VanDerWaalsContact C-N 3.27Å; L4-A6 PolarHBondContact O-N 3.31Å; A6-H9 PolarHBondContact O-NE2 3.22Å
7Q67.9Low77.2Confident107 Ų10751.5 Ų51.550%0.528%0.283SS..Hα-helixtrans-100.8-26.9-174.8-64.8179.57.900113.7E3E3-Q7 HydrophobicContact CG-CG 4.3Å; E3-Q7 WeakPolarHBondContact O-CB 3.43Å; E3-Q7 WeakPolarHBondContact O-CG 3.44Å; E3-Q7 PolarHBondContact O-N 3.06Å; E3-Q7 PolarHBondContact OE1-NE2 2.93Å
8Q73.9Confident77.4Confident45 Ų4552 Ų5221%0.2128%0.28CS..  trans-103.9105.5-175.8-61.3-61.4-31.200111L4 L45 Y91L4-Q8 HydrophobicContact CD1-CB 4.27Å; L4-Q8 HydrophobicContact CD1-CG 3.87Å; L4-Q8 WeakPolarHBondContact O-CB 3.43Å; L4-Q8 PolarHBondContact O-N 2.65Å; Q8-L45 HydrophobicContact CG-CD1 4.29Å; Q8-Y91 HydrophobicContact CB-CD1 4.11Å; Q8-Y91 HydrophobicContact CB-CE1 4.02Å; Q8-Y91 VanDerWaalsContact O-CE1 3.31Å; Q8-Y91 WeakPolarHBondContact O-CE1 3.47Å
9H72.7Confident77.7Confident142 Ų14252.3 Ų52.366%0.65729%0.286SS*.  trans-102.8-5.9175.2-60.7-61.6000113.4A6A6-H9 PolarHBondContact O-NE2 3.22Å
10L75.8Confident77.9Confident131 Ų13154 Ų5469%0.68630%0.298SS*.SBendtrans-115.2152.4179.2-64175.7000110.4
11A83.7Confident78.1Confident16 Ų1656.9 Ų56.913%0.13231%0.313CS..  trans-63.4136.2174.700000110.3L40 P41 Y91 I92A11-L40 HydrophobicContact CB-CD2 3.52Å; A11-P41 WeakPolarHBondContact O-CD 3.42Å; A11-P41 WeakPolarHBondContact O-CG 3.48Å; A11-Y91 CarbonylContact C-O 3.54Å; A11-Y91 WeakPolarHBondContact CA-O 3.29Å; A11-I92 HydrophobicContact CB-CD1 4.06Å
12C84.3Confident78.7Confident2 Ų261.2 Ų61.21%0.01433%0.332CS..EExtended strand (participates in β ladder)trans-150.2165.7-176.663.50000112.8P41 V43 N90 Y91C12-P41 WeakPolarHBondContact CA-O 3.18Å; C12-P41 HydrophobicContact CB-CG 4.23Å; C12-P41 WeakPolarHBondContact CB-O 3.21Å; C12-V43 HydrophobicContact CB-CG1 3.84Å; C12-V43 HydrophobicContact CB-CG2 3.99Å; C12-N90 CarbonylContact O-C 3.6Å; C12-N90 VanDerWaalsContact O-CA 3.29Å; C12-N90 WeakPolarHBondContact O-CA 3.27Å; C12-Y91 PolarHBondContact N-O 3.24Å; C12-Y91 PolarHBondContact O-N 3.09Å
13V87.8Confident79.1Confident1 Ų160 Ų601%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-125.3134.7178.160.60000110.9W26 L40 P41 R42 V43 N90 I109V13-W26 HydrophobicContact CG1-CH2 4.1Å; V13-W26 HydrophobicContact CG1-CZ3 4.07Å; V13-L40 HydrophobicContact CB-CB 3.98Å; V13-L40 HydrophobicContact CB-CD1 4.34Å; V13-L40 HydrophobicContact CG1-CB 3.84Å; V13-L40 WeakPolarHBondContact CG1-O 3.45Å; V13-P41 PolarHBondContact N-O 3.19Å; V13-R42 CarbonylContact O-C 3.57Å; V13-R42 WeakPolarHBondContact O-CA 3.38Å; V13-V43 WeakPolarHBondContact O-CG2 3.4Å; V13-V43 PolarHBondContact O-N 3.06Å; V13-N90 WeakPolarHBondContact CB-OD1 3.29Å; V13-N90 WeakPolarHBondContact CG2-OD1 3.4Å; V13-I109 HydrophobicContact CG2-CD1 4.16Å
14S85.4Confident79.5Confident0 Ų061.1 Ų61.10%032%0.32CS..EExtended strand (participates in β ladder)trans-114.5121.5168-1680000109.2V43 L45 H88 W89S14-V43 WeakPolarHBondContact CA-O 3.48Å; S14-V43 PolarHBondContact OG-O 3.12Å; S14-L45 PolarHBondContact OG-O 2.8Å; S14-H88 WeakPolarHBondContact O-CA 3.3Å; S14-W89 PolarHBondContact N-O 3Å; S14-W89 PolarHBondContact O-N 3.26Å
15N82.8Confident79.8Confident14 Ų1463.5 Ų63.58%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-138109.2170.4-168.6-36.2000109.6S17 W18 H88N15-S17 VanDerWaalsContact C-N 3.35Å; N15-S17 PolarHBondContact OD1-N 3.43Å; N15-S17 PolarHBondContact OD1-OG 3.47Å; N15-W18 HydrophobicContact CB-CB 4.48Å; N15-W18 HydrophobicContact CB-CD2 3.65Å; N15-W18 HydrophobicContact CB-CE3 3.58Å; N15-W18 HydrophobicContact CB-CG 4.05Å; N15-W18 HydrophobicContact CB-CH2 4.44Å; N15-W18 HydrophobicContact CB-CZ3 3.99Å; N15-W18 VanDerWaalsContact CG-CD2 3.46Å; N15-W18 VanDerWaalsContact ND2-CZ2 3.31Å; N15-W18 WeakPolarHBondContact ND2-CZ2 3.47Å; N15-W18 PolarHBondContact ND2-NE1 3.21Å; N15-H88 PolarHBondContact ND2-ND1 3.12Å; N15-H88 PolarHBondContact OD1-CE1 3.17Å; N15-H88 PolarHBondContact OD1-ND1 2.96Å
16L75.6Confident80.3Confident65 Ų6564 Ų6434%0.3434%0.342SS..THydrogen-bonded Turntrans-79.3-16.2-173.5-60.1170.6000113.6L46 F85 P87L16-L46 HydrophobicContact CD1-CD2 3.41Å; L16-L46 VanDerWaalsContact CD1-CD2 3.41Å; L16-L46 HydrophobicContact CD2-CD2 4.32Å; L16-F85 HydrophobicContact CD1-CE1 4.39Å; L16-F85 HydrophobicContact CD1-CE2 4.24Å; L16-F85 HydrophobicContact CD1-CZ 3.52Å; L16-P87 HydrophobicContact CD1-CB 4.37Å; L16-P87 PolarHBondContact N-O 3.32Å
17S74.2Confident80.9Confident79 Ų7962 Ų6255%0.55233%0.325SS*.THydrogen-bonded Turntrans-88.6-8.717965.30000113.4N15 H88N15-S17 VanDerWaalsContact C-N 3.35Å; N15-S17 PolarHBondContact OD1-N 3.43Å; N15-S17 PolarHBondContact OD1-OG 3.47Å; S17-H88 PolarHBondContact OG-CE1 3.32Å
18W80.8Confident81.7Confident60 Ų6065.2 Ų65.223%0.22733%0.332CS..  trans-88.7129.1-176.1-71.9-7.2000114.1N15 Q22 H23 W26 R42N15-W18 HydrophobicContact CB-CB 4.48Å; N15-W18 HydrophobicContact CB-CD2 3.65Å; N15-W18 HydrophobicContact CB-CE3 3.58Å; N15-W18 HydrophobicContact CB-CG 4.05Å; N15-W18 HydrophobicContact CB-CH2 4.44Å; N15-W18 HydrophobicContact CB-CZ3 3.99Å; N15-W18 VanDerWaalsContact CG-CD2 3.46Å; N15-W18 VanDerWaalsContact ND2-CZ2 3.31Å; N15-W18 WeakPolarHBondContact ND2-CZ2 3.47Å; N15-W18 PolarHBondContact ND2-NE1 3.21Å; W18-Q22 HydrophobicContact CB-CB 4.41Å; W18-Q22 HydrophobicContact CG-CB 4.49Å; W18-H23 HydrophobicContact CE3-CB 4.27Å; W18-H23 AromaticContact CE3-ND1 3.88Å; W18-H23 AromaticContact CZ3-ND1 3.98Å; W18-W26 HydrophobicContact CH2-CB 4.47Å; W18-W26 AromaticContact CH2-CD1 3.62Å; W18-W26 AromaticContact CH2-CD2 3.67Å; W18-W26 HydrophobicContact CH2-CD2 3.67Å; W18-W26 AromaticContact CH2-CE2 3.6Å; W18-W26 HydrophobicContact CH2-CE3 4.38Å; W18-W26 AromaticContact CH2-CG 3.69Å; W18-W26 HydrophobicContact CH2-CG 3.69Å; W18-W26 HydrophobicContact CH2-CZ2 4.25Å; W18-W26 AromaticContact CH2-NE1 3.54Å; W18-W26 HydrophobicContact CZ2-CG 4.34Å; W18-W26 AromaticContact CZ3-CD2 3.72Å; W18-W26 HydrophobicContact CZ3-CD2 3.72Å; W18-W26 AromaticContact CZ3-CE3 3.99Å; W18-W26 HydrophobicContact CZ3-CE3 3.99Å; W18-W26 AromaticContact CZ3-CG 3.96Å; W18-W26 HydrophobicContact CZ3-CG 3.96Å; W18-R42 PolarHBondContact O-NH1 3.08Å; W18-R42 PolarHBondContact O-NH2 3.14Å
19S82.3Confident82.2Confident58 Ų5868.2 Ų68.241%0.40635%0.346SS..  trans-67.5161162.3700000111.7N21 Q22 H23S19-N21 PolarHBondContact O-N 3.09Å; S19-Q22 PolarHBondContact O-N 3.49Å; S19-Q22 WeakPolarHBondContact OG-CG 3.23Å; S19-Q22 PolarHBondContact OG-N 3.43Å; S19-Q22 PolarHBondContact OG-OE1 3.41Å; S19-H23 PolarHBondContact O-N 3.41Å
20T82.4Confident82.6Confident85 Ų8561.4 Ų61.452%0.52132%0.315SS..Hα-helixtrans-57.2-35.4176.3-50.30000112.2R24T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.41Å; T20-R24 VanDerWaalsContact O-N 3.07Å
21N82.3Confident83Confident115 Ų11559 Ų5962%0.61530%0.3SS*.Hα-helixtrans-71.9-41.2178.9-69.5-20.4000112.2S19 R24 A25S19-N21 PolarHBondContact O-N 3.09Å; N21-R24 PolarHBondContact O-N 3.39Å; N21-A25 PolarHBondContact O-N 3.42Å
22Q83.8Confident82.9Confident104 Ų10465.2 Ų65.249%0.48633%0.33SS..Hα-helixtrans-63-42.5175.2-76.3166.5-25.400111.5W18 S19 A25 W26W18-Q22 HydrophobicContact CB-CB 4.41Å; W18-Q22 HydrophobicContact CG-CB 4.49Å; S19-Q22 PolarHBondContact O-N 3.49Å; S19-Q22 WeakPolarHBondContact OG-CG 3.23Å; S19-Q22 PolarHBondContact OG-N 3.43Å; S19-Q22 PolarHBondContact OG-OE1 3.41Å; Q22-A25 PolarHBondContact O-N 3.21Å; Q22-W26 WeakPolarHBondContact O-CB 3.44Å; Q22-W26 PolarHBondContact O-N 3.27Å
23H84.3Confident82.6Confident26 Ų2668.2 Ų68.212%0.1235%0.351CS..Hα-helixtrans-63.8-41.8175.9178.864.8000112.2W18 S19 A25 W26 A27 R42W18-H23 HydrophobicContact CE3-CB 4.27Å; W18-H23 AromaticContact CE3-ND1 3.88Å; W18-H23 AromaticContact CZ3-ND1 3.98Å; S19-H23 PolarHBondContact O-N 3.41Å; H23-A25 PolarHBondContact O-N 2.85Å; H23-W26 AromaticContact CE1-CE3 3.95Å; H23-W26 AromaticContact CE1-CZ3 3.95Å; H23-W26 AromaticContact ND1-CE3 3.89Å; H23-W26 PolarHBondContact O-N 3.16Å; H23-A27 VanDerWaalsContact O-CB 3.3Å; H23-A27 WeakPolarHBondContact O-CB 3.44Å; H23-A27 PolarHBondContact O-N 3.18Å; H23-R42 WeakPolarHBondContact NE2-CB 2.89Å
24R84.4Confident82.1Confident147 Ų14768.9 Ų68.956%0.55536%0.355SS*.Hα-helixtrans-63.5-39.7175.8-76.2176.3-175.5165.80.5112.7T20 N21 R28T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.41Å; T20-R24 VanDerWaalsContact O-N 3.07Å; N21-R24 PolarHBondContact O-N 3.39Å; R24-R28 WeakPolarHBondContact O-CG 3.39Å; R24-R28 PolarHBondContact O-N 3.46Å
25A84.9Confident81.4Confident59 Ų5973.2 Ų73.249%0.48839%0.391SS..Hα-helixtrans-64-47.317600000111N21 Q22 H23 A27 R28 E29N21-A25 PolarHBondContact O-N 3.42Å; Q22-A25 PolarHBondContact O-N 3.21Å; H23-A25 PolarHBondContact O-N 2.85Å; A25-A27 PolarHBondContact O-N 3.49Å; A25-R28 PolarHBondContact O-N 3.21Å; A25-E29 WeakPolarHBondContact O-CB 3.46Å; A25-E29 PolarHBondContact O-N 3.24Å
26W86.7Confident80.7Confident32 Ų3276.5 Ų76.512%0.12143%0.428CS..Hα-helixtrans-59-44175.7175.587.9000112.8V13 W18 Q22 H23 E29 A30 L40 R348V13-W26 HydrophobicContact CG1-CH2 4.1Å; V13-W26 HydrophobicContact CG1-CZ3 4.07Å; W18-W26 HydrophobicContact CH2-CB 4.47Å; W18-W26 AromaticContact CH2-CD1 3.62Å; W18-W26 AromaticContact CH2-CD2 3.67Å; W18-W26 HydrophobicContact CH2-CD2 3.67Å; W18-W26 AromaticContact CH2-CE2 3.6Å; W18-W26 HydrophobicContact CH2-CE3 4.38Å; W18-W26 AromaticContact CH2-CG 3.69Å; W18-W26 HydrophobicContact CH2-CG 3.69Å; W18-W26 HydrophobicContact CH2-CZ2 4.25Å; W18-W26 AromaticContact CH2-NE1 3.54Å; W18-W26 HydrophobicContact CZ2-CG 4.34Å; W18-W26 AromaticContact CZ3-CD2 3.72Å; W18-W26 HydrophobicContact CZ3-CD2 3.72Å; W18-W26 AromaticContact CZ3-CE3 3.99Å; W18-W26 HydrophobicContact CZ3-CE3 3.99Å; W18-W26 AromaticContact CZ3-CG 3.96Å; W18-W26 HydrophobicContact CZ3-CG 3.96Å; Q22-W26 WeakPolarHBondContact O-CB 3.44Å; Q22-W26 PolarHBondContact O-N 3.27Å; H23-W26 AromaticContact CE1-CE3 3.95Å; H23-W26 AromaticContact CE1-CZ3 3.95Å; H23-W26 AromaticContact ND1-CE3 3.89Å; H23-W26 PolarHBondContact O-N 3.16Å; W26-E29 PolarHBondContact O-N 3.26Å; W26-A30 WeakPolarHBondContact O-CB 3.4Å; W26-A30 PolarHBondContact O-N 3.15Å; W26-L40 HydrophobicContact CH2-CB 4.18Å; W26-R348 HydrophobicContact CH2-CB 4.06Å; W26-R348 WeakPolarHBondContact CH2-O 3.44Å; W26-R348 HydrophobicContact CZ2-CB 3.52Å; W26-R348 HydrophobicContact CZ2-CG 3.66Å
27A83.8Confident80.8Confident13 Ų1375.7 Ų75.711%0.10742%0.422CS..Hα-helixtrans-63.1-4517800000112.1H23 A25 A30 E31 S39H23-A27 VanDerWaalsContact O-CB 3.3Å; H23-A27 WeakPolarHBondContact O-CB 3.44Å; H23-A27 PolarHBondContact O-N 3.18Å; A25-A27 PolarHBondContact O-N 3.49Å; A27-A30 PolarHBondContact O-N 2.89Å; A27-E31 WeakPolarHBondContact O-CG 2.95Å; A27-E31 PolarHBondContact O-N 3.37Å; A27-S39 WeakPolarHBondContact CB-OG 3.46Å
28R84Confident81.1Confident175 Ų17581.7 Ų81.766%0.6643%0.433SS*.Hα-helixtrans-63-42.7176-74.9178.6-175-178.11.3112R24 A25 A30 E31 L32R24-R28 WeakPolarHBondContact O-CG 3.39Å; R24-R28 PolarHBondContact O-N 3.46Å; A25-R28 PolarHBondContact O-N 3.21Å; R28-A30 VanDerWaalsContact C-N 3.34Å; R28-E31 PolarHBondContact O-N 3.06Å; R28-L32 WeakPolarHBondContact O-CB 3.06Å; R28-L32 VanDerWaalsContact O-CG 3.23Å; R28-L32 WeakPolarHBondContact O-CG 3.3Å; R28-L32 PolarHBondContact O-N 3.49Å
29E84.3Confident81.3Confident108 Ų10879.8 Ų79.851%0.50543%0.429SS..Hα-helixtrans-62.5-42.4177.5-168.9-168.5143.100111.4A25 W26 E31 L32 S33 R348A25-E29 WeakPolarHBondContact O-CB 3.46Å; A25-E29 PolarHBondContact O-N 3.24Å; W26-E29 PolarHBondContact O-N 3.26Å; E29-E31 PolarHBondContact O-N 3.01Å; E29-L32 PolarHBondContact O-N 3.01Å; E29-S33 WeakPolarHBondContact O-CB 3.49Å; E29-S33 PolarHBondContact O-N 3.24Å; E29-R348 VanDerWaalsContact CD-NH1 3.27Å; E29-R348 IonicContact OE1-CZ 2.83Å; E29-R348 IonicContact OE1-NH1 3.39Å; E29-R348 PolarHBondContact OE1-NH1 2.76Å; E29-R348 IonicContact OE1-NH2 3.98Å; E29-R348 IonicContact OE2-NH1 3.59Å
30A81.6Confident81.4Confident0 Ų077 Ų770%041%0.409CS..Hα-helixtrans-59.9-46.7175.700000111.7W26 A27 R28 S33 L34 R348 V349W26-A30 WeakPolarHBondContact O-CB 3.4Å; W26-A30 PolarHBondContact O-N 3.15Å; A27-A30 PolarHBondContact O-N 2.89Å; R28-A30 VanDerWaalsContact C-N 3.34Å; A30-S33 PolarHBondContact O-N 2.82Å; A30-S33 PolarHBondContact O-OG 3.04Å; A30-L34 PolarHBondContact O-N 2.94Å; A30-R348 HydrophobicContact CB-CB 3.6Å; A30-V349 HydrophobicContact CB-CG1 4.39Å
31E84.1Confident81.4Confident81 Ų8176.3 Ų76.338%0.37941%0.407SS..Hα-helixtrans-70-31.2-179.1-70.9170.9-176.300113.1A27 R28 E29 L34 S39A27-E31 WeakPolarHBondContact O-CG 2.95Å; A27-E31 PolarHBondContact O-N 3.37Å; R28-E31 PolarHBondContact O-N 3.06Å; E29-E31 PolarHBondContact O-N 3.01Å; E31-L34 CarbonylContact O-C 3.59Å; E31-S39 WeakPolarHBondContact OE1-CB 3.25Å; E31-S39 PolarHBondContact OE1-N 3.07Å; E31-S39 VanDerWaalsContact OE1-N 3.14Å; E31-S39 PolarHBondContact OE1-OG 2.8Å
32L81.8Confident81.6Confident145 Ų14574.5 Ų74.576%0.75939%0.391SS*.Hα-helixtrans-72.5-35173.7-72.7168.9000112.2R28 E29 L34R28-L32 WeakPolarHBondContact O-CB 3.06Å; R28-L32 VanDerWaalsContact O-CG 3.23Å; R28-L32 WeakPolarHBondContact O-CG 3.3Å; R28-L32 PolarHBondContact O-N 3.49Å; E29-L32 PolarHBondContact O-N 3.01Å; L32-L34 VanDerWaalsContact C-N 3.34Å
33S77.9Confident81.5Confident65 Ų6570.7 Ų70.746%0.45538%0.375SS..Hα-helixtrans-68.5-32.5179.971.90000113.1E29 A30 R291E29-S33 WeakPolarHBondContact O-CB 3.49Å; E29-S33 PolarHBondContact O-N 3.24Å; A30-S33 PolarHBondContact O-N 2.82Å; A30-S33 PolarHBondContact O-OG 3.04Å; S33-R291 PolarHBondContact O-NH2 3.03Å
34L78.1Confident81.1Confident15 Ų1574.8 Ų74.88%0.07940%0.398CS..SBendtrans-129.792.9-178.7-68.6167.8000110.9A30 E31 L32 G36 Q37 P309 V349A30-L34 PolarHBondContact O-N 2.94Å; E31-L34 CarbonylContact O-C 3.59Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L34-G36 PolarHBondContact O-N 2.82Å; L34-Q37 HydrophobicContact CB-CB 4.29Å; L34-Q37 HydrophobicContact CB-CG 4.5Å; L34-Q37 PolarHBondContact O-N 2.95Å; L34-P309 HydrophobicContact CD1-CB 4.31Å; L34-P309 HydrophobicContact CD2-CB 4.48Å; L34-V349 HydrophobicContact CD1-CG1 4.17Å; L34-V349 HydrophobicContact CD1-CG2 3.66Å
35A69.2Low80.8Confident92 Ų9270.2 Ų70.276%0.7638%0.384SS*.THydrogen-bonded Turntrans-58.2128.1-179.100000112.1
36G69.1Low80.3Confident83 Ų8373.1 Ų73.186%0.85639%0.39SS*.THydrogen-bonded Turntrans89.1-3.817700000115.8L34L34-G36 PolarHBondContact O-N 2.82Å
37Q77.5Confident80.1Confident47 Ų4772.1 Ų72.122%0.2239%0.387CS..PPolyproline II helixtrans-100.5149.9173.6-68.5-66.6-26.500110.9L34 V349 A352L34-Q37 HydrophobicContact CB-CB 4.29Å; L34-Q37 HydrophobicContact CB-CG 4.5Å; L34-Q37 PolarHBondContact O-N 2.95Å; Q37-V349 HydrophobicContact CB-CB 4.06Å; Q37-V349 HydrophobicContact CB-CG1 3.99Å; Q37-V349 HydrophobicContact CB-CG2 4.26Å; Q37-A352 PolarHBondContact NE2-O 3.35Å; Q37-A352 VanDerWaalsContact NE2-O 3.12Å
38R80.8Confident80Confident205 Ų20575.8 Ų75.877%0.77440%0.404SS*.EExtended strand (participates in β ladder)trans-99.3141.1177.9-69.8-173.9177.8-176.9-0.1110.9V349 G350R38-V349 CarbonylContact O-C 3.45Å; R38-V349 WeakPolarHBondContact O-CA 3.44Å; R38-V349 WeakPolarHBondContact O-CB 3.33Å; R38-G350 PolarHBondContact O-N 2.9Å
39S84.3Confident79.9Confident20 Ų2067.6 Ų67.614%0.1437%0.374CS..EExtended strand (participates in β ladder)trans-62.9155.1173.156.60000112A27 E31A27-S39 WeakPolarHBondContact CB-OG 3.46Å; E31-S39 WeakPolarHBondContact OE1-CB 3.25Å; E31-S39 PolarHBondContact OE1-N 3.07Å; E31-S39 VanDerWaalsContact OE1-N 3.14Å; E31-S39 PolarHBondContact OE1-OG 2.8Å
40L84.9Confident79.7Confident0 Ų067.6 Ų67.60%037%0.37CS..PPolyproline II helixtrans-64.3128.9176.7-69.8165.7000110.7A11 V13 W26 N90 I92 R348 G350A11-L40 HydrophobicContact CB-CD2 3.52Å; V13-L40 HydrophobicContact CB-CB 3.98Å; V13-L40 HydrophobicContact CB-CD1 4.34Å; V13-L40 HydrophobicContact CG1-CB 3.84Å; V13-L40 WeakPolarHBondContact CG1-O 3.45Å; W26-L40 HydrophobicContact CH2-CB 4.18Å; L40-N90 HydrophobicContact CD1-CB 4.07Å; L40-N90 WeakPolarHBondContact CD1-OD1 3.28Å; L40-I92 HydrophobicContact CD2-CD1 4.36Å; L40-R348 PolarHBondContact N-O 3.03Å; L40-R348 VanDerWaalsContact N-O 3.11Å; L40-G350 VanDerWaalsContact CD2-CA 3.48Å
41P82.6Confident79.5Confident71 Ų7167.6 Ų67.646%0.46137%0.37SS..PPolyproline II helixtrans-66.1137.917626.9-34.6000111.4A11 C12 V13A11-P41 WeakPolarHBondContact O-CD 3.42Å; A11-P41 WeakPolarHBondContact O-CG 3.48Å; C12-P41 WeakPolarHBondContact CA-O 3.18Å; C12-P41 HydrophobicContact CB-CG 4.23Å; C12-P41 WeakPolarHBondContact CB-O 3.21Å; V13-P41 PolarHBondContact N-O 3.19Å
42R84.8Confident79Confident77 Ų7768.8 Ų68.829%0.29137%0.371SS..BIsolated β-bridgetrans-71.2132.1177.2179.8176.5178.1157.77.5111.7V13 W18 H23 N44V13-R42 CarbonylContact O-C 3.57Å; V13-R42 WeakPolarHBondContact O-CA 3.38Å; W18-R42 PolarHBondContact O-NH1 3.08Å; W18-R42 PolarHBondContact O-NH2 3.14Å; H23-R42 WeakPolarHBondContact NE2-CB 2.89Å; R42-N44 PolarHBondContact NE-OD1 3.09Å; R42-N44 PolarHBondContact NH2-OD1 3.37Å
43V83.5Confident78.3Confident23 Ų2364 Ų6414%0.13935%0.351CS..  trans-119.8149.7164-680000109.3C12 V13 S14 L45 W89C12-V43 HydrophobicContact CB-CG1 3.84Å; C12-V43 HydrophobicContact CB-CG2 3.99Å; V13-V43 WeakPolarHBondContact O-CG2 3.4Å; V13-V43 PolarHBondContact O-N 3.06Å; S14-V43 WeakPolarHBondContact CA-O 3.48Å; S14-V43 PolarHBondContact OG-O 3.12Å; V43-L45 HydrophobicContact CB-CD1 4.5Å; V43-L45 HydrophobicContact CB-CG 4.45Å; V43-W89 HydrophobicContact CG2-CH2 3.83Å; V43-W89 HydrophobicContact CG2-CZ3 4.24Å
44N75.1Confident77.7Confident113 Ų11361.5 Ų61.560%0.60434%0.336SS*.  trans-111.966.4177.3-65.2-35.3000108.9R42R42-N44 PolarHBondContact NE-OD1 3.09Å; R42-N44 PolarHBondContact NH2-OD1 3.37Å
45L77.4Confident76.7Confident50 Ų5071.5 Ų71.526%0.26237%0.373SS..  trans-110.4136.3-179.7-69.6175.2000110L4 Q8 S14 V43 W89L4-L45 HydrophobicContact CD1-CD1 3.86Å; Q8-L45 HydrophobicContact CG-CD1 4.29Å; S14-L45 PolarHBondContact OG-O 2.8Å; V43-L45 HydrophobicContact CB-CD1 4.5Å; V43-L45 HydrophobicContact CB-CG 4.45Å; L45-W89 HydrophobicContact CB-CH2 4.09Å; L45-W89 HydrophobicContact CB-CZ2 3.73Å; L45-W89 HydrophobicContact CD1-CH2 4.37Å
46L75.8Confident76.1Confident120 Ų12068.8 Ų68.863%0.62835%0.354SS*.  trans-91.5128.5174.9-65.8164.1000108.8L16 F85L16-L46 HydrophobicContact CD1-CD2 3.41Å; L16-L46 VanDerWaalsContact CD1-CD2 3.41Å; L16-L46 HydrophobicContact CD2-CD2 4.32Å; L46-F85 HydrophobicContact CB-CE2 4.42Å; L46-F85 HydrophobicContact CD2-CE2 3.52Å; L46-F85 HydrophobicContact CD2-CZ 3.66Å
47L81.5Confident75.7Confident11 Ų1164.8 Ų64.86%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-115.3120.8174.8-78.2174.3000110.1L4 L61 L86 W89 L106L4-L47 HydrophobicContact CD2-CD1 4.18Å; L4-L47 HydrophobicContact CD2-CD2 4.27Å; L47-L61 HydrophobicContact CB-CD2 4.35Å; L47-L61 HydrophobicContact CD2-CD2 4.42Å; L47-L86 HydrophobicContact CB-CB 4.1Å; L47-L86 HydrophobicContact CB-CD1 4.28Å; L47-L86 PolarHBondContact O-N 3.43Å; L47-W89 HydrophobicContact CD1-CD2 3.61Å; L47-W89 HydrophobicContact CD1-CE3 4.18Å; L47-W89 HydrophobicContact CD1-CG 4Å; L47-W89 HydrophobicContact CD1-CH2 4.18Å; L47-W89 HydrophobicContact CD1-CZ2 3.57Å; L47-W89 HydrophobicContact CD1-CZ3 4.46Å; L47-W89 HydrophobicContact CG-CZ2 3.89Å; L47-L106 HydrophobicContact CD1-CD1 3.83Å; L47-L106 HydrophobicContact CD1-CD2 3.87Å
48I80.9Confident75.4Confident91 Ų9163.9 Ų63.947%0.46731%0.309SS..EExtended strand (participates in β ladder)trans-129.2132.1176-61.1167.5000107.2L83 V84 F85I48-L83 HydrophobicContact CG2-CD1 3.97Å; I48-L83 HydrophobicContact CG2-CG 4.29Å; I48-V84 WeakPolarHBondContact CA-O 3.3Å; I48-F85 HydrophobicContact CD1-CD2 4.4Å; I48-F85 HydrophobicContact CG1-CD2 3.75Å
49G83.8Confident75.2Confident2 Ų254.5 Ų54.52%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-176.7-178.8179.300000112.3V84G49-V84 PolarHBondContact N-O 3.27Å; G49-V84 WeakPolarHBondContact O-CG2 3.3Å; G49-V84 PolarHBondContact O-N 3.32Å
50W79.8Confident74.9Confident109 Ų10956.2 Ų56.241%0.41328%0.277SS..EExtended strand (participates in β ladder)trans-96.4122.6177.8-63.379.1000109.3R52 E62 N81 R82 L83W50-R52 HydrophobicContact CB-CG 4.21Å; W50-R52 PolarHBondContact O-N 2.81Å; W50-E62 PolarHBondContact N-O 3.03Å; W50-E62 PolarHBondContact O-N 3.16Å; W50-N81 VanDerWaalsContact CZ3-O 3.3Å; W50-N81 WeakPolarHBondContact CZ3-O 3.23Å; W50-R82 WeakPolarHBondContact CA-O 3.33Å; W50-L83 HydrophobicContact CD2-CB 4.42Å; W50-L83 HydrophobicContact CD2-CD1 4.41Å; W50-L83 HydrophobicContact CG-CD1 4.39Å; W50-L83 HydrophobicContact CH2-CB 4.45Å; W50-L83 HydrophobicContact CZ2-CB 4.24Å; W50-L83 HydrophobicContact CZ2-CD1 4.47Å
51L77.1Confident74.9Confident0 Ų056.2 Ų56.20%028%0.277CS..EExtended strand (participates in β ladder)trans-79.2112.8170.8-80.8173.4000109.5W59 R60 L61 W79 N81 R82 V84 P112L51-W59 HydrophobicContact CB-CE3 3.98Å; L51-W59 HydrophobicContact CB-CZ3 3.97Å; L51-W59 HydrophobicContact CD2-CE3 4.29Å; L51-W59 HydrophobicContact CG-CE3 4.5Å; L51-R60 CarbonylContact C-O 3.49Å; L51-R60 WeakPolarHBondContact CA-O 3.08Å; L51-L61 HydrophobicContact CD2-CB 4.37Å; L51-L61 HydrophobicContact CD2-CD1 4.25Å; L51-L61 HydrophobicContact CG-CD1 4.31Å; L51-W79 HydrophobicContact CD1-CB 3.95Å; L51-N81 PolarHBondContact O-N 3Å; L51-R82 PolarHBondContact N-O 3.42Å; L51-V84 HydrophobicContact CB-CG2 4.43Å; L51-V84 HydrophobicContact CD1-CB 4.49Å; L51-V84 HydrophobicContact CD1-CG1 4.17Å; L51-V84 HydrophobicContact CD1-CG2 3.72Å; L51-V84 HydrophobicContact CG-CG2 3.66Å; L51-P112 HydrophobicContact CD1-CG 4.38Å
52R73.6Confident74.9Confident106 Ų10655.5 Ų55.540%0.427%0.267SS..EExtended strand (participates in β ladder)trans-123.9163.1-174.6-71.5178.8173.3-127.10.5112.1W50 R60 E62W50-R52 HydrophobicContact CB-CG 4.21Å; W50-R52 PolarHBondContact O-N 2.81Å; R52-R60 PolarHBondContact N-O 3.16Å; R52-R60 PolarHBondContact O-N 2.85Å; R52-E62 HydrophobicContact CB-CG 4.38Å; R52-E62 WeakPolarHBondContact CD-OE2 3.41Å
53A67.2Low74.8Confident43 Ų4354.2 Ų54.236%0.35527%0.266SS..EExtended strand (participates in β ladder)trans-78.3119.417500000112.2M80 I185A53-M80 HydrophobicContact CB-CE 4.26Å; A53-M80 HydrophobicContact CB-SD 4.23Å; A53-I185 HydrophobicContact CB-CD1 3.38Å
54G64Low74.3Confident13 Ų1357.8 Ų57.813%0.13431%0.307CS..  trans-90.4174.3171.800000113.5G56 G57 E58G54-G56 PolarHBondContact O-N 3.31Å; G54-G57 PolarHBondContact O-N 2.89Å; G54-G57 VanDerWaalsContact O-N 3.14Å; G54-E58 WeakPolarHBondContact CA-O 3.36Å; G54-E58 PolarHBondContact N-O 2.7Å
55R58.4Low74.4Confident225 Ų22555.3 Ų55.385%0.84930%0.299SS*.G310 helixtrans-58.8137.4177-65.7-172.2-163.7-133.53.4110.5G57R55-G57 PolarHBondContact O-N 3.47Å; R55-G57 VanDerWaalsContact O-N 3.11Å
56G56.1Low74.5Confident35 Ų3554.1 Ų54.136%0.36130%0.299SS..G310 helixtrans68.61.3-178.500000115.2G54 R304G54-G56 PolarHBondContact O-N 3.31Å; G56-R304 VanDerWaalsContact C-NH1 3.33Å; G56-R304 PolarHBondContact O-NH1 3.38Å; G56-R304 PolarHBondContact O-NH2 3.02Å
57G60.4Low74.8Confident0 Ų050.5 Ų50.50%028%0.284CS..G310 helixtrans94.128.7178.500000116.2G54 R55 P184 R188G54-G57 PolarHBondContact O-N 2.89Å; G54-G57 VanDerWaalsContact O-N 3.14Å; R55-G57 PolarHBondContact O-N 3.47Å; R55-G57 VanDerWaalsContact O-N 3.11Å; G57-P184 VanDerWaalsContact N-CG 3.3Å; G57-R188 PolarHBondContact O-NH1 3.48Å; G57-R188 VanDerWaalsContact O-NH1 3.15Å
58E70.8Confident74.9Confident27 Ų2750.3 Ų50.313%0.12628%0.283CS..  trans-76.9147.3165.5-59.3179.4157.400110.7G54 R60 R69 I185G54-E58 WeakPolarHBondContact CA-O 3.36Å; G54-E58 PolarHBondContact N-O 2.7Å; E58-R60 IonicContact OE2-CZ 3.46Å; E58-R60 IonicContact OE2-NE 2.66Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH2 3.52Å; E58-R60 PolarHBondContact OE2-NH2 3.32Å; E58-R69 IonicContact OE1-CZ 3.04Å; E58-R69 VanDerWaalsContact OE1-CZ 3.24Å; E58-R69 IonicContact OE1-NE 3.99Å; E58-R69 IonicContact OE1-NH1 3.75Å; E58-R69 PolarHBondContact OE1-NH1 2.04Å; E58-I185 WeakPolarHBondContact O-CD1 3.37Å
59W76.6Confident75Confident8 Ų847.9 Ų47.93%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-83.1136.6166.3-73.285.6000109L51 C70 L72 P75 S76 W79 M80 I185L51-W59 HydrophobicContact CB-CE3 3.98Å; L51-W59 HydrophobicContact CB-CZ3 3.97Å; L51-W59 HydrophobicContact CD2-CE3 4.29Å; L51-W59 HydrophobicContact CG-CE3 4.5Å; W59-C70 HydrophobicContact CB-CB 4.11Å; W59-C70 PolarHBondContact O-N 3.14Å; W59-L72 HydrophobicContact CB-CD1 3.48Å; W59-L72 VanDerWaalsContact CB-CD1 3.48Å; W59-L72 HydrophobicContact CD2-CD1 4.06Å; W59-L72 HydrophobicContact CG-CD1 3.42Å; W59-L72 VanDerWaalsContact CG-CD1 3.42Å; W59-P75 HydrophobicContact CZ2-CB 3.82Å; W59-S76 WeakPolarHBondContact CH2-O 3.09Å; W59-W79 HydrophobicContact CH2-CB 4.49Å; W59-W79 HydrophobicContact CZ3-CB 4.36Å; W59-M80 HydrophobicContact CD2-CE 4.35Å; W59-M80 HydrophobicContact CE3-CE 3.9Å; W59-M80 HydrophobicContact CH2-CB 4.24Å; W59-M80 HydrophobicContact CH2-CE 3.59Å; W59-M80 HydrophobicContact CZ2-CE 4.03Å; W59-M80 HydrophobicContact CZ3-CB 4.36Å; W59-M80 HydrophobicContact CZ3-CE 3.5Å; W59-M80 HydrophobicContact CZ3-SD 4.28Å; W59-I185 HydrophobicContact CD2-CG2 4.17Å; W59-I185 HydrophobicContact CH2-CG2 3.99Å; W59-I185 HydrophobicContact CZ2-CG2 3.29Å
60R79.6Confident74.8Confident56 Ų5647.9 Ų47.921%0.21127%0.267CS..EExtended strand (participates in β ladder)trans-128.2133.3175.2-66.4-172.7176.1-168-9.6110.2L51 R52 E58 E62 V68L51-R60 CarbonylContact C-O 3.49Å; L51-R60 WeakPolarHBondContact CA-O 3.08Å; R52-R60 PolarHBondContact N-O 3.16Å; R52-R60 PolarHBondContact O-N 2.85Å; E58-R60 IonicContact OE2-CZ 3.46Å; E58-R60 IonicContact OE2-NE 2.66Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH2 3.52Å; E58-R60 PolarHBondContact OE2-NH2 3.32Å; R60-E62 HydrophobicContact CB-CG 4.18Å; R60-V68 CarbonylContact C-O 3.59Å; R60-V68 VanDerWaalsContact CA-O 3.27Å; R60-V68 WeakPolarHBondContact CA-O 3.47Å
61L83.8Confident74.9Confident0 Ų044.2 Ų44.20%026%0.255CS..EExtended strand (participates in β ladder)trans-89.1117167.7-175.974.6000107.7V1 L47 L51 S67 V68 C70 V84 L86 L106V1-L61 HydrophobicContact CG2-CD2 4.33Å; L47-L61 HydrophobicContact CB-CD2 4.35Å; L47-L61 HydrophobicContact CD2-CD2 4.42Å; L51-L61 HydrophobicContact CD2-CB 4.37Å; L51-L61 HydrophobicContact CD2-CD1 4.25Å; L51-L61 HydrophobicContact CG-CD1 4.31Å; L61-S67 WeakPolarHBondContact O-CA 3.41Å; L61-V68 HydrophobicContact CB-CG1 4Å; L61-V68 PolarHBondContact N-O 2.92Å; L61-V68 PolarHBondContact O-N 2.86Å; L61-C70 VanDerWaalsContact CB-SG 3.58Å; L61-V84 HydrophobicContact CD1-CG2 4.07Å; L61-L86 HydrophobicContact CD1-CD1 3.99Å; L61-L86 HydrophobicContact CD2-CD1 3.63Å; L61-L86 HydrophobicContact CG-CD1 4.37Å; L61-L106 HydrophobicContact CD2-CD1 4.04Å
62E82.5Confident74.8Confident56 Ų5645.4 Ų45.426%0.26226%0.261SS..EExtended strand (participates in β ladder)trans-118.4133.9-178.4-50.5-160.214400110.6W50 R52 R60 G66 S67W50-E62 PolarHBondContact N-O 3.03Å; W50-E62 PolarHBondContact O-N 3.16Å; R52-E62 HydrophobicContact CB-CG 4.38Å; R52-E62 WeakPolarHBondContact CD-OE2 3.41Å; R60-E62 HydrophobicContact CB-CG 4.18Å; E62-G66 WeakPolarHBondContact CA-O 3.48Å; E62-S67 WeakPolarHBondContact CG-OG 3.25Å; E62-S67 WeakPolarHBondContact OE1-CB 3.48Å; E62-S67 PolarHBondContact OE1-OG 3.46Å
63D82.6Confident74.6Confident51 Ų5141.8 Ų41.827%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-127.4-179.5166.868.711.6000110V1 S65 G66V1-D63 HydrophobicContact CG2-CB 4.35Å; V1-D63 WeakPolarHBondContact CG2-OD2 3.4Å; V1-D63 PolarHBondContact N-OD2 2.9Å; D63-S65 PolarHBondContact O-N 2.82Å; D63-S65 VanDerWaalsContact OD1-CA 3.28Å; D63-S65 WeakPolarHBondContact OD1-CA 3.4Å; D63-S65 VanDerWaalsContact OD1-CB 3.28Å; D63-S65 WeakPolarHBondContact OD1-CB 2.92Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 PolarHBondContact OD1-OG 3Å; D63-S65 PolarHBondContact OD2-OG 3.22Å; D63-S65 VanDerWaalsContact OD2-OG 3.13Å; D63-G66 PolarHBondContact N-O 3.14Å; D63-G66 PolarHBondContact O-N 3.13Å; D63-G66 PolarHBondContact OD1-N 2.95Å
64G74Confident74.6Confident97 Ų9742.6 Ų42.6100%125%0.254SS*.THydrogen-bonded Turntrans-63.3-7.6177.300000114.4
65S76.1Confident74.6Confident62 Ų6242.7 Ų42.743%0.43425%0.252SS..THydrogen-bonded Turntrans-101.1-29-178.778.90000113.4V1 S2 D63V1-S65 PolarHBondContact N-OG 2.74Å; V1-S65 VanDerWaalsContact N-OG 3.08Å; S2-S65 PolarHBondContact N-OG 3.02Å; S2-S65 VanDerWaalsContact OG-C 3.26Å; S2-S65 PolarHBondContact OG-O 3.21Å; D63-S65 PolarHBondContact O-N 2.82Å; D63-S65 VanDerWaalsContact OD1-CA 3.28Å; D63-S65 WeakPolarHBondContact OD1-CA 3.4Å; D63-S65 VanDerWaalsContact OD1-CB 3.28Å; D63-S65 WeakPolarHBondContact OD1-CB 2.92Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 PolarHBondContact OD1-OG 3Å; D63-S65 PolarHBondContact OD2-OG 3.22Å; D63-S65 VanDerWaalsContact OD2-OG 3.13Å
66G79.6Confident74.7Confident24 Ų2433 Ų3325%0.24722%0.218CC..EExtended strand (participates in β ladder)trans173.8-175.6-176.900000114.5E62 D63E62-G66 WeakPolarHBondContact CA-O 3.48Å; D63-G66 PolarHBondContact N-O 3.14Å; D63-G66 PolarHBondContact O-N 3.13Å; D63-G66 PolarHBondContact OD1-N 2.95Å
67S83.2Confident74.8Confident45 Ų4532.8 Ų32.832%0.31521%0.211SC..EExtended strand (participates in β ladder)trans-130.5136.4-178.4-179.50000109.5L61 E62L61-S67 WeakPolarHBondContact O-CA 3.41Å; E62-S67 WeakPolarHBondContact CG-OG 3.25Å; E62-S67 WeakPolarHBondContact OE1-CB 3.48Å; E62-S67 PolarHBondContact OE1-OG 3.46Å
68V83.2Confident74.7Confident6 Ų636.4 Ų36.44%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-134.2140.817762.20000110.4V1 L5 R60 L61 L106V1-V68 HydrophobicContact CG1-CB 3.88Å; V1-V68 HydrophobicContact CG1-CG1 3.82Å; V1-V68 HydrophobicContact CG2-CG1 4.28Å; L5-V68 HydrophobicContact CD2-CG2 4.05Å; R60-V68 CarbonylContact C-O 3.59Å; R60-V68 VanDerWaalsContact CA-O 3.27Å; R60-V68 WeakPolarHBondContact CA-O 3.47Å; L61-V68 HydrophobicContact CB-CG1 4Å; L61-V68 PolarHBondContact N-O 2.92Å; L61-V68 PolarHBondContact O-N 2.86Å; V68-L106 HydrophobicContact CG1-CD1 3.54Å; V68-L106 HydrophobicContact CG1-CG 4.27Å; V68-L106 HydrophobicContact CG2-CD1 4.46Å; V68-L106 HydrophobicContact CG2-CG 4.3Å
69R82.7Confident74.6Confident41 Ų4136.3 Ų36.316%0.15523%0.226CC..EExtended strand (participates in β ladder)trans-69.7141.6178.4-179.6172.3168.7-175.8-15.2111.3E58 E71 H105 L106 R304E58-R69 IonicContact OE1-CZ 3.04Å; E58-R69 VanDerWaalsContact OE1-CZ 3.24Å; E58-R69 IonicContact OE1-NE 3.99Å; E58-R69 IonicContact OE1-NH1 3.75Å; E58-R69 PolarHBondContact OE1-NH1 2.04Å; R69-E71 IonicContact CZ-OE1 3.32Å; R69-E71 VanDerWaalsContact CZ-OE1 3.27Å; R69-E71 IonicContact NE-OE1 2.78Å; R69-E71 PolarHBondContact NE-OE1 2.75Å; R69-E71 IonicContact NH2-OE1 3.82Å; R69-E71 PolarHBondContact NH2-OE1 2.8Å; R69-H105 HydrophobicContact CB-CB 4.19Å; R69-H105 HydrophobicContact CG-CB 4.39Å; R69-H105 CarbonylContact O-C 3.59Å; R69-H105 WeakPolarHBondContact O-CA 3.48Å; R69-L106 PolarHBondContact O-N 3.45Å; R69-R304 PolarHBondContact NH2-O 3Å
70C80.4Confident74.3Confident2 Ų237.6 Ų37.61%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-123.2134.4177.8-57.90000111.6W59 L61 L72 L106W59-C70 HydrophobicContact CB-CB 4.11Å; W59-C70 PolarHBondContact O-N 3.14Å; L61-C70 VanDerWaalsContact CB-SG 3.58Å; C70-L72 HydrophobicContact CB-CD1 4.13Å; C70-L106 CarbonylContact C-O 3.47Å; C70-L106 VanDerWaalsContact CA-O 3.3Å; C70-L106 WeakPolarHBondContact CA-O 3.25Å
71E80.6Confident73.7Confident32 Ų3239.5 Ų39.515%0.1525%0.248CC..EExtended strand (participates in β ladder)trans-107.3133.9168.9-64.5-63.7154.100108.7R69 L106 E107 L108 R305 F346R69-E71 IonicContact CZ-OE1 3.32Å; R69-E71 VanDerWaalsContact CZ-OE1 3.27Å; R69-E71 IonicContact NE-OE1 2.78Å; R69-E71 PolarHBondContact NE-OE1 2.75Å; R69-E71 IonicContact NH2-OE1 3.82Å; R69-E71 PolarHBondContact NH2-OE1 2.8Å; E71-L106 PolarHBondContact N-O 2.6Å; E71-E107 WeakPolarHBondContact O-CA 3Å; E71-L108 PolarHBondContact O-N 2.79Å; E71-R305 HydrophobicContact CG-CG 4.45Å; E71-F346 HydrophobicContact CB-CE1 4.42Å; E71-F346 HydrophobicContact CB-CZ 4.1Å
72L75.3Confident73Confident25 Ų2544.5 Ų44.513%0.13127%0.266CS..EExtended strand (participates in β ladder)trans-130.5135.7-173.4-58.995.1000109.9W59 C70 P75 W79 L108W59-L72 HydrophobicContact CB-CD1 3.48Å; W59-L72 VanDerWaalsContact CB-CD1 3.48Å; W59-L72 HydrophobicContact CD2-CD1 4.06Å; W59-L72 HydrophobicContact CG-CD1 3.42Å; W59-L72 VanDerWaalsContact CG-CD1 3.42Å; C70-L72 HydrophobicContact CB-CD1 4.13Å; L72-P75 HydrophobicContact CB-CB 4.26Å; L72-P75 HydrophobicContact CB-CG 4.48Å; L72-P75 HydrophobicContact CD2-CB 4.4Å; L72-W79 HydrophobicContact CD2-CE3 3.79Å; L72-W79 HydrophobicContact CD2-CZ3 3.53Å; L72-L108 HydrophobicContact CD2-CD1 3.67Å; L72-L108 HydrophobicContact CG-CB 4.36Å; L72-L108 HydrophobicContact CG-CD1 3.89Å; L72-L108 HydrophobicContact CG-CG 4.3Å
73T70.4Confident72.7Confident29 Ų2944.4 Ų44.418%0.17827%0.267CS..SBendtrans-73.3-30.817550.40000112.7R342 F346T73-R342 PolarHBondContact O-NE 3.33Å; T73-R342 PolarHBondContact O-NH2 3.01Å; T73-F346 HydrophobicContact CG2-CD2 3.86Å; T73-F346 HydrophobicContact CG2-CE1 4.23Å; T73-F346 HydrophobicContact CG2-CE2 3.52Å; T73-F346 HydrophobicContact CG2-CG 4.39Å; T73-F346 HydrophobicContact CG2-CZ 3.73Å
74S65.8Low72.6Confident60 Ų6042 Ų4242%0.4225%0.254SS..SBendtrans-146.368.3-177.860.30000113.1S76 W79S74-S76 PolarHBondContact O-N 3.32Å; S74-W79 WeakPolarHBondContact O-CH2 3.23Å; S74-W79 WeakPolarHBondContact O-CZ3 3.4Å
75P65.3Low73Confident16 Ų1639.6 Ų39.610%0.10422%0.217CC..  trans-58.4129.5178.921.5-35.8000114.6W59 L72 C192W59-P75 HydrophobicContact CZ2-CB 3.82Å; L72-P75 HydrophobicContact CB-CB 4.26Å; L72-P75 HydrophobicContact CB-CG 4.48Å; L72-P75 HydrophobicContact CD2-CB 4.4Å; P75-C192 WeakPolarHBondContact CD-SG 3.31Å
76S60.2Low73.3Confident20 Ų2036.8 Ų36.814%0.1420%0.197CC..  trans-109.7130.2167-174.80000111.2W59 S74 Q78 W79 R189W59-S76 WeakPolarHBondContact CH2-O 3.09Å; S74-S76 PolarHBondContact O-N 3.32Å; S76-Q78 PolarHBondContact O-N 2.92Å; S76-Q78 PolarHBondContact OG-N 2.72Å; S76-W79 VanDerWaalsContact CB-CE2 3.5Å; S76-W79 VanDerWaalsContact N-CE3 3.33Å; S76-W79 VanDerWaalsContact N-CZ3 3.33Å; S76-W79 VanDerWaalsContact O-CB 3.23Å; S76-W79 WeakPolarHBondContact O-CB 3.38Å; S76-W79 PolarHBondContact O-N 2.89Å; S76-R189 PolarHBondContact OG-NH2 3.27Å
77P56.8Low73.2Confident32 Ų3236.2 Ų36.221%0.20819%0.189CC..G310 helixtrans-71.4-7.4175.232.9-39.3000112.6W79 M80 R189P77-W79 PolarHBondContact O-N 3.47Å; P77-M80 VanDerWaalsContact O-CB 3.3Å; P77-M80 WeakPolarHBondContact O-CB 3.33Å; P77-M80 PolarHBondContact O-N 2.84Å; P77-M80 VanDerWaalsContact O-N 3.09Å; P77-R189 VanDerWaalsContact CD-CD 3.48Å; P77-R189 VanDerWaalsContact CG-CD 3.46Å; P77-R189 HydrophobicContact CG-CG 3.97Å
78Q58.7Low73.2Confident75 Ų7536.3 Ų36.335%0.3518%0.184SC..G310 helixtrans-59.8-23.5163.9-69.6173.8-1.800111.5S76 R82 L114S76-Q78 PolarHBondContact O-N 2.92Å; S76-Q78 PolarHBondContact OG-N 2.72Å; Q78-R82 WeakPolarHBondContact O-CG 3.49Å; Q78-L114 HydrophobicContact CB-CD1 4.23Å
79W69.8Low73.3Confident25 Ų2536 Ų3610%0.09518%0.182CC..G310 helixtrans-82.7-16.1177.4-47.6-24.6000112.8L51 W59 L72 S74 S76 P77 N81 R82 V84 P112 L114L51-W79 HydrophobicContact CD1-CB 3.95Å; W59-W79 HydrophobicContact CH2-CB 4.49Å; W59-W79 HydrophobicContact CZ3-CB 4.36Å; L72-W79 HydrophobicContact CD2-CE3 3.79Å; L72-W79 HydrophobicContact CD2-CZ3 3.53Å; S74-W79 WeakPolarHBondContact O-CH2 3.23Å; S74-W79 WeakPolarHBondContact O-CZ3 3.4Å; S76-W79 VanDerWaalsContact CB-CE2 3.5Å; S76-W79 VanDerWaalsContact N-CE3 3.33Å; S76-W79 VanDerWaalsContact N-CZ3 3.33Å; S76-W79 VanDerWaalsContact O-CB 3.23Å; S76-W79 WeakPolarHBondContact O-CB 3.38Å; S76-W79 PolarHBondContact O-N 2.89Å; P77-W79 PolarHBondContact O-N 3.47Å; W79-N81 PolarHBondContact O-N 3.05Å; W79-R82 PolarHBondContact O-N 3.46Å; W79-V84 HydrophobicContact CB-CG1 4.48Å; W79-P112 HydrophobicContact CB-CG 4.43Å; W79-P112 HydrophobicContact CD2-CG 3.29Å; W79-P112 HydrophobicContact CE3-CG 3.65Å; W79-P112 HydrophobicContact CG-CG 3.65Å; W79-P112 HydrophobicContact CH2-CG 4.17Å; W79-P112 VanDerWaalsContact CZ2-CD 3.49Å; W79-P112 HydrophobicContact CZ2-CG 3.88Å; W79-P112 HydrophobicContact CZ3-CG 4.05Å; W79-L114 HydrophobicContact CB-CD2 4.35Å; W79-L114 VanDerWaalsContact CD1-CD2 3.49Å; W79-L114 HydrophobicContact CG-CD2 4.27Å
80M68.8Low73.5Confident35 Ų3534.2 Ų34.217%0.17218%0.176CC..THydrogen-bonded Turntrans-67.2130.8-175.5-175.257.46900111A53 W59 P77 R82 I185A53-M80 HydrophobicContact CB-CE 4.26Å; A53-M80 HydrophobicContact CB-SD 4.23Å; W59-M80 HydrophobicContact CD2-CE 4.35Å; W59-M80 HydrophobicContact CE3-CE 3.9Å; W59-M80 HydrophobicContact CH2-CB 4.24Å; W59-M80 HydrophobicContact CH2-CE 3.59Å; W59-M80 HydrophobicContact CZ2-CE 4.03Å; W59-M80 HydrophobicContact CZ3-CB 4.36Å; W59-M80 HydrophobicContact CZ3-CE 3.5Å; W59-M80 HydrophobicContact CZ3-SD 4.28Å; P77-M80 VanDerWaalsContact O-CB 3.3Å; P77-M80 WeakPolarHBondContact O-CB 3.33Å; P77-M80 PolarHBondContact O-N 2.84Å; P77-M80 VanDerWaalsContact O-N 3.09Å; M80-R82 PolarHBondContact O-N 3.25Å; M80-R82 VanDerWaalsContact O-N 3.17Å; M80-I185 HydrophobicContact CE-CB 3.7Å; M80-I185 HydrophobicContact CE-CD1 3.94Å; M80-I185 HydrophobicContact CE-CG1 4.4Å; M80-I185 HydrophobicContact CE-CG2 3.14Å
81N67.3Low73.7Confident97 Ų9734.2 Ų34.252%0.51918%0.175SC..THydrogen-bonded Turntrans54.528.2-177.4-61-33.2000113.4W50 L51 W79W50-N81 VanDerWaalsContact CZ3-O 3.3Å; W50-N81 WeakPolarHBondContact CZ3-O 3.23Å; L51-N81 PolarHBondContact O-N 3Å; W79-N81 PolarHBondContact O-N 3.05Å
82R69.8Low73.8Confident104 Ų10433.3 Ų33.339%0.39217%0.172SC..SBendtrans-111.6149.2172-66.5-65.9-170.9145.44.7109.9W50 L51 Q78 W79 M80 V84 L114 P117W50-R82 WeakPolarHBondContact CA-O 3.33Å; L51-R82 PolarHBondContact N-O 3.42Å; Q78-R82 WeakPolarHBondContact O-CG 3.49Å; W79-R82 PolarHBondContact O-N 3.46Å; M80-R82 PolarHBondContact O-N 3.25Å; M80-R82 VanDerWaalsContact O-N 3.17Å; R82-V84 PolarHBondContact O-N 3.09Å; R82-L114 HydrophobicContact CB-CD2 4.07Å; R82-L114 HydrophobicContact CG-CD2 4.45Å; R82-P117 PolarHBondContact NH2-O 2.97Å
83L76.5Confident73.8Confident54 Ų5433.5 Ų33.528%0.28317%0.174SC..EExtended strand (participates in β ladder)trans-71.5124.5166.8-171.272000108.1I48 W50 L115I48-L83 HydrophobicContact CG2-CD1 3.97Å; I48-L83 HydrophobicContact CG2-CG 4.29Å; W50-L83 HydrophobicContact CD2-CB 4.42Å; W50-L83 HydrophobicContact CD2-CD1 4.41Å; W50-L83 HydrophobicContact CG-CD1 4.39Å; W50-L83 HydrophobicContact CH2-CB 4.45Å; W50-L83 HydrophobicContact CZ2-CB 4.24Å; W50-L83 HydrophobicContact CZ2-CD1 4.47Å; L83-L115 HydrophobicContact CD2-CD1 3.86Å; L83-L115 HydrophobicContact CG-CD1 4.16Å; L83-L115 PolarHBondContact O-N 2.94Å
84V81.3Confident73.7Confident0 Ų037.5 Ų37.50%019%0.191CC..EExtended strand (participates in β ladder)trans-123.9147.7-179.4-64.50000111.2I48 G49 L51 L61 W79 R82 L86 P112 L114I48-V84 WeakPolarHBondContact CA-O 3.3Å; G49-V84 PolarHBondContact N-O 3.27Å; G49-V84 WeakPolarHBondContact O-CG2 3.3Å; G49-V84 PolarHBondContact O-N 3.32Å; L51-V84 HydrophobicContact CB-CG2 4.43Å; L51-V84 HydrophobicContact CD1-CB 4.49Å; L51-V84 HydrophobicContact CD1-CG1 4.17Å; L51-V84 HydrophobicContact CD1-CG2 3.72Å; L51-V84 HydrophobicContact CG-CG2 3.66Å; L61-V84 HydrophobicContact CD1-CG2 4.07Å; W79-V84 HydrophobicContact CB-CG1 4.48Å; R82-V84 PolarHBondContact O-N 3.09Å; V84-L86 HydrophobicContact CG2-CD2 4.36Å; V84-L86 HydrophobicContact CG2-CG 4.43Å; V84-P112 HydrophobicContact CB-CB 3.83Å; V84-P112 HydrophobicContact CG1-CB 3.97Å; V84-P112 HydrophobicContact CG1-CG 4.49Å; V84-P112 HydrophobicContact CG2-CB 4.37Å; V84-L114 HydrophobicContact CG1-CD2 3.82Å
85F80.8Confident73.2Confident48 Ų4842 Ų4221%0.21121%0.21CC..EExtended strand (participates in β ladder)trans-102.1134.4164.8172.4-118.4000109.6L16 L46 I48 P87 P112 D113L16-F85 HydrophobicContact CD1-CE1 4.39Å; L16-F85 HydrophobicContact CD1-CE2 4.24Å; L16-F85 HydrophobicContact CD1-CZ 3.52Å; L46-F85 HydrophobicContact CB-CE2 4.42Å; L46-F85 HydrophobicContact CD2-CE2 3.52Å; L46-F85 HydrophobicContact CD2-CZ 3.66Å; I48-F85 HydrophobicContact CD1-CD2 4.4Å; I48-F85 HydrophobicContact CG1-CD2 3.75Å; F85-P87 HydrophobicContact CD1-CB 4.38Å; F85-P87 HydrophobicContact CE1-CB 3.79Å; F85-P87 HydrophobicContact CE1-CG 4.38Å; F85-P87 HydrophobicContact CZ-CB 4.3Å; F85-P87 VanDerWaalsContact O-CD 3.25Å; F85-P87 WeakPolarHBondContact O-CD 3.22Å; F85-P112 WeakPolarHBondContact O-CA 3.37Å; F85-D113 HydrophobicContact CB-CB 4.29Å; F85-D113 HydrophobicContact CD1-CB 4.25Å; F85-D113 WeakPolarHBondContact CD1-OD2 3.43Å; F85-D113 PolarHBondContact N-O 3.16Å; F85-D113 PolarHBondContact O-N 3.29Å
86L83.2Confident72.1Confident2 Ų244 Ų441%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-111.493.1-177.7-63.3174.9000110.4L47 L61 V84 H88 W89 L108 P112L47-L86 HydrophobicContact CB-CB 4.1Å; L47-L86 HydrophobicContact CB-CD1 4.28Å; L47-L86 PolarHBondContact O-N 3.43Å; L61-L86 HydrophobicContact CD1-CD1 3.99Å; L61-L86 HydrophobicContact CD2-CD1 3.63Å; L61-L86 HydrophobicContact CG-CD1 4.37Å; V84-L86 HydrophobicContact CG2-CD2 4.36Å; V84-L86 HydrophobicContact CG2-CG 4.43Å; L86-H88 VanDerWaalsContact C-N 3.34Å; L86-W89 VanDerWaalsContact O-CD1 3.27Å; L86-L108 HydrophobicContact CD1-CD1 4.47Å; L86-L108 HydrophobicContact CD1-CD2 3.78Å; L86-L108 HydrophobicContact CD2-CD1 3.7Å; L86-L108 HydrophobicContact CD2-CD2 3.88Å; L86-L108 HydrophobicContact CD2-CG 4.42Å; L86-L108 HydrophobicContact CG-CD2 4.32Å; L86-P112 HydrophobicContact CD2-CB 3.74Å
87P76.4Confident71Confident12 Ų1252.7 Ų52.78%0.07827%0.272CS..SBendtrans-76.9-19.2-178.828.6-34.6000114.1L16 F85L16-P87 HydrophobicContact CD1-CB 4.37Å; L16-P87 PolarHBondContact N-O 3.32Å; F85-P87 HydrophobicContact CD1-CB 4.38Å; F85-P87 HydrophobicContact CE1-CB 3.79Å; F85-P87 HydrophobicContact CE1-CG 4.38Å; F85-P87 HydrophobicContact CZ-CB 4.3Å; F85-P87 VanDerWaalsContact O-CD 3.25Å; F85-P87 WeakPolarHBondContact O-CD 3.22Å
88H83.6Confident70Confident47 Ų4753.4 Ų53.422%0.21829%0.285CS..EExtended strand (participates in β ladder)trans-139.5110.3-170.9-50.6-47.3000111.8S14 N15 S17 L86 I109S14-H88 WeakPolarHBondContact O-CA 3.3Å; N15-H88 PolarHBondContact ND2-ND1 3.12Å; N15-H88 PolarHBondContact OD1-CE1 3.17Å; N15-H88 PolarHBondContact OD1-ND1 2.96Å; S17-H88 PolarHBondContact OG-CE1 3.32Å; L86-H88 VanDerWaalsContact C-N 3.34Å; H88-I109 PolarHBondContact O-N 3.05Å
89W85.6Confident68.7Low0 Ų062.6 Ų62.60%032%0.317CS..EExtended strand (participates in β ladder)trans-156.4154.3-177.753.9-92.9000113.1L4 S14 V43 L45 L47 L86 L106 E107 L108L4-W89 HydrophobicContact CD1-CH2 3.72Å; L4-W89 HydrophobicContact CD1-CZ3 4.16Å; S14-W89 PolarHBondContact N-O 3Å; S14-W89 PolarHBondContact O-N 3.26Å; V43-W89 HydrophobicContact CG2-CH2 3.83Å; V43-W89 HydrophobicContact CG2-CZ3 4.24Å; L45-W89 HydrophobicContact CB-CH2 4.09Å; L45-W89 HydrophobicContact CB-CZ2 3.73Å; L45-W89 HydrophobicContact CD1-CH2 4.37Å; L47-W89 HydrophobicContact CD1-CD2 3.61Å; L47-W89 HydrophobicContact CD1-CE3 4.18Å; L47-W89 HydrophobicContact CD1-CG 4Å; L47-W89 HydrophobicContact CD1-CH2 4.18Å; L47-W89 HydrophobicContact CD1-CZ2 3.57Å; L47-W89 HydrophobicContact CD1-CZ3 4.46Å; L47-W89 HydrophobicContact CG-CZ2 3.89Å; L86-W89 VanDerWaalsContact O-CD1 3.27Å; W89-L106 HydrophobicContact CD2-CD2 4.12Å; W89-L106 HydrophobicContact CE3-CD2 3.62Å; W89-L106 HydrophobicContact CZ3-CD2 4.17Å; W89-E107 CarbonylContact C-O 3.58Å; W89-E107 VanDerWaalsContact CA-O 3.31Å; W89-E107 WeakPolarHBondContact CA-O 3.43Å; W89-L108 HydrophobicContact CB-CD2 3.92Å
90N86.1Confident67.2Low3 Ų364.4 Ų64.42%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-106.8145.4162.5-57-40.8000109.7C12 V13 L40 I92 L106 E107 I109C12-N90 CarbonylContact O-C 3.6Å; C12-N90 VanDerWaalsContact O-CA 3.29Å; C12-N90 WeakPolarHBondContact O-CA 3.27Å; V13-N90 WeakPolarHBondContact CB-OD1 3.29Å; V13-N90 WeakPolarHBondContact CG2-OD1 3.4Å; L40-N90 HydrophobicContact CD1-CB 4.07Å; L40-N90 WeakPolarHBondContact CD1-OD1 3.28Å; N90-I92 HydrophobicContact CB-CD1 4.36Å; N90-L106 CarbonylContact O-C 3.56Å; N90-L106 WeakPolarHBondContact O-CA 3.4Å; N90-E107 HydrophobicContact CB-CB 4.15Å; N90-E107 PolarHBondContact N-O 2.84Å; N90-E107 PolarHBondContact ND2-OE2 2.81Å; N90-E107 PolarHBondContact O-N 3.22Å; N90-I109 HydrophobicContact CB-CD1 4.45Å; N90-I109 WeakPolarHBondContact ND2-CD1 3.45Å; N90-I109 WeakPolarHBondContact OD1-CD1 3.46Å
91Y85.2Confident66Low2 Ų272 Ų721%0.00838%0.378CS..EExtended strand (participates in β ladder)trans-111.6127.2167.9175.2-107.4000109.5L4 L5 Q8 A11 C12 P93 R103 L106L4-Y91 HydrophobicContact CD2-CD2 3.89Å; L4-Y91 HydrophobicContact CD2-CE2 4.24Å; L4-Y91 HydrophobicContact CD2-CG 4.32Å; L4-Y91 HydrophobicContact CG-CD2 4.36Å; L4-Y91 HydrophobicContact CG-CE2 4.49Å; L4-Y91 HydrophobicContact CG-CG 4.5Å; L5-Y91 HydrophobicContact CD2-CE2 3.85Å; L5-Y91 WeakPolarHBondContact CD2-OH 3.21Å; Q8-Y91 HydrophobicContact CB-CD1 4.11Å; Q8-Y91 HydrophobicContact CB-CE1 4.02Å; Q8-Y91 VanDerWaalsContact O-CE1 3.31Å; Q8-Y91 WeakPolarHBondContact O-CE1 3.47Å; A11-Y91 CarbonylContact C-O 3.54Å; A11-Y91 WeakPolarHBondContact CA-O 3.29Å; C12-Y91 PolarHBondContact N-O 3.24Å; C12-Y91 PolarHBondContact O-N 3.09Å; Y91-P93 HydrophobicContact CE1-CB 4.33Å; Y91-R103 PolarHBondContact OH-O 3.29Å; Y91-L106 HydrophobicContact CD2-CD2 4Å; Y91-L106 HydrophobicContact CD2-CG 4.42Å; Y91-L106 HydrophobicContact CG-CD2 4.49Å
92I83.8Confident65.3Low14 Ų1471.5 Ų71.57%0.07238%0.375CS..EExtended strand (participates in β ladder)trans-116.8112.4179.5-51.7-52.6000108.3A11 L40 N90 G104 H105 E107A11-I92 HydrophobicContact CB-CD1 4.06Å; L40-I92 HydrophobicContact CD2-CD1 4.36Å; N90-I92 HydrophobicContact CB-CD1 4.36Å; I92-G104 CarbonylContact O-C 3.54Å; I92-G104 WeakPolarHBondContact O-CA 3.42Å; I92-H105 PolarHBondContact N-O 2.83Å; I92-H105 PolarHBondContact O-N 3.18Å; I92-E107 HydrophobicContact CG1-CG 4.2Å
93P74.8Confident65Low28 Ų2874.6 Ų74.618%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-66.9155.2177.430-35.3000110.4Y91Y91-P93 HydrophobicContact CE1-CB 4.33Å
94H67.5Low64.8Low114 Ų11472.5 Ų72.553%0.52838%0.378SS..  trans-87.7123174.6-165.560.6000109.8A96 D102H94-A96 PolarHBondContact O-N 3.17Å; H94-D102 WeakPolarHBondContact CB-O 3.4Å
95D55.3Low64.9Low153 Ų15374.4 Ų74.482%0.81839%0.387SS*.  trans-83.192.4170.5-75.9-28000109
96A41.9Very low65Low59 Ų5972.1 Ų72.149%0.48838%0.377SS..  trans-145.2118.9167.100000112.8H94 G98H94-A96 PolarHBondContact O-N 3.17Å; A96-G98 PolarHBondContact O-N 3.27Å
97L37.8Very low65.2Low202 Ų20272 Ų72100%1.05838%0.376SS*.SBendtrans-66.921.4159-78152000112.8
98G35.9Very low65.4Low48 Ų4871.6 Ų71.650%0.49537%0.373SS..SBendtrans-123.8140.9-174.600000112.6A96 G100A96-G98 PolarHBondContact O-N 3.27Å; G98-G100 PolarHBondContact O-N 3.1Å
99R31.1Very low65.2Low268 Ų26872.9 Ų72.9100%1.01138%0.381SS*.  trans-64.326.3-176.5-85-177.1171.7-164.9-1.2116.3
100G39.3Very low64.5Low62 Ų6274.2 Ų74.264%0.63939%0.394SS*.  trans-86.7140.8176.800000112.9G98 D102G98-G100 PolarHBondContact O-N 3.1Å; G100-D102 VanDerWaalsContact C-N 3.34Å; G100-D102 PolarHBondContact O-N 3.11Å; G100-D102 VanDerWaalsContact O-N 3.16Å
101Q43.6Very low63.7Low196 Ų19677.7 Ų77.792%0.91642%0.419SS*.SBendtrans-70.9-0.2-165.7-82.3178.4-24.500118R103Q101-R103 PolarHBondContact O-N 3.21Å
102D52.8Low63.2Low85 Ų8578 Ų7846%0.45542%0.421SS..  trans-93.1107.3-175.3-86.4-18000112.4H94 G100 G104H94-D102 WeakPolarHBondContact CB-O 3.4Å; G100-D102 VanDerWaalsContact C-N 3.34Å; G100-D102 PolarHBondContact O-N 3.11Å; G100-D102 VanDerWaalsContact O-N 3.16Å; D102-G104 VanDerWaalsContact C-N 3.32Å; D102-G104 PolarHBondContact O-N 3.35Å
103R62Low62.9Low170 Ų17081.1 Ų81.164%0.64244%0.438SS*.  trans-80.32.1-176-67.7-172.7178.5-168.90.9115.3L5 Y91 Q101L5-R103 HydrophobicContact CD2-CB 4.14Å; Y91-R103 PolarHBondContact OH-O 3.29Å; Q101-R103 PolarHBondContact O-N 3.21Å
104G73.4Confident62.5Low9 Ų983 Ų839%0.09345%0.447CS..EExtended strand (participates in β ladder)trans139.2177.1-176.500000113.3I92 D102I92-G104 CarbonylContact O-C 3.54Å; I92-G104 WeakPolarHBondContact O-CA 3.42Å; D102-G104 VanDerWaalsContact C-N 3.32Å; D102-G104 PolarHBondContact O-N 3.35Å
105H82.3Confident62.4Low41 Ų4182.8 Ų82.819%0.1945%0.449CS..EExtended strand (participates in β ladder)trans-137.2155.5176.467.5-77.9000113R69 I92R69-H105 HydrophobicContact CB-CB 4.19Å; R69-H105 HydrophobicContact CG-CB 4.39Å; R69-H105 CarbonylContact O-C 3.59Å; R69-H105 WeakPolarHBondContact O-CA 3.48Å; I92-H105 PolarHBondContact N-O 2.83Å; I92-H105 PolarHBondContact O-N 3.18Å
106L84.3Confident61.9Low0 Ų077.9 Ų77.90%043%0.434CS..EExtended strand (participates in β ladder)trans-98.2136.4175-75.3170.1000110.8L4 L47 L61 V68 R69 C70 E71 W89 N90 Y91L4-L106 HydrophobicContact CD2-CD2 3.98Å; L47-L106 HydrophobicContact CD1-CD1 3.83Å; L47-L106 HydrophobicContact CD1-CD2 3.87Å; L61-L106 HydrophobicContact CD2-CD1 4.04Å; V68-L106 HydrophobicContact CG1-CD1 3.54Å; V68-L106 HydrophobicContact CG1-CG 4.27Å; V68-L106 HydrophobicContact CG2-CD1 4.46Å; V68-L106 HydrophobicContact CG2-CG 4.3Å; R69-L106 PolarHBondContact O-N 3.45Å; C70-L106 CarbonylContact C-O 3.47Å; C70-L106 VanDerWaalsContact CA-O 3.3Å; C70-L106 WeakPolarHBondContact CA-O 3.25Å; E71-L106 PolarHBondContact N-O 2.6Å; W89-L106 HydrophobicContact CD2-CD2 4.12Å; W89-L106 HydrophobicContact CE3-CD2 3.62Å; W89-L106 HydrophobicContact CZ3-CD2 4.17Å; N90-L106 CarbonylContact O-C 3.56Å; N90-L106 WeakPolarHBondContact O-CA 3.4Å; Y91-L106 HydrophobicContact CD2-CD2 4Å; Y91-L106 HydrophobicContact CD2-CG 4.42Å; Y91-L106 HydrophobicContact CG-CD2 4.49Å
107E85.9Confident61.7Low0 Ų080.4 Ų80.40%045%0.446CS..EExtended strand (participates in β ladder)trans-108.5119.1168.7-56.9179.1140.400109.2E71 W89 N90 I92 R305 R308 F346E71-E107 WeakPolarHBondContact O-CA 3Å; W89-E107 CarbonylContact C-O 3.58Å; W89-E107 VanDerWaalsContact CA-O 3.31Å; W89-E107 WeakPolarHBondContact CA-O 3.43Å; N90-E107 HydrophobicContact CB-CB 4.15Å; N90-E107 PolarHBondContact N-O 2.84Å; N90-E107 PolarHBondContact ND2-OE2 2.81Å; N90-E107 PolarHBondContact O-N 3.22Å; I92-E107 HydrophobicContact CG1-CG 4.2Å; E107-R305 IonicContact OE1-CZ 3.32Å; E107-R305 IonicContact OE1-NE 3.05Å; E107-R305 PolarHBondContact OE1-NE 3.3Å; E107-R305 IonicContact OE1-NH2 2.79Å; E107-R305 PolarHBondContact OE1-NH2 3.48Å; E107-R308 IonicContact OE1-CZ 2.94Å; E107-R308 IonicContact OE1-NE 2.86Å; E107-R308 IonicContact OE1-NH2 3.83Å; E107-R308 PolarHBondContact OE1-NH2 3.19Å; E107-R308 IonicContact OE2-NH2 3.28Å; E107-R308 PolarHBondContact OE2-NH2 3.04Å; E107-F346 HydrophobicContact CB-CD1 4.42Å; E107-F346 HydrophobicContact CB-CD2 3.62Å; E107-F346 HydrophobicContact CB-CE2 3.74Å; E107-F346 HydrophobicContact CB-CG 3.96Å; E107-F346 HydrophobicContact CB-CZ 4.21Å; E107-F346 HydrophobicContact CG-CD1 4.41Å; E107-F346 HydrophobicContact CG-CD2 4.44Å; E107-F346 HydrophobicContact CG-CG 4.34Å
108L82Confident61.6Low3 Ų379.4 Ų79.42%0.01643%0.428CS..EExtended strand (participates in β ladder)trans-89.5110.6-178.3-57.9-172000110.5E71 L72 L86 W89 F346E71-L108 PolarHBondContact O-N 2.79Å; L72-L108 HydrophobicContact CD2-CD1 3.67Å; L72-L108 HydrophobicContact CG-CB 4.36Å; L72-L108 HydrophobicContact CG-CD1 3.89Å; L72-L108 HydrophobicContact CG-CG 4.3Å; L86-L108 HydrophobicContact CD1-CD1 4.47Å; L86-L108 HydrophobicContact CD1-CD2 3.78Å; L86-L108 HydrophobicContact CD2-CD1 3.7Å; L86-L108 HydrophobicContact CD2-CD2 3.88Å; L86-L108 HydrophobicContact CD2-CG 4.42Å; L86-L108 HydrophobicContact CG-CD2 4.32Å; W89-L108 HydrophobicContact CB-CD2 3.92Å; L108-F346 WeakPolarHBondContact O-CE2 3.33Å
109I78.7Confident61.3Low74 Ų7481.2 Ų81.238%0.37944%0.438SS..  trans-88.9-15.5-174.2-40.6167.8000111.3V13 H88 N90V13-I109 HydrophobicContact CG2-CD1 4.16Å; H88-I109 PolarHBondContact O-N 3.05Å; N90-I109 HydrophobicContact CB-CD1 4.45Å; N90-I109 WeakPolarHBondContact ND2-CD1 3.45Å; N90-I109 WeakPolarHBondContact OD1-CD1 3.46Å
110G71.4Confident61.4Low27 Ų2777.8 Ų77.828%0.27843%0.434SS..SBendtrans-134.4167.1176.900000112.2
111S68.7Low61.2Low77 Ų7780 Ų8054%0.53843%0.43SS..PPolyproline II helixtrans-66.5135175.649.60000111.1
112P75.6Confident61.1Low8 Ų873.5 Ų73.55%0.05242%0.416CS..PPolyproline II helixtrans-63.7142.7170.324.5-31.7000111.3L51 W79 V84 F85 L86L51-P112 HydrophobicContact CD1-CG 4.38Å; W79-P112 HydrophobicContact CB-CG 4.43Å; W79-P112 HydrophobicContact CD2-CG 3.29Å; W79-P112 HydrophobicContact CE3-CG 3.65Å; W79-P112 HydrophobicContact CG-CG 3.65Å; W79-P112 HydrophobicContact CH2-CG 4.17Å; W79-P112 VanDerWaalsContact CZ2-CD 3.49Å; W79-P112 HydrophobicContact CZ2-CG 3.88Å; W79-P112 HydrophobicContact CZ3-CG 4.05Å; V84-P112 HydrophobicContact CB-CB 3.83Å; V84-P112 HydrophobicContact CG1-CB 3.97Å; V84-P112 HydrophobicContact CG1-CG 4.49Å; V84-P112 HydrophobicContact CG2-CB 4.37Å; F85-P112 WeakPolarHBondContact O-CA 3.37Å; L86-P112 HydrophobicContact CD2-CB 3.74Å
113D75.9Confident60.4Low79 Ų7977.9 Ų77.942%0.42244%0.438SS..EExtended strand (participates in β ladder)trans-81.1119.1170.4-65.6-39000109.1F85F85-D113 HydrophobicContact CB-CB 4.29Å; F85-D113 HydrophobicContact CD1-CB 4.25Å; F85-D113 WeakPolarHBondContact CD1-OD2 3.43Å; F85-D113 PolarHBondContact N-O 3.16Å; F85-D113 PolarHBondContact O-N 3.29Å
114L67.4Low59.6Low69 Ų6971.5 Ų71.536%0.36142%0.422SS..EExtended strand (participates in β ladder)trans-83.8134.2-178.9-72.3170000111.5Q78 W79 R82 V84Q78-L114 HydrophobicContact CB-CD1 4.23Å; W79-L114 HydrophobicContact CB-CD2 4.35Å; W79-L114 VanDerWaalsContact CD1-CD2 3.49Å; W79-L114 HydrophobicContact CG-CD2 4.27Å; R82-L114 HydrophobicContact CB-CD2 4.07Å; R82-L114 HydrophobicContact CG-CD2 4.45Å; V84-L114 HydrophobicContact CG1-CD2 3.82Å
115L64.6Low58.7Low109 Ų10975.3 Ų75.357%0.57144%0.44SS*.  trans-103.883.6174.5-60170.2000109.6L83L83-L115 HydrophobicContact CD2-CD1 3.86Å; L83-L115 HydrophobicContact CG-CD1 4.16Å; L83-L115 PolarHBondContact O-N 2.94Å
116G44.9Very low57.6Low50 Ų5074.9 Ų74.952%0.51544%0.442SS..SBendtrans154.2168.5170.600000116.9
117P39Very low56.5Low112 Ų11274.9 Ų74.973%0.72744%0.442SS*.  trans-82.4150.9-173.130.9-32.1000114.6R82R82-P117 PolarHBondContact NH2-O 2.97Å
118R34.7Very low55.2Low180 Ų18083.1 Ų83.168%0.67947%0.472SS*.  trans-90.8152.1-171.5-164.4173.2176.7178.5-5.5111.1D229R118-D229 IonicContact NH2-OD2 3.51Å; R118-D229 PolarHBondContact NH2-OD2 3.24Å
119A30.7Very low54.4Low87 Ų8788 Ų8872%0.71950%0.495SS*.  trans-125.3145176.600000111.4
120E32.5Very low53.6Low196 Ų19684.6 Ų84.692%0.91648%0.479SS*.  trans-101.1160.6-172.7-67.3-179.6167.100113.3
121L34.2Very low53.1Low109 Ų10983.6 Ų83.657%0.57147%0.468SS*.  trans-139.4155-164.7-83.2148.7000113.6H226L121-H226 HydrophobicContact CD1-CB 4.13Å; L121-H226 WeakPolarHBondContact CD1-ND1 3.48Å; L121-H226 WeakPolarHBondContact CD2-CE1 3.32Å; L121-H226 WeakPolarHBondContact CD2-ND1 3.37Å; L121-H226 WeakPolarHBondContact CD2-NE2 3.35Å
122G41.8Very low52.8Low59 Ų5981.5 Ų81.561%0.60846%0.458SS*.  trans-105.1-177.9-175.200000116.9
123L38.4Very low52.3Low176 Ų17682.6 Ų82.692%0.92147%0.465SS*.  trans-79.5156.4-158.4-71.3149.5000118
124A45.3Very low51.9Low37 Ų3779.9 Ų79.931%0.30645%0.45SS..  trans-144.9173.9-18000000116.3T199A124-T199 HydrophobicContact CB-CG2 3.15Å
125L54.1Low51.8Low88 Ų8884.8 Ų84.846%0.46146%0.464SS..EExtended strand (participates in β ladder)trans-91.4161.9-173.6-52.9160.5000114S144 V145 W146L125-S144 WeakPolarHBondContact CB-O 3.36Å; L125-S144 WeakPolarHBondContact CG-O 3.47Å; L125-S144 PolarHBondContact N-O 2.97Å; L125-S144 VanDerWaalsContact N-O 3.12Å; L125-V145 CarbonylContact O-C 3.53Å; L125-V145 WeakPolarHBondContact O-CA 3.32Å; L125-W146 WeakPolarHBondContact O-CA 3.49Å; L125-W146 WeakPolarHBondContact O-CB 3.42Å; L125-W146 PolarHBondContact O-N 3.14Å
126S59.4Low51.6Low33 Ų3384.3 Ų84.323%0.23147%0.466CS..EExtended strand (participates in β ladder)trans-83.1158.4-176.9700000116.2R128 E129 A130S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 2.92Å; S126-E129 PolarHBondContact N-OE2 2.95Å; S126-E129 PolarHBondContact O-N 3.25Å; S126-E129 VanDerWaalsContact OG-CD 3.26Å; S126-E129 WeakPolarHBondContact OG-CG 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.46Å; S126-A130 PolarHBondContact O-N 2.87Å
127V61.4Low52Low0 Ų090.3 Ų90.30%047%0.472CS..Hα-helixtrans-56.9-38.1177.9-174.40000112.9E129 A130 A131 W146 L168 D170 V175V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.27Å; V127-A130 PolarHBondContact O-N 3.2Å; V127-A131 PolarHBondContact O-N 3.46Å; V127-W146 WeakPolarHBondContact CG2-O 3.49Å; V127-W146 PolarHBondContact N-O 3.21Å; V127-L168 HydrophobicContact CG2-CB 4.35Å; V127-D170 HydrophobicContact CB-CB 3.63Å; V127-D170 HydrophobicContact CG1-CB 4.14Å; V127-D170 HydrophobicContact CG2-CB 3.83Å; V127-V175 HydrophobicContact CG1-CB 4.38Å; V127-V175 HydrophobicContact CG1-CG2 3.85Å
128R59.1Low53Low172 Ų17288.9 Ų88.965%0.64946%0.462SS*.Hα-helixtrans-63.4-39.8-179.2-174.3177.8178.9179.60.3112.1S126 G132S126-R128 VanDerWaalsContact C-N 3.3Å; S126-R128 PolarHBondContact O-N 2.92Å; R128-G132 PolarHBondContact O-N 3.2Å
129E64.4Low54Low105 Ų10589.5 Ų89.549%0.49146%0.464SS..Hα-helixtrans-69.4-41.5177.2-66.7164.9140.800110.8S126 V127 A131 G132 V133S126-E129 PolarHBondContact N-OE2 2.95Å; S126-E129 PolarHBondContact O-N 3.25Å; S126-E129 VanDerWaalsContact OG-CD 3.26Å; S126-E129 WeakPolarHBondContact OG-CG 3.39Å; S126-E129 PolarHBondContact OG-OE2 3.46Å; V127-E129 VanDerWaalsContact C-N 3.35Å; V127-E129 PolarHBondContact O-N 3.27Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.89Å; E129-G132 PolarHBondContact O-N 3.27Å; E129-G132 VanDerWaalsContact O-N 3.14Å; E129-V133 WeakPolarHBondContact O-CG2 3.16Å; E129-V133 PolarHBondContact O-N 2.87Å; E129-V133 VanDerWaalsContact O-N 3.08Å
130A61.9Low55.3Low4 Ų486.7 Ų86.73%0.03344%0.443CS..Hα-helixtrans-61.3-40.2175.300000112.7S126 V127 G132 V133 L134 V145 L217S126-A130 PolarHBondContact O-N 2.87Å; V127-A130 PolarHBondContact O-N 3.2Å; A130-G132 VanDerWaalsContact C-N 3.31Å; A130-G132 PolarHBondContact O-N 3.1Å; A130-V133 PolarHBondContact O-N 2.86Å; A130-L134 PolarHBondContact O-N 2.79Å; A130-V145 HydrophobicContact CB-CB 4.27Å; A130-V145 HydrophobicContact CB-CG1 3.63Å; A130-V145 HydrophobicContact CB-CG2 3.57Å; A130-L217 HydrophobicContact CB-CD1 4.45Å
131A61.2Low57Low6 Ų681.2 Ų81.25%0.0542%0.418CS..Hα-helixtrans-64.5-35174.800000112.5V127 E129 L134 R135 Q173 V175V127-A131 PolarHBondContact O-N 3.46Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.89Å; A131-L134 PolarHBondContact O-N 2.88Å; A131-R135 WeakPolarHBondContact O-CG 3.49Å; A131-R135 PolarHBondContact O-N 2.81Å; A131-Q173 HydrophobicContact CB-CB 4.34Å; A131-Q173 HydrophobicContact CB-CG 4.36Å; A131-V175 HydrophobicContact CB-CG2 3.74Å
132G61.8Low58.5Low33 Ų3381.8 Ų81.834%0.3441%0.412SS..Hα-helixtrans-63.6-43.617300000112.8R128 E129 A130 L134 R135 T136R128-G132 PolarHBondContact O-N 3.2Å; E129-G132 PolarHBondContact O-N 3.27Å; E129-G132 VanDerWaalsContact O-N 3.14Å; A130-G132 VanDerWaalsContact C-N 3.31Å; A130-G132 PolarHBondContact O-N 3.1Å; G132-L134 VanDerWaalsContact C-N 3.32Å; G132-L134 PolarHBondContact O-N 3.44Å; G132-R135 WeakPolarHBondContact O-CB 3.32Å; G132-R135 PolarHBondContact O-N 3.37Å; G132-R135 VanDerWaalsContact O-N 3.09Å; G132-T136 PolarHBondContact O-N 3.49Å; G132-T136 PolarHBondContact O-OG1 2.9Å
133V65.8Low59.8Low31 Ų3179.6 Ų79.619%0.18839%0.387CS..Hα-helixtrans-63.6-35.4177.5175.40000112.3E129 A130 R135 T136 R137 V143 V205E129-V133 WeakPolarHBondContact O-CG2 3.16Å; E129-V133 PolarHBondContact O-N 2.87Å; E129-V133 VanDerWaalsContact O-N 3.08Å; A130-V133 PolarHBondContact O-N 2.86Å; V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 3.38Å; V133-T136 PolarHBondContact O-N 2.93Å; V133-T136 PolarHBondContact O-OG1 3.21Å; V133-R137 PolarHBondContact O-N 2.95Å; V133-V143 HydrophobicContact CG1-CG1 4.26Å; V133-V205 HydrophobicContact CG1-CG2 3.99Å
134L66.9Low61.2Low21 Ų2172.9 Ų72.911%0.1136%0.355CS..Hα-helixtrans-66.5-28.7174.3-70.6179.2000113.1A130 A131 G132 V175 V205 L217A130-L134 PolarHBondContact O-N 2.79Å; A131-L134 PolarHBondContact O-N 2.88Å; G132-L134 VanDerWaalsContact C-N 3.32Å; G132-L134 PolarHBondContact O-N 3.44Å; L134-V175 HydrophobicContact CD1-CG1 3.56Å; L134-V205 HydrophobicContact CD2-CG1 3.86Å; L134-V205 HydrophobicContact CD2-CG2 4.24Å; L134-L217 HydrophobicContact CD1-CG 4.41Å; L134-L217 HydrophobicContact CD2-CD2 3.98Å; L134-L217 HydrophobicContact CD2-CG 4.26Å
135R65Low62.4Low172 Ų17271.1 Ų71.165%0.64934%0.34SS*.Hα-helixtrans-77.9-31.1177.4-65.2173.6-163.9-148.4-0.4112.6A131 G132 V133A131-R135 WeakPolarHBondContact O-CG 3.49Å; A131-R135 PolarHBondContact O-N 2.81Å; G132-R135 WeakPolarHBondContact O-CB 3.32Å; G132-R135 PolarHBondContact O-N 3.37Å; G132-R135 VanDerWaalsContact O-N 3.09Å; V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 3.38Å
136T61Low63Low100 Ų10071 Ų7161%0.61333%0.334SS*.Hα-helixtrans-86.5-7-177.8570000114.6G132 V133 V138G132-T136 PolarHBondContact O-N 3.49Å; G132-T136 PolarHBondContact O-OG1 2.9Å; V133-T136 PolarHBondContact O-N 2.93Å; V133-T136 PolarHBondContact O-OG1 3.21Å; T136-V138 PolarHBondContact O-N 2.84Å
137R54.1Low63.5Low175 Ų17569.5 Ų69.566%0.6632%0.323SS*.THydrogen-bonded Turntrans56.944.2166-64.8-171.4176.3-178.71.1117.5V133 R139 G213V133-R137 PolarHBondContact O-N 2.95Å; R137-R139 PolarHBondContact O-N 3.28Å; R137-R139 VanDerWaalsContact O-N 3.16Å; R137-G213 PolarHBondContact NH2-O 3.31Å
138V58.8Low63.8Low83 Ų8375 Ų7550%0.50334%0.344SS..  trans-8590167.6-168.20000110.4T136 G140 Q141T136-V138 PolarHBondContact O-N 2.84Å; V138-G140 PolarHBondContact O-N 2.77Å; V138-Q141 HydrophobicContact CB-CB 4.32Å; V138-Q141 HydrophobicContact CG1-CB 4.39Å; V138-Q141 WeakPolarHBondContact O-CB 3.44Å; V138-Q141 PolarHBondContact O-N 3.42Å
139R56.6Low64.3Low193 Ų19366.8 Ų66.873%0.72831%0.313SS*.THydrogen-bonded Turntrans-58.9124.4-176.4-167.2177.6-175.6-171.4-0.2111R137R137-R139 PolarHBondContact O-N 3.28Å; R137-R139 VanDerWaalsContact O-N 3.16Å
140G57.9Low64.3Low27 Ų2762.9 Ų62.928%0.27830%0.301SS..THydrogen-bonded Turntrans92.9-3.7179.200000116.1V138 V205V138-G140 PolarHBondContact O-N 2.77Å; G140-V205 PolarHBondContact N-O 2.88Å; G140-V205 VanDerWaalsContact N-O 3.16Å
141Q67.1Low64.7Low81 Ų8162.9 Ų62.938%0.37930%0.3SS..  trans-60.4138.1170.7-170.8172.78.400110.6V138 R204 V205V138-Q141 HydrophobicContact CB-CB 4.32Å; V138-Q141 HydrophobicContact CG1-CB 4.39Å; V138-Q141 WeakPolarHBondContact O-CB 3.44Å; V138-Q141 PolarHBondContact O-N 3.42Å; Q141-R204 WeakPolarHBondContact O-CA 3.5Å; Q141-V205 PolarHBondContact O-N 3.23Å
142R66.8Low65.3Low122 Ų12263.3 Ų63.346%0.4630%0.303SS..EExtended strand (participates in β ladder)trans-99.1136.3176.3-68.9-177.6176-174.6-6110.2L203R142-L203 CarbonylContact C-O 3.55Å; R142-L203 VanDerWaalsContact CA-O 3.23Å; R142-L203 WeakPolarHBondContact CA-O 3.42Å
143V69.1Low66.1Low12 Ų1262 Ų627%0.07329%0.287CS..EExtended strand (participates in β ladder)trans-138.8147.4-178.7-66.80000110.7V133 V145 A202 L203 L217V133-V143 HydrophobicContact CG1-CG1 4.26Å; V143-V145 HydrophobicContact CB-CG2 4.35Å; V143-V145 HydrophobicContact CG2-CG2 3.88Å; V143-A202 PolarHBondContact O-N 2.98Å; V143-L203 HydrophobicContact CG2-CB 4.29Å; V143-L203 PolarHBondContact N-O 2.7Å; V143-L203 PolarHBondContact O-N 3.15Å; V143-L217 HydrophobicContact CG2-CD1 4.46Å; V143-L217 HydrophobicContact CG2-CD2 3.72Å
144S68.6Low66.6Low35 Ų3561.5 Ų61.525%0.24529%0.285CS..EExtended strand (participates in β ladder)trans-106124.1170.3-62.40000108.3L125 N200 T201 A202L125-S144 WeakPolarHBondContact CB-O 3.36Å; L125-S144 WeakPolarHBondContact CG-O 3.47Å; L125-S144 PolarHBondContact N-O 2.97Å; L125-S144 VanDerWaalsContact N-O 3.12Å; S144-N200 CarbonylContact C-O 3.57Å; S144-N200 VanDerWaalsContact CA-O 3.25Å; S144-N200 WeakPolarHBondContact CA-O 3.41Å; S144-T201 WeakPolarHBondContact OG-CA 3.31Å; S144-A202 PolarHBondContact OG-N 3.35Å
145V68.7Low67Low1 Ų162.2 Ų62.21%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-123.8129.6-169.6-172.10000111.1L125 A130 V143 L168 N200 L203 L217L125-V145 CarbonylContact O-C 3.53Å; L125-V145 WeakPolarHBondContact O-CA 3.32Å; A130-V145 HydrophobicContact CB-CB 4.27Å; A130-V145 HydrophobicContact CB-CG1 3.63Å; A130-V145 HydrophobicContact CB-CG2 3.57Å; V143-V145 HydrophobicContact CB-CG2 4.35Å; V143-V145 HydrophobicContact CG2-CG2 3.88Å; V145-L168 HydrophobicContact CB-CD1 4.21Å; V145-L168 HydrophobicContact CG1-CD1 3.84Å; V145-N200 PolarHBondContact N-O 3.04Å; V145-N200 PolarHBondContact O-N 3.22Å; V145-L203 HydrophobicContact CB-CD1 4.3Å; V145-L203 HydrophobicContact CG2-CD1 4.15Å; V145-L217 HydrophobicContact CG2-CD1 3.85Å
146W68.1Low67.5Low86 Ų8654.9 Ų54.933%0.32626%0.262SS..EExtended strand (participates in β ladder)trans-107.6132176.1173.291.9000109.1L125 V127 V198L125-W146 WeakPolarHBondContact O-CA 3.49Å; L125-W146 WeakPolarHBondContact O-CB 3.42Å; L125-W146 PolarHBondContact O-N 3.14Å; V127-W146 WeakPolarHBondContact CG2-O 3.49Å; V127-W146 PolarHBondContact N-O 3.21Å; W146-V198 WeakPolarHBondContact CA-O 3.35Å
147G68.3Low68Low1 Ų157 Ų571%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-179.8168.6179.200000113.8V198G147-V198 PolarHBondContact N-O 2.84Å; G147-V198 VanDerWaalsContact N-O 3.15Å; G147-V198 PolarHBondContact O-N 3.01Å
148R69.4Low68.7Low114 Ų11451.8 Ų51.843%0.4325%0.253SS..EExtended strand (participates in β ladder)trans-79.1132.6176.5-179.6172.4167.1142.4-8.9109.8G150 L168 E169 H195R148-G150 PolarHBondContact O-N 3.12Å; R148-L168 CarbonylContact O-C 3.47Å; R148-L168 WeakPolarHBondContact O-CA 3.49Å; R148-E169 WeakPolarHBondContact CB-O 3.45Å; R148-E169 PolarHBondContact N-O 3.25Å; R148-E169 PolarHBondContact O-N 3.36Å; R148-H195 VanDerWaalsContact CZ-CB 3.41Å; R148-H195 PolarHBondContact NE-ND1 3.04Å; R148-H195 PolarHBondContact NH2-ND1 2.79Å
149V69.4Low69Low1 Ų153.8 Ų53.81%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-74115.7173.1-177.90000108.7V152 L168 C190 F193 H195 Q196 V198V149-V152 HydrophobicContact CG1-CG2 3.97Å; V149-L168 HydrophobicContact CG2-CD2 4.06Å; V149-C190 HydrophobicContact CG1-CB 4.18Å; V149-F193 HydrophobicContact CB-CB 4.26Å; V149-F193 HydrophobicContact CG2-CB 4.26Å; V149-H195 PolarHBondContact O-N 2.89Å; V149-Q196 PolarHBondContact N-O 2.78Å; V149-V198 HydrophobicContact CG2-CB 4.3Å; V149-V198 HydrophobicContact CG2-CG2 3.84Å
150G64.8Low69.3Low22 Ų2247.7 Ų47.723%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-90-58.6-17700000113.3R148 C167R148-G150 PolarHBondContact O-N 3.12Å; G150-C167 PolarHBondContact N-O 3.4Å
151S69.6Low69.7Low4 Ų448.8 Ų48.83%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-142.3135.1-178.961.80000111.9R153 F166 C167 R434S151-R153 PolarHBondContact OG-NH1 3.27Å; S151-F166 CarbonylContact O-C 3.47Å; S151-F166 VanDerWaalsContact O-CA 3.3Å; S151-F166 WeakPolarHBondContact O-CA 3.2Å; S151-C167 PolarHBondContact O-N 3.12Å; S151-R434 PolarHBondContact OG-NH2 2.9Å
152V74.4Confident69.9Low16 Ų1646.2 Ų46.210%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-108.3130.6173-174.70000109.1V149 F164 F166 C190 E191 S340V149-V152 HydrophobicContact CG1-CG2 3.97Å; V152-F164 HydrophobicContact CG1-CD2 4.02Å; V152-F164 HydrophobicContact CG1-CE2 4.13Å; V152-F166 HydrophobicContact CB-CB 4.44Å; V152-F166 HydrophobicContact CG1-CB 4.43Å; V152-F166 HydrophobicContact CG2-CB 3.98Å; V152-C190 HydrophobicContact CG2-CB 4.02Å; V152-C190 WeakPolarHBondContact CG2-O 3.37Å; V152-E191 HydrophobicContact CB-CG 4.44Å; V152-E191 HydrophobicContact CG1-CG 3.82Å; V152-S340 VanDerWaalsContact O-CB 3.31Å; V152-S340 WeakPolarHBondContact O-CB 3.43Å
153R78.3Confident70.4Confident4 Ų441.4 Ų41.42%0.01524%0.244CC..PPolyproline II helixtrans-91.7154-178.7-51.6-51.8-163-165.82.1111.1S151 F165 L337 G338 M431S151-R153 PolarHBondContact OG-NH1 3.27Å; R153-F165 HydrophobicContact CB-CB 4.4Å; R153-F165 WeakPolarHBondContact CB-O 3.2Å; R153-F165 HydrophobicContact CG-CB 4.02Å; R153-F165 PolarHBondContact N-O 2.59Å; R153-L337 WeakPolarHBondContact CD-O 3.37Å; R153-G338 PolarHBondContact NH1-O 3.19Å; R153-M431 HydrophobicContact CB-CE 3.3Å; R153-M431 HydrophobicContact CG-CB 4.33Å; R153-M431 HydrophobicContact CG-CE 3.93Å; R153-M431 HydrophobicContact CG-CG 4.48Å; R153-M431 VanDerWaalsContact CZ-O 3.23Å; R153-M431 PolarHBondContact NE-O 3.3Å; R153-M431 PolarHBondContact NH2-O 2.74Å
154P75.8Confident70.8Confident22 Ų2241.1 Ų41.114%0.14324%0.242CC..PPolyproline II helixtrans-56.9147.3178.2-23.433.6000112.7L156 Q300 P301 L337P154-L156 PolarHBondContact O-N 3.24Å; P154-Q300 HydrophobicContact CG-CG 4.22Å; P154-P301 HydrophobicContact CB-CG 3.91Å; P154-L337 VanDerWaalsContact CD-O 3.27Å; P154-L337 WeakPolarHBondContact CD-O 3.46Å
155L75.2Confident71.2Confident35 Ų3539.5 Ų39.518%0.18323%0.23CC..PPolyproline II helixtrans-70.9124.3174.4-178.372000110.7C162 F164 V181 P301L155-C162 HydrophobicContact CD1-CB 4.37Å; L155-F164 HydrophobicContact CD1-CB 4.14Å; L155-F164 HydrophobicContact CD1-CD1 3.86Å; L155-F164 HydrophobicContact CD1-CG 4.45Å; L155-V181 HydrophobicContact CD1-CG2 4.06Å; L155-P301 WeakPolarHBondContact O-CG 3.38Å
156L75.4Confident71.5Confident19 Ų1939.4 Ų39.410%0.09923%0.23CC..EExtended strand (participates in β ladder)trans-109.2138.9179.4-66.4176.6000111P154 C162 F163 P301 L337 I427 M431P154-L156 PolarHBondContact O-N 3.24Å; L156-C162 CarbonylContact O-C 3.52Å; L156-C162 VanDerWaalsContact O-CA 3.25Å; L156-C162 WeakPolarHBondContact O-CA 3.31Å; L156-F163 HydrophobicContact CB-CE1 4.24Å; L156-F163 HydrophobicContact CB-CE2 4.27Å; L156-F163 HydrophobicContact CB-CZ 4.03Å; L156-F163 HydrophobicContact CD1-CE2 4.06Å; L156-F163 HydrophobicContact CD1-CZ 4.06Å; L156-F163 PolarHBondContact N-O 2.95Å; L156-F163 PolarHBondContact O-N 2.88Å; L156-P301 HydrophobicContact CD2-CB 4.44Å; L156-P301 HydrophobicContact CD2-CG 3.94Å; L156-L337 HydrophobicContact CD1-CD2 4.49Å; L156-L337 HydrophobicContact CD2-CD2 3.87Å; L156-I427 HydrophobicContact CD1-CD1 4.43Å; L156-M431 HydrophobicContact CD1-CE 4.02Å; L156-M431 HydrophobicContact CD1-SD 3.61Å
157E72.3Confident71.9Confident144 Ų14435.8 Ų35.867%0.67322%0.218SC*.EExtended strand (participates in β ladder)trans-110.8117.2168.4-174.5174.7177.300108.9
158V69.3Low72.2Confident65 Ų6535.7 Ų35.739%0.39422%0.217SC..EExtended strand (participates in β ladder)trans-131.1121.1-179.9-175.50000108.6G160 S161 F163V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.4Å; V158-S161 PolarHBondContact N-O 3.13Å; V158-S161 PolarHBondContact O-N 3.07Å; V158-F163 HydrophobicContact CB-CE1 4.04Å; V158-F163 HydrophobicContact CG2-CE1 3.69Å; V158-F163 HydrophobicContact CG2-CZ 4.1Å
159S64.8Low72.3Confident125 Ų12532.5 Ų32.587%0.87421%0.207SC*.THydrogen-bonded Turntrans5241.5178.9-540000113.4S161S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 3.15Å
160G61.4Low72.4Confident66 Ų6635.6 Ų35.668%0.6822%0.223SC*.THydrogen-bonded Turntrans75.56.3-179.800000115.3V158V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.4Å
161S66.3Low72.2Confident50 Ų5043.7 Ų43.735%0.3526%0.255SS..EExtended strand (participates in β ladder)trans-110.4123.8172.6-70.60000110.9V158 S159V158-S161 PolarHBondContact N-O 3.13Å; V158-S161 PolarHBondContact O-N 3.07Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 3.15Å
162C72.8Confident71.8Confident26 Ų2651 Ų5118%0.17629%0.289CS..EExtended strand (participates in β ladder)trans-90.6137.1174.9-70.90000111.6L155 L156 V181L155-C162 HydrophobicContact CD1-CB 4.37Å; L156-C162 CarbonylContact O-C 3.52Å; L156-C162 VanDerWaalsContact O-CA 3.25Å; L156-C162 WeakPolarHBondContact O-CA 3.31Å; C162-V181 HydrophobicContact CB-CB 3.75Å; C162-V181 HydrophobicContact CB-CG1 4.3Å; C162-V181 HydrophobicContact CB-CG2 3.71Å; C162-V181 WeakPolarHBondContact O-CB 3.33Å; C162-V181 WeakPolarHBondContact O-CG2 3.36Å; C162-V181 PolarHBondContact O-N 3.06Å
163F76.8Confident71.5Confident21 Ų2152.9 Ų52.99%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-154.3157.3174.567.8-86.6000112.7L156 V158 F165 L178 V179 I427L156-F163 HydrophobicContact CB-CE1 4.24Å; L156-F163 HydrophobicContact CB-CE2 4.27Å; L156-F163 HydrophobicContact CB-CZ 4.03Å; L156-F163 HydrophobicContact CD1-CE2 4.06Å; L156-F163 HydrophobicContact CD1-CZ 4.06Å; L156-F163 PolarHBondContact N-O 2.95Å; L156-F163 PolarHBondContact O-N 2.88Å; V158-F163 HydrophobicContact CB-CE1 4.04Å; V158-F163 HydrophobicContact CG2-CE1 3.69Å; V158-F163 HydrophobicContact CG2-CZ 4.1Å; F163-F165 HydrophobicContact CD2-CD2 4.3Å; F163-F165 AromaticContact CD2-CE2 3.84Å; F163-F165 HydrophobicContact CD2-CE2 3.84Å; F163-F165 HydrophobicContact CE2-CD2 4.42Å; F163-F165 AromaticContact CE2-CE2 3.77Å; F163-F165 HydrophobicContact CE2-CE2 3.77Å; F163-L178 HydrophobicContact CB-CD1 3.97Å; F163-L178 HydrophobicContact CD2-CD1 3.93Å; F163-L178 HydrophobicContact CG-CD1 4.29Å; F163-V179 WeakPolarHBondContact CA-O 3.27Å; F163-V179 WeakPolarHBondContact CB-O 3.41Å; F163-I427 HydrophobicContact CZ-CD1 4.35Å
164F76.6Confident71.4Confident7 Ų756.1 Ų56.13%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-145.5168.1169.371.7-82.5000110.5V152 L155 F166 V179 F187V152-F164 HydrophobicContact CG1-CD2 4.02Å; V152-F164 HydrophobicContact CG1-CE2 4.13Å; L155-F164 HydrophobicContact CD1-CB 4.14Å; L155-F164 HydrophobicContact CD1-CD1 3.86Å; L155-F164 HydrophobicContact CD1-CG 4.45Å; F164-F166 HydrophobicContact CE2-CD1 4.01Å; F164-V179 HydrophobicContact CD1-CB 3.9Å; F164-V179 HydrophobicContact CD1-CG1 4.34Å; F164-V179 HydrophobicContact CE1-CB 3.52Å; F164-V179 HydrophobicContact CE1-CG1 3.63Å; F164-V179 HydrophobicContact CE1-CG2 3.94Å; F164-V179 HydrophobicContact CE2-CB 4.38Å; F164-V179 HydrophobicContact CE2-CG2 3.97Å; F164-V179 HydrophobicContact CG-CB 4.48Å; F164-V179 HydrophobicContact CZ-CB 3.8Å; F164-V179 HydrophobicContact CZ-CG1 4.05Å; F164-V179 HydrophobicContact CZ-CG2 3.63Å; F164-V179 PolarHBondContact N-O 2.86Å; F164-V179 VanDerWaalsContact N-O 3.15Å; F164-V179 PolarHBondContact O-N 2.91Å; F164-F187 HydrophobicContact CZ-CB 4.42Å
165F78.4Confident71.3Confident0 Ų055.2 Ų55.20%031%0.311CS..EExtended strand (participates in β ladder)trans-119.6147.4175.6-67.4-97.2000110.6R153 F163 V177 L178 L208 V216 Y428 M431 L432R153-F165 HydrophobicContact CB-CB 4.4Å; R153-F165 WeakPolarHBondContact CB-O 3.2Å; R153-F165 HydrophobicContact CG-CB 4.02Å; R153-F165 PolarHBondContact N-O 2.59Å; F163-F165 HydrophobicContact CD2-CD2 4.3Å; F163-F165 AromaticContact CD2-CE2 3.84Å; F163-F165 HydrophobicContact CD2-CE2 3.84Å; F163-F165 HydrophobicContact CE2-CD2 4.42Å; F163-F165 AromaticContact CE2-CE2 3.77Å; F163-F165 HydrophobicContact CE2-CE2 3.77Å; F165-V177 VanDerWaalsContact CA-O 3.29Å; F165-V177 WeakPolarHBondContact CA-O 3.2Å; F165-L178 HydrophobicContact CD1-CB 4.02Å; F165-L178 HydrophobicContact CD1-CD1 4.26Å; F165-L178 HydrophobicContact CD2-CD1 4.35Å; F165-L178 HydrophobicContact CE1-CB 3.76Å; F165-L178 HydrophobicContact CE1-CD1 3.85Å; F165-L178 HydrophobicContact CE1-CG 4.27Å; F165-L178 HydrophobicContact CE2-CD1 3.96Å; F165-L178 HydrophobicContact CZ-CB 4.43Å; F165-L178 HydrophobicContact CZ-CD1 3.69Å; F165-L178 HydrophobicContact CZ-CG 4.47Å; F165-L208 HydrophobicContact CE1-CD1 4Å; F165-L208 HydrophobicContact CZ-CD1 3.8Å; F165-V216 HydrophobicContact CD1-CG1 4.36Å; F165-V216 HydrophobicContact CE1-CG1 4Å; F165-V216 HydrophobicContact CE1-CG2 4.49Å; F165-Y428 HydrophobicContact CE2-CD1 4.47Å; F165-Y428 HydrophobicContact CZ-CD1 4.27Å; F165-Y428 HydrophobicContact CZ-CE1 4.34Å; F165-M431 HydrophobicContact CB-CE 4.44Å; F165-M431 HydrophobicContact CD2-CE 3.56Å; F165-M431 HydrophobicContact CD2-SD 4.01Å; F165-M431 HydrophobicContact CE2-CE 4.31Å; F165-M431 HydrophobicContact CE2-SD 4.25Å; F165-M431 HydrophobicContact CG-CE 4.46Å; F165-L432 HydrophobicContact CB-CD2 4.41Å; F165-L432 HydrophobicContact CD1-CD2 3.75Å; F165-L432 HydrophobicContact CE1-CD1 4.09Å; F165-L432 HydrophobicContact CE1-CD2 4.07Å; F165-L432 HydrophobicContact CG-CD2 4.06Å; F165-L432 HydrophobicContact CZ-CD1 4.28Å
166F74.8Confident71.6Confident0 Ų054.4 Ų54.40%031%0.308CS..EExtended strand (participates in β ladder)trans-132153.8161.666.1-89.3000110S151 V152 F164 L168 V177 V179 C190S151-F166 CarbonylContact O-C 3.47Å; S151-F166 VanDerWaalsContact O-CA 3.3Å; S151-F166 WeakPolarHBondContact O-CA 3.2Å; V152-F166 HydrophobicContact CB-CB 4.44Å; V152-F166 HydrophobicContact CG1-CB 4.43Å; V152-F166 HydrophobicContact CG2-CB 3.98Å; F164-F166 HydrophobicContact CE2-CD1 4.01Å; F166-L168 HydrophobicContact CD2-CD2 4.4Å; F166-L168 HydrophobicContact CD2-CG 4.33Å; F166-L168 HydrophobicContact CE2-CD1 4.37Å; F166-L168 HydrophobicContact CE2-CD2 3.99Å; F166-L168 HydrophobicContact CE2-CG 3.92Å; F166-V177 HydrophobicContact CD1-CB 4.11Å; F166-V177 HydrophobicContact CD1-CG1 4.42Å; F166-V177 HydrophobicContact CD2-CB 4.16Å; F166-V177 HydrophobicContact CD2-CG2 4.32Å; F166-V177 HydrophobicContact CE1-CB 3.7Å; F166-V177 HydrophobicContact CE1-CG1 3.6Å; F166-V177 HydrophobicContact CE2-CB 3.75Å; F166-V177 HydrophobicContact CE2-CG1 4.21Å; F166-V177 HydrophobicContact CE2-CG2 3.75Å; F166-V177 HydrophobicContact CG-CB 4.34Å; F166-V177 HydrophobicContact CZ-CB 3.52Å; F166-V177 HydrophobicContact CZ-CG1 3.48Å; F166-V177 VanDerWaalsContact CZ-CG1 3.48Å; F166-V177 HydrophobicContact CZ-CG2 3.89Å; F166-V177 PolarHBondContact N-O 3.43Å; F166-V177 PolarHBondContact O-N 3.48Å; F166-V179 HydrophobicContact CD1-CG2 3.9Å; F166-V179 HydrophobicContact CE1-CG2 3.59Å; F166-C190 HydrophobicContact CD1-CB 4.49Å; F166-C190 HydrophobicContact CG-CB 4.3Å
167C75Confident71.7Confident9 Ų953.5 Ų53.56%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-106128.1177.7-62.40000110.2G150 S151 E169 V175G150-C167 PolarHBondContact N-O 3.4Å; S151-C167 PolarHBondContact O-N 3.12Å; C167-E169 HydrophobicContact CB-CG 4.49Å; C167-V175 WeakPolarHBondContact CA-O 3.45Å
168L74.7Confident72.1Confident0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans-88.4127.7164.3-67.2172.4000108.3V127 V145 R148 V149 F166 T174 V175 V177V127-L168 HydrophobicContact CG2-CB 4.35Å; V145-L168 HydrophobicContact CB-CD1 4.21Å; V145-L168 HydrophobicContact CG1-CD1 3.84Å; R148-L168 CarbonylContact O-C 3.47Å; R148-L168 WeakPolarHBondContact O-CA 3.49Å; V149-L168 HydrophobicContact CG2-CD2 4.06Å; F166-L168 HydrophobicContact CD2-CD2 4.4Å; F166-L168 HydrophobicContact CD2-CG 4.33Å; F166-L168 HydrophobicContact CE2-CD1 4.37Å; F166-L168 HydrophobicContact CE2-CD2 3.99Å; F166-L168 HydrophobicContact CE2-CG 3.92Å; L168-T174 CarbonylContact O-C 3.44Å; L168-T174 VanDerWaalsContact O-CA 3.3Å; L168-T174 WeakPolarHBondContact O-CA 3.19Å; L168-V175 PolarHBondContact N-O 3.26Å; L168-V175 PolarHBondContact O-N 2.78Å; L168-V177 HydrophobicContact CD1-CG2 3.96Å; L168-V177 HydrophobicContact CG-CG2 4.23Å
169E73.1Confident72.2Confident47 Ų4744.9 Ų44.922%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-118.7143-177.2-53.8-171164.800109.7R148 C167 T174 R434R148-E169 WeakPolarHBondContact CB-O 3.45Å; R148-E169 PolarHBondContact N-O 3.25Å; R148-E169 PolarHBondContact O-N 3.36Å; C167-E169 HydrophobicContact CB-CG 4.49Å; E169-T174 HydrophobicContact CB-CG2 4.2Å; E169-T174 HydrophobicContact CG-CG2 3.65Å; E169-R434 IonicContact OE1-CZ 3.59Å; E169-R434 IonicContact OE1-NH1 3.47Å; E169-R434 IonicContact OE1-NH2 2.87Å; E169-R434 PolarHBondContact OE1-NH2 3.24Å
170D71Confident72.5Confident65 Ų6546 Ų4635%0.34825%0.249SC..EExtended strand (participates in β ladder)trans-133.5169.5166.6-179.822.5000107.1V127 Q172 Q173V127-D170 HydrophobicContact CB-CB 3.63Å; V127-D170 HydrophobicContact CG1-CB 4.14Å; V127-D170 HydrophobicContact CG2-CB 3.83Å; D170-Q172 PolarHBondContact O-N 3.01Å; D170-Q173 PolarHBondContact N-O 3.22Å; D170-Q173 PolarHBondContact O-N 2.99Å
171Q59.9Low72.4Confident192 Ų19244.8 Ų44.890%0.89723%0.228SC*.THydrogen-bonded Turntrans-51.3-19.3-168.2-62.3-175.17.100115.3
172Q61.5Low71.8Confident159 Ų15946 Ų4674%0.74325%0.248SC*.THydrogen-bonded Turntrans-132.9-6.7-179.4-62.8-169.6-900116.3D170D170-Q172 PolarHBondContact O-N 3.01Å
173Q68.9Low70.8Confident54 Ų5448.2 Ų48.225%0.25226%0.258SS..EExtended strand (participates in β ladder)trans-143.1149-171.9-63.9-90.8-36.200111.5A131 D170A131-Q173 HydrophobicContact CB-CB 4.34Å; A131-Q173 HydrophobicContact CB-CG 4.36Å; D170-Q173 PolarHBondContact N-O 3.22Å; D170-Q173 PolarHBondContact O-N 2.99Å
174T75.1Confident69.5Low73 Ų7348 Ų4845%0.44826%0.259SS..EExtended strand (participates in β ladder)trans-128130.9173.864.90000110.5L168 E169L168-T174 CarbonylContact O-C 3.44Å; L168-T174 VanDerWaalsContact O-CA 3.3Å; L168-T174 WeakPolarHBondContact O-CA 3.19Å; E169-T174 HydrophobicContact CB-CG2 4.2Å; E169-T174 HydrophobicContact CG-CG2 3.65Å
175V75.1Confident68.4Low2 Ų247.8 Ų47.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-119.1122.5-179.11770000110.4V127 A131 L134 C167 L168 L217V127-V175 HydrophobicContact CG1-CB 4.38Å; V127-V175 HydrophobicContact CG1-CG2 3.85Å; A131-V175 HydrophobicContact CB-CG2 3.74Å; L134-V175 HydrophobicContact CD1-CG1 3.56Å; C167-V175 WeakPolarHBondContact CA-O 3.45Å; L168-V175 PolarHBondContact N-O 3.26Å; L168-V175 PolarHBondContact O-N 2.78Å; V175-L217 HydrophobicContact CG1-CD1 3.6Å; V175-L217 HydrophobicContact CG1-CG 4.05Å
176P80.3Confident67.1Low18 Ų1854.6 Ų54.612%0.11728%0.284CS..EExtended strand (participates in β ladder)trans-79.2135.8176.231.5-33.2000111.5W211 V216 L217 L432P176-W211 HydrophobicContact CG-CH2 4.08Å; P176-W211 HydrophobicContact CG-CZ3 4.39Å; P176-V216 HydrophobicContact CG-CG2 4.36Å; P176-V216 WeakPolarHBondContact O-CG1 3.35Å; P176-L217 PolarHBondContact O-N 3.28Å; P176-L432 HydrophobicContact CB-CD2 3.74Å; P176-L432 HydrophobicContact CG-CD2 4.48Å
177V78.5Confident66.1Low0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-116.7123174.8-173.20000109.1F165 F166 L168 L203 L217 V219F165-V177 VanDerWaalsContact CA-O 3.29Å; F165-V177 WeakPolarHBondContact CA-O 3.2Å; F166-V177 HydrophobicContact CD1-CB 4.11Å; F166-V177 HydrophobicContact CD1-CG1 4.42Å; F166-V177 HydrophobicContact CD2-CB 4.16Å; F166-V177 HydrophobicContact CD2-CG2 4.32Å; F166-V177 HydrophobicContact CE1-CB 3.7Å; F166-V177 HydrophobicContact CE1-CG1 3.6Å; F166-V177 HydrophobicContact CE2-CB 3.75Å; F166-V177 HydrophobicContact CE2-CG1 4.21Å; F166-V177 HydrophobicContact CE2-CG2 3.75Å; F166-V177 HydrophobicContact CG-CB 4.34Å; F166-V177 HydrophobicContact CZ-CB 3.52Å; F166-V177 HydrophobicContact CZ-CG1 3.48Å; F166-V177 VanDerWaalsContact CZ-CG1 3.48Å; F166-V177 HydrophobicContact CZ-CG2 3.89Å; F166-V177 PolarHBondContact N-O 3.43Å; F166-V177 PolarHBondContact O-N 3.48Å; L168-V177 HydrophobicContact CD1-CG2 3.96Å; L168-V177 HydrophobicContact CG-CG2 4.23Å; V177-L203 HydrophobicContact CG1-CD1 4.31Å; V177-L203 HydrophobicContact CG1-CD2 4.09Å; V177-L203 HydrophobicContact CG2-CD1 4.35Å; V177-L217 CarbonylContact C-O 3.5Å; V177-L217 VanDerWaalsContact CA-O 3.25Å; V177-L217 WeakPolarHBondContact CA-O 3.35Å; V177-L217 HydrophobicContact CG1-CB 4.44Å; V177-L217 WeakPolarHBondContact CG1-O 3.49Å; V177-L217 HydrophobicContact CG2-CB 4.25Å; V177-V219 HydrophobicContact CG1-CG2 4.16Å
178L79.4Confident65.1Low24 Ų2456.5 Ų56.513%0.12629%0.29CS..EExtended strand (participates in β ladder)trans-91.9127.6174.9172.562.8000110.3F163 F165 L208 V216 L217 C218 V219F163-L178 HydrophobicContact CB-CD1 3.97Å; F163-L178 HydrophobicContact CD2-CD1 3.93Å; F163-L178 HydrophobicContact CG-CD1 4.29Å; F165-L178 HydrophobicContact CD1-CB 4.02Å; F165-L178 HydrophobicContact CD1-CD1 4.26Å; F165-L178 HydrophobicContact CD2-CD1 4.35Å; F165-L178 HydrophobicContact CE1-CB 3.76Å; F165-L178 HydrophobicContact CE1-CD1 3.85Å; F165-L178 HydrophobicContact CE1-CG 4.27Å; F165-L178 HydrophobicContact CE2-CD1 3.96Å; F165-L178 HydrophobicContact CZ-CB 4.43Å; F165-L178 HydrophobicContact CZ-CD1 3.69Å; F165-L178 HydrophobicContact CZ-CG 4.47Å; L178-L208 HydrophobicContact CD2-CD2 4.33Å; L178-V216 HydrophobicContact CB-CG1 3.61Å; L178-L217 PolarHBondContact N-O 3.45Å; L178-C218 WeakPolarHBondContact O-CA 3.33Å; L178-V219 PolarHBondContact O-N 3.11Å
179V72.8Confident63.7Low5 Ų557.5 Ų57.53%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-111.1113.3172.5-169.90000108.4F163 F164 F166 F187 V219F163-V179 WeakPolarHBondContact CA-O 3.27Å; F163-V179 WeakPolarHBondContact CB-O 3.41Å; F164-V179 HydrophobicContact CD1-CB 3.9Å; F164-V179 HydrophobicContact CD1-CG1 4.34Å; F164-V179 HydrophobicContact CE1-CB 3.52Å; F164-V179 HydrophobicContact CE1-CG1 3.63Å; F164-V179 HydrophobicContact CE1-CG2 3.94Å; F164-V179 HydrophobicContact CE2-CB 4.38Å; F164-V179 HydrophobicContact CE2-CG2 3.97Å; F164-V179 HydrophobicContact CG-CB 4.48Å; F164-V179 HydrophobicContact CZ-CB 3.8Å; F164-V179 HydrophobicContact CZ-CG1 4.05Å; F164-V179 HydrophobicContact CZ-CG2 3.63Å; F164-V179 PolarHBondContact N-O 2.86Å; F164-V179 VanDerWaalsContact N-O 3.15Å; F164-V179 PolarHBondContact O-N 2.91Å; F166-V179 HydrophobicContact CD1-CG2 3.9Å; F166-V179 HydrophobicContact CE1-CG2 3.59Å; V179-F187 HydrophobicContact CG1-CB 4.18Å; V179-F187 HydrophobicContact CG1-CG 4.46Å; V179-F187 HydrophobicContact CG2-CB 4.46Å; V179-V219 HydrophobicContact CB-CG2 4.41Å; V179-V219 HydrophobicContact CG1-CB 4.49Å; V179-V219 HydrophobicContact CG1-CG2 4.37Å; V179-V219 HydrophobicContact CG2-CG2 3.83Å
180K69.2Low62.4Low147 Ų14755.3 Ų55.364%0.63928%0.284SS*.EExtended strand (participates in β ladder)trans-97.9126.4172.9-166178-178.9-176.80108.7G182K180-G182 PolarHBondContact O-N 3.15Å
181V60.1Low61.1Low41 Ų4156 Ų5625%0.24829%0.285CS..  trans-79.3108.6-166176.70000111.6L155 C162 P184L155-V181 HydrophobicContact CD1-CG2 4.06Å; C162-V181 HydrophobicContact CB-CB 3.75Å; C162-V181 HydrophobicContact CB-CG1 4.3Å; C162-V181 HydrophobicContact CB-CG2 3.71Å; C162-V181 WeakPolarHBondContact O-CB 3.33Å; C162-V181 WeakPolarHBondContact O-CG2 3.36Å; C162-V181 PolarHBondContact O-N 3.06Å; V181-P184 HydrophobicContact CG1-CB 3.55Å; V181-P184 HydrophobicContact CG1-CG 3.58Å; V181-P184 HydrophobicContact CG2-CB 4.24Å
182G53Low60.3Low75 Ų7548 Ų4877%0.77325%0.25SC*.SBendtrans-113.5-30.7156.700000112.4K180K180-G182 PolarHBondContact O-N 3.15Å
183D51.8Low59.8Low73 Ų7341.4 Ų41.439%0.3922%0.219SC..SBendtrans-146.481.8175.2-155.65.1000109.9I185 R186D183-I185 PolarHBondContact O-N 3.41Å; D183-R186 IonicContact OD2-CZ 3.37Å; D183-R186 IonicContact OD2-NE 2.85Å; D183-R186 PolarHBondContact OD2-NE 2.56Å; D183-R186 IonicContact OD2-NH2 3.6Å; D183-R186 PolarHBondContact OD2-NH2 2.84Å
184P50.9Low58.7Low16 Ų1640.8 Ų40.810%0.10423%0.227CC..THydrogen-bonded Turntrans-66.9-17.6-157.515.8-26000117.4G57 V181G57-P184 VanDerWaalsContact N-CG 3.3Å; V181-P184 HydrophobicContact CG1-CB 3.55Å; V181-P184 HydrophobicContact CG1-CG 3.58Å; V181-P184 HydrophobicContact CG2-CB 4.24Å
185I52.2Low57.7Low3 Ų342.5 Ų42.52%0.01523%0.23CC..THydrogen-bonded Turntrans-89.2-23-166.1-65.3154.3000113A53 E58 W59 M80 D183 F187 R188A53-I185 HydrophobicContact CB-CD1 3.38Å; E58-I185 WeakPolarHBondContact O-CD1 3.37Å; W59-I185 HydrophobicContact CD2-CG2 4.17Å; W59-I185 HydrophobicContact CH2-CG2 3.99Å; W59-I185 HydrophobicContact CZ2-CG2 3.29Å; M80-I185 HydrophobicContact CE-CB 3.7Å; M80-I185 HydrophobicContact CE-CD1 3.94Å; M80-I185 HydrophobicContact CE-CG1 4.4Å; M80-I185 HydrophobicContact CE-CG2 3.14Å; D183-I185 PolarHBondContact O-N 3.41Å; I185-F187 PolarHBondContact O-N 3.24Å; I185-R188 PolarHBondContact O-N 2.86Å
186R52.3Low56.7Low143 Ų14347.3 Ų47.354%0.5425%0.252SS..THydrogen-bonded Turntrans-63.4-24.9-178.7-58-172.6-161.1-165.94.5113.6D183 T225D183-R186 IonicContact OD2-CZ 3.37Å; D183-R186 IonicContact OD2-NE 2.85Å; D183-R186 PolarHBondContact OD2-NE 2.56Å; D183-R186 IonicContact OD2-NH2 3.6Å; D183-R186 PolarHBondContact OD2-NH2 2.84Å; R186-T225 PolarHBondContact O-OG1 2.97Å
187F52.9Low55.7Low12 Ų1248.7 Ų48.75%0.05326%0.262CS..THydrogen-bonded Turntrans-110.5-1.8-178.6-71.6-91.1000114F164 V179 I185 R189 C190 V219 S223 T225F164-F187 HydrophobicContact CZ-CB 4.42Å; V179-F187 HydrophobicContact CG1-CB 4.18Å; V179-F187 HydrophobicContact CG1-CG 4.46Å; V179-F187 HydrophobicContact CG2-CB 4.46Å; I185-F187 PolarHBondContact O-N 3.24Å; F187-R189 PolarHBondContact O-N 2.91Å; F187-C190 PolarHBondContact O-N 3.04Å; F187-V219 HydrophobicContact CD1-CG1 4.45Å; F187-V219 HydrophobicContact CD1-CG2 3.93Å; F187-V219 HydrophobicContact CD2-CG1 3.89Å; F187-V219 HydrophobicContact CE1-CG1 3.98Å; F187-V219 HydrophobicContact CE1-CG2 3.76Å; F187-V219 HydrophobicContact CE2-CG1 3.38Å; F187-V219 HydrophobicContact CG-CG1 4.42Å; F187-V219 HydrophobicContact CG-CG2 4.4Å; F187-V219 HydrophobicContact CZ-CB 4.46Å; F187-V219 HydrophobicContact CZ-CG1 3.45Å; F187-V219 VanDerWaalsContact CZ-CG1 3.45Å; F187-V219 HydrophobicContact CZ-CG2 4.12Å; F187-S223 WeakPolarHBondContact CZ-O 3.1Å; F187-T225 HydrophobicContact CD1-CG2 3.25Å; F187-T225 HydrophobicContact CE1-CG2 3.14Å; F187-T225 HydrophobicContact CG-CG2 4.15Å; F187-T225 HydrophobicContact CZ-CG2 3.93Å
188R53.3Low55.1Low37 Ų3748.7 Ų48.714%0.1426%0.263CS..G310 helixtrans-68.7-10.5174-101.5-162.3-170.5-1776.8114.1G57 I185 C190 E191 R304G57-R188 PolarHBondContact O-NH1 3.48Å; G57-R188 VanDerWaalsContact O-NH1 3.15Å; I185-R188 PolarHBondContact O-N 2.86Å; R188-C190 PolarHBondContact O-N 2.81Å; R188-C190 VanDerWaalsContact O-N 3.11Å; R188-E191 PolarHBondContact O-N 2.88Å; R188-E191 VanDerWaalsContact O-N 3.1Å; R188-R304 VanDerWaalsContact NH2-NH1 3.17Å
189R45.7Very low54.2Low22 Ų2248 Ų488%0.08326%0.26CS..G310 helixtrans-44.8-37.9166.8-120-177.6177.41539.3112.1S76 P77 F187 E191 C192 F193 T225 P227S76-R189 PolarHBondContact OG-NH2 3.27Å; P77-R189 VanDerWaalsContact CD-CD 3.48Å; P77-R189 VanDerWaalsContact CG-CD 3.46Å; P77-R189 HydrophobicContact CG-CG 3.97Å; F187-R189 PolarHBondContact O-N 2.91Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 3.34Å; R189-C192 PolarHBondContact O-N 2.92Å; R189-C192 VanDerWaalsContact O-N 3.09Å; R189-F193 HydrophobicContact CB-CD2 4.04Å; R189-F193 HydrophobicContact CB-CE2 3.42Å; R189-F193 VanDerWaalsContact CB-CE2 3.42Å; R189-F193 HydrophobicContact CB-CZ 4.27Å; R189-F193 HydrophobicContact CG-CD2 4.33Å; R189-F193 HydrophobicContact CG-CE2 3.31Å; R189-F193 HydrophobicContact CG-CZ 3.65Å; R189-F193 WeakPolarHBondContact O-CD2 3.4Å; R189-F193 WeakPolarHBondContact O-CE2 3.42Å; R189-F193 WeakPolarHBondContact O-CG 3.05Å; R189-T225 PolarHBondContact NH1-O 2.96Å; R189-T225 VanDerWaalsContact NH1-O 3.14Å; R189-P227 VanDerWaalsContact NH1-CD 3.33Å
190C45.5Very low53.9Low1 Ų147.8 Ų47.81%0.00726%0.258CS..G310 helixtrans-63.3-27.3-177.6-61.40000114.3V149 V152 F166 F187 R188 C192 F193V149-C190 HydrophobicContact CG1-CB 4.18Å; V152-C190 HydrophobicContact CG2-CB 4.02Å; V152-C190 WeakPolarHBondContact CG2-O 3.37Å; F166-C190 HydrophobicContact CD1-CB 4.49Å; F166-C190 HydrophobicContact CG-CB 4.3Å; F187-C190 PolarHBondContact O-N 3.04Å; R188-C190 PolarHBondContact O-N 2.81Å; R188-C190 VanDerWaalsContact O-N 3.11Å; C190-C192 PolarHBondContact O-N 3.28Å; C190-F193 PolarHBondContact O-N 3.49Å
191E45.2Very low53.7Low78 Ų7842 Ų4236%0.36424%0.235SC..G310 helixtrans-66.1-23.6175.9-70.9175.5167.700112.2V152 R188 R189V152-E191 HydrophobicContact CB-CG 4.44Å; V152-E191 HydrophobicContact CG1-CG 3.82Å; R188-E191 PolarHBondContact O-N 2.88Å; R188-E191 VanDerWaalsContact O-N 3.1Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 PolarHBondContact O-N 3.34Å
192C43.5Very low54Low24 Ų2441 Ų4116%0.16223%0.231CC..G310 helixtrans-94.5-14.8-177.4-60.90000114P75 R189 C190 R342P75-C192 WeakPolarHBondContact CD-SG 3.31Å; R189-C192 PolarHBondContact O-N 2.92Å; R189-C192 VanDerWaalsContact O-N 3.09Å; C190-C192 PolarHBondContact O-N 3.28Å; C192-R342 PolarHBondContact O-NH1 2.72Å
193F49.3Very low55Low21 Ų2137.5 Ų37.59%0.09220%0.195CC..  trans-100.329.8-169.2-67-49.5000113.9V149 R189 C190 H195 Q196 V198 P227V149-F193 HydrophobicContact CB-CB 4.26Å; V149-F193 HydrophobicContact CG2-CB 4.26Å; R189-F193 HydrophobicContact CB-CD2 4.04Å; R189-F193 HydrophobicContact CB-CE2 3.42Å; R189-F193 VanDerWaalsContact CB-CE2 3.42Å; R189-F193 HydrophobicContact CB-CZ 4.27Å; R189-F193 HydrophobicContact CG-CD2 4.33Å; R189-F193 HydrophobicContact CG-CE2 3.31Å; R189-F193 HydrophobicContact CG-CZ 3.65Å; R189-F193 WeakPolarHBondContact O-CD2 3.4Å; R189-F193 WeakPolarHBondContact O-CE2 3.42Å; R189-F193 WeakPolarHBondContact O-CG 3.05Å; C190-F193 PolarHBondContact O-N 3.49Å; F193-H195 VanDerWaalsContact C-N 3.28Å; F193-H195 PolarHBondContact O-N 2.92Å; F193-Q196 HydrophobicContact CB-CB 4.23Å; F193-Q196 HydrophobicContact CD1-CB 3.89Å; F193-Q196 HydrophobicContact CD1-CG 4.43Å; F193-Q196 VanDerWaalsContact CE1-OE1 3.24Å; F193-Q196 HydrophobicContact CG-CB 4.39Å; F193-Q196 PolarHBondContact O-N 2.89Å; F193-V198 HydrophobicContact CB-CG2 4.31Å; F193-V198 HydrophobicContact CD2-CG2 3.61Å; F193-V198 HydrophobicContact CE2-CG2 3.99Å; F193-V198 HydrophobicContact CG-CG2 4.04Å; F193-P227 HydrophobicContact CE1-CB 4.26Å; F193-P227 HydrophobicContact CZ-CB 3.86Å; F193-P227 HydrophobicContact CZ-CG 4.44Å
194G47.5Very low56.2Low42 Ų4240.1 Ų40.143%0.43320%0.199SC..THydrogen-bonded Turntrans-50.9100.8166.500000108.1
195H52.9Low57.4Low108 Ų10839.6 Ų39.650%0.520%0.195SC..THydrogen-bonded Turntrans91.85.8-179.5-45.1-35.3000120.6R148 V149 F193R148-H195 VanDerWaalsContact CZ-CB 3.41Å; R148-H195 PolarHBondContact NE-ND1 3.04Å; R148-H195 PolarHBondContact NH2-ND1 2.79Å; V149-H195 PolarHBondContact O-N 2.89Å; F193-H195 VanDerWaalsContact C-N 3.28Å; F193-H195 PolarHBondContact O-N 2.92Å
196Q54.8Low58.4Low103 Ų10340.9 Ų40.948%0.48120%0.204SC..  trans-101.8147.2173-71.3-177.1-1.300112.6V149 F193V149-Q196 PolarHBondContact N-O 2.78Å; F193-Q196 HydrophobicContact CB-CB 4.23Å; F193-Q196 HydrophobicContact CD1-CB 3.89Å; F193-Q196 HydrophobicContact CD1-CG 4.43Å; F193-Q196 VanDerWaalsContact CE1-OE1 3.24Å; F193-Q196 HydrophobicContact CG-CB 4.39Å; F193-Q196 PolarHBondContact O-N 2.89Å
197S58.8Low59.3Low47 Ų4737.4 Ų37.433%0.32920%0.199SC..EExtended strand (participates in β ladder)trans-78.3131.6176.6-61.10000110.5
198V65.2Low60.3Low1 Ų138.1 Ų38.11%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-130.4139.3-178-176.60000109.9W146 G147 V149 F193W146-V198 WeakPolarHBondContact CA-O 3.35Å; G147-V198 PolarHBondContact N-O 2.84Å; G147-V198 VanDerWaalsContact N-O 3.15Å; G147-V198 PolarHBondContact O-N 3.01Å; V149-V198 HydrophobicContact CG2-CB 4.3Å; V149-V198 HydrophobicContact CG2-CG2 3.84Å; F193-V198 HydrophobicContact CB-CG2 4.31Å; F193-V198 HydrophobicContact CD2-CG2 3.61Å; F193-V198 HydrophobicContact CE2-CG2 3.99Å; F193-V198 HydrophobicContact CG-CG2 4.04Å
199T61.6Low60.8Low10 Ų1048 Ų486%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-97.2120.4169.5-69.60000110.3A124 T201 T225 H226A124-T199 HydrophobicContact CB-CG2 3.15Å; T199-T201 HydrophobicContact CG2-CG2 4.19Å; T199-T225 WeakPolarHBondContact O-CA 3.4Å; T199-H226 PolarHBondContact N-O 3Å; T199-H226 PolarHBondContact O-N 3.02Å
200N66.5Low61.8Low0 Ų056.5 Ų56.50%027%0.272CS..EExtended strand (participates in β ladder)trans-110.9117.6174.8-67.9-83.8000110.1S144 V145 L203 E224 T225S144-N200 CarbonylContact C-O 3.57Å; S144-N200 VanDerWaalsContact CA-O 3.25Å; S144-N200 WeakPolarHBondContact CA-O 3.41Å; V145-N200 PolarHBondContact N-O 3.04Å; V145-N200 PolarHBondContact O-N 3.22Å; N200-L203 HydrophobicContact CB-CD1 3.83Å; N200-L203 HydrophobicContact CB-CD2 4.4Å; N200-L203 HydrophobicContact CB-CG 4.2Å; N200-E224 WeakPolarHBondContact CA-O 3.41Å; N200-T225 WeakPolarHBondContact OD1-CG2 3.33Å
201T65.7Low63.2Low26 Ų2657.4 Ų57.416%0.1628%0.276CS..EExtended strand (participates in β ladder)trans-93.3155-176.960.60000113.1S144 T199 L203 S223 E224S144-T201 WeakPolarHBondContact OG-CA 3.31Å; T199-T201 HydrophobicContact CG2-CG2 4.19Å; T201-L203 PolarHBondContact O-N 2.78Å; T201-S223 WeakPolarHBondContact O-CA 3.28Å; T201-S223 WeakPolarHBondContact O-CB 3.38Å; T201-S223 PolarHBondContact O-OG 3Å; T201-S223 VanDerWaalsContact O-OG 3.09Å; T201-E224 PolarHBondContact N-O 2.97Å; T201-E224 PolarHBondContact OG1-N 3.26Å; T201-E224 VanDerWaalsContact OG1-N 3.07Å; T201-E224 PolarHBondContact OG1-O 3.41Å
202A65.1Low63.9Low20 Ų2064.2 Ų64.217%0.16530%0.298CS..EExtended strand (participates in β ladder)trans55.434.7170.300000116.7V143 S144 T220 R222 S223V143-A202 PolarHBondContact O-N 2.98Å; S144-A202 PolarHBondContact OG-N 3.35Å; A202-T220 PolarHBondContact O-OG1 3.3Å; A202-T220 VanDerWaalsContact O-OG1 3.12Å; A202-R222 HydrophobicContact CB-CB 4.42Å; A202-S223 PolarHBondContact O-OG 2.8Å; A202-S223 VanDerWaalsContact O-OG 3.06Å
203L75.3Confident64.5Low0 Ų064.8 Ų64.80%031%0.308CS..EExtended strand (participates in β ladder)trans-72.4137.8175-61.4177.4000111.4R142 V143 V145 V177 N200 T201 L217 V219R142-L203 CarbonylContact C-O 3.55Å; R142-L203 VanDerWaalsContact CA-O 3.23Å; R142-L203 WeakPolarHBondContact CA-O 3.42Å; V143-L203 HydrophobicContact CG2-CB 4.29Å; V143-L203 PolarHBondContact N-O 2.7Å; V143-L203 PolarHBondContact O-N 3.15Å; V145-L203 HydrophobicContact CB-CD1 4.3Å; V145-L203 HydrophobicContact CG2-CD1 4.15Å; V177-L203 HydrophobicContact CG1-CD1 4.31Å; V177-L203 HydrophobicContact CG1-CD2 4.09Å; V177-L203 HydrophobicContact CG2-CD1 4.35Å; N200-L203 HydrophobicContact CB-CD1 3.83Å; N200-L203 HydrophobicContact CB-CD2 4.4Å; N200-L203 HydrophobicContact CB-CG 4.2Å; T201-L203 PolarHBondContact O-N 2.78Å; L203-L217 HydrophobicContact CB-CB 4.23Å; L203-L217 HydrophobicContact CB-CD2 4.5Å; L203-L217 HydrophobicContact CD1-CB 4.2Å; L203-L217 HydrophobicContact CD1-CD1 3.93Å; L203-V219 HydrophobicContact CD2-CG2 3.85Å
204R76.6Confident65.1Low128 Ų12867.8 Ų67.848%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-100.8133.3-178-176.5-178-177.4179.83.9112Q141 C206 L217 C218 T220Q141-R204 WeakPolarHBondContact O-CA 3.5Å; R204-C206 PolarHBondContact O-N 3.38Å; R204-L217 CarbonylContact O-C 3.52Å; R204-C218 PolarHBondContact N-O 2.94Å; R204-C218 PolarHBondContact O-N 2.68Å; R204-T220 HydrophobicContact CB-CG2 3.74Å
205V75.6Confident66.1Low5 Ų566.4 Ų66.43%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-70.4120.5172-179.50000111.4V133 L134 G140 Q141 L217V133-V205 HydrophobicContact CG1-CG2 3.99Å; L134-V205 HydrophobicContact CD2-CG1 3.86Å; L134-V205 HydrophobicContact CD2-CG2 4.24Å; G140-V205 PolarHBondContact N-O 2.88Å; G140-V205 VanDerWaalsContact N-O 3.16Å; Q141-V205 PolarHBondContact O-N 3.23Å; V205-L217 HydrophobicContact CG2-CD2 3.92Å
206C74Confident67.4Low30 Ų3061.2 Ų61.220%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-121.6164.4-179.6-68.60000111.9R204 G215 V216 C218R204-C206 PolarHBondContact O-N 3.38Å; C206-G215 CarbonylContact O-C 3.58Å; C206-G215 VanDerWaalsContact O-CA 3.23Å; C206-G215 WeakPolarHBondContact O-CA 3.27Å; C206-V216 WeakPolarHBondContact CA-O 3.39Å; C206-V216 WeakPolarHBondContact CB-O 3.45Å; C206-V216 PolarHBondContact N-O 2.82Å; C206-V216 PolarHBondContact O-N 3.38Å; C206-C218 HydrophobicContact CB-CB 4.26Å; C206-C218 WeakPolarHBondContact CB-SG 3.47Å; C206-C218 WeakPolarHBondContact SG-CB 3.48Å; C206-C218 CovalentContact SG-SG 2.04Å; C206-C218 PolarHBondContact SG-SG 2.73Å
207V71.3Confident68.5Low71 Ų7156.4 Ų56.443%0.4326%0.264SS..EExtended strand (participates in β ladder)trans-127.2131.5171.9-178.30000109.2
208L72.3Confident69.3Low26 Ų2655.1 Ų55.114%0.13626%0.255CS..  trans-89.2122.2175-71.1173.7000110.1F165 L178 R210 W211 V216 Y428 L432F165-L208 HydrophobicContact CE1-CD1 4Å; F165-L208 HydrophobicContact CZ-CD1 3.8Å; L178-L208 HydrophobicContact CD2-CD2 4.33Å; L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 3.36Å; L208-W211 HydrophobicContact CB-CB 4.02Å; L208-W211 HydrophobicContact CD1-CB 4.46Å; L208-W211 HydrophobicContact CD1-CE3 4.21Å; L208-W211 PolarHBondContact O-N 2.72Å; L208-V216 HydrophobicContact CD1-CG2 3.68Å; L208-V216 HydrophobicContact CG-CG2 4.06Å; L208-Y428 HydrophobicContact CD1-CD1 3.94Å; L208-Y428 HydrophobicContact CD1-CE1 4.19Å; L208-Y428 HydrophobicContact CD2-CE1 4.25Å; L208-L432 HydrophobicContact CD1-CD1 3.97Å
209R63.7Low69.6Low245 Ų24556.4 Ų56.493%0.92526%0.263SS*.THydrogen-bonded Turntrans-63.8-23.4-172.8-71.6-175.5176.8179.4-1.4115
210R67.2Low69.8Low200 Ų20057.1 Ų57.176%0.75527%0.267SS*.THydrogen-bonded Turntrans-108.6-9.2-177-72.9-167.7177-169.8-0.6114.7L208 Y428L208-R210 VanDerWaalsContact C-N 3.27Å; L208-R210 PolarHBondContact O-N 3.36Å; R210-Y428 HydrophobicContact CB-CD2 4.29Å; R210-Y428 HydrophobicContact CB-CE2 4.39Å
211W74.4Confident69.6Low20 Ų2063.7 Ų63.78%0.07630%0.303CS..SBendtrans-94.7139.5174.2-174.748000108.8P176 L208 G213 N214 V216 L432 D433P176-W211 HydrophobicContact CG-CH2 4.08Å; P176-W211 HydrophobicContact CG-CZ3 4.39Å; L208-W211 HydrophobicContact CB-CB 4.02Å; L208-W211 HydrophobicContact CD1-CB 4.46Å; L208-W211 HydrophobicContact CD1-CE3 4.21Å; L208-W211 PolarHBondContact O-N 2.72Å; W211-G213 VanDerWaalsContact C-N 3.34Å; W211-G213 PolarHBondContact O-N 3.13Å; W211-N214 HydrophobicContact CD2-CB 3.98Å; W211-N214 HydrophobicContact CE3-CB 3.51Å; W211-N214 HydrophobicContact CH2-CB 3.29Å; W211-N214 HydrophobicContact CZ2-CB 3.76Å; W211-N214 WeakPolarHBondContact CZ2-ND2 3.49Å; W211-N214 HydrophobicContact CZ3-CB 3.15Å; W211-V216 HydrophobicContact CE3-CG2 3.88Å; W211-V216 HydrophobicContact CZ3-CG2 3.5Å; W211-V216 VanDerWaalsContact CZ3-CG2 3.5Å; W211-L432 HydrophobicContact CD2-CB 4.44Å; W211-L432 HydrophobicContact CD2-CD1 3.63Å; W211-L432 HydrophobicContact CE3-CD1 3.72Å; W211-L432 HydrophobicContact CG-CD1 4.17Å; W211-L432 HydrophobicContact CH2-CB 4.24Å; W211-L432 HydrophobicContact CH2-CD1 4.1Å; W211-L432 HydrophobicContact CZ2-CB 3.61Å; W211-L432 HydrophobicContact CZ2-CD1 4.03Å; W211-L432 HydrophobicContact CZ2-CG 4.42Å; W211-L432 HydrophobicContact CZ3-CD1 3.95Å; W211-D433 PolarHBondContact NE1-OD1 2.98Å
212R61Low69.1Low222 Ų22270.2 Ų70.284%0.83832%0.324SS*.SBendtrans-60.884-169.4-68.9-175.4-179.5-162.9-0.7112.9N214R212-N214 PolarHBondContact O-N 2.82Å
213G55Low69Low36 Ų3669.7 Ų69.737%0.37132%0.319SS..SBendtrans62.47.6163.400000117.5R137 W211R137-G213 PolarHBondContact NH2-O 3.31Å; W211-G213 VanDerWaalsContact C-N 3.34Å; W211-G213 PolarHBondContact O-N 3.13Å
214N63.6Low68.2Low83 Ų8374.9 Ų74.944%0.44434%0.343SS..  trans-91.4136.1-178.1-71.9-20.5000111.1W211 R212W211-N214 HydrophobicContact CD2-CB 3.98Å; W211-N214 HydrophobicContact CE3-CB 3.51Å; W211-N214 HydrophobicContact CH2-CB 3.29Å; W211-N214 HydrophobicContact CZ2-CB 3.76Å; W211-N214 WeakPolarHBondContact CZ2-ND2 3.49Å; W211-N214 HydrophobicContact CZ3-CB 3.15Å; R212-N214 PolarHBondContact O-N 2.82Å
215G68.5Low67.6Low13 Ų1369.3 Ų69.313%0.13432%0.324CS..EExtended strand (participates in β ladder)trans-76.2147.4174.700000111.3C206C206-G215 CarbonylContact O-C 3.58Å; C206-G215 VanDerWaalsContact O-CA 3.23Å; C206-G215 WeakPolarHBondContact O-CA 3.27Å
216V78.6Confident66.8Low0 Ų070 Ų700%033%0.327CS..EExtended strand (participates in β ladder)trans-124.1145.5174.7-179.40000108.7F165 P176 L178 C206 L208 W211F165-V216 HydrophobicContact CD1-CG1 4.36Å; F165-V216 HydrophobicContact CE1-CG1 4Å; F165-V216 HydrophobicContact CE1-CG2 4.49Å; P176-V216 HydrophobicContact CG-CG2 4.36Å; P176-V216 WeakPolarHBondContact O-CG1 3.35Å; L178-V216 HydrophobicContact CB-CG1 3.61Å; C206-V216 WeakPolarHBondContact CA-O 3.39Å; C206-V216 WeakPolarHBondContact CB-O 3.45Å; C206-V216 PolarHBondContact N-O 2.82Å; C206-V216 PolarHBondContact O-N 3.38Å; L208-V216 HydrophobicContact CD1-CG2 3.68Å; L208-V216 HydrophobicContact CG-CG2 4.06Å; W211-V216 HydrophobicContact CE3-CG2 3.88Å; W211-V216 HydrophobicContact CZ3-CG2 3.5Å; W211-V216 VanDerWaalsContact CZ3-CG2 3.5Å
217L79.3Confident65.9Low1 Ų170.7 Ų70.71%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-82.8122.2170.4-66.6178.9000110A130 L134 V143 V145 V175 P176 V177 L178 L203 R204 V205A130-L217 HydrophobicContact CB-CD1 4.45Å; L134-L217 HydrophobicContact CD1-CG 4.41Å; L134-L217 HydrophobicContact CD2-CD2 3.98Å; L134-L217 HydrophobicContact CD2-CG 4.26Å; V143-L217 HydrophobicContact CG2-CD1 4.46Å; V143-L217 HydrophobicContact CG2-CD2 3.72Å; V145-L217 HydrophobicContact CG2-CD1 3.85Å; V175-L217 HydrophobicContact CG1-CD1 3.6Å; V175-L217 HydrophobicContact CG1-CG 4.05Å; P176-L217 PolarHBondContact O-N 3.28Å; V177-L217 CarbonylContact C-O 3.5Å; V177-L217 VanDerWaalsContact CA-O 3.25Å; V177-L217 WeakPolarHBondContact CA-O 3.35Å; V177-L217 HydrophobicContact CG1-CB 4.44Å; V177-L217 WeakPolarHBondContact CG1-O 3.49Å; V177-L217 HydrophobicContact CG2-CB 4.25Å; L178-L217 PolarHBondContact N-O 3.45Å; L203-L217 HydrophobicContact CB-CB 4.23Å; L203-L217 HydrophobicContact CB-CD2 4.5Å; L203-L217 HydrophobicContact CD1-CB 4.2Å; L203-L217 HydrophobicContact CD1-CD1 3.93Å; R204-L217 CarbonylContact O-C 3.52Å; V205-L217 HydrophobicContact CG2-CD2 3.92Å
218C74.7Confident64.9Low20 Ų2073 Ų7314%0.13534%0.337CS..EExtended strand (participates in β ladder)trans-99.4135.9176.4-65.70000111.3L178 R204 C206L178-C218 WeakPolarHBondContact O-CA 3.33Å; R204-C218 PolarHBondContact N-O 2.94Å; R204-C218 PolarHBondContact O-N 2.68Å; C206-C218 HydrophobicContact CB-CB 4.26Å; C206-C218 WeakPolarHBondContact CB-SG 3.47Å; C206-C218 WeakPolarHBondContact SG-CB 3.48Å; C206-C218 CovalentContact SG-SG 2.04Å; C206-C218 PolarHBondContact SG-SG 2.73Å
219V72.1Confident63.4Low28 Ų2877.7 Ų77.717%0.1736%0.362CS..PPolyproline II helixtrans-65142.4166.2173.50000110.8V177 L178 V179 F187 L203V177-V219 HydrophobicContact CG1-CG2 4.16Å; L178-V219 PolarHBondContact O-N 3.11Å; V179-V219 HydrophobicContact CB-CG2 4.41Å; V179-V219 HydrophobicContact CG1-CB 4.49Å; V179-V219 HydrophobicContact CG1-CG2 4.37Å; V179-V219 HydrophobicContact CG2-CG2 3.83Å; F187-V219 HydrophobicContact CD1-CG1 4.45Å; F187-V219 HydrophobicContact CD1-CG2 3.93Å; F187-V219 HydrophobicContact CD2-CG1 3.89Å; F187-V219 HydrophobicContact CE1-CG1 3.98Å; F187-V219 HydrophobicContact CE1-CG2 3.76Å; F187-V219 HydrophobicContact CE2-CG1 3.38Å; F187-V219 HydrophobicContact CG-CG1 4.42Å; F187-V219 HydrophobicContact CG-CG2 4.4Å; F187-V219 HydrophobicContact CZ-CB 4.46Å; F187-V219 HydrophobicContact CZ-CG1 3.45Å; F187-V219 VanDerWaalsContact CZ-CG1 3.45Å; F187-V219 HydrophobicContact CZ-CG2 4.12Å; L203-V219 HydrophobicContact CD2-CG2 3.85Å
220T66.3Low61.9Low25 Ų2571.5 Ų71.515%0.15335%0.353CS..  trans-118.2172.3174.268.80000111.4A202 R204 R222 S223A202-T220 PolarHBondContact O-OG1 3.3Å; A202-T220 VanDerWaalsContact O-OG1 3.12Å; R204-T220 HydrophobicContact CB-CG2 3.74Å; T220-R222 PolarHBondContact O-N 3.14Å; T220-R222 VanDerWaalsContact O-N 3.14Å; T220-R222 PolarHBondContact OG1-N 3.46Å; T220-S223 PolarHBondContact N-OG 2.69Å; T220-S223 WeakPolarHBondContact O-CB 3.46Å; T220-S223 PolarHBondContact O-N 3.15Å; T220-S223 VanDerWaalsContact O-N 3.13Å; T220-S223 PolarHBondContact OG1-OG 2.66Å
221D61.1Low60Low139 Ų13970.2 Ų70.274%0.74336%0.356SS*.THydrogen-bonded Turntrans-57.4-19.7172.959-35.9000114
222R54.9Low57.8Low163 Ų16375.2 Ų75.262%0.61539%0.391SS*.THydrogen-bonded Turntrans-104.46.3179.5-52.9-165.7-170.7-178.9-6114.2A202 T220A202-R222 HydrophobicContact CB-CB 4.42Å; T220-R222 PolarHBondContact O-N 3.14Å; T220-R222 VanDerWaalsContact O-N 3.14Å; T220-R222 PolarHBondContact OG1-N 3.46Å
223S63Low56.2Low8 Ų872 Ų726%0.05639%0.39CS..  trans-83.8135.4-178.5-640000111.1F187 T201 A202 T220F187-S223 WeakPolarHBondContact CZ-O 3.1Å; T201-S223 WeakPolarHBondContact O-CA 3.28Å; T201-S223 WeakPolarHBondContact O-CB 3.38Å; T201-S223 PolarHBondContact O-OG 3Å; T201-S223 VanDerWaalsContact O-OG 3.09Å; A202-S223 PolarHBondContact O-OG 2.8Å; A202-S223 VanDerWaalsContact O-OG 3.06Å; T220-S223 PolarHBondContact N-OG 2.69Å; T220-S223 WeakPolarHBondContact O-CB 3.46Å; T220-S223 PolarHBondContact O-N 3.15Å; T220-S223 VanDerWaalsContact O-N 3.13Å; T220-S223 PolarHBondContact OG1-OG 2.66Å
224E59.8Low54.9Low109 Ų10975.7 Ų75.751%0.50941%0.407SS..  trans-127153.9176.5-60.1-174.6174.500111.4N200 T201 H226N200-E224 WeakPolarHBondContact CA-O 3.41Å; T201-E224 PolarHBondContact N-O 2.97Å; T201-E224 PolarHBondContact OG1-N 3.26Å; T201-E224 VanDerWaalsContact OG1-N 3.07Å; T201-E224 PolarHBondContact OG1-O 3.41Å; E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.35Å; E224-H226 IonicContact OE2-CE1 3.82Å; E224-H226 PolarHBondContact OE2-CE1 3.34Å; E224-H226 IonicContact OE2-NE2 3.06Å
225T62.4Low53.7Low12 Ų1280.4 Ų80.47%0.07443%0.431CS..EExtended strand (participates in β ladder)trans-119.6126.8179.362.40000112.6R186 F187 R189 T199 N200R186-T225 PolarHBondContact O-OG1 2.97Å; F187-T225 HydrophobicContact CD1-CG2 3.25Å; F187-T225 HydrophobicContact CE1-CG2 3.14Å; F187-T225 HydrophobicContact CG-CG2 4.15Å; F187-T225 HydrophobicContact CZ-CG2 3.93Å; R189-T225 PolarHBondContact NH1-O 2.96Å; R189-T225 VanDerWaalsContact NH1-O 3.14Å; T199-T225 WeakPolarHBondContact O-CA 3.4Å; N200-T225 WeakPolarHBondContact OD1-CG2 3.33Å
226H60.8Low51.8Low19 Ų1985.6 Ų85.69%0.08847%0.466CS..EExtended strand (participates in β ladder)trans-124.3119.9-174.5-47.5-49.5000110.6L121 T199 E224L121-H226 HydrophobicContact CD1-CB 4.13Å; L121-H226 WeakPolarHBondContact CD1-ND1 3.48Å; L121-H226 WeakPolarHBondContact CD2-CE1 3.32Å; L121-H226 WeakPolarHBondContact CD2-ND1 3.37Å; L121-H226 WeakPolarHBondContact CD2-NE2 3.35Å; T199-H226 PolarHBondContact N-O 3Å; T199-H226 PolarHBondContact O-N 3.02Å; E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.35Å; E224-H226 IonicContact OE2-CE1 3.82Å; E224-H226 PolarHBondContact OE2-CE1 3.34Å; E224-H226 IonicContact OE2-NE2 3.06Å
227P53.2Low49.3Very low44 Ų4488.9 Ų88.929%0.28650%0.5SS..EExtended strand (participates in β ladder)trans-82.2140.9168.831.8-31.3000110.3R189 F193R189-P227 VanDerWaalsContact NH1-CD 3.33Å; F193-P227 HydrophobicContact CE1-CB 4.26Å; F193-P227 HydrophobicContact CZ-CB 3.86Å; F193-P227 HydrophobicContact CZ-CG 4.44Å
228E51.9Low47Very low121 Ų12194.3 Ų94.357%0.56554%0.535SS*.PPolyproline II helixtrans-93.8137.3166.1-77.3-174.3149.400110.1
229D39.5Very low44.9Very low123 Ų12397.9 Ų97.966%0.65857%0.566SS**PPolyproline II helixtrans-73.8134.2168.1-76.8-37.3000108.1R118 E231R118-D229 IonicContact NH2-OD2 3.51Å; R118-D229 PolarHBondContact NH2-OD2 3.24Å; D229-E231 PolarHBondContact O-N 2.97Å
230P32.9Very low42.8Very low115 Ų115105 Ų10575%0.74760%0.597SS**PPolyproline II helixtrans-68.1117.1178.925.8-31.1000110
231E26.7Very low41Very low173 Ų173108.9 Ų108.981%0.80863%0.625SS**PPolyproline II helixtrans-61.7138.6165.2-105.7-161.1165.200110.1D229 L233D229-E231 PolarHBondContact O-N 2.97Å; E231-L233 PolarHBondContact O-N 3.33Å
232P29Very low39.5Very low126 Ų126109.4 Ų109.482%0.81863%0.628SS**  trans-76.9103177.629.4-30.1000110.1
233L27.4Very low38.5Very low155 Ų155110.2 Ų110.281%0.81264%0.639SS**  trans-86.4144.7163-80.4163.5000110.5E231E231-L233 PolarHBondContact O-N 3.33Å
234P28.1Very low36.9Very low113 Ų113118.6 Ų118.673%0.73468%0.682SS**  trans-70.2146.2-162.826.2-32.8000113.8S236P234-S236 PolarHBondContact O-N 3.24Å
235L38.1Very low35.8Very low181 Ų181121.5 Ų121.595%0.94870%0.7SS**  trans-46111.6168.5-74.8148000112.2
236S29.2Very low34.4Very low123 Ų123130 Ų13086%0.8674%0.741SS**  trans-168.7111.1145.854.70000111.2P234P234-S236 PolarHBondContact O-N 3.24Å
237G25.5Very low33Very low69 Ų69132.4 Ų132.471%0.71177%0.771SS**SBendtrans166121.4168.600000109.7
238P30.4Very low31.8Very low114 Ų114138.4 Ų138.474%0.7480%0.8SS**  trans-70.2146.6-161.528.4-32.9000112.6H240P238-H240 PolarHBondContact O-N 2.97Å
239A31.5Very low30.6Very low95 Ų95141.8 Ų141.879%0.78582%0.815SS**  trans-59.3120.5167.600000110.1
240H26.4Very low30.2Very low177 Ų177144.1 Ų144.182%0.81982%0.822SS**  trans-117.376.1155.8-80.4-66.1000108P238P238-H240 PolarHBondContact O-N 2.97Å
241S29Very low29.9Very low107 Ų107143 Ų14375%0.74882%0.823SS**  trans-94.3109.4145.4-75.80000106.2
242D30.3Very low29.9Very low151 Ų151143.6 Ų143.681%0.80783%0.826SS**  trans159.7143.6131.3-84.1-13.4000110.9
243Q33.8Very low30Very low180 Ų180143.1 Ų143.184%0.84182%0.823SS**  trans81.275.7167.3-59.3174.57.700118.5
244L28.3Very low30Very low183 Ų183144.2 Ų144.296%0.95882%0.824SS**  trans-142.668.4141.6-81178.9000109.8
245L37.1Very low30.2Very low170 Ų170148.3 Ų148.389%0.8983%0.833SS**  trans-147.654.7168.5-121.8162.4000109.8
246M34.3Very low29.8Very low192 Ų192146.4 Ų146.495%0.94682%0.823SS**SBendtrans-156.7119.8162.5-91.3-64.3-87.200106.8
247G30.2Very low29.7Very low68 Ų68146 Ų14670%0.70182%0.818SS**  trans116.663171.200000115.6
248L27.7Very low30.2Very low171 Ų171149.8 Ų149.890%0.89583%0.826SS**  trans-120.286.4143.6-77.8171.5000105.8E250L248-E250 PolarHBondContact O-N 3.39Å
249E27.7Very low30.1Very low192 Ų192153.1 Ų153.190%0.89783%0.832SS**  trans-58.7119.9161.2-72.4-177.2149.400107.2A251E249-A251 PolarHBondContact O-N 3.38Å; E249-A251 VanDerWaalsContact O-N 3.1Å
250E30.2Very low30.3Very low171 Ų171153.7 Ų153.780%0.79983%0.831SS**  trans-63.3107.6169.2-70.7-179147.400107.6L248 E252L248-E250 PolarHBondContact O-N 3.39Å; E250-E252 PolarHBondContact O-N 2.97Å
251A26.8Very low30.5Very low93 Ų93147.9 Ų147.977%0.76982%0.818SS**  trans-67.7115.9163.100000108E249 P253E249-A251 PolarHBondContact O-N 3.38Å; E249-A251 VanDerWaalsContact O-N 3.1Å; A251-P253 WeakPolarHBondContact O-CD 3.48Å
252E27.1Very low31.3Very low185 Ų185145.5 Ų145.586%0.86481%0.81SS**  trans-57126166.4-72.8-140141.900109.1E250 E254E250-E252 PolarHBondContact O-N 2.97Å; E252-E254 PolarHBondContact O-N 3.45Å
253P30.1Very low32.6Very low116 Ų116146.1 Ų146.175%0.75380%0.801SS**  trans-76.4115172.928.9-29000108.7A251 E255A251-P253 WeakPolarHBondContact O-CD 3.48Å; P253-E255 PolarHBondContact O-N 3.34Å
254E29.3Very low34.2Very low178 Ų178142.2 Ų142.283%0.83279%0.785SS**  trans-44136.8171-78.8-167147.900112E252 L256E252-E254 PolarHBondContact O-N 3.45Å; E254-L256 PolarHBondContact O-N 3.05Å
255E32.3Very low36.4Very low199 Ų199138.4 Ų138.493%0.9376%0.761SS**  trans-63.7100.2174.3-65.8-169.9149.100110.6P253P253-E255 PolarHBondContact O-N 3.34Å
256L27.8Very low38.4Very low141 Ų141136.7 Ų136.774%0.73875%0.748SS**  trans-97.4148.1164.4-72.5174000111.2E254E254-L256 PolarHBondContact O-N 3.05Å
257P28.5Very low40.9Very low115 Ų115128.6 Ų128.675%0.74771%0.711SS**  trans-68.3147-162.6-13.728.5000112.9Q259P257-Q259 PolarHBondContact O-N 3.49Å; P257-Q259 VanDerWaalsContact O-N 3.1Å
258V35.9Very low43.6Very low147 Ų147128.1 Ų128.189%0.89170%0.697SS**  trans-49.2107.7-178.1-179.30000112.3
259Q28.5Very low46.5Very low184 Ų184123.7 Ų123.786%0.8668%0.676SS**  trans-108.3126.9156-72.3-171.96.600109.7P257 G261P257-Q259 PolarHBondContact O-N 3.49Å; P257-Q259 VanDerWaalsContact O-N 3.1Å; Q259-G261 PolarHBondContact O-N 3.35Å
260S35.2Very low49.5Very low108 Ų108117.5 Ų117.576%0.75565%0.649SS**  trans-71.788.2-173.741.90000112.8
261G31.1Very low52.4Low54 Ų54113 Ų11356%0.55764%0.636SS**SBendtrans-156129.8165.700000109.7Q259 R263Q259-G261 PolarHBondContact O-N 3.35Å; G261-R263 PolarHBondContact O-N 2.87Å
262G45.4Very low55.4Low57 Ų57111.7 Ų111.759%0.58861%0.612SS**PPolyproline II helixtrans-59.8121.5-176.400000111.6I264G262-I264 PolarHBondContact O-N 3.07Å
263R58.2Low58.5Low164 Ų164109 Ų10962%0.61960%0.599SS**PPolyproline II helixtrans-65.2124175.1-73.4-177.9178.5-1781.4109G261 V445G261-R263 PolarHBondContact O-N 2.87Å; R263-V445 HydrophobicContact CB-CB 4.5Å; R263-V445 HydrophobicContact CB-CG2 4.21Å; R263-V445 WeakPolarHBondContact O-CB 3.47Å; R263-V445 WeakPolarHBondContact O-CG2 3.35Å; R263-V445 PolarHBondContact O-N 2.83Å
264I66.1Low61.4Low98 Ų98103.9 Ų103.950%0.50357%0.567SS.*EExtended strand (participates in β ladder)trans-96.1128.6171.7-63171.1000106.9G262 Q442G262-I264 PolarHBondContact O-N 3.07Å; I264-Q442 HydrophobicContact CG2-CB 3.77Å; I264-Q442 HydrophobicContact CG2-CG 3.87Å
265K74.9Confident64.4Low103 Ų10397.4 Ų97.445%0.44854%0.54SS..EExtended strand (participates in β ladder)trans-94136.5171.7-84.5177.3-174.4-173.70109.5Q442 V443 V445K265-Q442 WeakPolarHBondContact O-CA 3.46Å; K265-V443 PolarHBondContact N-O 3.01Å; K265-V443 PolarHBondContact O-N 3.45Å; K265-V445 HydrophobicContact CB-CG2 4.09Å; K265-V445 HydrophobicContact CD-CG2 3.69Å; K265-V445 HydrophobicContact CG-CG2 3.46Å; K265-V445 VanDerWaalsContact CG-CG2 3.46Å
266H79.4Confident67.2Low135 Ų13588 Ų8863%0.62550%0.496SS*.EExtended strand (participates in β ladder)trans-94141.2172.3-72.3-80.5000110.5D441H266-D441 WeakPolarHBondContact CA-O 3.18Å; H266-D441 PolarHBondContact ND1-O 3.02Å
267S86Confident70.2Confident22 Ų2282.5 Ų82.515%0.15447%0.469CS..PPolyproline II helixtrans-77.3153171.349.60000111.2H319 L440 D441S267-H319 PolarHBondContact OG-ND1 3.42Å; S267-L440 WeakPolarHBondContact CB-O 3.25Å; S267-L440 PolarHBondContact OG-O 2.89Å; S267-D441 PolarHBondContact N-O 3.1Å; S267-D441 WeakPolarHBondContact OG-CA 3.36Å
268S88.1Confident73Confident58 Ų5882.2 Ų82.241%0.40646%0.457SS..EExtended strand (participates in β ladder)trans-101.5140.2169.7550000109.4H319 F320S268-H319 CarbonylContact O-C 3.56Å; S268-H319 WeakPolarHBondContact O-CA 3.49Å; S268-F320 PolarHBondContact N-O 3.41Å; S268-F320 PolarHBondContact O-N 3.5Å; S268-F320 WeakPolarHBondContact OG-CD1 3.33Å
269V88.7Confident75.4Confident78 Ų7877.2 Ų77.247%0.47343%0.427SS..EExtended strand (participates in β ladder)trans-97.6119.8-179.1179.20000109.1Q317 V318V269-Q317 HydrophobicContact CG1-CB 4Å; V269-V318 CarbonylContact C-O 3.57Å; V269-V318 VanDerWaalsContact CA-O 3.32Å; V269-V318 WeakPolarHBondContact CA-O 3.3Å
270I90.8Very high78Confident62 Ų6272 Ų7232%0.31841%0.407SS..EExtended strand (participates in β ladder)trans-130.7171.1-17668.7170.8000112.1Q317 V318 F320 L333I270-Q317 PolarHBondContact O-N 3.35Å; I270-V318 HydrophobicContact CG1-CG2 4.1Å; I270-V318 PolarHBondContact N-O 2.98Å; I270-V318 WeakPolarHBondContact O-CG2 3.39Å; I270-V318 PolarHBondContact O-N 2.93Å; I270-F320 HydrophobicContact CD1-CB 3.88Å; I270-F320 HydrophobicContact CD1-CD2 4.31Å; I270-F320 HydrophobicContact CD1-CG 4.33Å; I270-F320 HydrophobicContact CG1-CB 4.11Å; I270-L333 HydrophobicContact CD1-CD2 3.86Å; I270-L333 HydrophobicContact CG1-CD2 4.26Å
271S89.1Confident80Confident75 Ų7567.5 Ų67.552%0.52438%0.375SS..EExtended strand (participates in β ladder)trans-111.1144.9162.3-57.80000109.1L315 H316S271-L315 CarbonylContact C-O 3.53Å; S271-L315 WeakPolarHBondContact CA-O 3.35Å; S271-L315 WeakPolarHBondContact CB-O 3.48Å; S271-H316 PolarHBondContact OG-ND1 3.28Å
272Y91.6Very high82.2Confident66 Ų6667.9 Ų67.926%0.25936%0.362SS..EExtended strand (participates in β ladder)trans-143.1139.1-175.7-171.2-92.3000110.2L289 D290 L315 L333Y272-L289 HydrophobicContact CD1-CD1 4.05Å; Y272-L289 HydrophobicContact CE1-CB 4.41Å; Y272-L289 HydrophobicContact CE1-CD1 3.96Å; Y272-D290 WeakPolarHBondContact CE1-OD2 3.43Å; Y272-D290 PolarHBondContact OH-OD2 2.53Å; Y272-L315 HydrophobicContact CD1-CD1 4.46Å; Y272-L315 PolarHBondContact N-O 2.85Å; Y272-L315 WeakPolarHBondContact O-CB 3.46Å; Y272-L315 PolarHBondContact O-N 3Å; Y272-L333 HydrophobicContact CD1-CD1 3.69Å; Y272-L333 HydrophobicContact CD2-CD1 4.21Å; Y272-L333 HydrophobicContact CE1-CD1 4.34Å; Y272-L333 HydrophobicContact CG-CD1 3.63Å
273Q91.8Very high83.6Confident129 Ų12965.5 Ų65.560%0.60334%0.337SS*.EExtended strand (participates in β ladder)trans-122.1131.6172.1-173.2-177.239.900107.8V313 E314Q273-V313 WeakPolarHBondContact CA-O 3.38Å; Q273-E314 HydrophobicContact CB-CG 4.34Å; Q273-E314 HydrophobicContact CG-CG 3.78Å; Q273-E314 PolarHBondContact NE2-OE1 3.01Å
274G91.3Very high84.6Confident8 Ų857.7 Ų57.78%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-165178.1-176.500000113.1D290 V313G274-D290 WeakPolarHBondContact CA-OD2 3.34Å; G274-V313 PolarHBondContact N-O 3.1Å; G274-V313 PolarHBondContact O-N 3.11Å
275T91.9Very high85.4Confident43 Ų4353.4 Ų53.426%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-111.7132.2-179.8-51.60000110.3T277 L289 D290 D311 Q312T275-T277 PolarHBondContact O-N 3.01Å; T275-L289 CarbonylContact O-C 3.53Å; T275-L289 VanDerWaalsContact O-CA 3.29Å; T275-L289 WeakPolarHBondContact O-CA 3.17Å; T275-D290 PolarHBondContact N-OD1 2.91Å; T275-D290 PolarHBondContact O-N 2.81Å; T275-D311 WeakPolarHBondContact CA-O 3.36Å; T275-Q312 HydrophobicContact CG2-CG 4.47Å
276V91.4Very high86Confident0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-66.8115.9172.5-178.20000108.5Y287 L289 L307 P309 G310 D311 V313V276-Y287 HydrophobicContact CG1-CD1 4.38Å; V276-L289 HydrophobicContact CB-CD2 4.31Å; V276-L289 HydrophobicContact CG2-CD2 3.71Å; V276-L307 HydrophobicContact CG2-CB 4.42Å; V276-L307 HydrophobicContact CG2-CD1 4.33Å; V276-P309 CarbonylContact O-C 3.6Å; V276-P309 WeakPolarHBondContact O-CA 3.45Å; V276-G310 PolarHBondContact O-N 2.82Å; V276-D311 HydrophobicContact CB-CB 4.47Å; V276-D311 HydrophobicContact CG2-CB 4.19Å; V276-D311 PolarHBondContact N-O 2.9Å; V276-V313 HydrophobicContact CG2-CG1 4.09Å; V276-V313 HydrophobicContact CG2-CG2 4.4Å
277T89.4Confident86.6Confident27 Ų2743 Ų4317%0.16624%0.241CC..EExtended strand (participates in β ladder)trans-99.8-31.5-178.651.50000112.7T275 L288 R291T275-T277 PolarHBondContact O-N 3.01Å; T277-L288 PolarHBondContact N-O 2.96Å; T277-L288 PolarHBondContact OG1-O 2.84Å; T277-R291 HydrophobicContact CG2-CG 3.71Å; T277-R291 PolarHBondContact OG1-N 3.08Å
278E87.6Confident86.9Confident109 Ų10943 Ų4351%0.50924%0.239SC..EExtended strand (participates in β ladder)trans-148.9145-178.5-173.7-179.2174.500110.6L288E278-L288 HydrophobicContact CB-CB 3.98Å; E278-L288 HydrophobicContact CB-CD2 4.32Å; E278-L288 PolarHBondContact N-O 3.21Å; E278-L288 PolarHBondContact O-N 2.8Å
279V85.9Confident87.1Confident42 Ų4240.2 Ų40.226%0.25522%0.22SC..EExtended strand (participates in β ladder)trans-98.9106.3170-179.50000107.1E282 Y287 P309V279-E282 HydrophobicContact CG1-CB 3.88Å; V279-E282 HydrophobicContact CG1-CG 4.46Å; V279-Y287 HydrophobicContact CB-CD1 4.31Å; V279-Y287 HydrophobicContact CB-CE1 4.47Å; V279-Y287 HydrophobicContact CG1-CD1 4.1Å; V279-Y287 HydrophobicContact CG1-CE1 3.88Å; V279-Y287 HydrophobicContact CG2-CD1 3.97Å; V279-Y287 HydrophobicContact CG2-CE1 4.07Å; V279-P309 HydrophobicContact CG2-CG 4.04Å
280V83.3Confident87.2Confident73 Ų7339.1 Ų39.144%0.44221%0.211SC..EExtended strand (participates in β ladder)trans-75.4-50.3-176.4179.60000110.1L286 L288 F328V280-L286 HydrophobicContact CB-CB 4.15Å; V280-L286 PolarHBondContact N-O 3.02Å; V280-L288 HydrophobicContact CG2-CB 4.37Å; V280-F328 HydrophobicContact CG1-CE1 4.47Å
281N78.8Confident87.1Confident15 Ų1543.7 Ų43.78%0.0822%0.224CC..EExtended strand (participates in β ladder)trans-155107173.4-174.5-37000109.4G283 A284 G285 L286N281-G283 PolarHBondContact OD1-N 2.83Å; N281-A284 HydrophobicContact CB-CB 3.89Å; N281-A284 CarbonylContact O-C 3.51Å; N281-A284 PolarHBondContact O-N 2.88Å; N281-A284 WeakPolarHBondContact OD1-CB 3.29Å; N281-A284 PolarHBondContact OD1-N 3.18Å; N281-G285 PolarHBondContact O-N 3.28Å; N281-L286 HydrophobicContact CB-CB 4.39Å; N281-L286 PolarHBondContact N-O 2.91Å; N281-L286 PolarHBondContact O-N 2.79Å
282E77.3Confident87.1Confident62 Ų6248 Ų4829%0.2923%0.233SC..THydrogen-bonded Turntrans-63.4-45.3-176.1-165.6-174.4144.700112.5V279 A284 G285 K306V279-E282 HydrophobicContact CG1-CB 3.88Å; V279-E282 HydrophobicContact CG1-CG 4.46Å; E282-A284 VanDerWaalsContact C-N 3.27Å; E282-A284 PolarHBondContact O-N 2.89Å; E282-G285 PolarHBondContact O-N 3.04Å; E282-K306 WeakPolarHBondContact OE1-CD 3.28Å; E282-K306 WeakPolarHBondContact OE1-CE 3.34Å; E282-K306 WeakPolarHBondContact OE1-CG 3.28Å; E282-K306 IonicContact OE1-NZ 3.72Å; E282-K306 PolarHBondContact OE1-NZ 2.8Å
283G74.6Confident87.1Confident6 Ų645.8 Ų45.86%0.06223%0.227CC..THydrogen-bonded Turntrans-68.6-23.9179.600000113.8N281 P365N281-G283 PolarHBondContact OD1-N 2.83Å; G283-P365 WeakPolarHBondContact O-CD 3.46Å
284A78Confident87.2Confident0 Ų039.7 Ų39.70%020%0.199CC..THydrogen-bonded Turntrans-90.2-3.3170.300000113.2N281 E282 L286 L364 Y378N281-A284 HydrophobicContact CB-CB 3.89Å; N281-A284 CarbonylContact O-C 3.51Å; N281-A284 PolarHBondContact O-N 2.88Å; N281-A284 WeakPolarHBondContact OD1-CB 3.29Å; N281-A284 PolarHBondContact OD1-N 3.18Å; E282-A284 VanDerWaalsContact C-N 3.27Å; E282-A284 PolarHBondContact O-N 2.89Å; A284-L286 VanDerWaalsContact C-N 3.27Å; A284-L286 HydrophobicContact CB-CD1 3.97Å; A284-L286 HydrophobicContact CB-CG 3.96Å; A284-L286 PolarHBondContact O-N 2.78Å; A284-L364 HydrophobicContact CB-CD1 4.42Å; A284-Y378 VanDerWaalsContact CA-OH 3.29Å; A284-Y378 WeakPolarHBondContact CA-OH 3.5Å; A284-Y378 WeakPolarHBondContact CB-OH 3.47Å; A284-Y378 PolarHBondContact O-OH 2.75Å
285G83.8Confident87.3Confident9 Ų939.3 Ų39.39%0.09320%0.195CC..THydrogen-bonded Turntrans60.735-176.600000113.7N281 E282 Y287 L297N281-G285 PolarHBondContact O-N 3.28Å; E282-G285 PolarHBondContact O-N 3.04Å; G285-Y287 VanDerWaalsContact C-CE2 3.44Å; G285-L297 PolarHBondContact O-N 2.96Å
286L88.3Confident87.3Confident5 Ų537.3 Ų37.33%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-105124.4178.7-61.5175.9000110.7V280 N281 A284 L295 C296 F328 Y378 L379 C382V280-L286 HydrophobicContact CB-CB 4.15Å; V280-L286 PolarHBondContact N-O 3.02Å; N281-L286 HydrophobicContact CB-CB 4.39Å; N281-L286 PolarHBondContact N-O 2.91Å; N281-L286 PolarHBondContact O-N 2.79Å; A284-L286 VanDerWaalsContact C-N 3.27Å; A284-L286 HydrophobicContact CB-CD1 3.97Å; A284-L286 HydrophobicContact CB-CG 3.96Å; A284-L286 PolarHBondContact O-N 2.78Å; L286-L295 WeakPolarHBondContact CA-O 3.29Å; L286-C296 HydrophobicContact CD2-CB 3.97Å; L286-F328 HydrophobicContact CD1-CE1 3.8Å; L286-F328 HydrophobicContact CD1-CZ 3.98Å; L286-Y378 HydrophobicContact CD2-CE1 4.3Å; L286-L379 HydrophobicContact CD1-CD2 4.45Å; L286-L379 HydrophobicContact CD2-CD2 3.7Å; L286-C382 HydrophobicContact CD1-CB 3.9Å
287Y90.2Very high87.2Confident15 Ų1538.2 Ų38.26%0.05919%0.187CC..EExtended strand (participates in β ladder)trans-135.2159.8-176.2-54.6-91.2000110.9V276 V279 G285 G294 L295 L297 L307V276-Y287 HydrophobicContact CG1-CD1 4.38Å; V279-Y287 HydrophobicContact CB-CD1 4.31Å; V279-Y287 HydrophobicContact CB-CE1 4.47Å; V279-Y287 HydrophobicContact CG1-CD1 4.1Å; V279-Y287 HydrophobicContact CG1-CE1 3.88Å; V279-Y287 HydrophobicContact CG2-CD1 3.97Å; V279-Y287 HydrophobicContact CG2-CE1 4.07Å; G285-Y287 VanDerWaalsContact C-CE2 3.44Å; Y287-G294 CarbonylContact O-C 3.54Å; Y287-G294 WeakPolarHBondContact O-CA 3.36Å; Y287-L295 HydrophobicContact CD2-CD2 4.5Å; Y287-L295 PolarHBondContact N-O 2.74Å; Y287-L295 PolarHBondContact O-N 2.82Å; Y287-L297 HydrophobicContact CD2-CD1 4.15Å; Y287-L297 HydrophobicContact CD2-CG 4.34Å; Y287-L297 HydrophobicContact CE2-CD1 3.74Å; Y287-L297 HydrophobicContact CE2-CG 4.2Å; Y287-L307 HydrophobicContact CD1-CB 4.09Å; Y287-L307 HydrophobicContact CD2-CD1 4.36Å; Y287-L307 HydrophobicContact CE1-CB 3.7Å; Y287-L307 HydrophobicContact CE2-CD1 4.36Å; Y287-L307 HydrophobicContact CG-CD1 4.47Å
288L92.2Very high87Confident21 Ų2137.1 Ų37.111%0.1118%0.181CC..EExtended strand (participates in β ladder)trans-114.3126.4172-170.569000109.5T277 E278 V280 P329T277-L288 PolarHBondContact N-O 2.96Å; T277-L288 PolarHBondContact OG1-O 2.84Å; E278-L288 HydrophobicContact CB-CB 3.98Å; E278-L288 HydrophobicContact CB-CD2 4.32Å; E278-L288 PolarHBondContact N-O 3.21Å; E278-L288 PolarHBondContact O-N 2.8Å; V280-L288 HydrophobicContact CG2-CB 4.37Å; L288-P329 HydrophobicContact CD1-CG 3.7Å
289L92.7Very high86.9Confident0 Ų032.2 Ų32.20%016%0.158CC..EExtended strand (participates in β ladder)trans-101.3138.7173.8-53.6-179.7000110.1Y272 T275 V276 R291 K292 V293 L295 V313 L315 L333Y272-L289 HydrophobicContact CD1-CD1 4.05Å; Y272-L289 HydrophobicContact CE1-CB 4.41Å; Y272-L289 HydrophobicContact CE1-CD1 3.96Å; T275-L289 CarbonylContact O-C 3.53Å; T275-L289 VanDerWaalsContact O-CA 3.29Å; T275-L289 WeakPolarHBondContact O-CA 3.17Å; V276-L289 HydrophobicContact CB-CD2 4.31Å; V276-L289 HydrophobicContact CG2-CD2 3.71Å; L289-R291 PolarHBondContact O-N 2.73Å; L289-K292 PolarHBondContact O-N 3.26Å; L289-V293 HydrophobicContact CB-CB 4.38Å; L289-V293 PolarHBondContact N-O 2.59Å; L289-V293 PolarHBondContact O-N 2.76Å; L289-L295 HydrophobicContact CD1-CB 4.16Å; L289-L295 HydrophobicContact CD1-CD2 4.28Å; L289-L295 HydrophobicContact CD2-CD2 4.21Å; L289-L295 HydrophobicContact CG-CB 4.09Å; L289-L295 HydrophobicContact CG-CD2 4.44Å; L289-V313 HydrophobicContact CD1-CG2 4.31Å; L289-V313 HydrophobicContact CD2-CG2 3.84Å; L289-L315 HydrophobicContact CD1-CD1 3.92Å; L289-L333 HydrophobicContact CD1-CD1 4.18Å
290D91.8Very high86.7Confident54 Ų5431.1 Ų31.129%0.28915%0.15SC..THydrogen-bonded Turntrans50.927.3172.1-48.1-51000114.1Y272 G274 T275 K292Y272-D290 WeakPolarHBondContact CE1-OD2 3.43Å; Y272-D290 PolarHBondContact OH-OD2 2.53Å; G274-D290 WeakPolarHBondContact CA-OD2 3.34Å; T275-D290 PolarHBondContact N-OD1 2.91Å; T275-D290 PolarHBondContact O-N 2.81Å; D290-K292 PolarHBondContact O-N 3.13Å; D290-K292 VanDerWaalsContact O-N 3.11Å
291R87.6Confident86.4Confident158 Ų15829.6 Ų29.660%0.59614%0.142SC*.THydrogen-bonded Turntrans60.29.6-176-46-174.2-177.4165.10.8115.6S33 T277 L289S33-R291 PolarHBondContact O-NH2 3.03Å; T277-R291 HydrophobicContact CG2-CG 3.71Å; T277-R291 PolarHBondContact OG1-N 3.08Å; L289-R291 PolarHBondContact O-N 2.73Å
292K89.1Confident85.9Confident165 Ų16533.8 Ų33.872%0.71717%0.17SC*.THydrogen-bonded Turntrans-136.6-32-172.1-69.4-175.2179.9-179.90114.5L289 D290L289-K292 PolarHBondContact O-N 3.26Å; D290-K292 PolarHBondContact O-N 3.13Å; D290-K292 VanDerWaalsContact O-N 3.11Å
293V93Very high85.3Confident20 Ų2033.7 Ų33.712%0.12118%0.18CC..EExtended strand (participates in β ladder)trans-109.8120.7-170.6-178.10000109L289 L333L289-V293 HydrophobicContact CB-CB 4.38Å; L289-V293 PolarHBondContact N-O 2.59Å; L289-V293 PolarHBondContact O-N 2.76Å; V293-L333 HydrophobicContact CG1-CD1 3.75Å; V293-L333 HydrophobicContact CG1-CG 3.69Å
294G93.1Very high84.9Confident2 Ų237.9 Ų37.92%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-79.2147.8175.200000111.8Y287 S331 M332 L333Y287-G294 CarbonylContact O-C 3.54Å; Y287-G294 WeakPolarHBondContact O-CA 3.36Å; G294-S331 PolarHBondContact N-O 2.91Å; G294-M332 VanDerWaalsContact CA-SD 3.56Å; G294-M332 CarbonylContact O-C 3.55Å; G294-M332 WeakPolarHBondContact O-CA 3.5Å; G294-L333 PolarHBondContact O-N 3.35Å
295L93.4Very high84.7Confident0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-124.3129.7177.5174.566.6000110L286 Y287 L289 L297 L307 L315 L333 L341L286-L295 WeakPolarHBondContact CA-O 3.29Å; Y287-L295 HydrophobicContact CD2-CD2 4.5Å; Y287-L295 PolarHBondContact N-O 2.74Å; Y287-L295 PolarHBondContact O-N 2.82Å; L289-L295 HydrophobicContact CD1-CB 4.16Å; L289-L295 HydrophobicContact CD1-CD2 4.28Å; L289-L295 HydrophobicContact CD2-CD2 4.21Å; L289-L295 HydrophobicContact CG-CB 4.09Å; L289-L295 HydrophobicContact CG-CD2 4.44Å; L295-L297 HydrophobicContact CD1-CD2 3.93Å; L295-L297 HydrophobicContact CD2-CD2 4.15Å; L295-L297 HydrophobicContact CD2-CG 4.36Å; L295-L297 HydrophobicContact CG-CD2 3.99Å; L295-L297 HydrophobicContact CG-CG 4.25Å; L295-L307 HydrophobicContact CD2-CD1 4.22Å; L295-L315 HydrophobicContact CD1-CD1 3.77Å; L295-L315 HydrophobicContact CD1-CD2 4.31Å; L295-L333 CarbonylContact C-O 3.58Å; L295-L333 WeakPolarHBondContact CA-O 3.44Å; L295-L333 HydrophobicContact CD1-CB 4.09Å; L295-L341 HydrophobicContact CD2-CD1 4.38Å
296C91.4Very high84.3Confident0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-120.6116.5178.1178.10000110.9L286 M332 L333 C334 C335L286-C296 HydrophobicContact CD2-CB 3.97Å; C296-M332 HydrophobicContact CB-CE 4.42Å; C296-L333 PolarHBondContact N-O 2.72Å; C296-C334 HydrophobicContact CB-CB 4.46Å; C296-C335 PolarHBondContact O-N 2.85Å
297L89.2Confident84.2Confident19 Ų1943.2 Ų43.210%0.09921%0.214CC..  trans-103.62.6-179.7-58.2-175000113.8G285 Y287 L295 F299 Q300 L307 C335 L341G285-L297 PolarHBondContact O-N 2.96Å; Y287-L297 HydrophobicContact CD2-CD1 4.15Å; Y287-L297 HydrophobicContact CD2-CG 4.34Å; Y287-L297 HydrophobicContact CE2-CD1 3.74Å; Y287-L297 HydrophobicContact CE2-CG 4.2Å; L295-L297 HydrophobicContact CD1-CD2 3.93Å; L295-L297 HydrophobicContact CD2-CD2 4.15Å; L295-L297 HydrophobicContact CD2-CG 4.36Å; L295-L297 HydrophobicContact CG-CD2 3.99Å; L295-L297 HydrophobicContact CG-CG 4.25Å; L297-F299 PolarHBondContact O-N 2.89Å; L297-F299 VanDerWaalsContact O-N 3.1Å; L297-Q300 PolarHBondContact O-N 2.79Å; L297-L307 HydrophobicContact CD1-CD1 3.87Å; L297-C335 HydrophobicContact CD2-CB 3.89Å; L297-C335 WeakPolarHBondContact CD2-SG 3.49Å; L297-L341 HydrophobicContact CD1-CD1 3.83Å; L297-L341 HydrophobicContact CD2-CD1 3.6Å; L297-L341 HydrophobicContact CG-CD1 4.38Å
298A86.3Confident83.9Confident4 Ų444.2 Ų44.23%0.03322%0.218CC..THydrogen-bonded Turntrans-65-17.9-171.500000115.5Q300 P365 Y378A298-Q300 VanDerWaalsContact C-N 3.31Å; A298-P365 HydrophobicContact CB-CB 4.4Å; A298-P365 HydrophobicContact CB-CG 4.22Å; A298-Y378 HydrophobicContact CB-CD1 3.98Å; A298-Y378 HydrophobicContact CB-CE1 3.14Å; A298-Y378 HydrophobicContact CB-CE2 4.49Å; A298-Y378 VanDerWaalsContact CB-CZ 3.42Å; A298-Y378 VanDerWaalsContact CB-OH 3.31Å; A298-Y378 WeakPolarHBondContact CB-OH 3.36Å
299F85.6Confident83.7Confident7 Ų744.8 Ų44.83%0.03122%0.223CC..THydrogen-bonded Turntrans-90.22.9178.2-64-93.1000112.9L297 C335 R373 V375 Y378 R425 P439 L440L297-F299 PolarHBondContact O-N 2.89Å; L297-F299 VanDerWaalsContact O-N 3.1Å; F299-C335 WeakPolarHBondContact CB-O 3.42Å; F299-R373 WeakPolarHBondContact CE1-O 3.3Å; F299-V375 HydrophobicContact CE2-CB 4.04Å; F299-V375 HydrophobicContact CE2-CG2 4.15Å; F299-V375 HydrophobicContact CZ-CB 4.14Å; F299-Y378 HydrophobicContact CE2-CD1 4.3Å; F299-R425 PolarHBondContact O-NH1 2.83Å; F299-R425 PolarHBondContact O-NH2 2.79Å; F299-P439 HydrophobicContact CD1-CB 4.08Å; F299-P439 HydrophobicContact CD1-CG 4.22Å; F299-P439 HydrophobicContact CE1-CB 3.77Å; F299-P439 HydrophobicContact CE1-CG 4.29Å; F299-L440 HydrophobicContact CD1-CD2 4.38Å; F299-L440 HydrophobicContact CD2-CD2 3.71Å; F299-L440 HydrophobicContact CD2-CG 4.46Å; F299-L440 HydrophobicContact CE1-CD2 4.33Å; F299-L440 HydrophobicContact CE2-CD2 3.65Å; F299-L440 HydrophobicContact CG-CD2 4.09Å; F299-L440 HydrophobicContact CG-CG 4.44Å; F299-L440 HydrophobicContact CZ-CD2 3.97Å
300Q81.9Confident83.3Confident19 Ų1945.4 Ų45.49%0.08923%0.229CC..SBendtrans-108.6156171-69.2-172.9-31.500110.7P154 L297 A298 C335 C336 S339P154-Q300 HydrophobicContact CG-CG 4.22Å; L297-Q300 PolarHBondContact O-N 2.79Å; A298-Q300 VanDerWaalsContact C-N 3.31Å; Q300-C335 VanDerWaalsContact CD-CB 3.49Å; Q300-C335 HydrophobicContact CG-CB 4.01Å; Q300-C336 WeakPolarHBondContact CG-O 3.44Å; Q300-C336 PolarHBondContact NE2-O 2.71Å; Q300-S339 PolarHBondContact NE2-O 3.33Å
301P76.2Confident83.2Confident41 Ų4142.9 Ų42.927%0.26622%0.215SC..PPolyproline II helixtrans-56147.1167.127.2-36.6000110P154 L155 L156 A303P154-P301 HydrophobicContact CB-CG 3.91Å; L155-P301 WeakPolarHBondContact O-CG 3.38Å; L156-P301 HydrophobicContact CD2-CB 4.44Å; L156-P301 HydrophobicContact CD2-CG 3.94Å; P301-A303 PolarHBondContact O-N 2.98Å
302P69Low83.3Confident103 Ų10339.1 Ų39.167%0.66920%0.204SC*.PPolyproline II helixtrans-54.8126.9-178.720.2-30.1000110.2R304P302-R304 PolarHBondContact O-N 3Å
303A65.2Low83.3Confident60 Ų6031.2 Ų31.250%0.49617%0.17SC..PPolyproline II helixtrans-62137.6178.900000109.5P301 R305P301-A303 PolarHBondContact O-N 2.98Å; A303-R305 WeakPolarHBondContact CB-O 3.42Å; A303-R305 PolarHBondContact O-N 2.89Å
304R64.3Low83.1Confident93 Ų9332.6 Ų32.635%0.35118%0.175SC..SBendtrans-64.6-28.5-179.5-67.8-173.1173.5-1650.6113.4G56 R69 R188 P302G56-R304 VanDerWaalsContact C-NH1 3.33Å; G56-R304 PolarHBondContact O-NH1 3.38Å; G56-R304 PolarHBondContact O-NH2 3.02Å; R69-R304 PolarHBondContact NH2-O 3Å; R188-R304 VanDerWaalsContact NH2-NH1 3.17Å; P302-R304 PolarHBondContact O-N 3Å
305R73.7Confident82.9Confident26 Ų2632.5 Ų32.510%0.09817%0.174CC..SBendtrans-110.7128.1171.9177.7-177.4176.9-88.8-1.7107.5E71 E107 A303 D311 F346E71-R305 HydrophobicContact CG-CG 4.45Å; E107-R305 IonicContact OE1-CZ 3.32Å; E107-R305 IonicContact OE1-NE 3.05Å; E107-R305 PolarHBondContact OE1-NE 3.3Å; E107-R305 IonicContact OE1-NH2 2.79Å; E107-R305 PolarHBondContact OE1-NH2 3.48Å; A303-R305 WeakPolarHBondContact CB-O 3.42Å; A303-R305 PolarHBondContact O-N 2.89Å; R305-D311 IonicContact CZ-OD1 3.34Å; R305-D311 IonicContact CZ-OD2 3.51Å; R305-D311 VanDerWaalsContact CZ-OD2 3.31Å; R305-D311 IonicContact NH1-OD1 3.88Å; R305-D311 IonicContact NH1-OD2 3.35Å; R305-D311 PolarHBondContact NH1-OD2 3.1Å; R305-D311 VanDerWaalsContact NH2-CG 3.27Å; R305-D311 IonicContact NH2-OD1 3.36Å; R305-D311 PolarHBondContact NH2-OD1 2.74Å; R305-D311 IonicContact NH2-OD2 2.81Å; R305-D311 PolarHBondContact NH2-OD2 3.2Å; R305-F346 VanDerWaalsContact NH2-CD1 3.32Å
306K77.4Confident82.6Confident93 Ų9335.4 Ų35.440%0.40419%0.188SC..  trans-76.1138.9174.2-72.8153.6160.9-136.10109.4E282 D361E282-K306 WeakPolarHBondContact OE1-CD 3.28Å; E282-K306 WeakPolarHBondContact OE1-CE 3.34Å; E282-K306 WeakPolarHBondContact OE1-CG 3.28Å; E282-K306 IonicContact OE1-NZ 3.72Å; E282-K306 PolarHBondContact OE1-NZ 2.8Å; K306-D361 WeakPolarHBondContact CE-OD1 3.49Å; K306-D361 VanDerWaalsContact NZ-CG 3.32Å; K306-D361 IonicContact NZ-OD1 2.89Å; K306-D361 PolarHBondContact NZ-OD1 2.59Å; K306-D361 IonicContact NZ-OD2 2.97Å; K306-D361 PolarHBondContact NZ-OD2 3.34Å
307L85.1Confident82.3Confident8 Ų837.2 Ų37.24%0.04220%0.196CC..  trans-77.9140177.8-66.4177.8000110.1V276 Y287 L295 L297 V313 L341 V343V276-L307 HydrophobicContact CG2-CB 4.42Å; V276-L307 HydrophobicContact CG2-CD1 4.33Å; Y287-L307 HydrophobicContact CD1-CB 4.09Å; Y287-L307 HydrophobicContact CD2-CD1 4.36Å; Y287-L307 HydrophobicContact CE1-CB 3.7Å; Y287-L307 HydrophobicContact CE2-CD1 4.36Å; Y287-L307 HydrophobicContact CG-CD1 4.47Å; L295-L307 HydrophobicContact CD2-CD1 4.22Å; L297-L307 HydrophobicContact CD1-CD1 3.87Å; L307-V313 HydrophobicContact CD1-CG1 4.44Å; L307-V313 HydrophobicContact CD2-CG1 3.9Å; L307-L341 HydrophobicContact CD1-CD1 4.17Å; L307-L341 HydrophobicContact CD2-CD2 4.41Å; L307-V343 HydrophobicContact CD2-CG2 3.92Å
308R84.9Confident82.3Confident36 Ų3636.3 Ų36.314%0.13619%0.191CC..  trans-120.4152-179.5-60-176.1-63.8153.84110.7E107 G310 D311E107-R308 IonicContact OE1-CZ 2.94Å; E107-R308 IonicContact OE1-NE 2.86Å; E107-R308 IonicContact OE1-NH2 3.83Å; E107-R308 PolarHBondContact OE1-NH2 3.19Å; E107-R308 IonicContact OE2-NH2 3.28Å; E107-R308 PolarHBondContact OE2-NH2 3.04Å; R308-G310 PolarHBondContact O-N 2.87Å; R308-D311 PolarHBondContact N-OD2 3.33Å; R308-D311 WeakPolarHBondContact O-CB 3.31Å; R308-D311 PolarHBondContact O-N 3.47Å
309P86.9Confident82.6Confident33 Ų3336.1 Ų36.121%0.21419%0.19CC..THydrogen-bonded Turntrans-53.2128.6170.7-23.434.7000110L34 V276 V279 S347 V349L34-P309 HydrophobicContact CD1-CB 4.31Å; L34-P309 HydrophobicContact CD2-CB 4.48Å; V276-P309 CarbonylContact O-C 3.6Å; V276-P309 WeakPolarHBondContact O-CA 3.45Å; V279-P309 HydrophobicContact CG2-CG 4.04Å; P309-S347 WeakPolarHBondContact O-CB 3.22Å; P309-S347 PolarHBondContact O-OG 2.86Å; P309-V349 WeakPolarHBondContact O-CG2 3.38Å
310G85.2Confident83Confident13 Ų1338.6 Ų38.613%0.13420%0.201CC..THydrogen-bonded Turntrans98.4-10-176.200000115.2V276 R308 Q312V276-G310 PolarHBondContact O-N 2.82Å; R308-G310 PolarHBondContact O-N 2.87Å; G310-Q312 PolarHBondContact O-N 3.06Å
311D88.6Confident83.4Confident0 Ų038.1 Ų38.10%020%0.199CC..  trans-66131.9171.8-75.5-19.3000110.3T275 V276 R305 R308 S347T275-D311 WeakPolarHBondContact CA-O 3.36Å; V276-D311 HydrophobicContact CB-CB 4.47Å; V276-D311 HydrophobicContact CG2-CB 4.19Å; V276-D311 PolarHBondContact N-O 2.9Å; R305-D311 IonicContact CZ-OD1 3.34Å; R305-D311 IonicContact CZ-OD2 3.51Å; R305-D311 VanDerWaalsContact CZ-OD2 3.31Å; R305-D311 IonicContact NH1-OD1 3.88Å; R305-D311 IonicContact NH1-OD2 3.35Å; R305-D311 PolarHBondContact NH1-OD2 3.1Å; R305-D311 VanDerWaalsContact NH2-CG 3.27Å; R305-D311 IonicContact NH2-OD1 3.36Å; R305-D311 PolarHBondContact NH2-OD1 2.74Å; R305-D311 IonicContact NH2-OD2 2.81Å; R305-D311 PolarHBondContact NH2-OD2 3.2Å; R308-D311 PolarHBondContact N-OD2 3.33Å; R308-D311 WeakPolarHBondContact O-CB 3.31Å; R308-D311 PolarHBondContact O-N 3.47Å; D311-S347 WeakPolarHBondContact OD1-CB 3.43Å; D311-S347 PolarHBondContact OD1-N 3.13Å
312Q89.5Confident83.9Confident79 Ų7940.7 Ų40.737%0.36920%0.204SC..EExtended strand (participates in β ladder)trans-91128.7169.2-63.9-172.7-20.800109.3T275 G310 V343 S344 A345T275-Q312 HydrophobicContact CG2-CG 4.47Å; G310-Q312 PolarHBondContact O-N 3.06Å; Q312-V343 CarbonylContact O-C 3.45Å; Q312-V343 WeakPolarHBondContact O-CA 3.43Å; Q312-S344 WeakPolarHBondContact CB-OG 3.36Å; Q312-S344 PolarHBondContact O-N 2.8Å; Q312-S344 PolarHBondContact O-OG 2.86Å; Q312-A345 HydrophobicContact CB-CB 3.98Å; Q312-A345 HydrophobicContact CG-CB 4.16Å; Q312-A345 PolarHBondContact N-O 3.05Å
313V90.3Very high84.4Confident0 Ų043.5 Ų43.50%020%0.201CC..EExtended strand (participates in β ladder)trans-124.1141.1-174.4-63.50000111.4Q273 G274 V276 L289 L307 R342 V343Q273-V313 WeakPolarHBondContact CA-O 3.38Å; G274-V313 PolarHBondContact N-O 3.1Å; G274-V313 PolarHBondContact O-N 3.11Å; V276-V313 HydrophobicContact CG2-CG1 4.09Å; V276-V313 HydrophobicContact CG2-CG2 4.4Å; L289-V313 HydrophobicContact CD1-CG2 4.31Å; L289-V313 HydrophobicContact CD2-CG2 3.84Å; L307-V313 HydrophobicContact CD1-CG1 4.44Å; L307-V313 HydrophobicContact CD2-CG1 3.9Å; V313-R342 CarbonylContact C-O 3.52Å; V313-R342 VanDerWaalsContact CA-O 3.28Å; V313-R342 WeakPolarHBondContact CA-O 3.33Å; V313-V343 HydrophobicContact CG1-CG2 4.44Å
314E88.7Confident85.1Confident48 Ų4841.1 Ų41.122%0.22418%0.181CC..EExtended strand (participates in β ladder)trans-112.9122.1171-75170.1-167.300108.6Q273 R342 S344Q273-E314 HydrophobicContact CB-CG 4.34Å; Q273-E314 HydrophobicContact CG-CG 3.78Å; Q273-E314 PolarHBondContact NE2-OE1 3.01Å; E314-R342 HydrophobicContact CB-CB 4.42Å; E314-R342 PolarHBondContact N-O 2.63Å; E314-R342 PolarHBondContact O-N 3.05Å; E314-S344 WeakPolarHBondContact OE1-CB 3.37Å
315L89.2Confident85.6Confident1 Ų137.1 Ų37.11%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-114.2126.7-177.7-61.8172.6000108.5S271 Y272 L289 L295 V318 L333 S340 L341S271-L315 CarbonylContact C-O 3.53Å; S271-L315 WeakPolarHBondContact CA-O 3.35Å; S271-L315 WeakPolarHBondContact CB-O 3.48Å; Y272-L315 HydrophobicContact CD1-CD1 4.46Å; Y272-L315 PolarHBondContact N-O 2.85Å; Y272-L315 WeakPolarHBondContact O-CB 3.46Å; Y272-L315 PolarHBondContact O-N 3Å; L289-L315 HydrophobicContact CD1-CD1 3.92Å; L295-L315 HydrophobicContact CD1-CD1 3.77Å; L295-L315 HydrophobicContact CD1-CD2 4.31Å; L315-V318 HydrophobicContact CB-CG1 3.81Å; L315-V318 HydrophobicContact CB-CG2 4.07Å; L315-V318 HydrophobicContact CD2-CG1 4.4Å; L315-L333 HydrophobicContact CD1-CD1 3.79Å; L315-S340 WeakPolarHBondContact CA-O 3.38Å; L315-L341 HydrophobicContact CD2-CB 3.91Å; L315-L341 HydrophobicContact CD2-CD1 3.58Å; L315-L341 HydrophobicContact CD2-CG 3.68Å
316H85.6Confident85.6Confident61 Ų6139 Ų3928%0.28218%0.183SC..EExtended strand (participates in β ladder)trans-123.1143.5174.2-59.2-81.1000111.5S271 V318 S339 S340S271-H316 PolarHBondContact OG-ND1 3.28Å; H316-V318 VanDerWaalsContact C-N 3.31Å; H316-V318 PolarHBondContact O-N 3.34Å; H316-S339 WeakPolarHBondContact O-CA 3.34Å; H316-S340 WeakPolarHBondContact CB-OG 3.37Å; H316-S340 PolarHBondContact N-O 3.23Å; H316-S340 PolarHBondContact O-N 2.74Å
317Q85.7Confident85.5Confident37 Ų3738.6 Ų38.617%0.17319%0.185CC..EExtended strand (participates in β ladder)trans5445.7-178.8-57179.529.200112.2V269 I270 S339V269-Q317 HydrophobicContact CG1-CB 4Å; I270-Q317 PolarHBondContact O-N 3.35Å; Q317-S339 WeakPolarHBondContact O-CA 3.42Å; Q317-S339 WeakPolarHBondContact O-CB 3.4Å; Q317-S339 PolarHBondContact O-OG 3.23Å
318V90.1Very high85.4Confident0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-96148.2177.8-70.30000111.9V269 I270 L315 H316 L333 C335V269-V318 CarbonylContact C-O 3.57Å; V269-V318 VanDerWaalsContact CA-O 3.32Å; V269-V318 WeakPolarHBondContact CA-O 3.3Å; I270-V318 HydrophobicContact CG1-CG2 4.1Å; I270-V318 PolarHBondContact N-O 2.98Å; I270-V318 WeakPolarHBondContact O-CG2 3.39Å; I270-V318 PolarHBondContact O-N 2.93Å; L315-V318 HydrophobicContact CB-CG1 3.81Å; L315-V318 HydrophobicContact CB-CG2 4.07Å; L315-V318 HydrophobicContact CD2-CG1 4.4Å; H316-V318 VanDerWaalsContact C-N 3.31Å; H316-V318 PolarHBondContact O-N 3.34Å; V318-L333 HydrophobicContact CG2-CD2 4.19Å; V318-C335 VanDerWaalsContact CG1-SG 3.53Å
319H92.1Very high85.4Confident0 Ų040 Ų400%020%0.195CC..EExtended strand (participates in β ladder)trans-83.5117178.2-66-93.9000110.3S267 S268 L333 C334 C336 H436 L440 D441S267-H319 PolarHBondContact OG-ND1 3.42Å; S268-H319 CarbonylContact O-C 3.56Å; S268-H319 WeakPolarHBondContact O-CA 3.49Å; H319-L333 CarbonylContact O-C 3.58Å; H319-L333 WeakPolarHBondContact O-CA 3.36Å; H319-C334 HydrophobicContact CB-CB 4.43Å; H319-C334 PolarHBondContact N-O 2.76Å; H319-C334 PolarHBondContact O-N 2.86Å; H319-C336 PolarHBondContact NE2-SG 2.91Å; H319-C336 VanDerWaalsContact NE2-SG 3.38Å; H319-H436 AromaticContact CE1-CE1 3.78Å; H319-H436 AromaticContact CE1-NE2 3.64Å; H319-H436 AromaticContact NE2-CE1 3.36Å; H319-H436 PolarHBondContact NE2-CE1 3.07Å; H319-H436 AromaticContact NE2-NE2 3.12Å; H319-H436 PolarHBondContact NE2-NE2 3.01Å; H319-H436 VanDerWaalsContact NE2-NE2 3.12Å; H319-L440 HydrophobicContact CB-CB 4.04Å; H319-L440 HydrophobicContact CB-CD1 4.26Å; H319-D441 IonicContact CE1-OD1 2.72Å; H319-D441 PolarHBondContact CE1-OD1 3.34Å; H319-D441 IonicContact ND1-OD1 2.7Å; H319-D441 IonicContact NE2-OD1 3Å
320F93Very high85.4Confident60 Ų6041.4 Ų41.426%0.26320%0.204SC..EExtended strand (participates in β ladder)trans-87.7128.7169.1174-95000110.6S268 I270 L333S268-F320 PolarHBondContact N-O 3.41Å; S268-F320 PolarHBondContact O-N 3.5Å; S268-F320 WeakPolarHBondContact OG-CD1 3.33Å; I270-F320 HydrophobicContact CD1-CB 3.88Å; I270-F320 HydrophobicContact CD1-CD2 4.31Å; I270-F320 HydrophobicContact CD1-CG 4.33Å; I270-F320 HydrophobicContact CG1-CB 4.11Å; F320-L333 HydrophobicContact CB-CD2 4.15Å; F320-L333 HydrophobicContact CD2-CD2 3.98Å
321L89.9Confident85.7Confident9 Ų942.1 Ų42.15%0.04721%0.207CC..EExtended strand (participates in β ladder)trans-130127.8-179.8-71.6167000110.5P324 M332 V375 V443L321-P324 HydrophobicContact CB-CB 4.31Å; L321-P324 HydrophobicContact CB-CG 4.23Å; L321-M332 HydrophobicContact CB-CB 4.5Å; L321-M332 PolarHBondContact N-O 3.04Å; L321-M332 PolarHBondContact O-N 3.4Å; L321-V375 HydrophobicContact CD1-CG1 3.54Å; L321-V375 HydrophobicContact CD1-CG2 4.44Å; L321-V443 HydrophobicContact CD1-CG2 3.88Å; L321-V443 HydrophobicContact CD2-CB 4.29Å; L321-V443 HydrophobicContact CD2-CG2 3.46Å; L321-V443 VanDerWaalsContact CD2-CG2 3.46Å; L321-V443 HydrophobicContact CG-CG2 4.34Å
322Y87.1Confident85.9Confident95 Ų9542.2 Ų42.237%0.37321%0.208SC..EExtended strand (participates in β ladder)trans-97.6120.1176.1-170.6-102.3000111.8P330Y322-P330 CarbonylContact C-O 3.59Å; Y322-P330 VanDerWaalsContact CA-O 3.31Å; Y322-P330 WeakPolarHBondContact CA-O 3.11Å; Y322-P330 WeakPolarHBondContact CD2-O 3.21Å; Y322-P330 HydrophobicContact CE2-CB 4.1Å
323R80.3Confident86.1Confident161 Ų16138.5 Ų38.561%0.60819%0.19SC*.SBendtrans49.859.2-176.9-62.8179.7-176.5144.30.6113.5S325 P330R323-S325 VanDerWaalsContact C-N 3.33Å; R323-P330 HydrophobicContact CG-CB 3.91Å; R323-P330 PolarHBondContact N-O 3.36Å
324P78.7Confident86.2Confident11 Ų1138.5 Ų38.57%0.07119%0.19CC..SBendtrans-73-23.8176.531.2-35.5000113.3L321 M332 L379L321-P324 HydrophobicContact CB-CB 4.31Å; L321-P324 HydrophobicContact CB-CG 4.23Å; P324-M332 HydrophobicContact CG-CB 3.76Å; P324-M332 HydrophobicContact CG-CG 3.43Å; P324-M332 VanDerWaalsContact CG-CG 3.43Å; P324-L379 HydrophobicContact CB-CD1 4.15Å; P324-L379 HydrophobicContact CG-CD1 3.8Å
325S76.5Confident86.3Confident8 Ų836.2 Ų36.26%0.05618%0.18CC..  trans-146144.8175.9175.30000110R323 D327R323-S325 VanDerWaalsContact C-N 3.33Å; S325-D327 VanDerWaalsContact C-N 3.3Å; S325-D327 PolarHBondContact O-N 2.73Å; S325-D327 PolarHBondContact OG-N 3.47Å
326P72.7Confident86.3Confident67 Ų6736.1 Ų36.144%0.43518%0.179SC..THydrogen-bonded Turntrans-70.7-22.5177.729.3-36000113.9F328 P451P326-F328 VanDerWaalsContact C-N 3.34Å; P326-P451 HydrophobicContact CG-CB 3.96Å; P326-P451 HydrophobicContact CG-CG 4.37Å
327D75.4Confident86.4Confident83 Ų8333.3 Ų33.344%0.44417%0.166SC..THydrogen-bonded Turntrans-89.6-1.6-173.5-57.2-28.9000113S325 S383S325-D327 VanDerWaalsContact C-N 3.3Å; S325-D327 PolarHBondContact O-N 2.73Å; S325-D327 PolarHBondContact OG-N 3.47Å; D327-S383 WeakPolarHBondContact CB-OG 3.4Å; D327-S383 VanDerWaalsContact CG-OG 3.29Å; D327-S383 VanDerWaalsContact OD2-CB 3.29Å; D327-S383 WeakPolarHBondContact OD2-CB 3.46Å; D327-S383 PolarHBondContact OD2-OG 2.94Å
328F83.2Confident86.2Confident37 Ų3731.6 Ų31.616%0.16216%0.159CC..SBendtrans-123.8165.2-175.4-71.3-87000111V280 L286 P326 M332 L379 C382V280-F328 HydrophobicContact CG1-CE1 4.47Å; L286-F328 HydrophobicContact CD1-CE1 3.8Å; L286-F328 HydrophobicContact CD1-CZ 3.98Å; P326-F328 VanDerWaalsContact C-N 3.34Å; F328-M332 HydrophobicContact CB-SD 4.12Å; F328-L379 HydrophobicContact CD1-CD2 4.39Å; F328-L379 HydrophobicContact CD2-CB 3.9Å; F328-L379 HydrophobicContact CD2-CD2 4.3Å; F328-L379 HydrophobicContact CD2-CG 4.5Å; F328-L379 HydrophobicContact CE1-CD2 4.35Å; F328-L379 HydrophobicContact CE2-CB 3.83Å; F328-L379 HydrophobicContact CE2-CD2 4.25Å; F328-L379 WeakPolarHBondContact CE2-O 3.41Å; F328-L379 HydrophobicContact CG-CD2 4.36Å; F328-L379 HydrophobicContact CZ-CD2 4.27Å; F328-C382 HydrophobicContact CZ-CB 4.41Å
329P85.8Confident86Confident36 Ų3631.6 Ų31.623%0.23416%0.159CC..  trans-52147.6176-26.634.2000112.7L288 S331L288-P329 HydrophobicContact CD1-CG 3.7Å; P329-S331 PolarHBondContact O-N 3.32Å
330P85.8Confident85.5Confident63 Ų6332.9 Ų32.941%0.40917%0.167SC..SBendtrans-65.7-23-176.526.9-35.1000112.8Y322 R323Y322-P330 CarbonylContact C-O 3.59Å; Y322-P330 VanDerWaalsContact CA-O 3.31Å; Y322-P330 WeakPolarHBondContact CA-O 3.11Å; Y322-P330 WeakPolarHBondContact CD2-O 3.21Å; Y322-P330 HydrophobicContact CE2-CB 4.1Å; R323-P330 HydrophobicContact CG-CB 3.91Å; R323-P330 PolarHBondContact N-O 3.36Å
331S92.1Very high85.1Confident28 Ų2832.4 Ų32.420%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-109.2116.3176.7-66.30000109.4G294 P329G294-S331 PolarHBondContact N-O 2.91Å; P329-S331 PolarHBondContact O-N 3.32Å
332M92.9Very high84.7Confident2 Ų235.1 Ų35.11%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-120.6128.7178.7-67-64.2-64.600110.8G294 C296 L321 P324 F328 L379G294-M332 VanDerWaalsContact CA-SD 3.56Å; G294-M332 CarbonylContact O-C 3.55Å; G294-M332 WeakPolarHBondContact O-CA 3.5Å; C296-M332 HydrophobicContact CB-CE 4.42Å; L321-M332 HydrophobicContact CB-CB 4.5Å; L321-M332 PolarHBondContact N-O 3.04Å; L321-M332 PolarHBondContact O-N 3.4Å; P324-M332 HydrophobicContact CG-CB 3.76Å; P324-M332 HydrophobicContact CG-CG 3.43Å; P324-M332 VanDerWaalsContact CG-CG 3.43Å; F328-M332 HydrophobicContact CB-SD 4.12Å; M332-L379 HydrophobicContact CE-CD1 4.11Å; M332-L379 HydrophobicContact CE-CD2 3.99Å; M332-L379 HydrophobicContact CG-CD1 4.47Å
333L94.2Very high84.6Confident1 Ų131.7 Ų31.71%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-98.7124.2169.3-60.2177.6000109.1I270 Y272 L289 V293 G294 L295 C296 L315 V318 H319 F320I270-L333 HydrophobicContact CD1-CD2 3.86Å; I270-L333 HydrophobicContact CG1-CD2 4.26Å; Y272-L333 HydrophobicContact CD1-CD1 3.69Å; Y272-L333 HydrophobicContact CD2-CD1 4.21Å; Y272-L333 HydrophobicContact CE1-CD1 4.34Å; Y272-L333 HydrophobicContact CG-CD1 3.63Å; L289-L333 HydrophobicContact CD1-CD1 4.18Å; V293-L333 HydrophobicContact CG1-CD1 3.75Å; V293-L333 HydrophobicContact CG1-CG 3.69Å; G294-L333 PolarHBondContact O-N 3.35Å; L295-L333 CarbonylContact C-O 3.58Å; L295-L333 WeakPolarHBondContact CA-O 3.44Å; L295-L333 HydrophobicContact CD1-CB 4.09Å; C296-L333 PolarHBondContact N-O 2.72Å; L315-L333 HydrophobicContact CD1-CD1 3.79Å; V318-L333 HydrophobicContact CG2-CD2 4.19Å; H319-L333 CarbonylContact O-C 3.58Å; H319-L333 WeakPolarHBondContact O-CA 3.36Å; F320-L333 HydrophobicContact CB-CD2 4.15Å; F320-L333 HydrophobicContact CD2-CD2 3.98Å
334C92.4Very high84.7Confident0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-122.9125.8-176.9-620000110.1C296 H319 L440C296-C334 HydrophobicContact CB-CB 4.46Å; H319-C334 HydrophobicContact CB-CB 4.43Å; H319-C334 PolarHBondContact N-O 2.76Å; H319-C334 PolarHBondContact O-N 2.86Å; C334-L440 HydrophobicContact CB-CD1 3.56Å; C334-L440 HydrophobicContact CB-CD2 3.9Å; C334-L440 HydrophobicContact CB-CG 4.31Å; C334-L440 WeakPolarHBondContact O-CD1 3.23Å
335C90.5Very high85Confident0 Ų026.6 Ų26.60%016%0.157CC..  trans-94.1123.5-176.6-63.80000111.2C296 L297 F299 Q300 V318 S339C296-C335 PolarHBondContact O-N 2.85Å; L297-C335 HydrophobicContact CD2-CB 3.89Å; L297-C335 WeakPolarHBondContact CD2-SG 3.49Å; F299-C335 WeakPolarHBondContact CB-O 3.42Å; Q300-C335 VanDerWaalsContact CD-CB 3.49Å; Q300-C335 HydrophobicContact CG-CB 4.01Å; V318-C335 VanDerWaalsContact CG1-SG 3.53Å; C335-S339 WeakPolarHBondContact CA-OG 3.22Å
336C88.7Confident85.5Confident0 Ų027 Ų270%016%0.158CC..  trans-97.8-175.4171.864.40000111.1Q300 H319 G338 S339 E430 H436 C438 L440Q300-C336 WeakPolarHBondContact CG-O 3.44Å; Q300-C336 PolarHBondContact NE2-O 2.71Å; H319-C336 PolarHBondContact NE2-SG 2.91Å; H319-C336 VanDerWaalsContact NE2-SG 3.38Å; C336-G338 PolarHBondContact O-N 3.31Å; C336-G338 PolarHBondContact SG-N 3.11Å; C336-S339 PolarHBondContact N-OG 3.03Å; C336-S339 PolarHBondContact O-N 2.95Å; C336-S339 PolarHBondContact SG-N 3.03Å; C336-S339 VanDerWaalsContact SG-N 3.4Å; C336-S339 PolarHBondContact SG-OG 2.79Å; C336-E430 WeakPolarHBondContact CB-OE1 3.36Å; C336-H436 PolarHBondContact SG-NE2 3.04Å; C336-C438 HydrophobicContact CB-CB 4.15Å; C336-L440 HydrophobicContact CB-CD1 3.94Å
337L87Confident86.1Confident2 Ų223.9 Ų23.91%0.0114%0.138CC..THydrogen-bonded Turntrans-68.9-15.5171.8-64.8172.3000113.2R153 P154 L156 I427 E430 M431R153-L337 WeakPolarHBondContact CD-O 3.37Å; P154-L337 VanDerWaalsContact CD-O 3.27Å; P154-L337 WeakPolarHBondContact CD-O 3.46Å; L156-L337 HydrophobicContact CD1-CD2 4.49Å; L156-L337 HydrophobicContact CD2-CD2 3.87Å; L337-I427 HydrophobicContact CD1-CB 3.91Å; L337-I427 HydrophobicContact CD1-CG2 3.76Å; L337-E430 HydrophobicContact CB-CG 4.01Å; L337-E430 WeakPolarHBondContact CB-OE1 3.47Å; L337-E430 PolarHBondContact N-OE1 2.9Å; L337-M431 HydrophobicContact CB-CG 3.72Å; L337-M431 HydrophobicContact CD1-CG 4.49Å
338G81.8Confident86.6Confident1 Ų124.1 Ų24.11%0.0113%0.133CC..THydrogen-bonded Turntrans-78.9-23.3167.700000113.3R153 C336R153-G338 PolarHBondContact NH1-O 3.19Å; C336-G338 PolarHBondContact O-N 3.31Å; C336-G338 PolarHBondContact SG-N 3.11Å
339S86.8Confident86.4Confident0 Ų022.6 Ų22.60%013%0.126CC..  trans-78.4151.7-178.6-50.80000111.9Q300 H316 Q317 C335 C336Q300-S339 PolarHBondContact NE2-O 3.33Å; H316-S339 WeakPolarHBondContact O-CA 3.34Å; Q317-S339 WeakPolarHBondContact O-CA 3.42Å; Q317-S339 WeakPolarHBondContact O-CB 3.4Å; Q317-S339 PolarHBondContact O-OG 3.23Å; C335-S339 WeakPolarHBondContact CA-OG 3.22Å; C336-S339 PolarHBondContact N-OG 3.03Å; C336-S339 PolarHBondContact O-N 2.95Å; C336-S339 PolarHBondContact SG-N 3.03Å; C336-S339 VanDerWaalsContact SG-N 3.4Å; C336-S339 PolarHBondContact SG-OG 2.79Å
340S81.6Confident85.4Confident26 Ų2621.6 Ų21.618%0.18212%0.122CC..EExtended strand (participates in β ladder)trans-121.4137.1169.866.30000110.7V152 L315 H316V152-S340 VanDerWaalsContact O-CB 3.31Å; V152-S340 WeakPolarHBondContact O-CB 3.43Å; L315-S340 WeakPolarHBondContact CA-O 3.38Å; H316-S340 WeakPolarHBondContact CB-OG 3.37Å; H316-S340 PolarHBondContact N-O 3.23Å; H316-S340 PolarHBondContact O-N 2.74Å
341L84.8Confident84.3Confident50 Ų5021 Ų2126%0.26213%0.128SC..EExtended strand (participates in β ladder)trans-118.8127.5175.7-178.4152.8000108.9L295 L297 L307 L315L295-L341 HydrophobicContact CD2-CD1 4.38Å; L297-L341 HydrophobicContact CD1-CD1 3.83Å; L297-L341 HydrophobicContact CD2-CD1 3.6Å; L297-L341 HydrophobicContact CG-CD1 4.38Å; L307-L341 HydrophobicContact CD1-CD1 4.17Å; L307-L341 HydrophobicContact CD2-CD2 4.41Å; L315-L341 HydrophobicContact CD2-CB 3.91Å; L315-L341 HydrophobicContact CD2-CD1 3.58Å; L315-L341 HydrophobicContact CD2-CG 3.68Å
342R80.4Confident82.2Confident67 Ų6723.1 Ų23.125%0.25315%0.147SC..EExtended strand (participates in β ladder)trans-125.5143.2174.4-178.5179.4-178.9175.62.3109.9T73 C192 V313 E314T73-R342 PolarHBondContact O-NE 3.33Å; T73-R342 PolarHBondContact O-NH2 3.01Å; C192-R342 PolarHBondContact O-NH1 2.72Å; V313-R342 CarbonylContact C-O 3.52Å; V313-R342 VanDerWaalsContact CA-O 3.28Å; V313-R342 WeakPolarHBondContact CA-O 3.33Å; E314-R342 HydrophobicContact CB-CB 4.42Å; E314-R342 PolarHBondContact N-O 2.63Å; E314-R342 PolarHBondContact O-N 3.05Å
343V84.3Confident80Confident22 Ų2227.4 Ų27.413%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-92.6113.2168.9-179.20000107.3L307 Q312 V313 A345 F346L307-V343 HydrophobicContact CD2-CG2 3.92Å; Q312-V343 CarbonylContact O-C 3.45Å; Q312-V343 WeakPolarHBondContact O-CA 3.43Å; V313-V343 HydrophobicContact CG1-CG2 4.44Å; V343-A345 WeakPolarHBondContact CG1-O 3.38Å; V343-F346 HydrophobicContact CG1-CD1 3.79Å; V343-F346 HydrophobicContact CG1-CE1 4.03Å
344S83Confident77.7Confident33 Ų3337 Ų3723%0.23122%0.219CC..EExtended strand (participates in β ladder)trans-84.1-34-178.956.80000111.6Q312 E314Q312-S344 WeakPolarHBondContact CB-OG 3.36Å; Q312-S344 PolarHBondContact O-N 2.8Å; Q312-S344 PolarHBondContact O-OG 2.86Å; E314-S344 WeakPolarHBondContact OE1-CB 3.37Å
345A84.9Confident75.4Confident33 Ų3345.5 Ų45.527%0.27326%0.259SS..EExtended strand (participates in β ladder)trans-144.5142172.500000111.5Q312 V343Q312-A345 HydrophobicContact CB-CB 3.98Å; Q312-A345 HydrophobicContact CG-CB 4.16Å; Q312-A345 PolarHBondContact N-O 3.05Å; V343-A345 WeakPolarHBondContact CG1-O 3.38Å
346F87Confident73.2Confident17 Ų1749 Ų498%0.07528%0.284CS..  trans-79.2151177.9-61.2-54000112.4E71 T73 E107 L108 R305 V343E71-F346 HydrophobicContact CB-CE1 4.42Å; E71-F346 HydrophobicContact CB-CZ 4.1Å; T73-F346 HydrophobicContact CG2-CD2 3.86Å; T73-F346 HydrophobicContact CG2-CE1 4.23Å; T73-F346 HydrophobicContact CG2-CE2 3.52Å; T73-F346 HydrophobicContact CG2-CG 4.39Å; T73-F346 HydrophobicContact CG2-CZ 3.73Å; E107-F346 HydrophobicContact CB-CD1 4.42Å; E107-F346 HydrophobicContact CB-CD2 3.62Å; E107-F346 HydrophobicContact CB-CE2 3.74Å; E107-F346 HydrophobicContact CB-CG 3.96Å; E107-F346 HydrophobicContact CB-CZ 4.21Å; E107-F346 HydrophobicContact CG-CD1 4.41Å; E107-F346 HydrophobicContact CG-CD2 4.44Å; E107-F346 HydrophobicContact CG-CG 4.34Å; L108-F346 WeakPolarHBondContact O-CE2 3.33Å; R305-F346 VanDerWaalsContact NH2-CD1 3.32Å; V343-F346 HydrophobicContact CG1-CD1 3.79Å; V343-F346 HydrophobicContact CG1-CE1 4.03Å
347S86.1Confident71.1Confident1 Ų152.7 Ų52.71%0.00731%0.308CS..  trans-55.5140.4175.3-177.90000113.3P309 D311 V349P309-S347 WeakPolarHBondContact O-CB 3.22Å; P309-S347 PolarHBondContact O-OG 2.86Å; D311-S347 WeakPolarHBondContact OD1-CB 3.43Å; D311-S347 PolarHBondContact OD1-N 3.13Å; S347-V349 WeakPolarHBondContact OG-CG2 3.45Å; S347-V349 PolarHBondContact OG-N 2.88Å
348R84.9Confident69.2Low88 Ų8854.7 Ų54.733%0.33232%0.322SS..  trans-92-6.2178.3-58.1179.1-175.2173.25.9113.3W26 E29 A30 L40W26-R348 HydrophobicContact CH2-CB 4.06Å; W26-R348 WeakPolarHBondContact CH2-O 3.44Å; W26-R348 HydrophobicContact CZ2-CB 3.52Å; W26-R348 HydrophobicContact CZ2-CG 3.66Å; E29-R348 VanDerWaalsContact CD-NH1 3.27Å; E29-R348 IonicContact OE1-CZ 2.83Å; E29-R348 IonicContact OE1-NH1 3.39Å; E29-R348 PolarHBondContact OE1-NH1 2.76Å; E29-R348 IonicContact OE1-NH2 3.98Å; E29-R348 IonicContact OE2-NH1 3.59Å; A30-R348 HydrophobicContact CB-CB 3.6Å; L40-R348 PolarHBondContact N-O 3.03Å; L40-R348 VanDerWaalsContact N-O 3.11Å
349V80.1Confident67.3Low4 Ų459.7 Ų59.72%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-105.2141.7-175.8-67.50000111.8A30 L34 Q37 R38 P309 S347 G351A30-V349 HydrophobicContact CB-CG1 4.39Å; L34-V349 HydrophobicContact CD1-CG1 4.17Å; L34-V349 HydrophobicContact CD1-CG2 3.66Å; Q37-V349 HydrophobicContact CB-CB 4.06Å; Q37-V349 HydrophobicContact CB-CG1 3.99Å; Q37-V349 HydrophobicContact CB-CG2 4.26Å; R38-V349 CarbonylContact O-C 3.45Å; R38-V349 WeakPolarHBondContact O-CA 3.44Å; R38-V349 WeakPolarHBondContact O-CB 3.33Å; P309-V349 WeakPolarHBondContact O-CG2 3.38Å; S347-V349 WeakPolarHBondContact OG-CG2 3.45Å; S347-V349 PolarHBondContact OG-N 2.88Å; V349-G351 PolarHBondContact O-N 2.88Å
350G64.9Low65.6Low15 Ų1560.1 Ų60.116%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-73.6114.2173.200000108.8R38 L40 A352R38-G350 PolarHBondContact O-N 2.9Å; L40-G350 VanDerWaalsContact CD2-CA 3.48Å; G350-A352 PolarHBondContact O-N 3.13Å
351G62Low64.3Low52 Ų5264 Ų6454%0.53638%0.377SS..  trans-55.1106.4-177.200000111.2V349V349-G351 PolarHBondContact O-N 2.88Å
352A48.3Very low62.9Low72 Ų7262.5 Ų62.560%0.59537%0.374SS*.  trans-128.378.5161.300000106.8Q37 G350Q37-A352 PolarHBondContact NE2-O 3.35Å; Q37-A352 VanDerWaalsContact NE2-O 3.12Å; G350-A352 PolarHBondContact O-N 3.13Å
353S45.6Very low62.1Low92 Ų9261.9 Ų61.964%0.64338%0.377SS*.  trans-84.5122.5161.5177.10000107.3E355S353-E355 PolarHBondContact O-N 3.47Å
354K46.3Very low61.2Low201 Ų20161.2 Ų61.287%0.87437%0.373SS*.  trans-46.1128166-81.4174.8172.6175.60108.8S356K354-S356 PolarHBondContact O-N 3.5Å
355E44.4Very low60.4Low180 Ų18060.4 Ų60.484%0.84137%0.367SS*.  trans1.683.7164.1-65.1175170.700113.8S353 C357S353-E355 PolarHBondContact O-N 3.47Å; E355-C357 VanDerWaalsContact C-N 3.34Å; E355-C357 PolarHBondContact O-N 3.25Å
356S43.4Very low59.5Low74 Ų7463.3 Ų63.352%0.51738%0.377SS..  trans-71.1100.1164.762.60000106K354 C358K354-S356 PolarHBondContact O-N 3.5Å; S356-C358 PolarHBondContact O-N 2.94Å
357C44.8Very low58.4Low77 Ų7764.3 Ų64.352%0.5238%0.383SS..  trans-61.374.6175.4-70.10000111E355E355-C357 VanDerWaalsContact C-N 3.34Å; E355-C357 PolarHBondContact O-N 3.25Å
358C47.9Very low57.5Low44 Ų4464.6 Ų64.630%0.29739%0.385SS..  trans-148.783177.1-68.40000111.9S356 G360 V401S356-C358 PolarHBondContact O-N 2.94Å; C358-G360 PolarHBondContact O-N 3.03Å; C358-V401 HydrophobicContact CB-CG2 4.47Å
359P41.5Very low56.6Low105 Ų10562.8 Ų62.868%0.68238%0.381SS*.  trans-78.647.3168.132.7-33.5000111.8
360G50.8Low56Low9 Ų970.1 Ų70.19%0.09342%0.415CS..  trans-133.355.9-174.100000112.4C358 G362C358-G360 PolarHBondContact O-N 3.03Å; G360-G362 PolarHBondContact O-N 2.97Å
361D54.3Low55.9Low108 Ų10871.4 Ų71.458%0.57842%0.422SS*.THydrogen-bonded Turntrans-61.1114.5177.4-101.9-17.3000110.4K306 V363K306-D361 WeakPolarHBondContact CE-OD1 3.49Å; K306-D361 VanDerWaalsContact NZ-CG 3.32Å; K306-D361 IonicContact NZ-OD1 2.89Å; K306-D361 PolarHBondContact NZ-OD1 2.59Å; K306-D361 IonicContact NZ-OD2 2.97Å; K306-D361 PolarHBondContact NZ-OD2 3.34Å; D361-V363 VanDerWaalsContact C-N 3.28Å; D361-V363 PolarHBondContact O-N 2.73Å
362G57.1Low56.3Low18 Ų1869.9 Ų69.919%0.18640%0.401CS..THydrogen-bonded Turntrans75.8-13.6165.300000118.3G360 L364 L366G360-G362 PolarHBondContact O-N 2.97Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 3.3Å; G362-L366 WeakPolarHBondContact O-CD1 3.39Å; G362-L366 VanDerWaalsContact O-CG 3.27Å; G362-L366 WeakPolarHBondContact O-CG 2.93Å; G362-L366 PolarHBondContact O-N 2.68Å
363V62.3Low57.5Low54 Ų5468.6 Ų68.633%0.32738%0.381SS..Hα-helixtrans-67.6-32.5-176.8-170.60000112.6D361 L366 L367 H402D361-V363 VanDerWaalsContact C-N 3.28Å; D361-V363 PolarHBondContact O-N 2.73Å; V363-L366 PolarHBondContact O-N 3.38Å; V363-L367 HydrophobicContact CG1-CD1 4.29Å; V363-L367 HydrophobicContact CG1-CG 4.5Å; V363-L367 WeakPolarHBondContact O-CG 3.36Å; V363-L367 PolarHBondContact O-N 3.25Å; V363-L367 VanDerWaalsContact O-N 3.16Å; V363-H402 WeakPolarHBondContact CG1-CE1 3.37Å; V363-H402 WeakPolarHBondContact CG1-ND1 3.49Å
364L65.6Low59Low8 Ų864.6 Ų64.64%0.04236%0.355CS..Hα-helixtrans-63.1-59-179.7-67.8166000111.3A284 G362 L366 L367 L368 V401 F405A284-L364 HydrophobicContact CB-CD1 4.42Å; G362-L364 VanDerWaalsContact C-N 3.31Å; G362-L364 PolarHBondContact O-N 3.3Å; L364-L366 VanDerWaalsContact C-N 3.28Å; L364-L366 PolarHBondContact O-N 3.5Å; L364-L367 PolarHBondContact O-N 3.39Å; L364-L368 VanDerWaalsContact O-CD1 3.22Å; L364-L368 WeakPolarHBondContact O-CD1 3.27Å; L364-L368 PolarHBondContact O-N 2.86Å; L364-V401 HydrophobicContact CD1-CG1 4.19Å; L364-F405 HydrophobicContact CD2-CB 3.27Å; L364-F405 HydrophobicContact CD2-CD1 3.54Å; L364-F405 HydrophobicContact CD2-CD2 3.22Å; L364-F405 HydrophobicContact CD2-CE1 4.06Å; L364-F405 HydrophobicContact CD2-CE2 3.8Å; L364-F405 HydrophobicContact CD2-CG 3.05Å; L364-F405 HydrophobicContact CD2-CZ 4.18Å; L364-F405 HydrophobicContact CG-CG 4.5Å
365P66.4Low60.7Low16 Ų1655 Ų5510%0.10431%0.313CS..Hα-helixtrans-48.6-43.3169.2-31.834.1000114.6G283 A298 L367 L368 L369G283-P365 WeakPolarHBondContact O-CD 3.46Å; A298-P365 HydrophobicContact CB-CB 4.4Å; A298-P365 HydrophobicContact CB-CG 4.22Å; P365-L367 PolarHBondContact O-N 3.04Å; P365-L368 PolarHBondContact O-N 3.46Å; P365-L369 WeakPolarHBondContact O-CG 3.47Å; P365-L369 PolarHBondContact O-N 3.37Å
366L66Low62.4Low94 Ų9448.2 Ų48.249%0.49228%0.282SS..Hα-helixtrans-63.6-42.7-176-73.1168.2000113G362 V363 L364 L368 L369 Q370G362-L366 WeakPolarHBondContact O-CD1 3.39Å; G362-L366 VanDerWaalsContact O-CG 3.27Å; G362-L366 WeakPolarHBondContact O-CG 2.93Å; G362-L366 PolarHBondContact O-N 2.68Å; V363-L366 PolarHBondContact O-N 3.38Å; L364-L366 VanDerWaalsContact C-N 3.28Å; L364-L366 PolarHBondContact O-N 3.5Å; L366-L368 VanDerWaalsContact C-N 3.26Å; L366-L368 PolarHBondContact O-N 2.91Å; L366-L369 PolarHBondContact O-N 3.02Å; L366-Q370 WeakPolarHBondContact O-CG 3.3Å; L366-Q370 PolarHBondContact O-N 3.47Å
367L64.7Low64Low38 Ų3845.7 Ų45.720%0.19926%0.263CS..Hα-helixtrans-64.6-29.8177.1-73.9170.4000112.8V363 L364 P365 S371 F405 L409V363-L367 HydrophobicContact CG1-CD1 4.29Å; V363-L367 HydrophobicContact CG1-CG 4.5Å; V363-L367 WeakPolarHBondContact O-CG 3.36Å; V363-L367 PolarHBondContact O-N 3.25Å; V363-L367 VanDerWaalsContact O-N 3.16Å; L364-L367 PolarHBondContact O-N 3.39Å; P365-L367 PolarHBondContact O-N 3.04Å; L367-S371 PolarHBondContact O-N 3.21Å; L367-S371 PolarHBondContact O-OG 3.47Å; L367-F405 HydrophobicContact CB-CE1 3.89Å; L367-F405 HydrophobicContact CD1-CD1 3.7Å; L367-F405 HydrophobicContact CD1-CE1 3.92Å; L367-L409 HydrophobicContact CB-CD1 4.33Å; L367-L409 HydrophobicContact CD1-CD1 4.48Å
368L66.1Low65.7Low8 Ų842 Ų424%0.04224%0.238CC..Hα-helixtrans-77-38175.7-66.8143.1000112.3L364 P365 L366 Q370 S371 N372 R373 Y378 F405L364-L368 VanDerWaalsContact O-CD1 3.22Å; L364-L368 WeakPolarHBondContact O-CD1 3.27Å; L364-L368 PolarHBondContact O-N 2.86Å; P365-L368 PolarHBondContact O-N 3.46Å; L366-L368 VanDerWaalsContact C-N 3.26Å; L366-L368 PolarHBondContact O-N 2.91Å; L368-Q370 VanDerWaalsContact C-N 3.29Å; L368-Q370 PolarHBondContact O-N 3.24Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 PolarHBondContact O-N 3.5Å; L368-S371 PolarHBondContact O-OG 3.29Å; L368-N372 WeakPolarHBondContact O-CA 3.31Å; L368-N372 PolarHBondContact O-N 3Å; L368-R373 HydrophobicContact CD2-CB 4.11Å; L368-R373 PolarHBondContact O-N 3.29Å; L368-Y378 HydrophobicContact CD1-CD2 2.96Å; L368-Y378 HydrophobicContact CD1-CE2 2.95Å; L368-Y378 HydrophobicContact CD1-CG 3.8Å; L368-Y378 HydrophobicContact CD2-CD2 3.59Å; L368-Y378 HydrophobicContact CD2-CE2 4.42Å; L368-Y378 HydrophobicContact CD2-CG 4.13Å; L368-Y378 HydrophobicContact CG-CD2 3.86Å; L368-Y378 HydrophobicContact CG-CE2 4.22Å; L368-F405 HydrophobicContact CD1-CZ 3.93Å; L368-F405 HydrophobicContact CD2-CZ 4.17Å; L368-F405 HydrophobicContact CG-CZ 3.91Å
369L66.3Low67.3Low49 Ų4940 Ų4026%0.25722%0.224SC..Hα-helixtrans-63.9-37.1174.6-69.3179000111.3P365 L366 S371P365-L369 WeakPolarHBondContact O-CG 3.47Å; P365-L369 PolarHBondContact O-N 3.37Å; L366-L369 PolarHBondContact O-N 3.02Å; L369-S371 VanDerWaalsContact C-N 3.35Å
370Q66.7Low69.1Low158 Ų15836.4 Ų36.474%0.73820%0.197SC*.Hα-helixtrans-64.7-37.5173.5-74177.3-7.200112.6L366 L368L366-Q370 WeakPolarHBondContact O-CG 3.3Å; L366-Q370 PolarHBondContact O-N 3.47Å; L368-Q370 VanDerWaalsContact C-N 3.29Å; L368-Q370 PolarHBondContact O-N 3.24Å
371S63.7Low70.3Confident42 Ų4236 Ų3629%0.29419%0.192SC..Hα-helixtrans-94.2-0.1-177.755.60000114.7L367 L368 L369 R373L367-S371 PolarHBondContact O-N 3.21Å; L367-S371 PolarHBondContact O-OG 3.47Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 PolarHBondContact O-N 3.5Å; L368-S371 PolarHBondContact O-OG 3.29Å; L369-S371 VanDerWaalsContact C-N 3.35Å; S371-R373 VanDerWaalsContact C-N 3.3Å; S371-R373 PolarHBondContact O-N 3.26Å; S371-R373 VanDerWaalsContact OG-CG 3.27Å; S371-R373 WeakPolarHBondContact OG-CG 3.34Å
372N70.6Confident71.4Confident20 Ų2031.1 Ų31.111%0.10717%0.166CC..THydrogen-bonded Turntrans4249.7-178.5-161.327.6000114.4L368 R422 G423 P439L368-N372 WeakPolarHBondContact O-CA 3.31Å; L368-N372 PolarHBondContact O-N 3Å; N372-R422 WeakPolarHBondContact ND2-CB 3.45Å; N372-G423 PolarHBondContact ND2-O 3.38Å; N372-P439 WeakPolarHBondContact OD1-CG 3.33Å
373R72.9Confident72.3Confident45 Ų4530.9 Ų30.917%0.1716%0.162CC..  trans-82.2154.3-175.4-64.5-78.8177.1-179.52112.2F299 L368 S371F299-R373 WeakPolarHBondContact CE1-O 3.3Å; L368-R373 HydrophobicContact CD2-CB 4.11Å; L368-R373 PolarHBondContact O-N 3.29Å; S371-R373 VanDerWaalsContact C-N 3.3Å; S371-R373 PolarHBondContact O-N 3.26Å; S371-R373 VanDerWaalsContact OG-CG 3.27Å; S371-R373 WeakPolarHBondContact OG-CG 3.34Å
374G77.4Confident72.9Confident9 Ų928.5 Ų28.59%0.09315%0.147CC..  trans-72.2161.1174.300000112.9D376 Q377 Y378G374-D376 PolarHBondContact O-N 3.33Å; G374-Q377 PolarHBondContact O-N 3.14Å; G374-Y378 PolarHBondContact O-N 3.12Å
375V82.6Confident73.2Confident0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-66.2-33.7179.962.20000113.7F299 L321 Y378 L379 L440 V443F299-V375 HydrophobicContact CE2-CB 4.04Å; F299-V375 HydrophobicContact CE2-CG2 4.15Å; F299-V375 HydrophobicContact CZ-CB 4.14Å; L321-V375 HydrophobicContact CD1-CG1 3.54Å; L321-V375 HydrophobicContact CD1-CG2 4.44Å; V375-Y378 PolarHBondContact O-N 2.92Å; V375-L379 HydrophobicContact CG2-CD1 4.11Å; V375-L379 HydrophobicContact CG2-CG 4.25Å; V375-L379 VanDerWaalsContact O-CG 3.3Å; V375-L379 WeakPolarHBondContact O-CG 3.13Å; V375-L379 PolarHBondContact O-N 3.22Å; V375-L440 HydrophobicContact CB-CD2 3.7Å; V375-L440 HydrophobicContact CG1-CD2 4.17Å; V375-L440 HydrophobicContact CG2-CD2 4.19Å; V375-V443 HydrophobicContact CG1-CG1 4.46Å; V375-V443 HydrophobicContact CG1-CG2 3.6Å
376D78.7Confident73.4Confident36 Ų3629.9 Ų29.919%0.19316%0.158CC..Hα-helixtrans-60-48.3173.956.8-49.5000111.2G374 Y378 W380 V443G374-D376 PolarHBondContact O-N 3.33Å; D376-Y378 VanDerWaalsContact C-N 3.3Å; D376-Y378 PolarHBondContact O-N 3Å; D376-W380 WeakPolarHBondContact O-CB 3.16Å; D376-W380 PolarHBondContact O-N 3.26Å; D376-W380 VanDerWaalsContact O-N 3.09Å; D376-V443 HydrophobicContact CB-CG1 3.92Å
377Q78.2Confident73.6Confident22 Ų2227.8 Ų27.810%0.10315%0.146CC..Hα-helixtrans-64.7-38.1176.8-66.4176.512.500111.1G374 T381 L412 L416G374-Q377 PolarHBondContact O-N 3.14Å; Q377-T381 WeakPolarHBondContact O-CG2 3.31Å; Q377-T381 PolarHBondContact O-N 3.04Å; Q377-T381 PolarHBondContact O-OG1 3.29Å; Q377-L412 HydrophobicContact CB-CD2 4.12Å; Q377-L416 HydrophobicContact CG-CD1 4.13Å
378Y80Confident73.8Confident0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-65.7-49.8178175.4-129.7000113.2A284 L286 A298 F299 L368 G374 V375 D376 W380 T381 C382A284-Y378 VanDerWaalsContact CA-OH 3.29Å; A284-Y378 WeakPolarHBondContact CA-OH 3.5Å; A284-Y378 WeakPolarHBondContact CB-OH 3.47Å; A284-Y378 PolarHBondContact O-OH 2.75Å; L286-Y378 HydrophobicContact CD2-CE1 4.3Å; A298-Y378 HydrophobicContact CB-CD1 3.98Å; A298-Y378 HydrophobicContact CB-CE1 3.14Å; A298-Y378 HydrophobicContact CB-CE2 4.49Å; A298-Y378 VanDerWaalsContact CB-CZ 3.42Å; A298-Y378 VanDerWaalsContact CB-OH 3.31Å; A298-Y378 WeakPolarHBondContact CB-OH 3.36Å; F299-Y378 HydrophobicContact CE2-CD1 4.3Å; L368-Y378 HydrophobicContact CD1-CD2 2.96Å; L368-Y378 HydrophobicContact CD1-CE2 2.95Å; L368-Y378 HydrophobicContact CD1-CG 3.8Å; L368-Y378 HydrophobicContact CD2-CD2 3.59Å; L368-Y378 HydrophobicContact CD2-CE2 4.42Å; L368-Y378 HydrophobicContact CD2-CG 4.13Å; L368-Y378 HydrophobicContact CG-CD2 3.86Å; L368-Y378 HydrophobicContact CG-CE2 4.22Å; G374-Y378 PolarHBondContact O-N 3.12Å; V375-Y378 PolarHBondContact O-N 2.92Å; D376-Y378 VanDerWaalsContact C-N 3.3Å; D376-Y378 PolarHBondContact O-N 3Å; Y378-W380 VanDerWaalsContact C-N 3.26Å; Y378-W380 PolarHBondContact O-N 3.47Å; Y378-T381 PolarHBondContact O-N 2.95Å; Y378-T381 PolarHBondContact O-OG1 2.94Å; Y378-C382 WeakPolarHBondContact CE2-SG 3.34Å; Y378-C382 PolarHBondContact O-N 3.48Å
379L82Confident73.8Confident0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-61.1-41.5179.3-68.7174.8000110.2L286 P324 F328 M332 V375 C382 S383L286-L379 HydrophobicContact CD1-CD2 4.45Å; L286-L379 HydrophobicContact CD2-CD2 3.7Å; P324-L379 HydrophobicContact CB-CD1 4.15Å; P324-L379 HydrophobicContact CG-CD1 3.8Å; F328-L379 HydrophobicContact CD1-CD2 4.39Å; F328-L379 HydrophobicContact CD2-CB 3.9Å; F328-L379 HydrophobicContact CD2-CD2 4.3Å; F328-L379 HydrophobicContact CD2-CG 4.5Å; F328-L379 HydrophobicContact CE1-CD2 4.35Å; F328-L379 HydrophobicContact CE2-CB 3.83Å; F328-L379 HydrophobicContact CE2-CD2 4.25Å; F328-L379 WeakPolarHBondContact CE2-O 3.41Å; F328-L379 HydrophobicContact CG-CD2 4.36Å; F328-L379 HydrophobicContact CZ-CD2 4.27Å; M332-L379 HydrophobicContact CE-CD1 4.11Å; M332-L379 HydrophobicContact CE-CD2 3.99Å; M332-L379 HydrophobicContact CG-CD1 4.47Å; V375-L379 HydrophobicContact CG2-CD1 4.11Å; V375-L379 HydrophobicContact CG2-CG 4.25Å; V375-L379 VanDerWaalsContact O-CG 3.3Å; V375-L379 WeakPolarHBondContact O-CG 3.13Å; V375-L379 PolarHBondContact O-N 3.22Å; L379-C382 PolarHBondContact O-N 2.94Å; L379-S383 PolarHBondContact O-N 3.36Å
380W78.6Confident73.6Confident31 Ų3130.9 Ų30.912%0.11716%0.163CC..Hα-helixtrans-61.6-43.8175.2-175.280.7000112.8D376 Y378 C382 S383 L384 V411 L412 L452D376-W380 WeakPolarHBondContact O-CB 3.16Å; D376-W380 PolarHBondContact O-N 3.26Å; D376-W380 VanDerWaalsContact O-N 3.09Å; Y378-W380 VanDerWaalsContact C-N 3.26Å; Y378-W380 PolarHBondContact O-N 3.47Å; W380-C382 VanDerWaalsContact C-N 3.34Å; W380-C382 PolarHBondContact O-N 3.35Å; W380-S383 PolarHBondContact O-N 3.05Å; W380-L384 HydrophobicContact CH2-CD2 3.63Å; W380-L384 HydrophobicContact CZ2-CD2 4.15Å; W380-L384 HydrophobicContact CZ3-CD2 3.86Å; W380-L384 WeakPolarHBondContact O-CB 3.38Å; W380-L384 PolarHBondContact O-N 2.97Å; W380-V411 HydrophobicContact CH2-CG1 3.96Å; W380-L412 HydrophobicContact CE3-CD1 3.61Å; W380-L412 HydrophobicContact CZ3-CB 3.97Å; W380-L412 HydrophobicContact CZ3-CD1 3.57Å; W380-L412 HydrophobicContact CZ3-CG 4.38Å; W380-L452 HydrophobicContact CZ2-CB 4.15Å; W380-L452 PolarHBondContact NE1-O 2.97Å
381T76.7Confident73.1Confident0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-66.5-34.6177.1530000112.9Q377 Y378 A385 L409 L412Q377-T381 WeakPolarHBondContact O-CG2 3.31Å; Q377-T381 PolarHBondContact O-N 3.04Å; Q377-T381 PolarHBondContact O-OG1 3.29Å; Y378-T381 PolarHBondContact O-N 2.95Å; Y378-T381 PolarHBondContact O-OG1 2.94Å; T381-A385 VanDerWaalsContact O-CB 3.26Å; T381-A385 WeakPolarHBondContact O-CB 3.47Å; T381-A385 PolarHBondContact O-N 3.33Å; T381-L409 HydrophobicContact CG2-CD2 4.25Å; T381-L412 HydrophobicContact CG2-CB 4.27Å; T381-L412 HydrophobicContact CG2-CD2 3.79Å; T381-L412 HydrophobicContact CG2-CG 4.42Å
382C76Confident72.7Confident5 Ų524 Ų243%0.03413%0.128CC..Hα-helixtrans-64.3-46172.8-80.90000112.4L286 F328 Y378 L379 W380 A385 C386L286-C382 HydrophobicContact CD1-CB 3.9Å; F328-C382 HydrophobicContact CZ-CB 4.41Å; Y378-C382 WeakPolarHBondContact CE2-SG 3.34Å; Y378-C382 PolarHBondContact O-N 3.48Å; L379-C382 PolarHBondContact O-N 2.94Å; W380-C382 VanDerWaalsContact C-N 3.34Å; W380-C382 PolarHBondContact O-N 3.35Å; C382-A385 PolarHBondContact O-N 2.93Å; C382-C386 WeakPolarHBondContact O-CB 3.36Å; C382-C386 PolarHBondContact O-N 3.35Å; C382-C386 PolarHBondContact O-SG 2.83Å
383S77.3Confident71.7Confident14 Ų1431 Ų3110%0.09815%0.153CC..Hα-helixtrans-57.9-49.6175.1178.60000110.6D327 L379 W380 A385 C386 Q387D327-S383 WeakPolarHBondContact CB-OG 3.4Å; D327-S383 VanDerWaalsContact CG-OG 3.29Å; D327-S383 VanDerWaalsContact OD2-CB 3.29Å; D327-S383 WeakPolarHBondContact OD2-CB 3.46Å; D327-S383 PolarHBondContact OD2-OG 2.94Å; L379-S383 PolarHBondContact O-N 3.36Å; W380-S383 PolarHBondContact O-N 3.05Å; S383-A385 PolarHBondContact O-N 2.7Å; S383-C386 PolarHBondContact O-N 3.39Å; S383-Q387 WeakPolarHBondContact O-CG 3.46Å; S383-Q387 PolarHBondContact O-N 3.5Å; S383-Q387 PolarHBondContact OG-NE2 2.99Å; S383-Q387 VanDerWaalsContact OG-NE2 3.12Å
384L73.4Confident70.2Confident3 Ų332.1 Ų32.12%0.01617%0.168CC..Hα-helixtrans-60.6-47.6178.8179.354.1000112.5W380 C386 Q387 L388 V411 V454W380-L384 HydrophobicContact CH2-CD2 3.63Å; W380-L384 HydrophobicContact CZ2-CD2 4.15Å; W380-L384 HydrophobicContact CZ3-CD2 3.86Å; W380-L384 WeakPolarHBondContact O-CB 3.38Å; W380-L384 PolarHBondContact O-N 2.97Å; L384-C386 VanDerWaalsContact C-N 3.27Å; L384-C386 PolarHBondContact O-N 3.21Å; L384-Q387 PolarHBondContact O-N 3.16Å; L384-Q387 VanDerWaalsContact O-N 3.14Å; L384-L388 HydrophobicContact CD1-CD1 4.1Å; L384-L388 HydrophobicContact CD1-CG 4.01Å; L384-L388 HydrophobicContact CG-CD1 4.07Å; L384-L388 HydrophobicContact CG-CG 4.42Å; L384-L388 WeakPolarHBondContact O-CG 3.15Å; L384-L388 PolarHBondContact O-N 3.2Å; L384-V411 HydrophobicContact CD2-CB 4.36Å; L384-V411 HydrophobicContact CD2-CG1 4.45Å; L384-V454 HydrophobicContact CD1-CB 3.78Å; L384-V454 HydrophobicContact CD1-CG1 3.96Å; L384-V454 HydrophobicContact CD1-CG2 3.29Å; L384-V454 HydrophobicContact CD2-CG2 4.47Å; L384-V454 HydrophobicContact CG-CG2 4.46Å
385A73.1Confident68.5Low6 Ų642 Ų425%0.0521%0.208CC..Hα-helixtrans-61.4-37.2179.600000111.8T381 C382 S383 A389 F405 S408T381-A385 VanDerWaalsContact O-CB 3.26Å; T381-A385 WeakPolarHBondContact O-CB 3.47Å; T381-A385 PolarHBondContact O-N 3.33Å; C382-A385 PolarHBondContact O-N 2.93Å; S383-A385 PolarHBondContact O-N 2.7Å; A385-A389 WeakPolarHBondContact O-CB 3.04Å; A385-A389 PolarHBondContact O-N 3.09Å; A385-F405 HydrophobicContact CB-CD2 4.34Å; A385-S408 PolarHBondContact N-OG 2.98Å
386C71.1Confident66.4Low47 Ų4747.7 Ų47.732%0.31824%0.243SC..Hα-helixtrans-68-41174.8-64.40000111.8C382 S383 L384 A389 H390C382-C386 WeakPolarHBondContact O-CB 3.36Å; C382-C386 PolarHBondContact O-N 3.35Å; C382-C386 PolarHBondContact O-SG 2.83Å; S383-C386 PolarHBondContact O-N 3.39Å; L384-C386 VanDerWaalsContact C-N 3.27Å; L384-C386 PolarHBondContact O-N 3.21Å; C386-A389 PolarHBondContact O-N 3.37Å; C386-H390 PolarHBondContact O-CD2 2.88Å; C386-H390 PolarHBondContact O-N 3Å
387Q70.4Confident64.7Low51 Ų5149 Ų4924%0.23825%0.252CS..Hα-helixtrans-62.2-45175.8-70.4173.323.100111.6S383 L384 H390 S391S383-Q387 WeakPolarHBondContact O-CG 3.46Å; S383-Q387 PolarHBondContact O-N 3.5Å; S383-Q387 PolarHBondContact OG-NE2 2.99Å; S383-Q387 VanDerWaalsContact OG-NE2 3.12Å; L384-Q387 PolarHBondContact O-N 3.16Å; L384-Q387 VanDerWaalsContact O-N 3.14Å; Q387-H390 PolarHBondContact O-N 3.21Å; Q387-S391 PolarHBondContact O-N 3.04Å
388L67.1Low63Low7 Ų757.7 Ų57.74%0.03729%0.293CS..Hα-helixtrans-64.7-38.9176.7-66.9175.2000112.5L384 H390 S391 E392 Y404 V518L384-L388 HydrophobicContact CD1-CD1 4.1Å; L384-L388 HydrophobicContact CD1-CG 4.01Å; L384-L388 HydrophobicContact CG-CD1 4.07Å; L384-L388 HydrophobicContact CG-CG 4.42Å; L384-L388 WeakPolarHBondContact O-CG 3.15Å; L384-L388 PolarHBondContact O-N 3.2Å; L388-H390 PolarHBondContact O-N 2.95Å; L388-S391 WeakPolarHBondContact CA-OG 3.42Å; L388-S391 PolarHBondContact O-N 3.34Å; L388-S391 PolarHBondContact O-OG 3.17Å; L388-E392 PolarHBondContact O-N 3.48Å; L388-Y404 HydrophobicContact CB-CD1 3.76Å; L388-Y404 HydrophobicContact CB-CE1 4.42Å; L388-Y404 HydrophobicContact CB-CG 4.37Å; L388-V518 HydrophobicContact CD2-CB 3.87Å; L388-V518 HydrophobicContact CD2-CG1 3.55Å; L388-V518 HydrophobicContact CD2-CG2 4.19Å
389A66.2Low61.6Low32 Ų3261.2 Ų61.226%0.26431%0.311SS..Hα-helixtrans-65.3-29.9175.500000112.4A385 C386 Y404A385-A389 WeakPolarHBondContact O-CB 3.04Å; A385-A389 PolarHBondContact O-N 3.09Å; C386-A389 PolarHBondContact O-N 3.37Å; A389-Y404 HydrophobicContact CB-CD2 4.31Å
390H63.4Low60.3Low121 Ų12164.5 Ų64.556%0.5633%0.334SS*.Hα-helixtrans-79.9-33175.3-74.4-41.2000113.5C386 Q387 L388 E392 R393C386-H390 PolarHBondContact O-CD2 2.88Å; C386-H390 PolarHBondContact O-N 3Å; Q387-H390 PolarHBondContact O-N 3.21Å; L388-H390 PolarHBondContact O-N 2.95Å; H390-E392 VanDerWaalsContact C-N 3.27Å; H390-E392 PolarHBondContact O-N 3.45Å; H390-R393 PolarHBondContact ND1-NH1 3.39Å; H390-R393 VanDerWaalsContact ND1-NH1 3.18Å
391S56.5Low59.2Low15 Ų1564 Ų6411%0.10533%0.333CS..Hα-helixtrans-74-12.8179.567.30000114.1Q387 L388 A539Q387-S391 PolarHBondContact O-N 3.04Å; L388-S391 WeakPolarHBondContact CA-OG 3.42Å; L388-S391 PolarHBondContact O-N 3.34Å; L388-S391 PolarHBondContact O-OG 3.17Å; S391-A539 WeakPolarHBondContact O-CB 3.27Å; S391-A539 PolarHBondContact O-N 3.25Å
392E53.7Low58.4Low40 Ų4067.3 Ų67.319%0.18735%0.349CS..THydrogen-bonded Turntrans-119.833.2-176.3-74-149.315100114.9L388 H390 S394 Y404L388-E392 PolarHBondContact O-N 3.48Å; H390-E392 VanDerWaalsContact C-N 3.27Å; H390-E392 PolarHBondContact O-N 3.45Å; E392-S394 PolarHBondContact O-N 3.37Å; E392-Y404 HydrophobicContact CB-CE1 4.34Å; E392-Y404 VanDerWaalsContact CB-OH 3.28Å; E392-Y404 WeakPolarHBondContact CB-OH 3.17Å; E392-Y404 HydrophobicContact CG-CE1 4.41Å; E392-Y404 WeakPolarHBondContact OE2-CE1 3.32Å; E392-Y404 PolarHBondContact OE2-OH 3.26Å
393R50.9Low57.9Low167 Ų16770 Ų7063%0.6336%0.359SS*.  trans-68.332.8167.8-91.8-177.8169.3125.2-1.9114.1H390H390-R393 PolarHBondContact ND1-NH1 3.39Å; H390-R393 VanDerWaalsContact ND1-NH1 3.18Å
394S40.8Very low57.4Low69 Ų6969.9 Ų69.948%0.48336%0.356SS..  trans-84.1136.9166.9-1750000109.8E392 T396E392-S394 PolarHBondContact O-N 3.37Å; S394-T396 PolarHBondContact O-N 3.16Å
395K41.4Very low57Low216 Ų21669.7 Ų69.794%0.93936%0.355SS*.THydrogen-bonded Turntrans-61.81.5-171-67.1177.6176177.90115.9
396T39.8Very low56.8Low120 Ų12072.1 Ų72.174%0.73637%0.367SS*.THydrogen-bonded Turntrans-97.7-16.5-167.6-360000113.4S394S394-T396 PolarHBondContact O-N 3.16Å
397V43.2Very low56.6Low62 Ų6270 Ų7038%0.37635%0.353SS..  trans-142.479.7-171.9-174.50000109.2L399V397-L399 HydrophobicContact CG1-CB 3.77Å; V397-L399 HydrophobicContact CG1-CD1 3.02Å; V397-L399 HydrophobicContact CG1-CD2 4.49Å; V397-L399 HydrophobicContact CG1-CG 3.17Å; V397-L399 PolarHBondContact O-N 3.19Å
398Q42.1Very low56.6Low205 Ų20567.6 Ų67.696%0.95834%0.341SS*.  trans-76.456.4169.8-157.6156.3-4.100109.1
399L50.8Low56.7Low75 Ų7568.7 Ų68.739%0.39335%0.347SS..  trans-77.5139.9179.2-80.1171000110.1V397 Y403V397-L399 HydrophobicContact CG1-CB 3.77Å; V397-L399 HydrophobicContact CG1-CD1 3.02Å; V397-L399 HydrophobicContact CG1-CD2 4.49Å; V397-L399 HydrophobicContact CG1-CG 3.17Å; V397-L399 PolarHBondContact O-N 3.19Å; L399-Y403 HydrophobicContact CB-CD1 4.27Å; L399-Y403 HydrophobicContact CB-CG 4.41Å; L399-Y403 HydrophobicContact CD1-CD1 3.58Å; L399-Y403 HydrophobicContact CD1-CD2 4.16Å; L399-Y403 HydrophobicContact CD1-CE1 3.43Å; L399-Y403 VanDerWaalsContact CD1-CE1 3.43Å; L399-Y403 HydrophobicContact CD1-CE2 4.03Å; L399-Y403 HydrophobicContact CD1-CG 3.89Å; L399-Y403 HydrophobicContact CG-CD1 4.49Å
400C54.5Low56.9Low69 Ų6972.5 Ų72.547%0.46636%0.355SS..  trans-59.1143.8176.7-63.60000111.3H402 Y403C400-H402 HydrophobicContact CB-CB 4.33Å; C400-H402 PolarHBondContact O-N 3.45Å; C400-Y403 WeakPolarHBondContact O-CB 3.16Å; C400-Y403 PolarHBondContact O-N 2.7Å
401V55.3Low57.2Low19 Ų1967 Ų6712%0.11533%0.329CS..Hα-helixtrans-46.8-28.8174.1175.90000113.3C358 L364 Y403 Y404 F405C358-V401 HydrophobicContact CB-CG2 4.47Å; L364-V401 HydrophobicContact CD1-CG1 4.19Å; V401-Y403 VanDerWaalsContact C-N 3.26Å; V401-Y403 PolarHBondContact O-N 2.83Å; V401-Y404 PolarHBondContact O-N 3.27Å; V401-F405 PolarHBondContact O-N 3.19Å; V401-F405 VanDerWaalsContact O-N 3.1Å
402H59.9Low57.9Low71 Ų7166.7 Ų66.733%0.32933%0.326SS..Hα-helixtrans-51-42171.8-176.664000113.6V363 C400 F405 I406V363-H402 WeakPolarHBondContact CG1-CE1 3.37Å; V363-H402 WeakPolarHBondContact CG1-ND1 3.49Å; C400-H402 HydrophobicContact CB-CB 4.33Å; C400-H402 PolarHBondContact O-N 3.45Å; H402-F405 PolarHBondContact O-N 2.64Å; H402-I406 WeakPolarHBondContact NE2-CD1 3.29Å; H402-I406 WeakPolarHBondContact O-CG1 3.36Å; H402-I406 PolarHBondContact O-N 3.48Å
403Y64.6Low58.6Low61 Ų6169.9 Ų69.924%0.23934%0.342CS..Hα-helixtrans-69.1-44.4-178.7176.9-93.3000112.4L399 C400 V401 F405 I406 C407 S621L399-Y403 HydrophobicContact CB-CD1 4.27Å; L399-Y403 HydrophobicContact CB-CG 4.41Å; L399-Y403 HydrophobicContact CD1-CD1 3.58Å; L399-Y403 HydrophobicContact CD1-CD2 4.16Å; L399-Y403 HydrophobicContact CD1-CE1 3.43Å; L399-Y403 VanDerWaalsContact CD1-CE1 3.43Å; L399-Y403 HydrophobicContact CD1-CE2 4.03Å; L399-Y403 HydrophobicContact CD1-CG 3.89Å; L399-Y403 HydrophobicContact CG-CD1 4.49Å; C400-Y403 WeakPolarHBondContact O-CB 3.16Å; C400-Y403 PolarHBondContact O-N 2.7Å; V401-Y403 VanDerWaalsContact C-N 3.26Å; V401-Y403 PolarHBondContact O-N 2.83Å; Y403-F405 PolarHBondContact O-N 3.12Å; Y403-I406 PolarHBondContact O-N 3.26Å; Y403-C407 PolarHBondContact O-N 3.03Å; Y403-C407 PolarHBondContact O-SG 3.33Å; Y403-S621 VanDerWaalsContact CZ-CB 3.46Å; Y403-S621 WeakPolarHBondContact OH-CB 3.31Å; Y403-S621 PolarHBondContact OH-OG 2.9Å
404Y66.4Low59.3Low11 Ų1165 Ų654%0.04333%0.326CS..Hα-helixtrans-62.8-33175.1-68.5-65.5000112.1L388 A389 E392 V401 C407 S408L388-Y404 HydrophobicContact CB-CD1 3.76Å; L388-Y404 HydrophobicContact CB-CE1 4.42Å; L388-Y404 HydrophobicContact CB-CG 4.37Å; A389-Y404 HydrophobicContact CB-CD2 4.31Å; E392-Y404 HydrophobicContact CB-CE1 4.34Å; E392-Y404 VanDerWaalsContact CB-OH 3.28Å; E392-Y404 WeakPolarHBondContact CB-OH 3.17Å; E392-Y404 HydrophobicContact CG-CE1 4.41Å; E392-Y404 WeakPolarHBondContact OE2-CE1 3.32Å; E392-Y404 PolarHBondContact OE2-OH 3.26Å; V401-Y404 PolarHBondContact O-N 3.27Å; Y404-C407 PolarHBondContact O-N 2.72Å; Y404-S408 WeakPolarHBondContact O-CB 3.22Å; Y404-S408 PolarHBondContact O-N 3.03Å; Y404-S408 PolarHBondContact O-OG 2.8Å
405F66.3Low60.3Low0 Ų064.2 Ų64.20%032%0.315CS..Hα-helixtrans-72-40.1174.8-171.5-104.6000113.2L364 L367 L368 A385 V401 H402 Y403 C407 S408 L409L364-F405 HydrophobicContact CD2-CB 3.27Å; L364-F405 HydrophobicContact CD2-CD1 3.54Å; L364-F405 HydrophobicContact CD2-CD2 3.22Å; L364-F405 HydrophobicContact CD2-CE1 4.06Å; L364-F405 HydrophobicContact CD2-CE2 3.8Å; L364-F405 HydrophobicContact CD2-CG 3.05Å; L364-F405 HydrophobicContact CD2-CZ 4.18Å; L364-F405 HydrophobicContact CG-CG 4.5Å; L367-F405 HydrophobicContact CB-CE1 3.89Å; L367-F405 HydrophobicContact CD1-CD1 3.7Å; L367-F405 HydrophobicContact CD1-CE1 3.92Å; L368-F405 HydrophobicContact CD1-CZ 3.93Å; L368-F405 HydrophobicContact CD2-CZ 4.17Å; L368-F405 HydrophobicContact CG-CZ 3.91Å; A385-F405 HydrophobicContact CB-CD2 4.34Å; V401-F405 PolarHBondContact O-N 3.19Å; V401-F405 VanDerWaalsContact O-N 3.1Å; H402-F405 PolarHBondContact O-N 2.64Å; Y403-F405 PolarHBondContact O-N 3.12Å; F405-C407 VanDerWaalsContact C-N 3.28Å; F405-C407 PolarHBondContact O-N 2.94Å; F405-S408 WeakPolarHBondContact O-CB 3.43Å; F405-S408 PolarHBondContact O-N 2.95Å; F405-L409 HydrophobicContact CD1-CD1 3.69Å; F405-L409 HydrophobicContact CD1-CG 4.05Å; F405-L409 HydrophobicContact CE1-CD1 3.4Å; F405-L409 VanDerWaalsContact CE1-CD1 3.4Å; F405-L409 HydrophobicContact CE1-CD2 4.28Å; F405-L409 HydrophobicContact CE1-CG 3.8Å; F405-L409 HydrophobicContact CZ-CD1 4.21Å; F405-L409 HydrophobicContact CZ-CD2 4.29Å; F405-L409 HydrophobicContact CZ-CG 4.18Å; F405-L409 WeakPolarHBondContact O-CB 3.27Å; F405-L409 WeakPolarHBondContact O-CG 3.42Å; F405-L409 PolarHBondContact O-N 2.84Å
406I67.9Low61.2Low57 Ų5754.9 Ų54.929%0.29228%0.276SS..Hα-helixtrans-59-43.7171.4-70.1167.2000110.2H402 Y403 S408 L409 R410H402-I406 WeakPolarHBondContact NE2-CD1 3.29Å; H402-I406 WeakPolarHBondContact O-CG1 3.36Å; H402-I406 PolarHBondContact O-N 3.48Å; Y403-I406 PolarHBondContact O-N 3.26Å; I406-S408 VanDerWaalsContact C-N 3.35Å; I406-S408 PolarHBondContact O-N 3.43Å; I406-L409 PolarHBondContact O-N 3.29Å; I406-R410 WeakPolarHBondContact O-CG 3.47Å; I406-R410 PolarHBondContact O-N 3.11Å
407C68.6Low61.4Low2 Ų258.1 Ų58.11%0.01427%0.274CS..Hα-helixtrans-59.9-45.4175-66.50000111.4Y403 Y404 F405 L409 R410 V411 L620Y403-C407 PolarHBondContact O-N 3.03Å; Y403-C407 PolarHBondContact O-SG 3.33Å; Y404-C407 PolarHBondContact O-N 2.72Å; F405-C407 VanDerWaalsContact C-N 3.28Å; F405-C407 PolarHBondContact O-N 2.94Å; C407-L409 VanDerWaalsContact C-N 3.35Å; C407-L409 PolarHBondContact O-N 2.88Å; C407-R410 WeakPolarHBondContact O-CB 3.46Å; C407-R410 PolarHBondContact O-N 3.33Å; C407-V411 WeakPolarHBondContact O-CG2 3.42Å; C407-V411 PolarHBondContact O-N 3.47Å; C407-L620 HydrophobicContact CB-CB 4.04Å; C407-L620 HydrophobicContact CB-CD1 4.25Å
408S69.4Low61.4Low0 Ų060.9 Ų60.90%029%0.291CS..Hα-helixtrans-62.6-39.4177.3-56.40000112.5A385 Y404 F405 I406 V411 L412A385-S408 PolarHBondContact N-OG 2.98Å; Y404-S408 WeakPolarHBondContact O-CB 3.22Å; Y404-S408 PolarHBondContact O-N 3.03Å; Y404-S408 PolarHBondContact O-OG 2.8Å; F405-S408 WeakPolarHBondContact O-CB 3.43Å; F405-S408 PolarHBondContact O-N 2.95Å; I406-S408 VanDerWaalsContact C-N 3.35Å; I406-S408 PolarHBondContact O-N 3.43Å; S408-V411 PolarHBondContact O-N 2.96Å; S408-L412 WeakPolarHBondContact O-CB 3.48Å; S408-L412 PolarHBondContact O-N 2.94Å
409L68.2Low61.7Low31 Ų3156.7 Ų56.716%0.16227%0.272CS..Hα-helixtrans-66.8-38174.3-77.6177.4000112.2L367 T381 F405 I406 C407 L412 Q413L367-L409 HydrophobicContact CB-CD1 4.33Å; L367-L409 HydrophobicContact CD1-CD1 4.48Å; T381-L409 HydrophobicContact CG2-CD2 4.25Å; F405-L409 HydrophobicContact CD1-CD1 3.69Å; F405-L409 HydrophobicContact CD1-CG 4.05Å; F405-L409 HydrophobicContact CE1-CD1 3.4Å; F405-L409 VanDerWaalsContact CE1-CD1 3.4Å; F405-L409 HydrophobicContact CE1-CD2 4.28Å; F405-L409 HydrophobicContact CE1-CG 3.8Å; F405-L409 HydrophobicContact CZ-CD1 4.21Å; F405-L409 HydrophobicContact CZ-CD2 4.29Å; F405-L409 HydrophobicContact CZ-CG 4.18Å; F405-L409 WeakPolarHBondContact O-CB 3.27Å; F405-L409 WeakPolarHBondContact O-CG 3.42Å; F405-L409 PolarHBondContact O-N 2.84Å; I406-L409 PolarHBondContact O-N 3.29Å; C407-L409 VanDerWaalsContact C-N 3.35Å; C407-L409 PolarHBondContact O-N 2.88Å; L409-L412 HydrophobicContact CD2-CD2 4.42Å; L409-L412 WeakPolarHBondContact O-CB 3.23Å; L409-L412 PolarHBondContact O-N 3.42Å; L409-Q413 WeakPolarHBondContact O-CB 3.29Å; L409-Q413 PolarHBondContact O-N 3.44Å
410R71.9Confident61.5Low112 Ų11265 Ų6542%0.42330%0.298SS..Hα-helixtrans-62.9-45.5173.4-76.4179.1175.7-169.8-5.6111.3I406 C407 L412 Q413 E414 L620I406-R410 WeakPolarHBondContact O-CG 3.47Å; I406-R410 PolarHBondContact O-N 3.11Å; C407-R410 WeakPolarHBondContact O-CB 3.46Å; C407-R410 PolarHBondContact O-N 3.33Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 3.29Å; R410-Q413 PolarHBondContact O-N 2.82Å; R410-E414 WeakPolarHBondContact O-CG 3.33Å; R410-E414 PolarHBondContact O-N 3.45Å; R410-L620 PolarHBondContact NH1-O 3.49Å
411V70.1Confident61.3Low4 Ų464.2 Ų64.22%0.02430%0.302CS..Hα-helixtrans-56.4-49.1172.3179.80000110.1W380 L384 C407 S408 Q413 E414 M415 L516 C573 L620W380-V411 HydrophobicContact CH2-CG1 3.96Å; L384-V411 HydrophobicContact CD2-CB 4.36Å; L384-V411 HydrophobicContact CD2-CG1 4.45Å; C407-V411 WeakPolarHBondContact O-CG2 3.42Å; C407-V411 PolarHBondContact O-N 3.47Å; S408-V411 PolarHBondContact O-N 2.96Å; V411-Q413 VanDerWaalsContact C-N 3.32Å; V411-Q413 PolarHBondContact O-N 2.98Å; V411-E414 PolarHBondContact O-N 3.44Å; V411-M415 HydrophobicContact CG1-CG 4.14Å; V411-M415 VanDerWaalsContact O-CB 3.32Å; V411-M415 WeakPolarHBondContact O-CB 3.49Å; V411-M415 WeakPolarHBondContact O-CG 3.43Å; V411-M415 PolarHBondContact O-N 3.38Å; V411-L516 HydrophobicContact CG1-CD1 3.79Å; V411-C573 HydrophobicContact CG2-CB 4.26Å; V411-L620 HydrophobicContact CG2-CD1 3.97Å; V411-L620 HydrophobicContact CG2-CD2 3.37Å; V411-L620 HydrophobicContact CG2-CG 4.31Å
412L69.4Low61.4Low9 Ų968.3 Ų68.35%0.04732%0.316CS..Hα-helixtrans-58.6-44.1179.9-172.973.5000111.8Q377 W380 T381 S408 L409 R410 M415 L416Q377-L412 HydrophobicContact CB-CD2 4.12Å; W380-L412 HydrophobicContact CE3-CD1 3.61Å; W380-L412 HydrophobicContact CZ3-CB 3.97Å; W380-L412 HydrophobicContact CZ3-CD1 3.57Å; W380-L412 HydrophobicContact CZ3-CG 4.38Å; T381-L412 HydrophobicContact CG2-CB 4.27Å; T381-L412 HydrophobicContact CG2-CD2 3.79Å; T381-L412 HydrophobicContact CG2-CG 4.42Å; S408-L412 WeakPolarHBondContact O-CB 3.48Å; S408-L412 PolarHBondContact O-N 2.94Å; L409-L412 HydrophobicContact CD2-CD2 4.42Å; L409-L412 WeakPolarHBondContact O-CB 3.23Å; L409-L412 PolarHBondContact O-N 3.42Å; R410-L412 VanDerWaalsContact C-N 3.31Å; R410-L412 PolarHBondContact O-N 3.29Å; L412-M415 PolarHBondContact O-N 3.31Å; L412-L416 HydrophobicContact CD1-CD1 3.32Å; L412-L416 HydrophobicContact CD1-CG 4.09Å; L412-L416 HydrophobicContact CD2-CD1 4.43Å; L412-L416 HydrophobicContact CG-CD1 3.71Å; L412-L416 HydrophobicContact CG-CG 4.44Å; L412-L416 VanDerWaalsContact O-CB 3.23Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 WeakPolarHBondContact O-CG 3.26Å; L412-L416 PolarHBondContact O-N 3.43Å
413Q68.7Low61.4Low108 Ų10867.9 Ų67.951%0.50533%0.33SS..Hα-helixtrans-64.3-48.8-178.1-175.6169-5.300111.4L409 R410 V411 M415 L416 W417L409-Q413 WeakPolarHBondContact O-CB 3.29Å; L409-Q413 PolarHBondContact O-N 3.44Å; R410-Q413 PolarHBondContact O-N 2.82Å; V411-Q413 VanDerWaalsContact C-N 3.32Å; V411-Q413 PolarHBondContact O-N 2.98Å; Q413-M415 VanDerWaalsContact C-N 3.29Å; Q413-M415 PolarHBondContact O-N 3.19Å; Q413-L416 PolarHBondContact O-N 3.23Å; Q413-W417 PolarHBondContact O-N 3.38Å
414E65.3Low61.7Low65 Ų6573.7 Ų73.730%0.30436%0.359SS..Hα-helixtrans-64.4-32.2177.8-68.7-58.5120.600112.6R410 V411 W417 V618R410-E414 WeakPolarHBondContact O-CG 3.33Å; R410-E414 PolarHBondContact O-N 3.45Å; V411-E414 PolarHBondContact O-N 3.44Å; E414-W417 WeakPolarHBondContact OE1-CZ2 3.16Å; E414-W417 PolarHBondContact OE1-NE1 3.32Å; E414-W417 WeakPolarHBondContact OE2-CZ2 3.32Å; E414-V618 HydrophobicContact CB-CG1 4.44Å; E414-V618 HydrophobicContact CB-CG2 4.38Å; E414-V618 HydrophobicContact CG-CG1 3.87Å; E414-V618 HydrophobicContact CG-CG2 4.45Å
415M62.4Low62.3Low51 Ų5175.2 Ų75.225%0.25137%0.365SS..Hα-helixtrans-83.6-20.8179-65.4-55.6-67.200113.9V411 L412 Q413 L452 L516 R575V411-M415 HydrophobicContact CG1-CG 4.14Å; V411-M415 VanDerWaalsContact O-CB 3.32Å; V411-M415 WeakPolarHBondContact O-CB 3.49Å; V411-M415 WeakPolarHBondContact O-CG 3.43Å; V411-M415 PolarHBondContact O-N 3.38Å; L412-M415 PolarHBondContact O-N 3.31Å; Q413-M415 VanDerWaalsContact C-N 3.29Å; Q413-M415 PolarHBondContact O-N 3.19Å; M415-L452 HydrophobicContact CB-CD1 4.2Å; M415-L452 HydrophobicContact CE-CD1 3.51Å; M415-L452 HydrophobicContact CE-CD2 4.09Å; M415-L452 HydrophobicContact CE-CG 4.46Å; M415-L452 HydrophobicContact CG-CD1 4.06Å; M415-L516 HydrophobicContact CE-CD2 4.34Å; M415-L516 HydrophobicContact SD-CD2 4.47Å; M415-R575 HydrophobicContact CE-CG 3.85Å; M415-R575 WeakPolarHBondContact SD-CD 3.42Å; M415-R575 HydrophobicContact SD-CG 3.71Å
416L59.9Low63Low21 Ų2178.5 Ų78.511%0.1138%0.383CS..  trans-116.127.2-174.7-65.7-178.7000114.2Q377 L412 Q413 T418 Q419 H449Q377-L416 HydrophobicContact CG-CD1 4.13Å; L412-L416 HydrophobicContact CD1-CD1 3.32Å; L412-L416 HydrophobicContact CD1-CG 4.09Å; L412-L416 HydrophobicContact CD2-CD1 4.43Å; L412-L416 HydrophobicContact CG-CD1 3.71Å; L412-L416 HydrophobicContact CG-CG 4.44Å; L412-L416 VanDerWaalsContact O-CB 3.23Å; L412-L416 WeakPolarHBondContact O-CB 3.48Å; L412-L416 WeakPolarHBondContact O-CG 3.26Å; L412-L416 PolarHBondContact O-N 3.43Å; Q413-L416 PolarHBondContact O-N 3.23Å; L416-T418 PolarHBondContact O-N 3Å; L416-Q419 PolarHBondContact O-N 2.95Å; L416-H449 VanDerWaalsContact CD2-CE1 3.42Å; L416-H449 WeakPolarHBondContact CD2-CE1 3.44Å
417W44.8Very low63.6Low187 Ų18777.8 Ų77.871%0.70838%0.379SS*.THydrogen-bonded Turntrans-50.1-5.7178-84.1-3.7000116.4Q413 E414Q413-W417 PolarHBondContact O-N 3.38Å; E414-W417 WeakPolarHBondContact OE1-CZ2 3.16Å; E414-W417 PolarHBondContact OE1-NE1 3.32Å; E414-W417 WeakPolarHBondContact OE2-CZ2 3.32Å
418T41.8Very low64.2Low120 Ų12080.4 Ų80.474%0.73639%0.389SS*.THydrogen-bonded Turntrans-97-8.1-178.950.40000116L416L416-T418 PolarHBondContact O-N 3Å
419Q48.7Very low64.8Low117 Ų11781.2 Ų81.255%0.54740%0.395SS..  trans-109.8102.3175-67.6-155.62.100111.9L416 G421L416-Q419 PolarHBondContact O-N 2.95Å; Q419-G421 PolarHBondContact O-N 3.4Å
420R46.4Very low65.6Low249 Ų24979.8 Ų79.894%0.9439%0.388SS*.PPolyproline II helixtrans-50.5125.2161.6-80.2-178.4175.3178.2-1.8107.8
421G51.8Low66.2Low54 Ų5474.5 Ų74.556%0.55737%0.367SS*.PPolyproline II helixtrans-51145.8-179.900000111.3Q419 G423Q419-G421 PolarHBondContact O-N 3.4Å; G421-G423 PolarHBondContact O-N 3.41Å
422R57.4Low66.7Low105 Ų10575.3 Ų75.340%0.39637%0.372SS..PPolyproline II helixtrans-56140.9167-71.4-173.8-179.9-176.59.5107.6N372 P439 Q442N372-R422 WeakPolarHBondContact ND2-CB 3.45Å; R422-P439 PolarHBondContact NH1-O 2.98Å; R422-Q442 PolarHBondContact NH2-O 2.91Å
423G60.1Low67.2Low62 Ų6277.2 Ų77.264%0.63938%0.382SS*.PPolyproline II helixtrans-53.3167.4174.900000112.1N372 G421 R425N372-G423 PolarHBondContact ND2-O 3.38Å; G421-G423 PolarHBondContact O-N 3.41Å; G423-R425 PolarHBondContact O-N 3.01Å
424Q69.8Low67.5Low182 Ų18278 Ų7885%0.8538%0.38SS*.PPolyproline II helixtrans-50.2135.8-177-168176.420.300112.3D426Q424-D426 PolarHBondContact O-N 2.83Å
425R79.2Confident67.8Low43 Ų4380.8 Ų80.816%0.16240%0.404CS..PPolyproline II helixtrans-59.2120.2178.8-174.1-174.3-174.2-17615110.7F299 G423 I427 E430F299-R425 PolarHBondContact O-NH1 2.83Å; F299-R425 PolarHBondContact O-NH2 2.79Å; G423-R425 PolarHBondContact O-N 3.01Å; R425-I427 PolarHBondContact O-N 3.25Å; R425-E430 IonicContact CZ-OE1 2.77Å; R425-E430 IonicContact CZ-OE2 3.95Å; R425-E430 VanDerWaalsContact CZ-OE2 3.3Å; R425-E430 IonicContact NE-OE1 3.44Å; R425-E430 IonicContact NE-OE2 3.46Å; R425-E430 PolarHBondContact NE-OE2 3.03Å; R425-E430 VanDerWaalsContact NH2-CD 3.29Å; R425-E430 IonicContact NH2-OE1 3.7Å; R425-E430 PolarHBondContact NH2-OE1 3.43Å; R425-E430 IonicContact NH2-OE2 3.87Å; R425-E430 PolarHBondContact NH2-OE2 3.04Å; R425-E430 VanDerWaalsContact NH2-OE2 3.15Å
426D80.5Confident68.7Low70 Ų7079.1 Ų79.137%0.37440%0.396SS..  trans-90.995.3175.1-176.7-1000111Q424 Y428 S429 E430Q424-D426 PolarHBondContact O-N 2.83Å; D426-Y428 PolarHBondContact O-N 3.3Å; D426-Y428 PolarHBondContact OD1-N 3.15Å; D426-Y428 VanDerWaalsContact OD1-N 3.12Å; D426-S429 VanDerWaalsContact CG-OG 3.31Å; D426-S429 PolarHBondContact O-N 3.08Å; D426-S429 PolarHBondContact OD1-N 3.48Å; D426-S429 WeakPolarHBondContact OD2-CB 3.45Å; D426-S429 PolarHBondContact OD2-OG 3Å; D426-E430 WeakPolarHBondContact O-CB 3.44Å; D426-E430 PolarHBondContact O-N 3.18Å; D426-E430 VanDerWaalsContact O-N 3.07Å
427I81.8Confident69.5Low42 Ų4287.9 Ų87.922%0.21543%0.427CS..Hα-helixtrans-61.5-28.3-177.463.4174.8000113.6L156 F163 L337 R425 M431L156-I427 HydrophobicContact CD1-CD1 4.43Å; F163-I427 HydrophobicContact CZ-CD1 4.35Å; L337-I427 HydrophobicContact CD1-CB 3.91Å; L337-I427 HydrophobicContact CD1-CG2 3.76Å; R425-I427 PolarHBondContact O-N 3.25Å; I427-M431 WeakPolarHBondContact O-CB 3.39Å; I427-M431 WeakPolarHBondContact O-CG 3.4Å; I427-M431 PolarHBondContact O-N 2.97Å; I427-M431 VanDerWaalsContact O-N 3.13Å
428Y80.9Confident71.3Confident56 Ų5679.4 Ų79.422%0.2240%0.397CS..Hα-helixtrans-77.8-46.5-177.3-64.4-72.5000110.9F165 L208 R210 D426 E430 M431 L432F165-Y428 HydrophobicContact CE2-CD1 4.47Å; F165-Y428 HydrophobicContact CZ-CD1 4.27Å; F165-Y428 HydrophobicContact CZ-CE1 4.34Å; L208-Y428 HydrophobicContact CD1-CD1 3.94Å; L208-Y428 HydrophobicContact CD1-CE1 4.19Å; L208-Y428 HydrophobicContact CD2-CE1 4.25Å; R210-Y428 HydrophobicContact CB-CD2 4.29Å; R210-Y428 HydrophobicContact CB-CE2 4.39Å; D426-Y428 PolarHBondContact O-N 3.3Å; D426-Y428 PolarHBondContact OD1-N 3.15Å; D426-Y428 VanDerWaalsContact OD1-N 3.12Å; Y428-E430 PolarHBondContact O-N 3.22Å; Y428-M431 PolarHBondContact O-N 3.11Å; Y428-L432 VanDerWaalsContact O-CB 3.28Å; Y428-L432 WeakPolarHBondContact O-CB 3.36Å; Y428-L432 WeakPolarHBondContact O-CG 3.17Å; Y428-L432 PolarHBondContact O-N 2.97Å
429S80.9Confident73.1Confident18 Ų1874 Ų7413%0.12636%0.363CS..Hα-helixtrans-62.9-34.4175.1-59.10000111.2D426 D433D426-S429 VanDerWaalsContact CG-OG 3.31Å; D426-S429 PolarHBondContact O-N 3.08Å; D426-S429 PolarHBondContact OD1-N 3.48Å; D426-S429 WeakPolarHBondContact OD2-CB 3.45Å; D426-S429 PolarHBondContact OD2-OG 3Å; S429-D433 WeakPolarHBondContact CB-OD2 3.3Å; S429-D433 VanDerWaalsContact O-CB 3.29Å; S429-D433 WeakPolarHBondContact O-CB 3.34Å; S429-D433 PolarHBondContact O-N 3.38Å; S429-D433 VanDerWaalsContact O-N 3.16Å
430E86.3Confident74.8Confident1 Ų168.4 Ų68.41%0.00534%0.337CS..Hα-helixtrans-66.6-39.6174.4-168.9174.4153.600113.5C336 L337 R425 D426 Y428 H436 C438C336-E430 WeakPolarHBondContact CB-OE1 3.36Å; L337-E430 HydrophobicContact CB-CG 4.01Å; L337-E430 WeakPolarHBondContact CB-OE1 3.47Å; L337-E430 PolarHBondContact N-OE1 2.9Å; R425-E430 IonicContact CZ-OE1 2.77Å; R425-E430 IonicContact CZ-OE2 3.95Å; R425-E430 VanDerWaalsContact CZ-OE2 3.3Å; R425-E430 IonicContact NE-OE1 3.44Å; R425-E430 IonicContact NE-OE2 3.46Å; R425-E430 PolarHBondContact NE-OE2 3.03Å; R425-E430 VanDerWaalsContact NH2-CD 3.29Å; R425-E430 IonicContact NH2-OE1 3.7Å; R425-E430 PolarHBondContact NH2-OE1 3.43Å; R425-E430 IonicContact NH2-OE2 3.87Å; R425-E430 PolarHBondContact NH2-OE2 3.04Å; R425-E430 VanDerWaalsContact NH2-OE2 3.15Å; D426-E430 WeakPolarHBondContact O-CB 3.44Å; D426-E430 PolarHBondContact O-N 3.18Å; D426-E430 VanDerWaalsContact O-N 3.07Å; Y428-E430 PolarHBondContact O-N 3.22Å; E430-H436 WeakPolarHBondContact O-CB 3.48Å; E430-C438 HydrophobicContact CG-CB 3.79Å
431M83.1Confident76.4Confident0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-82.3-29.2-178.1-70.1172.392.100113.5R153 L156 F165 L337 I427 Y428R153-M431 HydrophobicContact CB-CE 3.3Å; R153-M431 HydrophobicContact CG-CB 4.33Å; R153-M431 HydrophobicContact CG-CE 3.93Å; R153-M431 HydrophobicContact CG-CG 4.48Å; R153-M431 VanDerWaalsContact CZ-O 3.23Å; R153-M431 PolarHBondContact NE-O 3.3Å; R153-M431 PolarHBondContact NH2-O 2.74Å; L156-M431 HydrophobicContact CD1-CE 4.02Å; L156-M431 HydrophobicContact CD1-SD 3.61Å; F165-M431 HydrophobicContact CB-CE 4.44Å; F165-M431 HydrophobicContact CD2-CE 3.56Å; F165-M431 HydrophobicContact CD2-SD 4.01Å; F165-M431 HydrophobicContact CE2-CE 4.31Å; F165-M431 HydrophobicContact CE2-SD 4.25Å; F165-M431 HydrophobicContact CG-CE 4.46Å; L337-M431 HydrophobicContact CB-CG 3.72Å; L337-M431 HydrophobicContact CD1-CG 4.49Å; I427-M431 WeakPolarHBondContact O-CB 3.39Å; I427-M431 WeakPolarHBondContact O-CG 3.4Å; I427-M431 PolarHBondContact O-N 2.97Å; I427-M431 VanDerWaalsContact O-N 3.13Å; Y428-M431 PolarHBondContact O-N 3.11Å
432L80.9Confident77.5Confident21 Ų2159.3 Ų59.311%0.1129%0.292CS..Hα-helixtrans-115.2-30.3-164.6-58.6176.6000114.9F165 P176 L208 W211 Y428F165-L432 HydrophobicContact CB-CD2 4.41Å; F165-L432 HydrophobicContact CD1-CD2 3.75Å; F165-L432 HydrophobicContact CE1-CD1 4.09Å; F165-L432 HydrophobicContact CE1-CD2 4.07Å; F165-L432 HydrophobicContact CG-CD2 4.06Å; F165-L432 HydrophobicContact CZ-CD1 4.28Å; P176-L432 HydrophobicContact CB-CD2 3.74Å; P176-L432 HydrophobicContact CG-CD2 4.48Å; L208-L432 HydrophobicContact CD1-CD1 3.97Å; W211-L432 HydrophobicContact CD2-CB 4.44Å; W211-L432 HydrophobicContact CD2-CD1 3.63Å; W211-L432 HydrophobicContact CE3-CD1 3.72Å; W211-L432 HydrophobicContact CG-CD1 4.17Å; W211-L432 HydrophobicContact CH2-CB 4.24Å; W211-L432 HydrophobicContact CH2-CD1 4.1Å; W211-L432 HydrophobicContact CZ2-CB 3.61Å; W211-L432 HydrophobicContact CZ2-CD1 4.03Å; W211-L432 HydrophobicContact CZ2-CG 4.42Å; W211-L432 HydrophobicContact CZ3-CD1 3.95Å; Y428-L432 VanDerWaalsContact O-CB 3.28Å; Y428-L432 WeakPolarHBondContact O-CB 3.36Å; Y428-L432 WeakPolarHBondContact O-CG 3.17Å; Y428-L432 PolarHBondContact O-N 2.97Å
433D79.7Confident78Confident50 Ų5054.8 Ų54.827%0.26728%0.276SS..SBendtrans-76.9153.1-178.2-63.4-13.2000110.9W211 S429 H436W211-D433 PolarHBondContact NE1-OD1 2.98Å; S429-D433 WeakPolarHBondContact CB-OD2 3.3Å; S429-D433 VanDerWaalsContact O-CB 3.29Å; S429-D433 WeakPolarHBondContact O-CB 3.34Å; S429-D433 PolarHBondContact O-N 3.38Å; S429-D433 VanDerWaalsContact O-N 3.16Å; D433-H436 WeakPolarHBondContact O-CA 3.36Å; D433-H436 VanDerWaalsContact O-CB 3.27Å; D433-H436 WeakPolarHBondContact O-CB 3.47Å; D433-H436 PolarHBondContact O-N 3.14Å
434R74.9Confident78.1Confident123 Ų12353.3 Ų53.346%0.46426%0.261SS..SBendtrans-136121.4171-66.6-154.4-175.7-177.712.2110.3S151 E169S151-R434 PolarHBondContact OG-NH2 2.9Å; E169-R434 IonicContact OE1-CZ 3.59Å; E169-R434 IonicContact OE1-NH1 3.47Å; E169-R434 IonicContact OE1-NH2 2.87Å; E169-R434 PolarHBondContact OE1-NH2 3.24Å
435P71.9Confident77.3Confident125 Ų12546.1 Ų46.181%0.81223%0.23SC*.SBendcis-62139.3-11.728.8-34000110.6
436H81.3Confident75.9Confident16 Ų1647.3 Ų47.37%0.07424%0.243CC..  trans-75.3161179.267-88.8000110.3H319 C336 E430 D433H319-H436 AromaticContact CE1-CE1 3.78Å; H319-H436 AromaticContact CE1-NE2 3.64Å; H319-H436 AromaticContact NE2-CE1 3.36Å; H319-H436 PolarHBondContact NE2-CE1 3.07Å; H319-H436 AromaticContact NE2-NE2 3.12Å; H319-H436 PolarHBondContact NE2-NE2 3.01Å; H319-H436 VanDerWaalsContact NE2-NE2 3.12Å; C336-H436 PolarHBondContact SG-NE2 3.04Å; E430-H436 WeakPolarHBondContact O-CB 3.48Å; D433-H436 WeakPolarHBondContact O-CA 3.36Å; D433-H436 VanDerWaalsContact O-CB 3.27Å; D433-H436 WeakPolarHBondContact O-CB 3.47Å; D433-H436 PolarHBondContact O-N 3.14Å
437R78.3Confident74.1Confident204 Ų20449.8 Ų49.877%0.7725%0.252SS*.  trans-106.9113.1174.3-68.5-174.5-178.2-170.3-0.7110.2D441R437-D441 WeakPolarHBondContact CA-OD2 3.15Å
438C82.1Confident72Confident10 Ų1055.8 Ų55.87%0.06827%0.272CS..  trans-133.6167.9177.776.20000112.9C336 E430 L440 D441C336-C438 HydrophobicContact CB-CB 4.15Å; E430-C438 HydrophobicContact CG-CB 3.79Å; C438-L440 PolarHBondContact O-N 3.11Å; C438-L440 VanDerWaalsContact O-N 3.13Å; C438-L440 VanDerWaalsContact SG-CB 3.57Å; C438-L440 PolarHBondContact SG-N 2.72Å; C438-D441 PolarHBondContact N-OD2 3.31Å; C438-D441 PolarHBondContact O-N 3.46Å; C438-D441 VanDerWaalsContact SG-CG 3.58Å; C438-D441 PolarHBondContact SG-OD1 3.38Å
439P79Confident70.4Confident5 Ų557 Ų573%0.03228%0.279CS..THydrogen-bonded Turntrans-59.3-19.3173.9-25.837.2000114.6F299 N372 R422F299-P439 HydrophobicContact CD1-CB 4.08Å; F299-P439 HydrophobicContact CD1-CG 4.22Å; F299-P439 HydrophobicContact CE1-CB 3.77Å; F299-P439 HydrophobicContact CE1-CG 4.29Å; N372-P439 WeakPolarHBondContact OD1-CG 3.33Å; R422-P439 PolarHBondContact NH1-O 2.98Å
440L84.7Confident68.8Low0 Ų058.2 Ų58.20%029%0.286CS..THydrogen-bonded Turntrans-91.1-12.8-175.8-51.9178000114.3S267 F299 H319 C334 C336 V375 C438 Q442S267-L440 WeakPolarHBondContact CB-O 3.25Å; S267-L440 PolarHBondContact OG-O 2.89Å; F299-L440 HydrophobicContact CD1-CD2 4.38Å; F299-L440 HydrophobicContact CD2-CD2 3.71Å; F299-L440 HydrophobicContact CD2-CG 4.46Å; F299-L440 HydrophobicContact CE1-CD2 4.33Å; F299-L440 HydrophobicContact CE2-CD2 3.65Å; F299-L440 HydrophobicContact CG-CD2 4.09Å; F299-L440 HydrophobicContact CG-CG 4.44Å; F299-L440 HydrophobicContact CZ-CD2 3.97Å; H319-L440 HydrophobicContact CB-CB 4.04Å; H319-L440 HydrophobicContact CB-CD1 4.26Å; C334-L440 HydrophobicContact CB-CD1 3.56Å; C334-L440 HydrophobicContact CB-CD2 3.9Å; C334-L440 HydrophobicContact CB-CG 4.31Å; C334-L440 WeakPolarHBondContact O-CD1 3.23Å; C336-L440 HydrophobicContact CB-CD1 3.94Å; V375-L440 HydrophobicContact CB-CD2 3.7Å; V375-L440 HydrophobicContact CG1-CD2 4.17Å; V375-L440 HydrophobicContact CG2-CD2 4.19Å; C438-L440 PolarHBondContact O-N 3.11Å; C438-L440 VanDerWaalsContact O-N 3.13Å; C438-L440 VanDerWaalsContact SG-CB 3.57Å; C438-L440 PolarHBondContact SG-N 2.72Å; L440-Q442 VanDerWaalsContact C-N 3.29Å; L440-Q442 PolarHBondContact O-N 3.29Å
441D79.3Confident67.1Low33 Ų3359.8 Ų59.818%0.17630%0.297CS..SBendtrans-67.6-31-175.8-66.3-27.8000113.4H266 S267 H319 R437 C438H266-D441 WeakPolarHBondContact CA-O 3.18Å; H266-D441 PolarHBondContact ND1-O 3.02Å; S267-D441 PolarHBondContact N-O 3.1Å; S267-D441 WeakPolarHBondContact OG-CA 3.36Å; H319-D441 IonicContact CE1-OD1 2.72Å; H319-D441 PolarHBondContact CE1-OD1 3.34Å; H319-D441 IonicContact ND1-OD1 2.7Å; H319-D441 IonicContact NE2-OD1 3Å; R437-D441 WeakPolarHBondContact CA-OD2 3.15Å; C438-D441 PolarHBondContact N-OD2 3.31Å; C438-D441 PolarHBondContact O-N 3.46Å; C438-D441 VanDerWaalsContact SG-CG 3.58Å; C438-D441 PolarHBondContact SG-OD1 3.38Å
442Q75.4Confident65.7Low80 Ų8061.6 Ų61.637%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-132.3118.7-176.4-71.8-179.919.700108.7I264 K265 R422 L440I264-Q442 HydrophobicContact CG2-CB 3.77Å; I264-Q442 HydrophobicContact CG2-CG 3.87Å; K265-Q442 WeakPolarHBondContact O-CA 3.46Å; R422-Q442 PolarHBondContact NH2-O 2.91Å; L440-Q442 VanDerWaalsContact C-N 3.29Å; L440-Q442 PolarHBondContact O-N 3.29Å
443V68.9Low64.4Low9 Ų963.1 Ų63.16%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-110.5125.2173.7-177.70000107.9K265 L321 V375 D376 V445K265-V443 PolarHBondContact N-O 3.01Å; K265-V443 PolarHBondContact O-N 3.45Å; L321-V443 HydrophobicContact CD1-CG2 3.88Å; L321-V443 HydrophobicContact CD2-CB 4.29Å; L321-V443 HydrophobicContact CD2-CG2 3.46Å; L321-V443 VanDerWaalsContact CD2-CG2 3.46Å; L321-V443 HydrophobicContact CG-CG2 4.34Å; V375-V443 HydrophobicContact CG1-CG1 4.46Å; V375-V443 HydrophobicContact CG1-CG2 3.6Å; D376-V443 HydrophobicContact CB-CG1 3.92Å; V443-V445 PolarHBondContact O-N 2.98Å
444G60.7Low63.1Low32 Ų3261.1 Ų61.133%0.3331%0.308SS..EExtended strand (participates in β ladder)trans-63.5126.5173.200000108.8P446G444-P446 WeakPolarHBondContact O-CD 3.35Å
445V52.9Low62.2Low31 Ų3155.9 Ų55.919%0.18829%0.29CS..  trans-70.3126.8171-176.50000107.1R263 K265 V443 Q447R263-V445 HydrophobicContact CB-CB 4.5Å; R263-V445 HydrophobicContact CB-CG2 4.21Å; R263-V445 WeakPolarHBondContact O-CB 3.47Å; R263-V445 WeakPolarHBondContact O-CG2 3.35Å; R263-V445 PolarHBondContact O-N 2.83Å; K265-V445 HydrophobicContact CB-CG2 4.09Å; K265-V445 HydrophobicContact CD-CG2 3.69Å; K265-V445 HydrophobicContact CG-CG2 3.46Å; K265-V445 VanDerWaalsContact CG-CG2 3.46Å; V443-V445 PolarHBondContact O-N 2.98Å; V445-Q447 HydrophobicContact CG1-CB 4.28Å; V445-Q447 HydrophobicContact CG1-CG 3.71Å; V445-Q447 PolarHBondContact O-N 3.48Å
446P51.1Low61.2Low67 Ų6753 Ų5344%0.43527%0.271SS..THydrogen-bonded Turntrans-72.754.6176.429.7-33.9000111.2G444G444-P446 WeakPolarHBondContact O-CD 3.35Å
447Q41.1Very low60.1Low123 Ų12357 Ų5758%0.57529%0.29SS*.THydrogen-bonded Turntrans-84.6-26.1175.5-92.2179.3-3.700112.1V445V445-Q447 HydrophobicContact CG1-CB 4.28Å; V445-Q447 HydrophobicContact CG1-CG 3.71Å; V445-Q447 PolarHBondContact O-N 3.48Å
448R39.4Very low59.3Low168 Ų16847.3 Ų47.363%0.63425%0.253SS*.SBendtrans-99-20.7173.7-75.9-170.1177.8-170.80.1114.3
449H46.1Very low58Low80 Ų8049.9 Ų49.937%0.3727%0.266SS..SBendtrans-102.597.1174.1-58.8-75.5000106.9L416 P451L416-H449 VanDerWaalsContact CD2-CE1 3.42Å; L416-H449 WeakPolarHBondContact CD2-CE1 3.44Å; H449-P451 WeakPolarHBondContact O-CD 3.47Å; H449-P451 VanDerWaalsContact O-N 3.15Å
450V46.7Very low56.8Low45 Ų4551.6 Ų51.627%0.27328%0.279SS..  trans-57124.1167.5-168.70000105.5L452 R513 P514V450-L452 PolarHBondContact O-N 3.2Å; V450-R513 HydrophobicContact CG1-CB 3.98Å; V450-R513 HydrophobicContact CG1-CG 3.92Å; V450-P514 VanDerWaalsContact CB-CD 3.43Å; V450-P514 HydrophobicContact CB-CG 3.84Å; V450-P514 HydrophobicContact CG1-CG 4.17Å; V450-P514 HydrophobicContact CG2-CG 4.32Å
451P50.6Low55.5Low34 Ų3451.9 Ų51.922%0.22128%0.281CS..  trans-55.4110.2-179.217.2-28000107.7P326 H449 S453P326-P451 HydrophobicContact CG-CB 3.96Å; P326-P451 HydrophobicContact CG-CG 4.37Å; H449-P451 WeakPolarHBondContact O-CD 3.47Å; H449-P451 VanDerWaalsContact O-N 3.15Å; P451-S453 PolarHBondContact O-N 3.24Å
452L54.3Low54.4Low37 Ų3751.9 Ų51.919%0.19428%0.283CS..PPolyproline II helixtrans-63.9118.5-179.5-67.3162.3000106W380 M415 V450 P514 L516W380-L452 HydrophobicContact CZ2-CB 4.15Å; W380-L452 PolarHBondContact NE1-O 2.97Å; M415-L452 HydrophobicContact CB-CD1 4.2Å; M415-L452 HydrophobicContact CE-CD1 3.51Å; M415-L452 HydrophobicContact CE-CD2 4.09Å; M415-L452 HydrophobicContact CE-CG 4.46Å; M415-L452 HydrophobicContact CG-CD1 4.06Å; V450-L452 PolarHBondContact O-N 3.2Å; L452-P514 HydrophobicContact CD2-CB 3.86Å; L452-P514 HydrophobicContact CD2-CG 4.16Å; L452-L516 HydrophobicContact CB-CD1 4.01Å; L452-L516 HydrophobicContact CB-CG 4.23Å; L452-L516 HydrophobicContact CD1-CD1 4.04Å; L452-L516 HydrophobicContact CD2-CG 4.3Å; L452-L516 HydrophobicContact CG-CD1 4.44Å
453S53.7Low53.2Low54 Ų5453.7 Ų53.738%0.37830%0.295SS..EExtended strand (participates in β ladder)trans-88.2119.5173.5-168.30000106.4P451 P514 L515 L516P451-S453 PolarHBondContact O-N 3.24Å; S453-P514 PolarHBondContact N-O 2.91Å; S453-P514 VanDerWaalsContact N-O 3.11Å; S453-L515 VanDerWaalsContact O-CA 3.3Å; S453-L515 WeakPolarHBondContact O-CA 3.45Å; S453-L516 PolarHBondContact O-N 3.46Å
454V53.5Low52.2Low8 Ų856.2 Ų56.25%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-78135.6167.1-178.50000107.1L384 P456 L516 V518L384-V454 HydrophobicContact CD1-CB 3.78Å; L384-V454 HydrophobicContact CD1-CG1 3.96Å; L384-V454 HydrophobicContact CD1-CG2 3.29Å; L384-V454 HydrophobicContact CD2-CG2 4.47Å; L384-V454 HydrophobicContact CG-CG2 4.46Å; V454-P456 WeakPolarHBondContact O-CD 3.47Å; V454-L516 WeakPolarHBondContact CA-O 3.39Å; V454-L516 HydrophobicContact CG2-CB 4.1Å; V454-L516 HydrophobicContact CG2-CD1 4.28Å; V454-V518 HydrophobicContact CG1-CB 4.49Å; V454-V518 HydrophobicContact CG1-CG2 3.93Å
455C55.6Low51.8Low13 Ų1355.1 Ų55.19%0.08830%0.3CS..  trans-73.1114.1173.4-160.60000108.2Q457 S460 V461 L515 L516 L517C455-Q457 PolarHBondContact O-N 3.4Å; C455-Q457 PolarHBondContact SG-O 3.37Å; C455-S460 PolarHBondContact SG-OG 3Å; C455-S460 VanDerWaalsContact SG-OG 3.4Å; C455-V461 HydrophobicContact CB-CG2 4.38Å; C455-V461 WeakPolarHBondContact SG-CG2 3.03Å; C455-L515 HydrophobicContact CB-CD1 4.14Å; C455-L515 HydrophobicContact CB-CD2 3.69Å; C455-L515 HydrophobicContact CB-CG 4.05Å; C455-L516 PolarHBondContact N-O 2.68Å; C455-L517 HydrophobicContact CB-CD1 3.93Å
456P50.2Low51.8Low64 Ų6455.9 Ų55.942%0.41631%0.305SS..SBendtrans-75.2-17.7-173.730-33.9000112.6V454V454-P456 WeakPolarHBondContact O-CD 3.47Å
457Q58.9Low51.9Low99 Ų9956.2 Ų56.246%0.46331%0.306SS..  trans-150.3126-174.2-58.9-174.1-32.600111.6C455 D459 S460 D538 T540C455-Q457 PolarHBondContact O-N 3.4Å; C455-Q457 PolarHBondContact SG-O 3.37Å; Q457-D459 PolarHBondContact O-N 3.16Å; Q457-S460 WeakPolarHBondContact O-CB 3.39Å; Q457-S460 PolarHBondContact O-N 2.99Å; Q457-S460 PolarHBondContact O-OG 3.34Å; Q457-D538 WeakPolarHBondContact CA-OD2 3.22Å; Q457-T540 HydrophobicContact CB-CG2 3.84Å; Q457-T540 HydrophobicContact CG-CG2 3.65Å
458M60.1Low52.5Low1 Ų155.6 Ų55.61%0.00531%0.307CS..Hα-helixtrans-61.7-29.4172.9-76.4-69.5-112.100112.8S460 V461 S462 L517 L536 D538 T540 A541 V543 L610M458-S460 PolarHBondContact O-N 3.4Å; M458-V461 WeakPolarHBondContact O-CB 3.34Å; M458-V461 PolarHBondContact O-N 2.99Å; M458-V461 VanDerWaalsContact O-N 3.1Å; M458-S462 PolarHBondContact O-N 3.31Å; M458-S462 VanDerWaalsContact O-N 3.15Å; M458-S462 PolarHBondContact O-OG 3.37Å; M458-L517 HydrophobicContact CE-CD2 4.21Å; M458-L517 HydrophobicContact SD-CD1 3.63Å; M458-L517 HydrophobicContact SD-CD2 4.09Å; M458-L517 HydrophobicContact SD-CG 4.16Å; M458-L536 HydrophobicContact CE-CB 3.64Å; M458-L536 HydrophobicContact CE-CD2 3.79Å; M458-L536 HydrophobicContact CE-CG 3.83Å; M458-L536 WeakPolarHBondContact CE-O 3.27Å; M458-D538 WeakPolarHBondContact CB-OD2 3.3Å; M458-D538 HydrophobicContact CG-CB 4.3Å; M458-D538 VanDerWaalsContact CG-OD2 3.3Å; M458-D538 WeakPolarHBondContact CG-OD2 3.42Å; M458-D538 PolarHBondContact N-OD2 3.4Å; M458-T540 PolarHBondContact N-OG1 3.26Å; M458-T540 VanDerWaalsContact N-OG1 3.08Å; M458-A541 HydrophobicContact CB-CB 3.92Å; M458-V543 HydrophobicContact CB-CG2 4.22Å; M458-V543 HydrophobicContact CE-CB 3.53Å; M458-V543 HydrophobicContact CE-CG2 3.57Å; M458-V543 HydrophobicContact SD-CB 4.4Å; M458-V543 HydrophobicContact SD-CG2 3.84Å; M458-L610 HydrophobicContact CE-CD1 4.47Å
459D56.2Low53Low64 Ų6447.8 Ų47.834%0.34228%0.278SS..Hα-helixtrans-57.7-38173.1-89-32000112.6Q457 V461 S462 L463 T540 A541Q457-D459 PolarHBondContact O-N 3.16Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.38Å; D459-S462 PolarHBondContact O-N 3.46Å; D459-L463 HydrophobicContact CB-CD1 4.26Å; D459-L463 VanDerWaalsContact O-CB 3.23Å; D459-L463 WeakPolarHBondContact O-CB 3.38Å; D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 3.29Å; D459-T540 PolarHBondContact N-OG1 2.86Å; D459-T540 WeakPolarHBondContact OD2-CB 3.22Å; D459-A541 VanDerWaalsContact OD1-CB 3.27Å; D459-A541 WeakPolarHBondContact OD1-CB 3.28Å
460S54.2Low53.2Low41 Ų4146.5 Ų46.529%0.28727%0.274SS..Hα-helixtrans-67.3-30.3179.374.90000112.2C455 Q457 M458 S464C455-S460 PolarHBondContact SG-OG 3Å; C455-S460 VanDerWaalsContact SG-OG 3.4Å; Q457-S460 WeakPolarHBondContact O-CB 3.39Å; Q457-S460 PolarHBondContact O-N 2.99Å; Q457-S460 PolarHBondContact O-OG 3.34Å; M458-S460 PolarHBondContact O-N 3.4Å; S460-S464 WeakPolarHBondContact O-CB 3.48Å; S460-S464 PolarHBondContact O-N 2.85Å; S460-S464 VanDerWaalsContact O-N 3.12Å; S460-S464 PolarHBondContact O-OG 2.96Å
461V57.5Low53.5Low7 Ų752.3 Ų52.34%0.04230%0.298CS..Hα-helixtrans-70.8-42.9177.1177.90000110C455 M458 D459 S465 L517 M579C455-V461 HydrophobicContact CB-CG2 4.38Å; C455-V461 WeakPolarHBondContact SG-CG2 3.03Å; M458-V461 WeakPolarHBondContact O-CB 3.34Å; M458-V461 PolarHBondContact O-N 2.99Å; M458-V461 VanDerWaalsContact O-N 3.1Å; D459-V461 VanDerWaalsContact C-N 3.27Å; D459-V461 PolarHBondContact O-N 3.38Å; V461-S465 PolarHBondContact O-OG 3.19Å; V461-S465 VanDerWaalsContact O-OG 3.09Å; V461-L517 HydrophobicContact CG2-CD1 4.48Å; V461-M579 HydrophobicContact CB-CE 4.15Å; V461-M579 HydrophobicContact CG1-CE 3.07Å; V461-M579 WeakPolarHBondContact O-CE 3.38Å
462S56.3Low53.4Low32 Ų3253.4 Ų53.422%0.22431%0.307CS..Hα-helixtrans-76.9-37.5-179.9-590000113.6M458 D459 V466 V543M458-S462 PolarHBondContact O-N 3.31Å; M458-S462 VanDerWaalsContact O-N 3.15Å; M458-S462 PolarHBondContact O-OG 3.37Å; D459-S462 PolarHBondContact O-N 3.46Å; S462-V466 VanDerWaalsContact O-CG2 3.3Å; S462-V466 WeakPolarHBondContact O-CG2 2.75Å; S462-V543 WeakPolarHBondContact OG-CG2 3.32Å
463L48.2Very low53.6Low119 Ų11954 Ų5462%0.62331%0.31SS*.Hα-helixtrans-94.7-32.5-172-68.6166.8000114.4D459 S465 P467D459-L463 HydrophobicContact CB-CD1 4.26Å; D459-L463 VanDerWaalsContact O-CB 3.23Å; D459-L463 WeakPolarHBondContact O-CB 3.38Å; D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 3.29Å; L463-S465 VanDerWaalsContact C-N 3.31Å; L463-S465 PolarHBondContact O-N 2.79Å; L463-P467 WeakPolarHBondContact O-CD 3.37Å
464S49.1Very low53.9Low62 Ų6258 Ų5843%0.43432%0.322SS..Hα-helixtrans-74.4-22.7-178.368.70000113.3S460S460-S464 WeakPolarHBondContact O-CB 3.48Å; S460-S464 PolarHBondContact O-N 2.85Å; S460-S464 VanDerWaalsContact O-N 3.12Å; S460-S464 PolarHBondContact O-OG 2.96Å
465S51.8Low54.2Low8 Ų858.3 Ų58.36%0.05633%0.325CS..Hα-helixtrans-82.4-32.6-177.756.70000112.8V461 L463 V469V461-S465 PolarHBondContact O-OG 3.19Å; V461-S465 VanDerWaalsContact O-OG 3.09Å; L463-S465 VanDerWaalsContact C-N 3.31Å; L463-S465 PolarHBondContact O-N 2.79Å; S465-V469 WeakPolarHBondContact O-CB 3.46Å; S465-V469 WeakPolarHBondContact O-CG2 3.3Å; S465-V469 PolarHBondContact O-N 3.17Å; S465-V469 VanDerWaalsContact O-N 3.11Å
466V54.2Low54.4Low48 Ų4860.9 Ų60.929%0.29134%0.343SS..Hα-helixtrans-67.6-45.4-170.9178.60000113.5S462 L470 V608S462-V466 VanDerWaalsContact O-CG2 3.3Å; S462-V466 WeakPolarHBondContact O-CG2 2.75Å; V466-L470 HydrophobicContact CG1-CD1 3.7Å; V466-L470 HydrophobicContact CG1-CG 4.44Å; V466-L470 WeakPolarHBondContact O-CB 3.48Å; V466-L470 WeakPolarHBondContact O-CD1 3.47Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 2.86Å; V466-L470 VanDerWaalsContact O-N 3.09Å; V466-V608 HydrophobicContact CG2-CG2 4.29Å
467P52.5Low55.1Low73 Ų7361.9 Ų61.947%0.47435%0.352SS..Hα-helixtrans-69.1-48.1-178.5-17.730.9000113.4L463 V469 L470 Q471L463-P467 WeakPolarHBondContact O-CD 3.37Å; P467-V469 VanDerWaalsContact C-N 3.31Å; P467-V469 PolarHBondContact O-N 2.67Å; P467-L470 PolarHBondContact O-N 3.46Å; P467-Q471 PolarHBondContact O-N 2.79Å
468D52.4Low55.4Low111 Ų11160.2 Ų60.259%0.59435%0.345SS*.Hα-helixtrans-65.5-36.7-179.1-76.4-8.4000111.4Q471 S472D468-Q471 PolarHBondContact O-N 2.76Å; D468-S472 WeakPolarHBondContact O-CB 3.36Å; D468-S472 PolarHBondContact O-N 2.81Å; D468-S472 PolarHBondContact O-OG 2.61Å
469V50.8Low55.8Low3 Ų361.1 Ų61.12%0.01835%0.35CS..Hα-helixtrans-66.7-42.7175.4161.20000111.6S465 P467 Q471 S472 T581 R583S465-V469 WeakPolarHBondContact O-CB 3.46Å; S465-V469 WeakPolarHBondContact O-CG2 3.3Å; S465-V469 PolarHBondContact O-N 3.17Å; S465-V469 VanDerWaalsContact O-N 3.11Å; P467-V469 VanDerWaalsContact C-N 3.31Å; P467-V469 PolarHBondContact O-N 2.67Å; V469-Q471 VanDerWaalsContact C-N 3.27Å; V469-Q471 PolarHBondContact O-N 2.8Å; V469-S472 WeakPolarHBondContact CA-OG 3.16Å; V469-S472 PolarHBondContact O-N 2.85Å; V469-S472 PolarHBondContact O-OG 3.13Å; V469-T581 HydrophobicContact CG1-CG2 4.09Å; V469-R583 VanDerWaalsContact CG1-CZ 3.44Å
470L50.9Low56.1Low54 Ų5461 Ų6128%0.28335%0.353SS..Hα-helixtrans-68.2-26.9178.6-73.2169.8000112.5V466 P467V466-L470 HydrophobicContact CG1-CD1 3.7Å; V466-L470 HydrophobicContact CG1-CG 4.44Å; V466-L470 WeakPolarHBondContact O-CB 3.48Å; V466-L470 WeakPolarHBondContact O-CD1 3.47Å; V466-L470 WeakPolarHBondContact O-CG 3.49Å; V466-L470 PolarHBondContact O-N 2.86Å; V466-L470 VanDerWaalsContact O-N 3.09Å; P467-L470 PolarHBondContact O-N 3.46Å
471Q53Low56Low166 Ų16664 Ų6478%0.77637%0.372SS*.Hα-helixtrans-80.7-28.6172.3-80.9-178.5-1000113.6P467 D468 V469 L473P467-Q471 PolarHBondContact O-N 2.79Å; D468-Q471 PolarHBondContact O-N 2.76Å; V469-Q471 VanDerWaalsContact C-N 3.27Å; V469-Q471 PolarHBondContact O-N 2.8Å; Q471-L473 PolarHBondContact O-N 3.03Å
472S48.7Very low56Low58 Ų5866 Ų6641%0.40639%0.394SS..  trans-74.50.8-177.670.20000116D468 V469 Q474D468-S472 WeakPolarHBondContact O-CB 3.36Å; D468-S472 PolarHBondContact O-N 2.81Å; D468-S472 PolarHBondContact O-OG 2.61Å; V469-S472 WeakPolarHBondContact CA-OG 3.16Å; V469-S472 PolarHBondContact O-N 2.85Å; V469-S472 PolarHBondContact O-OG 3.13Å; S472-Q474 PolarHBondContact O-N 3.21Å
473L56.8Low56.2Low50 Ų5068.8 Ų68.826%0.26241%0.409SS..  trans-73.896-176.8-77.2165.8000111.7Q471 S475 L478Q471-L473 PolarHBondContact O-N 3.03Å; L473-S475 PolarHBondContact O-N 3.3Å; L473-L478 HydrophobicContact CD2-CD1 4.32Å
474Q60.9Low57.1Low137 Ų13764.6 Ų64.664%0.6439%0.387SS*.  trans-85.390.8159.6-69.4-174-9.800109.2S472 S476 S477S472-Q474 PolarHBondContact O-N 3.21Å; Q474-S476 PolarHBondContact O-N 2.84Å; Q474-S477 PolarHBondContact O-N 2.93Å; Q474-S477 PolarHBondContact O-OG 2.88Å
475S60.3Low57.9Low14 Ų1462.6 Ų62.610%0.09837%0.373CS..THydrogen-bonded Turntrans-53.3-23.1-178.5-52.70000114L473L473-S475 PolarHBondContact O-N 3.3Å
476S59.5Low58.8Low68 Ų6862.7 Ų62.748%0.47637%0.374SS..THydrogen-bonded Turntrans-73.9-26.2177.2520000114.5Q474Q474-S476 PolarHBondContact O-N 2.84Å
477S63.8Low59.4Low85 Ų8564.3 Ų64.359%0.59439%0.387SS*.THydrogen-bonded Turntrans-83-18.4-17967.40000113.7Q474Q474-S477 PolarHBondContact O-N 2.93Å; Q474-S477 PolarHBondContact O-OG 2.88Å
478L66.9Low60.3Low63 Ų6364.1 Ų64.133%0.3338%0.38SS..SBendtrans-82.6-14.3179.9-65.3176000113.6L473 L493L473-L478 HydrophobicContact CD2-CD1 4.32Å; L478-L493 HydrophobicContact CB-CD2 4.13Å; L478-L493 HydrophobicContact CD1-CD2 4.31Å
479L68.1Low61.2Low21 Ų2158.8 Ų58.811%0.1135%0.352CS..SBendtrans-105.2141-177-67.1169.4000111.1L484 V489 L493 L595L479-L484 HydrophobicContact CB-CD1 4.36Å; L479-L484 HydrophobicContact CD2-CD1 4.06Å; L479-V489 HydrophobicContact CD1-CG1 4.01Å; L479-L493 HydrophobicContact CD1-CD1 4.29Å; L479-L493 HydrophobicContact CD1-CD2 4.19Å; L479-L493 HydrophobicContact CD1-CG 4.21Å; L479-L493 HydrophobicContact CD2-CD2 4.37Å; L479-L493 HydrophobicContact CD2-CG 4.31Å; L479-L493 HydrophobicContact CG-CD2 4.06Å; L479-L493 HydrophobicContact CG-CG 4.36Å; L479-L595 HydrophobicContact CD1-CD1 3.77Å; L479-L595 HydrophobicContact CD1-CD2 4.13Å
480P62.6Low62.4Low60 Ų6059.6 Ų59.639%0.3936%0.356SS..  trans-65149.4175.727.3-33.8000111.1G482 L484P480-G482 PolarHBondContact O-N 3.37Å; P480-G482 VanDerWaalsContact O-N 3.08Å; P480-L484 HydrophobicContact CG-CD1 4.4Å
481P51.9Low63.3Low106 Ų10658 Ų5869%0.68835%0.349SS*.SBendtrans-65.2111.4179.625.6-32.8000110.6
482G56.9Low64.1Low49 Ų4951.3 Ų51.351%0.50533%0.325SS..SBendtrans168.8178.8179.800000115.1P480P480-G482 PolarHBondContact O-N 3.37Å; P480-G482 VanDerWaalsContact O-N 3.08Å
483V60.5Low65.4Low89 Ų8948.8 Ų48.854%0.53931%0.307SS..  trans-93.799178.2-174.90000109.1T998V483-T998 HydrophobicContact CG1-CG2 3.57Å
484L66.8Low66.2Low32 Ų3246.8 Ų46.817%0.16830%0.297CS..  trans-98.6146.3-179.6-60.1176.3000111.6L479 P480 Q488 V489 T998L479-L484 HydrophobicContact CB-CD1 4.36Å; L479-L484 HydrophobicContact CD2-CD1 4.06Å; P480-L484 HydrophobicContact CG-CD1 4.4Å; L484-Q488 HydrophobicContact CB-CB 4.02Å; L484-Q488 HydrophobicContact CD2-CB 4.39Å; L484-V489 HydrophobicContact CB-CG2 3.7Å; L484-V489 HydrophobicContact CD1-CG2 4.42Å; L484-T998 WeakPolarHBondContact O-CG2 3.1Å
485S67.5Low67.1Low19 Ų1941 Ų4113%0.13327%0.269CS..  trans-68.5161.1169.866.10000111.4S487 Q488 V489S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 PolarHBondContact OG-OG 2.82Å; S485-Q488 WeakPolarHBondContact O-CB 3.4Å; S485-Q488 PolarHBondContact O-N 3.37Å; S485-Q488 WeakPolarHBondContact OG-CB 3.32Å; S485-Q488 VanDerWaalsContact OG-CG 3.23Å; S485-Q488 WeakPolarHBondContact OG-CG 3.41Å; S485-Q488 PolarHBondContact OG-N 3.46Å; S485-Q488 PolarHBondContact OG-OE1 2.57Å; S485-V489 WeakPolarHBondContact O-CG2 3.09Å; S485-V489 PolarHBondContact O-N 3.3Å
486S69.6Low67.9Low11 Ų1141 Ų418%0.07727%0.269CS..Hα-helixtrans-55.4-43.8176.3173.50000111.2Q488 V489 N490 F589 P590 S979S486-Q488 VanDerWaalsContact C-N 3.34Å; S486-Q488 PolarHBondContact O-N 3.28Å; S486-V489 PolarHBondContact O-N 2.98Å; S486-N490 PolarHBondContact O-N 3.43Å; S486-N490 PolarHBondContact O-ND2 3.37Å; S486-N490 PolarHBondContact OG-ND2 3.1Å; S486-F589 WeakPolarHBondContact CB-O 3.11Å; S486-F589 PolarHBondContact OG-O 3.36Å; S486-P590 WeakPolarHBondContact CB-O 3Å; S486-S979 WeakPolarHBondContact CB-O 3.49Å; S486-S979 PolarHBondContact N-O 3.04Å
487S67.2Low68.8Low82 Ų8241.2 Ų41.257%0.57326%0.26SS*.Hα-helixtrans-58.4-43.7174.454.50000112.6S485 S491S485-S487 PolarHBondContact O-N 3.22Å; S485-S487 PolarHBondContact OG-OG 2.82Å; S487-S491 WeakPolarHBondContact O-CB 3.32Å; S487-S491 PolarHBondContact O-N 3.11Å; S487-S491 PolarHBondContact O-OG 3.42Å
488Q70.1Confident69.5Low68 Ų6841 Ų4132%0.31825%0.246SC..Hα-helixtrans-67.1-41.1179.4-74.5168-19.600112L484 S485 S486 S491 G492L484-Q488 HydrophobicContact CB-CB 4.02Å; L484-Q488 HydrophobicContact CD2-CB 4.39Å; S485-Q488 WeakPolarHBondContact O-CB 3.4Å; S485-Q488 PolarHBondContact O-N 3.37Å; S485-Q488 WeakPolarHBondContact OG-CB 3.32Å; S485-Q488 VanDerWaalsContact OG-CG 3.23Å; S485-Q488 WeakPolarHBondContact OG-CG 3.41Å; S485-Q488 PolarHBondContact OG-N 3.46Å; S485-Q488 PolarHBondContact OG-OE1 2.57Å; S486-Q488 VanDerWaalsContact C-N 3.34Å; S486-Q488 PolarHBondContact O-N 3.28Å; Q488-S491 WeakPolarHBondContact CA-OG 3.44Å; Q488-S491 PolarHBondContact O-OG 3.12Å; Q488-G492 PolarHBondContact O-N 3.47Å
489V72.6Confident70.1Confident0 Ų040 Ų400%024%0.243CC..Hα-helixtrans-60.9-57.3176.6172.30000110.7L479 L484 S485 S486 S491 G492 L493 F589 C592 L595L479-V489 HydrophobicContact CD1-CG1 4.01Å; L484-V489 HydrophobicContact CB-CG2 3.7Å; L484-V489 HydrophobicContact CD1-CG2 4.42Å; S485-V489 WeakPolarHBondContact O-CG2 3.09Å; S485-V489 PolarHBondContact O-N 3.3Å; S486-V489 PolarHBondContact O-N 2.98Å; V489-S491 PolarHBondContact O-N 3.32Å; V489-G492 PolarHBondContact O-N 3.15Å; V489-L493 HydrophobicContact CG1-CD1 3.97Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 3.09Å; V489-L493 VanDerWaalsContact O-N 3.08Å; V489-F589 HydrophobicContact CG1-CB 3.98Å; V489-C592 VanDerWaalsContact CG2-SG 3.51Å; V489-L595 HydrophobicContact CG1-CD2 3.99Å
490N75Confident70.6Confident20 Ų2039.8 Ų39.811%0.10724%0.242CC..Hα-helixtrans-63.5-33.3-176.5-66.2-38.7000112S486 S494 S587 F589S486-N490 PolarHBondContact O-N 3.43Å; S486-N490 PolarHBondContact O-ND2 3.37Å; S486-N490 PolarHBondContact OG-ND2 3.1Å; N490-S494 WeakPolarHBondContact O-CB 3.3Å; N490-S494 PolarHBondContact O-N 3.38Å; N490-S494 VanDerWaalsContact O-N 3.08Å; N490-S587 WeakPolarHBondContact CB-O 3.28Å; N490-S587 PolarHBondContact OD1-O 2.66Å; N490-S587 PolarHBondContact OD1-OG 2.86Å; N490-F589 PolarHBondContact ND2-N 3.3Å; N490-F589 PolarHBondContact ND2-O 3.34Å; N490-F589 WeakPolarHBondContact OD1-CA 3.4Å; N490-F589 WeakPolarHBondContact OD1-CB 3.37Å; N490-F589 WeakPolarHBondContact OD1-CD2 3.44Å; N490-F589 PolarHBondContact OD1-N 2.63Å
491S70.4Confident71.4Confident20 Ų2037.7 Ų37.714%0.1423%0.227CC..Hα-helixtrans-76.5-23.6176.675.50000114.6S487 Q488 V489 S494 T852 N854S487-S491 WeakPolarHBondContact O-CB 3.32Å; S487-S491 PolarHBondContact O-N 3.11Å; S487-S491 PolarHBondContact O-OG 3.42Å; Q488-S491 WeakPolarHBondContact CA-OG 3.44Å; Q488-S491 PolarHBondContact O-OG 3.12Å; V489-S491 PolarHBondContact O-N 3.32Å; S491-S494 PolarHBondContact O-OG 3.17Å; S491-T852 WeakPolarHBondContact O-CG2 2.92Å; S491-T852 WeakPolarHBondContact OG-CG2 3.28Å; S491-N854 WeakPolarHBondContact CB-OD1 3.47Å
492G69.9Low72.6Confident26 Ų2632.7 Ų32.727%0.26820%0.195SC..Hα-helixtrans-81.1-25.2173.400000112.5Q488 V489Q488-G492 PolarHBondContact O-N 3.47Å; V489-G492 PolarHBondContact O-N 3.15Å
493L75.3Confident73.2Confident5 Ų532.3 Ų32.33%0.02618%0.182CC..Hα-helixtrans-93.6-11.1178.2-63.7173.9000113.6L478 L479 V489 W495 L585 F589 L595L478-L493 HydrophobicContact CB-CD2 4.13Å; L478-L493 HydrophobicContact CD1-CD2 4.31Å; L479-L493 HydrophobicContact CD1-CD1 4.29Å; L479-L493 HydrophobicContact CD1-CD2 4.19Å; L479-L493 HydrophobicContact CD1-CG 4.21Å; L479-L493 HydrophobicContact CD2-CD2 4.37Å; L479-L493 HydrophobicContact CD2-CG 4.31Å; L479-L493 HydrophobicContact CG-CD2 4.06Å; L479-L493 HydrophobicContact CG-CG 4.36Å; V489-L493 HydrophobicContact CG1-CD1 3.97Å; V489-L493 WeakPolarHBondContact O-CG 3.44Å; V489-L493 PolarHBondContact O-N 3.09Å; V489-L493 VanDerWaalsContact O-N 3.08Å; L493-W495 PolarHBondContact O-N 2.83Å; L493-L585 HydrophobicContact CB-CD2 4.06Å; L493-L585 WeakPolarHBondContact O-CB 3.39Å; L493-F589 HydrophobicContact CD1-CD2 3.81Å; L493-F589 HydrophobicContact CD1-CE2 3.88Å; L493-L595 HydrophobicContact CD1-CD2 3.63Å
494S74.2Confident73.2Confident8 Ų830.4 Ų30.46%0.05617%0.171CC..SBendtrans-60.9-29.7-172580000114.1N490 S491 F584 L585 W853N490-S494 WeakPolarHBondContact O-CB 3.3Å; N490-S494 PolarHBondContact O-N 3.38Å; N490-S494 VanDerWaalsContact O-N 3.08Å; S491-S494 PolarHBondContact O-OG 3.17Å; S494-F584 WeakPolarHBondContact O-CA 3.43Å; S494-L585 VanDerWaalsContact CA-O 3.31Å; S494-L585 WeakPolarHBondContact CA-O 3.44Å; S494-L585 PolarHBondContact O-N 3.43Å; S494-W853 WeakPolarHBondContact CB-O 3.49Å; S494-W853 PolarHBondContact OG-O 3.08Å
495W79.8Confident73Confident16 Ų1637.9 Ų37.96%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-141.1136175.3-179.385.1000110.3L493 Y497 E582 R583 F584 W853 L898 P899L493-W495 PolarHBondContact O-N 2.83Å; W495-Y497 AromaticContact CH2-CD1 3.33Å; W495-Y497 HydrophobicContact CH2-CD1 3.33Å; W495-Y497 HydrophobicContact CH2-CE1 4.03Å; W495-Y497 AromaticContact CH2-CG 3.96Å; W495-Y497 HydrophobicContact CH2-CG 3.96Å; W495-Y497 HydrophobicContact CZ2-CD1 4.14Å; W495-Y497 HydrophobicContact CZ2-CG 4.37Å; W495-Y497 AromaticContact CZ3-CD1 3.64Å; W495-Y497 HydrophobicContact CZ3-CD1 3.64Å; W495-Y497 HydrophobicContact CZ3-CE1 4.2Å; W495-E582 HydrophobicContact CZ2-CG 4.17Å; W495-E582 PolarHBondContact NE1-OE2 3.35Å; W495-E582 VanDerWaalsContact NE1-OE2 3.13Å; W495-R583 WeakPolarHBondContact CA-O 3.2Å; W495-F584 AromaticContact CD1-CD1 3.64Å; W495-F584 AromaticContact CD1-CE1 3.33Å; W495-F584 AromaticContact CD1-CZ 3.74Å; W495-F584 HydrophobicContact CG-CE1 4.47Å; W495-F584 AromaticContact NE1-CE1 3.8Å; W495-F584 AromaticContact NE1-CZ 3.78Å; W495-W853 HydrophobicContact CB-CB 3.87Å; W495-W853 HydrophobicContact CB-CD2 3.72Å; W495-W853 HydrophobicContact CB-CE3 3.75Å; W495-W853 HydrophobicContact CB-CG 3.8Å; W495-W853 AromaticContact CD1-CE3 3.94Å; W495-W853 AromaticContact CD1-CZ3 3.87Å; W495-W853 AromaticContact CD2-CD2 3.69Å; W495-W853 HydrophobicContact CD2-CD2 3.69Å; W495-W853 AromaticContact CD2-CE2 3.59Å; W495-W853 AromaticContact CD2-CE3 3.87Å; W495-W853 HydrophobicContact CD2-CE3 3.87Å; W495-W853 HydrophobicContact CD2-CG 4.34Å; W495-W853 AromaticContact CD2-CH2 3.87Å; W495-W853 HydrophobicContact CD2-CH2 3.87Å; W495-W853 AromaticContact CD2-CZ2 3.69Å; W495-W853 HydrophobicContact CD2-CZ2 3.69Å; W495-W853 AromaticContact CD2-CZ3 3.95Å; W495-W853 HydrophobicContact CD2-CZ3 3.95Å; W495-W853 AromaticContact CE2-CH2 3.65Å; W495-W853 AromaticContact CE2-CZ2 3.78Å; W495-W853 AromaticContact CE2-CZ3 3.95Å; W495-W853 AromaticContact CE3-CD1 3.99Å; W495-W853 AromaticContact CE3-CD2 3.79Å; W495-W853 HydrophobicContact CE3-CD2 3.79Å; W495-W853 AromaticContact CE3-CE2 3.35Å; W495-W853 HydrophobicContact CE3-CE3 4.43Å; W495-W853 HydrophobicContact CE3-CG 4.16Å; W495-W853 HydrophobicContact CE3-CH2 4.31Å; W495-W853 AromaticContact CE3-CZ2 3.66Å; W495-W853 HydrophobicContact CE3-CZ2 3.66Å; W495-W853 AromaticContact CE3-NE1 3.48Å; W495-W853 AromaticContact CG-CD2 3.69Å; W495-W853 HydrophobicContact CG-CD2 3.69Å; W495-W853 AromaticContact CG-CE3 3.56Å; W495-W853 HydrophobicContact CG-CE3 3.56Å; W495-W853 HydrophobicContact CG-CG 4.25Å; W495-W853 HydrophobicContact CG-CH2 4.29Å; W495-W853 HydrophobicContact CG-CZ2 4.42Å; W495-W853 AromaticContact CG-CZ3 3.87Å; W495-W853 HydrophobicContact CG-CZ3 3.87Å; W495-W853 HydrophobicContact CH2-CH2 4.35Å; W495-W853 AromaticContact CH2-CZ2 3.81Å; W495-W853 HydrophobicContact CH2-CZ2 3.81Å; W495-W853 AromaticContact CZ2-CH2 3.91Å; W495-W853 HydrophobicContact CZ2-CH2 3.91Å; W495-W853 AromaticContact CZ2-CZ2 3.85Å; W495-W853 HydrophobicContact CZ2-CZ2 3.85Å; W495-W853 AromaticContact CZ3-CE2 3.76Å; W495-W853 AromaticContact CZ3-CZ2 3.72Å; W495-W853 HydrophobicContact CZ3-CZ2 3.72Å; W495-W853 AromaticContact CZ3-NE1 3.79Å; W495-W853 AromaticContact NE1-CH2 3.95Å; W495-W853 AromaticContact NE1-CZ3 3.86Å; W495-L898 HydrophobicContact CH2-CD2 4.24Å; W495-L898 HydrophobicContact CZ2-CD2 4Å; W495-P899 HydrophobicContact CH2-CG 4.42Å; W495-P899 HydrophobicContact CZ3-CG 4.45Å
496S76.4Confident72.6Confident13 Ų1344.4 Ų44.49%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-147.7163.5170.662.90000109.3R583S496-R583 PolarHBondContact N-O 3.16Å; S496-R583 PolarHBondContact O-N 3.42Å
497Y79.6Confident72.2Confident73 Ų7345.9 Ų45.929%0.28624%0.235SC..EExtended strand (participates in β ladder)trans-135.8162.6176.472.7-75.6000110.9W495 T499 T581 R583 L898 P899W495-Y497 AromaticContact CH2-CD1 3.33Å; W495-Y497 HydrophobicContact CH2-CD1 3.33Å; W495-Y497 HydrophobicContact CH2-CE1 4.03Å; W495-Y497 AromaticContact CH2-CG 3.96Å; W495-Y497 HydrophobicContact CH2-CG 3.96Å; W495-Y497 HydrophobicContact CZ2-CD1 4.14Å; W495-Y497 HydrophobicContact CZ2-CG 4.37Å; W495-Y497 AromaticContact CZ3-CD1 3.64Å; W495-Y497 HydrophobicContact CZ3-CD1 3.64Å; W495-Y497 HydrophobicContact CZ3-CE1 4.2Å; Y497-T499 HydrophobicContact CD2-CG2 3.99Å; Y497-T499 HydrophobicContact CE2-CG2 4.06Å; Y497-T581 CarbonylContact C-O 3.53Å; Y497-T581 VanDerWaalsContact CA-O 3.22Å; Y497-T581 WeakPolarHBondContact CA-O 3.29Å; Y497-R583 VanDerWaalsContact C-NH1 3.34Å; Y497-R583 PolarHBondContact O-NH1 3.4Å; Y497-L898 HydrophobicContact CD2-CD1 4.49Å; Y497-L898 HydrophobicContact CD2-CD2 4.08Å; Y497-L898 HydrophobicContact CG-CD2 4.1Å; Y497-P899 HydrophobicContact CE1-CG 3.9Å
498R77.8Confident72Confident80 Ų8047 Ų4730%0.30224%0.235SC..EExtended strand (participates in β ladder)trans-138.5138.3166.9-178.4176.8-170-174.30108.2D508 T581R498-D508 IonicContact NH2-OD2 3.99Å; R498-T581 PolarHBondContact N-O 3.44Å; R498-T581 PolarHBondContact O-N 3.44Å
499T79.8Confident71.8Confident42 Ų4245.4 Ų45.426%0.25823%0.232SC..EExtended strand (participates in β ladder)trans-110.8135.3173.748.90000108.8Y497 T578 M579 V580 L898Y497-T499 HydrophobicContact CD2-CG2 3.99Å; Y497-T499 HydrophobicContact CE2-CG2 4.06Å; T499-T578 HydrophobicContact CG2-CG2 3.94Å; T499-M579 CarbonylContact C-O 3.58Å; T499-M579 VanDerWaalsContact CA-O 3.28Å; T499-M579 WeakPolarHBondContact CA-O 3.37Å; T499-V580 HydrophobicContact CG2-CG2 4.23Å; T499-L898 HydrophobicContact CG2-CD1 4.41Å
500L78.8Confident71.4Confident17 Ų1747.4 Ų47.49%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-123.3125172.3-64.6174.2000108.2D508 L510 M579L500-D508 CarbonylContact C-O 3.59Å; L500-D508 WeakPolarHBondContact CA-O 3.23Å; L500-D508 HydrophobicContact CD2-CB 3.91Å; L500-L510 HydrophobicContact CB-CD2 3.62Å; L500-L510 HydrophobicContact CB-CG 3.73Å; L500-L510 HydrophobicContact CD1-CD2 3.56Å; L500-L510 HydrophobicContact CD1-CG 4.46Å; L500-L510 HydrophobicContact CG-CD2 4.23Å; L500-M579 HydrophobicContact CB-CB 4.48Å; L500-M579 PolarHBondContact N-O 3.11Å; L500-M579 PolarHBondContact O-N 3.36Å
501T80.5Confident70.9Confident15 Ų1553.5 Ų53.59%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-92.1145.4-178.2-178.80000111.6D503 R506 D508 S509 L510T501-D503 VanDerWaalsContact C-N 3.25Å; T501-D503 WeakPolarHBondContact CG2-O 3.41Å; T501-D503 PolarHBondContact O-N 2.78Å; T501-D503 PolarHBondContact OG1-N 2.63Å; T501-R506 HydrophobicContact CG2-CB 4.2Å; T501-D508 WeakPolarHBondContact CG2-O 3.49Å; T501-D508 PolarHBondContact N-O 2.8Å; T501-S509 VanDerWaalsContact O-CA 3.3Å; T501-S509 WeakPolarHBondContact O-CA 3.5Å; T501-S509 PolarHBondContact O-OG 2.82Å; T501-L510 PolarHBondContact O-N 3.08Å
502S76.4Confident70.3Confident1 Ų158.2 Ų58.21%0.00729%0.293CS..SBendtrans-66.4-21.2171.352.70000113.8P514 L515 S576 F577S502-P514 WeakPolarHBondContact O-CA 3.39Å; S502-L515 PolarHBondContact O-N 2.78Å; S502-L515 VanDerWaalsContact O-N 3.11Å; S502-S576 WeakPolarHBondContact OG-CA 3.27Å; S502-F577 VanDerWaalsContact CB-CE1 3.49Å; S502-F577 WeakPolarHBondContact CB-O 3.42Å; S502-F577 PolarHBondContact N-O 3.08Å; S502-F577 PolarHBondContact OG-N 3.31Å; S502-F577 PolarHBondContact OG-O 2.87Å
503D69.7Low70Confident42 Ų4262 Ų6223%0.22530%0.3CS..SBendtrans-107.9114.5177.6-177.1-2.5000111.1T501 R505 R506T501-D503 VanDerWaalsContact C-N 3.25Å; T501-D503 WeakPolarHBondContact CG2-O 3.41Å; T501-D503 PolarHBondContact O-N 2.78Å; T501-D503 PolarHBondContact OG1-N 2.63Å; D503-R505 PolarHBondContact O-N 3.05Å; D503-R505 WeakPolarHBondContact OD1-CB 3.49Å; D503-R505 PolarHBondContact OD1-N 2.85Å; D503-R506 HydrophobicContact CB-CB 4.5Å; D503-R506 HydrophobicContact CB-CG 4.28Å; D503-R506 PolarHBondContact O-N 2.75Å
504P59.9Low69.6Low48 Ų4862.8 Ų62.831%0.31231%0.305SS..THydrogen-bonded Turntrans-63.3-13.4-179.326-34.3000114.9R506 P514P504-R506 VanDerWaalsContact C-N 3.34Å; P504-P514 HydrophobicContact CG-CG 4.42Å
505R62.3Low69.6Low189 Ų18963 Ų6371%0.71331%0.306SS*.THydrogen-bonded Turntrans-80.1-15.3174.8-58.4-179.9-171176.55.8113.3D503D503-R505 PolarHBondContact O-N 3.05Å; D503-R505 WeakPolarHBondContact OD1-CB 3.49Å; D503-R505 PolarHBondContact OD1-N 2.85Å
506R58.8Low69.4Low156 Ų15662.3 Ų62.359%0.58930%0.303SS*.SBendtrans-99.2-7.9-174.8-70.5-169.2178.2-160.70.7114.3T501 D503 P504T501-R506 HydrophobicContact CG2-CB 4.2Å; D503-R506 HydrophobicContact CB-CB 4.5Å; D503-R506 HydrophobicContact CB-CG 4.28Å; D503-R506 PolarHBondContact O-N 2.75Å; P504-R506 VanDerWaalsContact C-N 3.34Å
507G61.1Low69.5Low42 Ų4261.8 Ų61.843%0.43330%0.299SS..SBendtrans152.6-155.9178.700000113.2S509G507-S509 PolarHBondContact O-N 2.84Å; G507-S509 VanDerWaalsContact O-N 3.16Å
508D63.3Low69.5Low106 Ų10658.7 Ų58.757%0.56729%0.288SS*.SBendtrans-57.7116.2175.5-81.46.2000110.5R498 L500 T501R498-D508 IonicContact NH2-OD2 3.99Å; L500-D508 CarbonylContact C-O 3.59Å; L500-D508 WeakPolarHBondContact CA-O 3.23Å; L500-D508 HydrophobicContact CD2-CB 3.91Å; T501-D508 WeakPolarHBondContact CG2-O 3.49Å; T501-D508 PolarHBondContact N-O 2.8Å
509S65.4Low69.5Low35 Ų3555 Ų5525%0.24528%0.275CS..BIsolated β-bridgetrans-102.9148.9-172.4-160.60000113.7T501 G507 R511T501-S509 VanDerWaalsContact O-CA 3.3Å; T501-S509 WeakPolarHBondContact O-CA 3.5Å; T501-S509 PolarHBondContact O-OG 2.82Å; G507-S509 PolarHBondContact O-N 2.84Å; G507-S509 VanDerWaalsContact O-N 3.16Å; S509-R511 WeakPolarHBondContact CB-O 3.41Å; S509-R511 PolarHBondContact O-N 2.85Å; S509-R511 PolarHBondContact OG-O 3.46Å
510L65.4Low69.5Low42 Ų4254.1 Ų54.122%0.2227%0.269CS..SBendtrans-60.9-32.5172.6-72.8166.1000112.6L500 T501 F577 M579L500-L510 HydrophobicContact CB-CD2 3.62Å; L500-L510 HydrophobicContact CB-CG 3.73Å; L500-L510 HydrophobicContact CD1-CD2 3.56Å; L500-L510 HydrophobicContact CD1-CG 4.46Å; L500-L510 HydrophobicContact CG-CD2 4.23Å; T501-L510 PolarHBondContact O-N 3.08Å; L510-F577 HydrophobicContact CD1-CE2 3.62Å; L510-F577 HydrophobicContact CD1-CZ 3.87Å; L510-M579 HydrophobicContact CD1-CB 4.21Å; L510-M579 HydrophobicContact CD1-CE 4.06Å; L510-M579 HydrophobicContact CD2-CB 4.3Å; L510-M579 HydrophobicContact CD2-CE 3.62Å; L510-M579 HydrophobicContact CD2-SD 3.66Å
511R65Low69.8Low148 Ų14853.4 Ų53.456%0.55827%0.265SS*.SBendtrans-147.1161.3-177.7-71.4-65.4-178.6159.8-2.4110.1S509 R513S509-R511 WeakPolarHBondContact CB-O 3.41Å; S509-R511 PolarHBondContact O-N 2.85Å; S509-R511 PolarHBondContact OG-O 3.46Å; R511-R513 PolarHBondContact O-N 3.03Å
512P57.6Low70Confident118 Ų11855.9 Ų55.977%0.76628%0.276SS*.SBendtrans-62.7-10.3172-20.332.2000114.1
513R63.8Low70.3Confident107 Ų10757.1 Ų57.140%0.40428%0.282SS..SBendtrans-125.2145.6-177-62.3-179.7179.7-1773.4109.7V450 R511 L515V450-R513 HydrophobicContact CG1-CB 3.98Å; V450-R513 HydrophobicContact CG1-CG 3.92Å; R511-R513 PolarHBondContact O-N 3.03Å; R513-L515 PolarHBondContact O-N 2.88Å
514P66.6Low70.9Confident21 Ų2155.6 Ų55.614%0.13628%0.275CS..PPolyproline II helixtrans-62.4135.2177.3-4.612.7000111.1V450 L452 S453 S502 P504V450-P514 VanDerWaalsContact CB-CD 3.43Å; V450-P514 HydrophobicContact CB-CG 3.84Å; V450-P514 HydrophobicContact CG1-CG 4.17Å; V450-P514 HydrophobicContact CG2-CG 4.32Å; L452-P514 HydrophobicContact CD2-CB 3.86Å; L452-P514 HydrophobicContact CD2-CG 4.16Å; S453-P514 PolarHBondContact N-O 2.91Å; S453-P514 VanDerWaalsContact N-O 3.11Å; S502-P514 WeakPolarHBondContact O-CA 3.39Å; P504-P514 HydrophobicContact CG-CG 4.42Å
515L73.7Confident71.6Confident12 Ų1255.1 Ų55.16%0.06327%0.273CS..EExtended strand (participates in β ladder)trans-102.3127.9-175.9-160.491.9000110.2S453 C455 S502 R513 F577S453-L515 VanDerWaalsContact O-CA 3.3Å; S453-L515 WeakPolarHBondContact O-CA 3.45Å; C455-L515 HydrophobicContact CB-CD1 4.14Å; C455-L515 HydrophobicContact CB-CD2 3.69Å; C455-L515 HydrophobicContact CB-CG 4.05Å; S502-L515 PolarHBondContact O-N 2.78Å; S502-L515 VanDerWaalsContact O-N 3.11Å; R513-L515 PolarHBondContact O-N 2.88Å; L515-F577 HydrophobicContact CB-CE1 4.47Å; L515-F577 HydrophobicContact CB-CZ 4.46Å; L515-F577 HydrophobicContact CD2-CE1 4.11Å; L515-F577 HydrophobicContact CD2-CZ 3.61Å
516L75.5Confident71.8Confident1 Ų153 Ų531%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-96.7140165.7-63.4176.2000109.4V411 M415 L452 S453 V454 C455 R575V411-L516 HydrophobicContact CG1-CD1 3.79Å; M415-L516 HydrophobicContact CE-CD2 4.34Å; M415-L516 HydrophobicContact SD-CD2 4.47Å; L452-L516 HydrophobicContact CB-CD1 4.01Å; L452-L516 HydrophobicContact CB-CG 4.23Å; L452-L516 HydrophobicContact CD1-CD1 4.04Å; L452-L516 HydrophobicContact CD2-CG 4.3Å; L452-L516 HydrophobicContact CG-CD1 4.44Å; S453-L516 PolarHBondContact O-N 3.46Å; V454-L516 WeakPolarHBondContact CA-O 3.39Å; V454-L516 HydrophobicContact CG2-CB 4.1Å; V454-L516 HydrophobicContact CG2-CD1 4.28Å; C455-L516 PolarHBondContact N-O 2.68Å; L516-R575 HydrophobicContact CD2-CB 4.31Å; L516-R575 HydrophobicContact CD2-CG 4.25Å
517L78.7Confident72Confident2 Ų257.4 Ų57.41%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-111.1125.2177.5-163.963.5000110C455 M458 V461 L536 C573 V574 F577 L610C455-L517 HydrophobicContact CB-CD1 3.93Å; M458-L517 HydrophobicContact CE-CD2 4.21Å; M458-L517 HydrophobicContact SD-CD1 3.63Å; M458-L517 HydrophobicContact SD-CD2 4.09Å; M458-L517 HydrophobicContact SD-CG 4.16Å; V461-L517 HydrophobicContact CG2-CD1 4.48Å; L517-L536 HydrophobicContact CD2-CD2 3.41Å; L517-L536 VanDerWaalsContact CD2-CD2 3.41Å; L517-L536 HydrophobicContact CG-CD2 3.63Å; L517-C573 CarbonylContact O-C 3.54Å; L517-C573 WeakPolarHBondContact O-CA 3.41Å; L517-V574 HydrophobicContact CB-CB 4.26Å; L517-V574 PolarHBondContact N-O 3.37Å; L517-V574 PolarHBondContact O-N 2.89Å; L517-F577 HydrophobicContact CB-CD1 4.16Å; L517-F577 HydrophobicContact CB-CE1 3.83Å; L517-F577 HydrophobicContact CD2-CE1 4.47Å; L517-L610 HydrophobicContact CD2-CD1 3.25Å
518V78.6Confident72.1Confident9 Ų956.3 Ų56.36%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-120.2132.3178.5-176.10000109.2L388 V454 L571 V572 C573 L620L388-V518 HydrophobicContact CD2-CB 3.87Å; L388-V518 HydrophobicContact CD2-CG1 3.55Å; L388-V518 HydrophobicContact CD2-CG2 4.19Å; V454-V518 HydrophobicContact CG1-CB 4.49Å; V454-V518 HydrophobicContact CG1-CG2 3.93Å; V518-L571 HydrophobicContact CG1-CD1 4.03Å; V518-L571 HydrophobicContact CG1-CG 4.45Å; V518-V572 WeakPolarHBondContact CA-O 3.5Å; V518-C573 HydrophobicContact CG2-CB 4.14Å; V518-L620 HydrophobicContact CG1-CD1 3.79Å; V518-L620 HydrophobicContact CG2-CD1 4.45Å
519G77.9Confident72.1Confident2 Ų257.1 Ų57.12%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-174.6175.217800000112R537 V572G519-R537 WeakPolarHBondContact CA-O 3.47Å; G519-V572 PolarHBondContact N-O 3.04Å; G519-V572 VanDerWaalsContact N-O 3.08Å; G519-V572 WeakPolarHBondContact O-CG2 3.29Å; G519-V572 PolarHBondContact O-N 3.13Å
520V81.3Confident72.2Confident24 Ų2456.1 Ų56.115%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-90.5123.2175.9-174.50000108.9Q522 R537 S570 L571V520-Q522 HydrophobicContact CB-CG 4.38Å; V520-Q522 HydrophobicContact CG1-CG 3.81Å; V520-Q522 PolarHBondContact O-N 3.14Å; V520-R537 PolarHBondContact N-O 3.37Å; V520-R537 PolarHBondContact O-N 3.42Å; V520-S570 WeakPolarHBondContact CA-O 3.21Å; V520-L571 HydrophobicContact CG2-CD1 4.15Å
521L85Confident72.3Confident1 Ų155.4 Ų55.41%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-76.9121.5175.2-17267.7000109L534 F562 D567 G569 S570 V572 L617L521-L534 HydrophobicContact CD1-CB 4.07Å; L521-L534 HydrophobicContact CD1-CD1 4.35Å; L521-L534 HydrophobicContact CD2-CD1 4.44Å; L521-F562 HydrophobicContact CD2-CE1 4.5Å; L521-F562 HydrophobicContact CD2-CZ 3.93Å; L521-D567 HydrophobicContact CD2-CB 4.25Å; L521-G569 PolarHBondContact O-N 3.12Å; L521-S570 PolarHBondContact N-O 3.23Å; L521-S570 VanDerWaalsContact N-O 3.14Å; L521-V572 HydrophobicContact CB-CG1 4.43Å; L521-V572 HydrophobicContact CB-CG2 4.11Å; L521-L617 HydrophobicContact CD2-CD1 4.39Å
522Q84.2Confident72.7Confident68 Ų6849.7 Ų49.732%0.31824%0.242SC..EExtended strand (participates in β ladder)trans-133157.5-175-63.7-172.8-7.400111.7V520 E535V520-Q522 HydrophobicContact CB-CG 4.38Å; V520-Q522 HydrophobicContact CG1-CG 3.81Å; V520-Q522 PolarHBondContact O-N 3.14Å; Q522-E535 PolarHBondContact N-O 3.38Å; Q522-E535 PolarHBondContact O-N 2.54Å
523L83.1Confident73.9Confident26 Ų2644.4 Ų44.414%0.13621%0.208CC..PPolyproline II helixtrans-64.7151.1167.3-71.5176000110.5S525 L534 R746 W747 P749 L750L523-S525 PolarHBondContact O-N 2.94Å; L523-L534 HydrophobicContact CD2-CD2 4.01Å; L523-R746 HydrophobicContact CB-CB 4.42Å; L523-R746 HydrophobicContact CD1-CG 4.14Å; L523-R746 WeakPolarHBondContact CD2-O 3.26Å; L523-W747 HydrophobicContact CD1-CD2 4.29Å; L523-W747 HydrophobicContact CD1-CE3 3.9Å; L523-W747 HydrophobicContact CD1-CH2 4.02Å; L523-W747 HydrophobicContact CD1-CZ2 4.39Å; L523-W747 HydrophobicContact CD1-CZ3 3.77Å; L523-P749 HydrophobicContact CD2-CG 4.48Å; L523-L750 HydrophobicContact CD1-CD1 4.45Å; L523-L750 HydrophobicContact CD2-CD1 3.41Å; L523-L750 VanDerWaalsContact CD2-CD1 3.41Å; L523-L750 HydrophobicContact CD2-CG 3.72Å; L523-L750 HydrophobicContact CG-CD1 4.28Å
524P81.5Confident74.9Confident10 Ų1039.7 Ų39.77%0.06519%0.19CC..PPolyproline II helixtrans-58138.5-179.319.9-29.4000111.3T531 S533 R746 P749P524-T531 WeakPolarHBondContact CG-O 3.23Å; P524-S533 WeakPolarHBondContact CB-O 3.27Å; P524-S533 WeakPolarHBondContact CD-O 3Å; P524-S533 WeakPolarHBondContact CG-O 3.41Å; P524-R746 HydrophobicContact CG-CB 4.28Å; P524-P749 HydrophobicContact CG-CG 4.42Å
525S75.6Confident75.9Confident39 Ų3938.7 Ų38.727%0.27318%0.184SC..PPolyproline II helixtrans-80156.1173.766.90000111.1L523 R527 S528 E535L523-S525 PolarHBondContact O-N 2.94Å; S525-R527 PolarHBondContact O-N 3.33Å; S525-R527 VanDerWaalsContact O-N 3.13Å; S525-S528 WeakPolarHBondContact O-CB 3.35Å; S525-S528 PolarHBondContact O-N 2.78Å; S525-E535 PolarHBondContact N-OE1 2.87Å; S525-E535 PolarHBondContact OG-OE1 3.35Å
526E66.4Low76.4Confident145 Ų14538.1 Ų38.168%0.67818%0.181SC*.THydrogen-bonded Turntrans-59.4-25.7177.4-70.4177.9-167.600113.4S528 V743E526-S528 VanDerWaalsContact C-N 3.35Å; E526-V743 HydrophobicContact CG-CG1 4.39Å; E526-V743 VanDerWaalsContact OE1-CG1 3.25Å; E526-V743 WeakPolarHBondContact OE1-CG1 3.34Å; E526-V743 WeakPolarHBondContact OE1-CG2 3.11Å
527R62.5Low76.6Confident247 Ų24742.4 Ų42.493%0.93220%0.197SC*.THydrogen-bonded Turntrans-90.10.6179.8-62.7-175.6-179.3-178.1-0.4113.3S525S525-R527 PolarHBondContact O-N 3.33Å; S525-R527 VanDerWaalsContact O-N 3.13Å
528S63.7Low76.5Confident19 Ų1943.1 Ų43.113%0.13320%0.201CC..  trans-68.7135.4-178.8-1600000111.3S525 E526 F530 T531 E535S525-S528 WeakPolarHBondContact O-CB 3.35Å; S525-S528 PolarHBondContact O-N 2.78Å; E526-S528 VanDerWaalsContact C-N 3.35Å; S528-F530 PolarHBondContact O-N 3.29Å; S528-F530 PolarHBondContact OG-N 3.24Å; S528-T531 WeakPolarHBondContact O-CG2 3.34Å; S528-E535 WeakPolarHBondContact CB-OE1 3.3Å; S528-E535 PolarHBondContact OG-OE1 3.18Å
529E63Low75.8Confident123 Ų12345.3 Ų45.358%0.57522%0.22SC*.THydrogen-bonded Turntrans-63.6-29.9169.4-167.2-174.416800110.8R607E529-R607 IonicContact OE1-CZ 3.78Å; E529-R607 IonicContact OE1-NE 3.59Å; E529-R607 PolarHBondContact OE1-NE 3.13Å; E529-R607 IonicContact OE1-NH2 3.18Å; E529-R607 PolarHBondContact OE1-NH2 2.97Å
530F67Low75.4Confident15 Ų1547.3 Ų47.37%0.06623%0.232CC..THydrogen-bonded Turntrans-112.568.2-177.5-55.1-87.7000111.9S528 Q532 S533 S544 R607 Y609 P895S528-F530 PolarHBondContact O-N 3.29Å; S528-F530 PolarHBondContact OG-N 3.24Å; F530-Q532 PolarHBondContact O-N 3.13Å; F530-S533 WeakPolarHBondContact CB-OG 3.01Å; F530-S533 PolarHBondContact O-N 2.84Å; F530-S533 PolarHBondContact O-OG 3.03Å; F530-S544 WeakPolarHBondContact CB-OG 3.39Å; F530-S544 WeakPolarHBondContact CD2-OG 3.12Å; F530-R607 HydrophobicContact CZ-CB 4.01Å; F530-R607 HydrophobicContact CZ-CG 4.04Å; F530-Y609 HydrophobicContact CE1-CD1 4.44Å; F530-Y609 HydrophobicContact CZ-CD1 4.32Å; F530-P895 HydrophobicContact CD1-CB 3.93Å; F530-P895 HydrophobicContact CD1-CG 3.98Å; F530-P895 HydrophobicContact CE1-CB 4.03Å
531T68.4Low75Confident26 Ų2647.1 Ų47.116%0.1623%0.233CC..THydrogen-bonded Turntrans-56.9-11.4178.553.40000115.1P524 S528 L699P524-T531 WeakPolarHBondContact CG-O 3.23Å; S528-T531 WeakPolarHBondContact O-CG2 3.34Å; T531-L699 HydrophobicContact CG2-CD2 3.91Å; T531-L699 VanDerWaalsContact OG1-CD2 3.29Å; T531-L699 WeakPolarHBondContact OG1-CD2 3.5Å
532Q73.4Confident74.6Confident28 Ų2849.2 Ų49.213%0.13125%0.247CC..THydrogen-bonded Turntrans-99.4-2.7179.7-63.1-176.6-7.300114.4F530 V681 F748 P892F530-Q532 PolarHBondContact O-N 3.13Å; Q532-V681 HydrophobicContact CG-CB 4.11Å; Q532-V681 HydrophobicContact CG-CG2 3.81Å; Q532-F748 HydrophobicContact CB-CD1 3.82Å; Q532-F748 HydrophobicContact CB-CE1 3.93Å; Q532-F748 HydrophobicContact CG-CD1 4.01Å; Q532-F748 HydrophobicContact CG-CE1 4.03Å; Q532-P892 HydrophobicContact CG-CG 4.42Å
533S81.3Confident74.6Confident7 Ų746.1 Ų46.15%0.04923%0.233CC..SBendtrans-121.2156-173.465.70000111.9P524 F530 S544P524-S533 WeakPolarHBondContact CB-O 3.27Å; P524-S533 WeakPolarHBondContact CD-O 3Å; P524-S533 WeakPolarHBondContact CG-O 3.41Å; F530-S533 WeakPolarHBondContact CB-OG 3.01Å; F530-S533 PolarHBondContact O-N 2.84Å; F530-S533 PolarHBondContact O-OG 3.03Å; S533-S544 WeakPolarHBondContact OG-CB 3.39Å
534L86.4Confident74.8Confident8 Ų845.4 Ų45.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-71153.7172.8-66.4168.4000109.9L521 L523 S544 C545 V547 F562 P749 L750L521-L534 HydrophobicContact CD1-CB 4.07Å; L521-L534 HydrophobicContact CD1-CD1 4.35Å; L521-L534 HydrophobicContact CD2-CD1 4.44Å; L523-L534 HydrophobicContact CD2-CD2 4.01Å; L534-S544 CarbonylContact O-C 3.41Å; L534-S544 WeakPolarHBondContact O-CA 3.4Å; L534-C545 PolarHBondContact N-O 3.25Å; L534-C545 PolarHBondContact O-N 3.05Å; L534-V547 HydrophobicContact CD1-CG2 4.18Å; L534-F562 HydrophobicContact CD1-CD1 3.47Å; L534-F562 VanDerWaalsContact CD1-CD1 3.47Å; L534-F562 HydrophobicContact CD1-CE1 3.31Å; L534-F562 HydrophobicContact CD1-CG 4.47Å; L534-F562 HydrophobicContact CD1-CZ 4.22Å; L534-P749 HydrophobicContact CD2-CB 4.37Å; L534-P749 HydrophobicContact CD2-CG 4.12Å; L534-P749 HydrophobicContact CG-CB 4.24Å; L534-P749 HydrophobicContact CG-CG 4.45Å; L534-L750 HydrophobicContact CD2-CD2 4.11Å
535E86.1Confident75.1Confident1 Ų145 Ų451%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-111.5135.6174.2-73.6179.3-149.600109.6Q522 S525 S528 R537 S542Q522-E535 PolarHBondContact N-O 3.38Å; Q522-E535 PolarHBondContact O-N 2.54Å; S525-E535 PolarHBondContact N-OE1 2.87Å; S525-E535 PolarHBondContact OG-OE1 3.35Å; S528-E535 WeakPolarHBondContact CB-OE1 3.3Å; S528-E535 PolarHBondContact OG-OE1 3.18Å; E535-R537 IonicContact OE2-NH2 2.78Å; E535-R537 PolarHBondContact OE2-NH2 3.24Å; E535-S542 WeakPolarHBondContact OE2-CB 3.5Å; E535-S542 PolarHBondContact OE2-OG 2.97Å
536L85.6Confident75.6Confident0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-96.9124.3161.1-169.871.9000107.4M458 L517 S542 V543 C545 V572 V574M458-L536 HydrophobicContact CE-CB 3.64Å; M458-L536 HydrophobicContact CE-CD2 3.79Å; M458-L536 HydrophobicContact CE-CG 3.83Å; M458-L536 WeakPolarHBondContact CE-O 3.27Å; L517-L536 HydrophobicContact CD2-CD2 3.41Å; L517-L536 VanDerWaalsContact CD2-CD2 3.41Å; L517-L536 HydrophobicContact CG-CD2 3.63Å; L536-S542 WeakPolarHBondContact O-CA 3.35Å; L536-V543 PolarHBondContact N-O 3.44Å; L536-V543 PolarHBondContact O-N 3.21Å; L536-C545 VanDerWaalsContact CB-SG 3.58Å; L536-V572 HydrophobicContact CD1-CG2 3.51Å; L536-V574 HydrophobicContact CD2-CG2 4.42Å
537R80Confident76.5Confident91 Ų9137.8 Ų37.834%0.34319%0.191SC..EExtended strand (participates in β ladder)trans-124.4138.5-173.1-179.4177-71.9-137.2-2.6111.6G519 V520 E535 A541G519-R537 WeakPolarHBondContact CA-O 3.47Å; V520-R537 PolarHBondContact N-O 3.37Å; V520-R537 PolarHBondContact O-N 3.42Å; E535-R537 IonicContact OE2-NH2 2.78Å; E535-R537 PolarHBondContact OE2-NH2 3.24Å; R537-A541 WeakPolarHBondContact CA-O 3.37Å
538D75.4Confident77.3Confident17 Ų1726.2 Ų26.29%0.09115%0.148CC..  trans-120.6-171.1163.369.411.3000110.1Q457 M458 T540 A541Q457-D538 WeakPolarHBondContact CA-OD2 3.22Å; M458-D538 WeakPolarHBondContact CB-OD2 3.3Å; M458-D538 HydrophobicContact CG-CB 4.3Å; M458-D538 VanDerWaalsContact CG-OD2 3.3Å; M458-D538 WeakPolarHBondContact CG-OD2 3.42Å; M458-D538 PolarHBondContact N-OD2 3.4Å; D538-T540 VanDerWaalsContact CG-OG1 3.24Å; D538-T540 PolarHBondContact O-N 3.21Å; D538-T540 WeakPolarHBondContact OD1-CA 3.28Å; D538-T540 WeakPolarHBondContact OD1-CB 3.34Å; D538-T540 PolarHBondContact OD1-N 3.24Å; D538-T540 PolarHBondContact OD1-OG1 3.47Å; D538-T540 PolarHBondContact OD2-OG1 2.95Å; D538-T540 VanDerWaalsContact OD2-OG1 3.11Å; D538-A541 PolarHBondContact N-O 2.92Å; D538-A541 PolarHBondContact OD1-N 3.36Å
539A65.1Low77.7Confident55 Ų5527.1 Ų27.146%0.45515%0.15SC..SBendtrans-73.6-6.1177.500000114.2S391S391-A539 WeakPolarHBondContact O-CB 3.27Å; S391-A539 PolarHBondContact O-N 3.25Å
540T68.4Low77.4Confident43 Ų4323.7 Ų23.726%0.26414%0.138SC..SBendtrans-96.7-51.5180680000111.6Q457 M458 D459 D538Q457-T540 HydrophobicContact CB-CG2 3.84Å; Q457-T540 HydrophobicContact CG-CG2 3.65Å; M458-T540 PolarHBondContact N-OG1 3.26Å; M458-T540 VanDerWaalsContact N-OG1 3.08Å; D459-T540 PolarHBondContact N-OG1 2.86Å; D459-T540 WeakPolarHBondContact OD2-CB 3.22Å; D538-T540 VanDerWaalsContact CG-OG1 3.24Å; D538-T540 PolarHBondContact O-N 3.21Å; D538-T540 WeakPolarHBondContact OD1-CA 3.28Å; D538-T540 WeakPolarHBondContact OD1-CB 3.34Å; D538-T540 PolarHBondContact OD1-N 3.24Å; D538-T540 PolarHBondContact OD1-OG1 3.47Å; D538-T540 PolarHBondContact OD2-OG1 2.95Å; D538-T540 VanDerWaalsContact OD2-OG1 3.11Å
541A72.3Confident76.6Confident21 Ų2126 Ų2617%0.17415%0.153CC..  trans-154.4174.3-177.400000113.1M458 D459 R537 D538M458-A541 HydrophobicContact CB-CB 3.92Å; D459-A541 VanDerWaalsContact OD1-CB 3.27Å; D459-A541 WeakPolarHBondContact OD1-CB 3.28Å; R537-A541 WeakPolarHBondContact CA-O 3.37Å; D538-A541 PolarHBondContact N-O 2.92Å; D538-A541 PolarHBondContact OD1-N 3.36Å
542S78.2Confident75.3Confident44 Ų4431.7 Ų31.731%0.30818%0.178SC..EExtended strand (participates in β ladder)trans-117.8144.6164630000111E535 L536E535-S542 WeakPolarHBondContact OE2-CB 3.5Å; E535-S542 PolarHBondContact OE2-OG 2.97Å; L536-S542 WeakPolarHBondContact O-CA 3.35Å
543V84Confident73.6Confident4 Ų437 Ų372%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-127.4132.7175.9-174.80000109.1M458 S462 L536 C545 L610M458-V543 HydrophobicContact CB-CG2 4.22Å; M458-V543 HydrophobicContact CE-CB 3.53Å; M458-V543 HydrophobicContact CE-CG2 3.57Å; M458-V543 HydrophobicContact SD-CB 4.4Å; M458-V543 HydrophobicContact SD-CG2 3.84Å; S462-V543 WeakPolarHBondContact OG-CG2 3.32Å; L536-V543 PolarHBondContact N-O 3.44Å; L536-V543 PolarHBondContact O-N 3.21Å; V543-C545 PolarHBondContact O-SG 3.09Å; V543-L610 HydrophobicContact CB-CD1 4.41Å; V543-L610 HydrophobicContact CG1-CD1 4.08Å; V543-L610 HydrophobicContact CG1-CG 3.79Å
544S86.4Confident71.4Confident11 Ų1146.7 Ų46.78%0.07725%0.247CC..EExtended strand (participates in β ladder)trans-68.5139.5177.8-63.10000111.8F530 S533 L534 Y609 L610F530-S544 WeakPolarHBondContact CB-OG 3.39Å; F530-S544 WeakPolarHBondContact CD2-OG 3.12Å; S533-S544 WeakPolarHBondContact OG-CB 3.39Å; L534-S544 CarbonylContact O-C 3.41Å; L534-S544 WeakPolarHBondContact O-CA 3.4Å; S544-Y609 CarbonylContact O-C 3.6Å; S544-Y609 WeakPolarHBondContact O-CA 3.49Å; S544-Y609 WeakPolarHBondContact O-CB 3.37Å; S544-L610 PolarHBondContact O-N 2.85Å
545C87.8Confident68.7Low2 Ų253.8 Ų53.81%0.01429%0.285CS..EExtended strand (participates in β ladder)trans-131.3131.4-171-62.60000110.4L534 L536 V543 V547 L610 F612L534-C545 PolarHBondContact N-O 3.25Å; L534-C545 PolarHBondContact O-N 3.05Å; L536-C545 VanDerWaalsContact CB-SG 3.58Å; V543-C545 PolarHBondContact O-SG 3.09Å; C545-V547 HydrophobicContact CB-CG2 4.26Å; C545-L610 CarbonylContact C-O 3.53Å; C545-L610 WeakPolarHBondContact CA-O 3.35Å; C545-F612 HydrophobicContact CB-CE1 3.79Å; C545-F612 HydrophobicContact CB-CZ 4.1Å
546I86.6Confident66.1Low18 Ų1857.5 Ų57.59%0.09232%0.323CS..EExtended strand (participates in β ladder)trans-102.1117.9168.1-54.3-178.7000107.1Y609 L610 Q611 F612 P895 G896 V930I546-Y609 HydrophobicContact CD1-CD2 3.83Å; I546-Y609 HydrophobicContact CD1-CE2 3.52Å; I546-Y609 HydrophobicContact CG1-CD2 4.12Å; I546-Y609 HydrophobicContact CG1-CE2 4.3Å; I546-L610 PolarHBondContact N-O 3.34Å; I546-Q611 HydrophobicContact CB-CG 4.13Å; I546-Q611 HydrophobicContact CD1-CG 4.23Å; I546-Q611 WeakPolarHBondContact O-CA 3.3Å; I546-F612 PolarHBondContact O-N 3.22Å; I546-F612 VanDerWaalsContact O-N 3.13Å; I546-P895 HydrophobicContact CD1-CB 3.89Å; I546-P895 HydrophobicContact CD1-CG 4.13Å; I546-P895 WeakPolarHBondContact CD1-O 3.44Å; I546-P895 HydrophobicContact CG1-CB 4.49Å; I546-P895 HydrophobicContact CG1-CG 4.36Å; I546-G896 VanDerWaalsContact CD1-N 3.31Å; I546-V930 HydrophobicContact CG2-CB 4.18Å; I546-V930 HydrophobicContact CG2-CG1 4.36Å; I546-V930 HydrophobicContact CG2-CG2 4.44Å
547V84.6Confident63.9Low14 Ų1459.1 Ų59.19%0.08534%0.34CS..EExtended strand (participates in β ladder)trans-116.3126-174.3-170.70000108.8L534 C545 F562 F612 L614L534-V547 HydrophobicContact CD1-CG2 4.18Å; C545-V547 HydrophobicContact CB-CG2 4.26Å; V547-F562 HydrophobicContact CB-CB 4.43Å; V547-F562 HydrophobicContact CG1-CB 4.34Å; V547-F562 HydrophobicContact CG1-CD2 4.4Å; V547-F562 HydrophobicContact CG1-CG 4.41Å; V547-F612 WeakPolarHBondContact CA-O 3.48Å; V547-F612 HydrophobicContact CB-CE2 4.36Å; V547-F612 HydrophobicContact CG1-CD2 4.28Å; V547-F612 HydrophobicContact CG1-CE2 3.95Å; V547-F612 HydrophobicContact CG2-CD2 4.35Å; V547-F612 HydrophobicContact CG2-CE1 4.34Å; V547-F612 HydrophobicContact CG2-CE2 3.61Å; V547-F612 HydrophobicContact CG2-CZ 3.61Å; V547-L614 HydrophobicContact CG1-CD2 3.47Å; V547-L614 VanDerWaalsContact CG1-CD2 3.47Å; V547-L614 HydrophobicContact CG1-CG 3.78Å
548T80.4Confident62Low3 Ų359 Ų592%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-115.7155.217659.50000110.3F612 S613 L614 V930 L933T548-F612 PolarHBondContact N-O 3.26Å; T548-S613 CarbonylContact O-C 3.58Å; T548-S613 VanDerWaalsContact O-CA 3.27Å; T548-S613 WeakPolarHBondContact O-CA 3.34Å; T548-S613 PolarHBondContact O-OG 2.76Å; T548-L614 PolarHBondContact O-N 3.39Å; T548-V930 HydrophobicContact CG2-CG1 4.25Å; T548-L933 HydrophobicContact CG2-CD2 4.12Å; T548-L933 HydrophobicContact CG2-CG 3.98Å
549E70.6Confident60.7Low38 Ų3862.9 Ų62.918%0.17836%0.357CS..  trans-111.8137.7173.3-175.7173.4-158.600109.4T551 S560 L614E549-T551 WeakPolarHBondContact CG-OG1 3.34Å; E549-T551 PolarHBondContact OE1-OG1 3.15Å; E549-S560 WeakPolarHBondContact CB-O 3.31Å; E549-S560 WeakPolarHBondContact OE2-CB 3.05Å; E549-S560 PolarHBondContact OE2-OG 3.02Å; E549-L614 HydrophobicContact CB-CD1 3.67Å; E549-L614 HydrophobicContact CB-CG 4.47Å; E549-L614 HydrophobicContact CG-CD1 3.82Å
550T58.2Low59.7Low52 Ų5262 Ų6232%0.31935%0.347SS..  trans-112.2-0.8-171.727.20000113.5E552 S613 D615T550-E552 PolarHBondContact O-N 2.83Å; T550-S613 PolarHBondContact OG1-OG 2.89Å; T550-D615 WeakPolarHBondContact CB-OD2 3.46Å; T550-D615 PolarHBondContact OG1-OD1 2.86Å; T550-D615 PolarHBondContact OG1-OD2 3.4Å
551T48.7Very low58.8Low63 Ų6361 Ų6139%0.38734%0.341SS..  trans-67.5117.1-179.146.20000110.5E549E549-T551 WeakPolarHBondContact CG-OG1 3.34Å; E549-T551 PolarHBondContact OE1-OG1 3.15Å
552E42.4Very low57.9Low146 Ų14660.3 Ų60.368%0.68233%0.334SS*.  trans-76.9113.7164.5-65.2179.3170.700106.1T550 E554T550-E552 PolarHBondContact O-N 2.83Å; E552-E554 PolarHBondContact O-N 3.33Å
553E38.2Very low56.9Low139 Ų13959.5 Ų59.565%0.6533%0.327SS*.  trans-64.4134.5167.7-69.3-171.2156.400107.9D555 G556E553-D555 PolarHBondContact O-N 2.84Å; E553-G556 PolarHBondContact O-N 3.12Å; E553-G556 VanDerWaalsContact O-N 3.16Å
554E33.8Very low55.9Low210 Ų21060.3 Ų60.398%0.98133%0.331SS*.THydrogen-bonded Turntrans-56.5-6.7-174.9-68.8-177.5148.700114.3E552E552-E554 PolarHBondContact O-N 3.33Å
555D30.8Very low54.7Low158 Ų15860.3 Ų60.385%0.84533%0.331SS*.THydrogen-bonded Turntrans-102.816.9-178.4-1285.1000114.4E553 G557E553-D555 PolarHBondContact O-N 2.84Å; D555-G557 VanDerWaalsContact C-N 3.25Å; D555-G557 PolarHBondContact O-N 2.89Å
556G31.8Very low53.1Low78 Ų7860.2 Ų60.280%0.80433%0.331SS*.SBendtrans73.513.2176.100000114.8E553E553-G556 PolarHBondContact O-N 3.12Å; E553-G556 VanDerWaalsContact O-N 3.16Å
557G37.5Very low51.7Low34 Ų3460 Ų6035%0.35133%0.33SS..  trans-71.4139.9171.700000112.5D555D555-G557 VanDerWaalsContact C-N 3.25Å; D555-G557 PolarHBondContact O-N 2.89Å
558Q41.8Very low50.9Low90 Ų9061.1 Ų61.142%0.42134%0.338SS..  trans-62.8152.4-177.1-102.7-176.4-13.100113.9S560Q558-S560 PolarHBondContact O-N 2.86Å; Q558-S560 VanDerWaalsContact O-N 3.15Å
559R48.2Very low50.3Low97 Ų9763 Ų6337%0.36636%0.358SS..  trans-44.8110.3174-65.9173.3-179.5169.2-2112.1
560S43.1Very low50.4Low36 Ų3661.1 Ų61.125%0.25235%0.349SS..  trans-61.3151175.4167.30000111.2E549 Q558E549-S560 WeakPolarHBondContact CB-O 3.31Å; E549-S560 WeakPolarHBondContact OE2-CB 3.05Å; E549-S560 PolarHBondContact OE2-OG 3.02Å; Q558-S560 PolarHBondContact O-N 2.86Å; Q558-S560 VanDerWaalsContact O-N 3.15Å
561V50.3Low51.4Low24 Ų2459.2 Ų59.215%0.14534%0.337CS..BIsolated β-bridgetrans-102.3145.1168.7175.20000106.3N563 Q752 T929 T931V561-N563 PolarHBondContact O-N 3.13Å; V561-Q752 HydrophobicContact CB-CG 4.04Å; V561-Q752 HydrophobicContact CG1-CG 4.12Å; V561-T929 HydrophobicContact CB-CG2 4.27Å; V561-T929 HydrophobicContact CG1-CG2 3.78Å; V561-T929 HydrophobicContact CG2-CG2 3.65Å; V561-T931 HydrophobicContact CG2-CG2 4.13Å
562F53.2Low52.9Low5 Ų556.2 Ų56.22%0.02232%0.318CS..  trans-46.8115.4-179.5-178.6-103.8000112.4L521 L534 V547 T564 D567 L614 L750L521-F562 HydrophobicContact CD2-CE1 4.5Å; L521-F562 HydrophobicContact CD2-CZ 3.93Å; L534-F562 HydrophobicContact CD1-CD1 3.47Å; L534-F562 VanDerWaalsContact CD1-CD1 3.47Å; L534-F562 HydrophobicContact CD1-CE1 3.31Å; L534-F562 HydrophobicContact CD1-CG 4.47Å; L534-F562 HydrophobicContact CD1-CZ 4.22Å; V547-F562 HydrophobicContact CB-CB 4.43Å; V547-F562 HydrophobicContact CG1-CB 4.34Å; V547-F562 HydrophobicContact CG1-CD2 4.4Å; V547-F562 HydrophobicContact CG1-CG 4.41Å; F562-T564 WeakPolarHBondContact CZ-O 3.4Å; F562-D567 HydrophobicContact CE2-CB 4.14Å; F562-D567 WeakPolarHBondContact CE2-OD2 3.42Å; F562-D567 HydrophobicContact CZ-CB 3.8Å; F562-L614 HydrophobicContact CB-CD1 4.42Å; F562-L614 HydrophobicContact CD2-CD1 3.52Å; F562-L614 HydrophobicContact CD2-CD2 3.44Å; F562-L614 VanDerWaalsContact CD2-CD2 3.44Å; F562-L614 HydrophobicContact CD2-CG 3.93Å; F562-L614 HydrophobicContact CE2-CD1 4.27Å; F562-L614 HydrophobicContact CE2-CD2 3.58Å; F562-L614 HydrophobicContact CG-CD1 4.45Å; F562-L614 HydrophobicContact CG-CD2 4.48Å; F562-L750 HydrophobicContact CD1-CD2 3.68Å; F562-L750 HydrophobicContact CE1-CD2 3.35Å; F562-L750 HydrophobicContact CZ-CD2 4.47Å
563N57.3Low54.8Low28 Ų2849.5 Ų49.515%0.1529%0.287CS..  trans-1273.5-174.764.9-1.2000112.8V561 T565 Q752 S755 T799V561-N563 PolarHBondContact O-N 3.13Å; N563-T565 PolarHBondContact O-N 3.02Å; N563-Q752 HydrophobicContact CB-CB 4.27Å; N563-Q752 HydrophobicContact CB-CG 3.99Å; N563-S755 PolarHBondContact ND2-OG 2.92Å; N563-S755 VanDerWaalsContact ND2-OG 3.11Å; N563-T799 WeakPolarHBondContact O-CG2 3.35Å; N563-T799 PolarHBondContact O-OG1 3Å
564T62.8Low56.9Low20 Ų2042.9 Ų42.912%0.12326%0.256CS..  trans-91.8107.1-170.2-64.80000111.2F562 A566F562-T564 WeakPolarHBondContact CZ-O 3.4Å; T564-A566 HydrophobicContact CG2-CB 3.55Å; T564-A566 PolarHBondContact O-N 2.85Å
565T59.9Low59Low11 Ų1138 Ų387%0.06723%0.229CC..G310 helixtrans-72.6-14.317667.70000112.5N563 D567 S568 W747 L750 F797 H798 T799N563-T565 PolarHBondContact O-N 3.02Å; T565-D567 VanDerWaalsContact C-N 3.3Å; T565-D567 PolarHBondContact O-N 3.28Å; T565-S568 WeakPolarHBondContact O-CB 3.34Å; T565-S568 PolarHBondContact O-N 2.92Å; T565-W747 HydrophobicContact CG2-CZ3 4.29Å; T565-L750 HydrophobicContact CG2-CB 4.22Å; T565-L750 HydrophobicContact CG2-CD1 3.61Å; T565-L750 HydrophobicContact CG2-CG 4.47Å; T565-F797 WeakPolarHBondContact CB-O 3.47Å; T565-F797 VanDerWaalsContact CG2-O 3.31Å; T565-F797 WeakPolarHBondContact CG2-O 3.11Å; T565-F797 PolarHBondContact OG1-O 2.87Å; T565-H798 WeakPolarHBondContact OG1-CA 3.25Å; T565-T799 VanDerWaalsContact CG2-OG1 3.3Å; T565-T799 WeakPolarHBondContact CG2-OG1 3.43Å; T565-T799 PolarHBondContact N-OG1 2.82Å; T565-T799 PolarHBondContact OG1-N 2.8Å; T565-T799 PolarHBondContact OG1-OG1 2.8Å
566A55.8Low61.4Low1 Ų131.3 Ų31.31%0.00819%0.194CC..G310 helixtrans-63.2-35.5178.100000112.7T564 S568 S623 M626 H629 N720T564-A566 HydrophobicContact CG2-CB 3.55Å; T564-A566 PolarHBondContact O-N 2.85Å; A566-S568 VanDerWaalsContact C-N 3.27Å; A566-S568 PolarHBondContact O-N 2.96Å; A566-S623 PolarHBondContact O-OG 2.54Å; A566-M626 HydrophobicContact CB-CB 4.2Å; A566-M626 HydrophobicContact CB-SD 3.79Å; A566-M626 WeakPolarHBondContact O-CB 3.25Å; A566-H629 HydrophobicContact CB-CB 4.47Å; A566-N720 WeakPolarHBondContact CA-ND2 3.42Å; A566-N720 WeakPolarHBondContact CB-ND2 3.4Å
567D56.8Low63.9Low13 Ų1327.6 Ų27.67%0.0716%0.156CC..G310 helixtrans-74.8-19.4-177.1-67.2-26.4000112.6L521 F562 T565 G569 S570 I619 M626L521-D567 HydrophobicContact CD2-CB 4.25Å; F562-D567 HydrophobicContact CE2-CB 4.14Å; F562-D567 WeakPolarHBondContact CE2-OD2 3.42Å; F562-D567 HydrophobicContact CZ-CB 3.8Å; T565-D567 VanDerWaalsContact C-N 3.3Å; T565-D567 PolarHBondContact O-N 3.28Å; D567-G569 PolarHBondContact O-N 2.79Å; D567-S570 VanDerWaalsContact O-CB 3.23Å; D567-S570 WeakPolarHBondContact O-CB 3.19Å; D567-S570 PolarHBondContact O-N 3.48Å; D567-S570 PolarHBondContact O-OG 2.97Å; D567-I619 WeakPolarHBondContact OD1-CD1 3.3Å; D567-M626 WeakPolarHBondContact OD1-CE 3.38Å
568S67.3Low66.2Low38 Ų3828 Ų2827%0.26615%0.152SC..THydrogen-bonded Turntrans-62.7125.3173.21790000110.7T565 A566 S570T565-S568 WeakPolarHBondContact O-CB 3.34Å; T565-S568 PolarHBondContact O-N 2.92Å; A566-S568 VanDerWaalsContact C-N 3.27Å; A566-S568 PolarHBondContact O-N 2.96Å; S568-S570 VanDerWaalsContact C-N 3.34Å
569G67.2Low68.3Low41 Ų4123.9 Ų23.942%0.42313%0.132SC..THydrogen-bonded Turntrans83.65.5-175.500000114.3L521 D567L521-G569 PolarHBondContact O-N 3.12Å; D567-G569 PolarHBondContact O-N 2.79Å
570S74.1Confident70Confident0 Ų019.2 Ų19.20%012%0.115CC..  trans-84.7144.5173.8-58.60000111V520 L521 D567 S568 S623V520-S570 WeakPolarHBondContact CA-O 3.21Å; L521-S570 PolarHBondContact N-O 3.23Å; L521-S570 VanDerWaalsContact N-O 3.14Å; D567-S570 VanDerWaalsContact O-CB 3.23Å; D567-S570 WeakPolarHBondContact O-CB 3.19Å; D567-S570 PolarHBondContact O-N 3.48Å; D567-S570 PolarHBondContact O-OG 2.97Å; S568-S570 VanDerWaalsContact C-N 3.34Å; S570-S623 WeakPolarHBondContact OG-CB 3.32Å; S570-S623 PolarHBondContact OG-N 3.23Å
571L78.4Confident71.9Confident12 Ų1217.6 Ų17.66%0.06310%0.103CC..EExtended strand (participates in β ladder)trans-79.8117.5169.1-178.168.8000108.2V518 V520 L620 S621V518-L571 HydrophobicContact CG1-CD1 4.03Å; V518-L571 HydrophobicContact CG1-CG 4.45Å; V520-L571 HydrophobicContact CG2-CD1 4.15Å; L571-L620 HydrophobicContact CD2-CB 4.18Å; L571-L620 HydrophobicContact CD2-CD1 4.37Å; L571-L620 HydrophobicContact CG-CB 4.2Å; L571-L620 HydrophobicContact CG-CD1 4.36Å; L571-L620 WeakPolarHBondContact O-CB 3.21Å; L571-L620 PolarHBondContact O-N 2.91Å; L571-S621 PolarHBondContact N-O 2.96Å; L571-S621 PolarHBondContact O-N 3.21Å
572V80.7Confident73.4Confident0 Ų016.4 Ų16.40%010%0.096CC..EExtended strand (participates in β ladder)trans-122149-172.6-57.80000111.5V518 G519 L521 L536 L617 V618 I619V518-V572 WeakPolarHBondContact CA-O 3.5Å; G519-V572 PolarHBondContact N-O 3.04Å; G519-V572 VanDerWaalsContact N-O 3.08Å; G519-V572 WeakPolarHBondContact O-CG2 3.29Å; G519-V572 PolarHBondContact O-N 3.13Å; L521-V572 HydrophobicContact CB-CG1 4.43Å; L521-V572 HydrophobicContact CB-CG2 4.11Å; L536-V572 HydrophobicContact CD1-CG2 3.51Å; V572-L617 HydrophobicContact CB-CD1 4.25Å; V572-L617 HydrophobicContact CB-CD2 3.83Å; V572-L617 HydrophobicContact CB-CG 3.94Å; V572-L617 HydrophobicContact CG1-CD1 4.24Å; V572-L617 HydrophobicContact CG1-CD2 3.63Å; V572-L617 HydrophobicContact CG1-CG 4.16Å; V572-L617 HydrophobicContact CG2-CD1 4.33Å; V572-L617 HydrophobicContact CG2-CG 4.44Å; V572-V618 CarbonylContact C-O 3.58Å; V572-V618 WeakPolarHBondContact CA-O 3.44Å; V572-I619 HydrophobicContact CG1-CG1 4.46Å
573C81.8Confident74.6Confident4 Ų417.1 Ų17.13%0.02710%0.099CC..EExtended strand (participates in β ladder)trans-114.7122170.4-178.90000109V411 L517 V518 V618 L620V411-C573 HydrophobicContact CG2-CB 4.26Å; L517-C573 CarbonylContact O-C 3.54Å; L517-C573 WeakPolarHBondContact O-CA 3.41Å; V518-C573 HydrophobicContact CG2-CB 4.14Å; C573-V618 HydrophobicContact CB-CB 4.32Å; C573-V618 PolarHBondContact N-O 2.76Å; C573-V618 PolarHBondContact O-N 3.02Å; C573-L620 HydrophobicContact CB-CD1 3.94Å; C573-L620 HydrophobicContact CB-CD2 3.84Å; C573-L620 HydrophobicContact CB-CG 3.89Å
574V82.9Confident75.6Confident0 Ų016.5 Ų16.50%010%0.095CC..EExtended strand (participates in β ladder)trans-98.2115177-1710000108.8L517 L536 F577 F612 H616L517-V574 HydrophobicContact CB-CB 4.26Å; L517-V574 PolarHBondContact N-O 3.37Å; L517-V574 PolarHBondContact O-N 2.89Å; L536-V574 HydrophobicContact CD2-CG2 4.42Å; V574-F577 HydrophobicContact CG1-CB 3.95Å; V574-F577 HydrophobicContact CG1-CD1 4.34Å; V574-F612 HydrophobicContact CG1-CB 3.97Å; V574-F612 HydrophobicContact CG1-CD1 3.99Å; V574-F612 HydrophobicContact CG1-CD2 3.94Å; V574-F612 HydrophobicContact CG1-CE1 4.45Å; V574-F612 HydrophobicContact CG1-CE2 4.42Å; V574-F612 HydrophobicContact CG1-CG 3.7Å; V574-F612 HydrophobicContact CG2-CD2 4.48Å; V574-F612 HydrophobicContact CG2-CE1 4.25Å; V574-F612 HydrophobicContact CG2-CE2 4.15Å; V574-F612 HydrophobicContact CG2-CZ 4.01Å; V574-H616 WeakPolarHBondContact CA-O 3.12Å
575R77.4Confident76.1Confident109 Ų10916.5 Ų16.541%0.4119%0.094SC..SBendtrans-76.2-39.5-176.5-177.3175.369.6179.8-3.4113.4M415 L516 H616M415-R575 HydrophobicContact CE-CG 3.85Å; M415-R575 WeakPolarHBondContact SD-CD 3.42Å; M415-R575 HydrophobicContact SD-CG 3.71Å; L516-R575 HydrophobicContact CD2-CB 4.31Å; L516-R575 HydrophobicContact CD2-CG 4.25Å; R575-H616 WeakPolarHBondContact CB-O 3.47Å; R575-H616 PolarHBondContact N-O 3.31Å
576S80.8Confident76.9Confident16 Ų1619.2 Ų19.211%0.11211%0.106CC..SBendtrans-142.8115.6-176.3170.20000109.1S502 F612 H616S502-S576 WeakPolarHBondContact OG-CA 3.27Å; S576-F612 WeakPolarHBondContact O-CB 3.43Å; S576-H616 PolarHBondContact O-CD2 2.79Å
577F84.9Confident77.8Confident1 Ų119.5 Ų19.50%0.00411%0.108CC..  trans-135.3161.8175.167.8-88.8000111.3S502 L510 L515 L517 V574 L610 F612S502-F577 VanDerWaalsContact CB-CE1 3.49Å; S502-F577 WeakPolarHBondContact CB-O 3.42Å; S502-F577 PolarHBondContact N-O 3.08Å; S502-F577 PolarHBondContact OG-N 3.31Å; S502-F577 PolarHBondContact OG-O 2.87Å; L510-F577 HydrophobicContact CD1-CE2 3.62Å; L510-F577 HydrophobicContact CD1-CZ 3.87Å; L515-F577 HydrophobicContact CB-CE1 4.47Å; L515-F577 HydrophobicContact CB-CZ 4.46Å; L515-F577 HydrophobicContact CD2-CE1 4.11Å; L515-F577 HydrophobicContact CD2-CZ 3.61Å; L517-F577 HydrophobicContact CB-CD1 4.16Å; L517-F577 HydrophobicContact CB-CE1 3.83Å; L517-F577 HydrophobicContact CD2-CE1 4.47Å; V574-F577 HydrophobicContact CG1-CB 3.95Å; V574-F577 HydrophobicContact CG1-CD1 4.34Å; F577-L610 HydrophobicContact CD2-CD2 3.8Å; F577-L610 HydrophobicContact CE2-CD2 3.94Å; F577-F612 HydrophobicContact CB-CB 3.92Å; F577-F612 HydrophobicContact CB-CD1 4.12Å; F577-F612 HydrophobicContact CB-CG 4.42Å
578T85.7Confident78.7Confident43 Ų4324.5 Ų24.526%0.26414%0.135SC..EExtended strand (participates in β ladder)trans-115.6122.1171.2-59.60000108.3T499 V580 Q611T499-T578 HydrophobicContact CG2-CG2 3.94Å; T578-V580 HydrophobicContact CG2-CG2 4.48Å; T578-Q611 PolarHBondContact N-O 2.99Å; T578-Q611 PolarHBondContact O-N 3.19Å
579M86.1Confident79Confident2 Ų222.7 Ų22.71%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-79.3130.1166.8176.6-174.3-65.200108.9V461 T499 L500 L510 V608 L610V461-M579 HydrophobicContact CB-CE 4.15Å; V461-M579 HydrophobicContact CG1-CE 3.07Å; V461-M579 WeakPolarHBondContact O-CE 3.38Å; T499-M579 CarbonylContact C-O 3.58Å; T499-M579 VanDerWaalsContact CA-O 3.28Å; T499-M579 WeakPolarHBondContact CA-O 3.37Å; L500-M579 HydrophobicContact CB-CB 4.48Å; L500-M579 PolarHBondContact N-O 3.11Å; L500-M579 PolarHBondContact O-N 3.36Å; L510-M579 HydrophobicContact CD1-CB 4.21Å; L510-M579 HydrophobicContact CD1-CE 4.06Å; L510-M579 HydrophobicContact CD2-CB 4.3Å; L510-M579 HydrophobicContact CD2-CE 3.62Å; L510-M579 HydrophobicContact CD2-SD 3.66Å; M579-V608 HydrophobicContact CG-CG1 4.05Å; M579-V608 HydrophobicContact SD-CG1 4.19Å; M579-L610 HydrophobicContact CB-CD2 4.04Å; M579-L610 HydrophobicContact CG-CD2 4.36Å
580V84.4Confident79.2Confident0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-111.2130.4175.4-174.10000108.8T499 T578 E582 V608 Y609 Q611 L898T499-V580 HydrophobicContact CG2-CG2 4.23Å; T578-V580 HydrophobicContact CG2-CG2 4.48Å; V580-E582 HydrophobicContact CG1-CG 4.15Å; V580-V608 WeakPolarHBondContact O-CA 3.39Å; V580-Y609 HydrophobicContact CB-CD2 4.07Å; V580-Y609 HydrophobicContact CB-CE1 4.21Å; V580-Y609 HydrophobicContact CB-CE2 3.66Å; V580-Y609 HydrophobicContact CG1-CE1 4.06Å; V580-Y609 HydrophobicContact CG1-CE2 4.05Å; V580-Y609 HydrophobicContact CG2-CD2 4.25Å; V580-Y609 HydrophobicContact CG2-CE2 3.73Å; V580-Y609 PolarHBondContact N-O 2.97Å; V580-Y609 PolarHBondContact O-N 3.4Å; V580-Y609 VanDerWaalsContact O-N 3.13Å; V580-Q611 HydrophobicContact CG2-CB 4.46Å; V580-Q611 HydrophobicContact CG2-CG 3.79Å; V580-L898 HydrophobicContact CB-CD1 4.29Å; V580-L898 HydrophobicContact CG1-CD1 3.56Å; V580-L898 HydrophobicContact CG1-CD2 3.95Å; V580-L898 HydrophobicContact CG1-CG 4.32Å; V580-L898 HydrophobicContact CG2-CD1 3.72Å
581T82.8Confident78.9Confident1 Ų122.4 Ų22.41%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-116.4108.5167.4-50.20000109V469 Y497 R498 R583 C606 R607 V608V469-T581 HydrophobicContact CG1-CG2 4.09Å; Y497-T581 CarbonylContact C-O 3.53Å; Y497-T581 VanDerWaalsContact CA-O 3.22Å; Y497-T581 WeakPolarHBondContact CA-O 3.29Å; R498-T581 PolarHBondContact N-O 3.44Å; R498-T581 PolarHBondContact O-N 3.44Å; T581-R583 HydrophobicContact CG2-CG 4.48Å; T581-C606 HydrophobicContact CG2-CB 4.44Å; T581-R607 CarbonylContact C-O 3.57Å; T581-R607 WeakPolarHBondContact CA-O 3.31Å; T581-V608 HydrophobicContact CG2-CG2 4.15Å
582E80.9Confident78.5Confident0 Ų023.9 Ų23.90%012%0.124CC..EExtended strand (participates in β ladder)trans-90135170-68.8-174.2-145.600109.7W495 V580 F584 C606 R607 Y609 Y893 L898W495-E582 HydrophobicContact CZ2-CG 4.17Å; W495-E582 PolarHBondContact NE1-OE2 3.35Å; W495-E582 VanDerWaalsContact NE1-OE2 3.13Å; V580-E582 HydrophobicContact CG1-CG 4.15Å; E582-F584 HydrophobicContact CB-CE2 3.89Å; E582-F584 HydrophobicContact CB-CZ 4.23Å; E582-F584 WeakPolarHBondContact OE2-CZ 3.31Å; E582-C606 CarbonylContact O-C 3.54Å; E582-C606 VanDerWaalsContact O-CA 3.26Å; E582-C606 WeakPolarHBondContact O-CA 3.26Å; E582-R607 HydrophobicContact CB-CB 4.39Å; E582-R607 PolarHBondContact N-O 2.75Å; E582-R607 PolarHBondContact O-N 3Å; E582-Y609 HydrophobicContact CG-CE1 4.11Å; E582-Y609 VanDerWaalsContact OE1-CE1 3.28Å; E582-Y609 WeakPolarHBondContact OE1-CE1 3.28Å; E582-Y609 VanDerWaalsContact OE1-CZ 3.31Å; E582-Y609 PolarHBondContact OE1-OH 3.26Å; E582-Y893 WeakPolarHBondContact OE2-CE1 3.45Å; E582-Y893 PolarHBondContact OE2-OH 2.78Å; E582-L898 HydrophobicContact CG-CD2 4.06Å
583R78.9Confident78Confident19 Ų1934.1 Ų34.17%0.07216%0.163CC..EExtended strand (participates in β ladder)trans-119.3128.8-178.1-51-178.4-171.286.1-0.8108.9V469 W495 S496 Y497 T581V469-R583 VanDerWaalsContact CG1-CZ 3.44Å; W495-R583 WeakPolarHBondContact CA-O 3.2Å; S496-R583 PolarHBondContact N-O 3.16Å; S496-R583 PolarHBondContact O-N 3.42Å; Y497-R583 VanDerWaalsContact C-NH1 3.34Å; Y497-R583 PolarHBondContact O-NH1 3.4Å; T581-R583 HydrophobicContact CG2-CG 4.48Å
584F77Confident77.4Confident15 Ų1536.5 Ų36.57%0.06617%0.173CC..EExtended strand (participates in β ladder)trans-114.2120.6174.6-54.1-97.5000107.7S494 W495 E582 T605 R607 Y893S494-F584 WeakPolarHBondContact O-CA 3.43Å; W495-F584 AromaticContact CD1-CD1 3.64Å; W495-F584 AromaticContact CD1-CE1 3.33Å; W495-F584 AromaticContact CD1-CZ 3.74Å; W495-F584 HydrophobicContact CG-CE1 4.47Å; W495-F584 AromaticContact NE1-CE1 3.8Å; W495-F584 AromaticContact NE1-CZ 3.78Å; E582-F584 HydrophobicContact CB-CE2 3.89Å; E582-F584 HydrophobicContact CB-CZ 4.23Å; E582-F584 WeakPolarHBondContact OE2-CZ 3.31Å; F584-T605 WeakPolarHBondContact CB-OG1 3.41Å; F584-T605 PolarHBondContact N-O 3.44Å; F584-T605 PolarHBondContact O-N 3.15Å; F584-R607 HydrophobicContact CE2-CB 4.39Å; F584-R607 HydrophobicContact CE2-CG 4.23Å; F584-Y893 HydrophobicContact CZ-CE1 4.2Å
585L75Confident76.9Confident21 Ų2137 Ų3711%0.1118%0.175CC..EExtended strand (participates in β ladder)trans-117.8125.6-176.5175.865.5000109.8L493 S494 M601 R604L493-L585 HydrophobicContact CB-CD2 4.06Å; L493-L585 WeakPolarHBondContact O-CB 3.39Å; S494-L585 VanDerWaalsContact CA-O 3.31Å; S494-L585 WeakPolarHBondContact CA-O 3.44Å; S494-L585 PolarHBondContact O-N 3.43Å; L585-M601 HydrophobicContact CD1-CB 4.25Å; L585-M601 HydrophobicContact CD1-CE 3.25Å; L585-M601 HydrophobicContact CD1-CG 4.16Å; L585-M601 HydrophobicContact CD2-CE 3.68Å; L585-M601 HydrophobicContact CG-CE 4.12Å; L585-R604 HydrophobicContact CD1-CG 3.78Å
586Q75.4Confident76.4Confident67 Ų6738.4 Ų38.431%0.31319%0.192SC..EExtended strand (participates in β ladder)trans-98.3117.6164.4-164.7178.9-300108.7S602 N603Q586-S602 WeakPolarHBondContact CB-OG 3.4Å; Q586-S602 VanDerWaalsContact CG-OG 3.27Å; Q586-S602 WeakPolarHBondContact CG-OG 3.39Å; Q586-S602 PolarHBondContact O-N 2.99Å; Q586-S602 PolarHBondContact O-OG 3.3Å; Q586-N603 HydrophobicContact CB-CB 3.92Å; Q586-N603 PolarHBondContact N-O 2.96Å; Q586-N603 PolarHBondContact O-N 3.08Å
587S74.9Confident75.7Confident8 Ų842.3 Ų42.36%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-141.9151.1-177.260.70000111.9N490 S600N490-S587 WeakPolarHBondContact CB-O 3.28Å; N490-S587 PolarHBondContact OD1-O 2.66Å; N490-S587 PolarHBondContact OD1-OG 2.86Å; S587-S600 WeakPolarHBondContact CA-O 3.44Å
588D75.6Confident74.6Confident118 Ų11847.9 Ų47.963%0.63124%0.238SC*.  trans-128.349.7179.5-76.9-38000110.5S600D588-S600 PolarHBondContact N-O 3.47Å
589F74.8Confident73.5Confident0 Ų050.9 Ų50.90%026%0.259CS..  trans-65.4132.7174.8-66.7-75.8000111.5S486 V489 N490 L493 H594 L595 M601S486-F589 WeakPolarHBondContact CB-O 3.11Å; S486-F589 PolarHBondContact OG-O 3.36Å; V489-F589 HydrophobicContact CG1-CB 3.98Å; N490-F589 PolarHBondContact ND2-N 3.3Å; N490-F589 PolarHBondContact ND2-O 3.34Å; N490-F589 WeakPolarHBondContact OD1-CA 3.4Å; N490-F589 WeakPolarHBondContact OD1-CB 3.37Å; N490-F589 WeakPolarHBondContact OD1-CD2 3.44Å; N490-F589 PolarHBondContact OD1-N 2.63Å; L493-F589 HydrophobicContact CD1-CD2 3.81Å; L493-F589 HydrophobicContact CD1-CE2 3.88Å; F589-H594 HydrophobicContact CD1-CB 4.42Å; F589-H594 WeakPolarHBondContact CD1-O 3.43Å; F589-H594 VanDerWaalsContact CE1-O 3.28Å; F589-H594 WeakPolarHBondContact CE1-O 3.46Å; F589-L595 HydrophobicContact CD1-CD2 4.44Å; F589-L595 HydrophobicContact CD2-CD2 4.3Å; F589-L595 HydrophobicContact CE2-CD2 4.5Å; F589-L595 HydrophobicContact CG-CD2 4.27Å; F589-M601 HydrophobicContact CE2-CG 3.96Å; F589-M601 HydrophobicContact CZ-CG 3.62Å; F589-M601 HydrophobicContact CZ-SD 3.94Å
590P69.7Low72.4Confident23 Ų2352.1 Ų52.115%0.14927%0.268CS..SBendtrans-78-25.9179.428.8-34.5000113.4S486 H594 S979 H980S486-P590 WeakPolarHBondContact CB-O 3Å; P590-H594 HydrophobicContact CG-CB 4.04Å; P590-S979 WeakPolarHBondContact O-CB 3.44Å; P590-S979 PolarHBondContact O-OG 3.5Å; P590-H980 VanDerWaalsContact CB-NE2 3.33Å; P590-H980 WeakPolarHBondContact CB-NE2 3.46Å
591S69.1Low71.7Confident11 Ų1153.6 Ų53.68%0.07728%0.275CS..SBendtrans-169.3170.4173.9610000112.6R593 H594 S996S591-R593 PolarHBondContact O-N 2.79Å; S591-H594 PolarHBondContact O-N 3.15Å; S591-H594 PolarHBondContact OG-CE1 3.42Å; S591-H594 PolarHBondContact OG-ND1 2.95Å; S591-S996 VanDerWaalsContact CB-OG 3.28Å; S591-S996 WeakPolarHBondContact CB-OG 3.48Å; S591-S996 PolarHBondContact OG-OG 3.35Å
592C70.3Confident70.9Confident43 Ų4357.2 Ų57.229%0.29130%0.301SS..G310 helixtrans-57.9-15.5177.7-49.60000114.7V489 H594 L595V489-C592 VanDerWaalsContact CG2-SG 3.51Å; C592-H594 VanDerWaalsContact C-N 3.29Å; C592-L595 HydrophobicContact CB-CD1 4.15Å; C592-L595 VanDerWaalsContact O-CD1 3.31Å; C592-L595 WeakPolarHBondContact O-CD1 3.44Å; C592-L595 VanDerWaalsContact O-CG 3.29Å; C592-L595 WeakPolarHBondContact O-CG 3.49Å
593R68.6Low70.3Confident216 Ų21661.2 Ų61.282%0.81532%0.322SS*.G310 helixtrans-78.2-14.1177.8-64.7-176.1178.8-171.5-4.2113.8S591S591-R593 PolarHBondContact O-N 2.79Å
594H70.8Confident69.9Low53 Ų5365.4 Ų65.425%0.24534%0.338CS..G310 helixtrans-104.910.3-175-57.980.3000111.6F589 P590 S591 C592 D596 Q597F589-H594 HydrophobicContact CD1-CB 4.42Å; F589-H594 WeakPolarHBondContact CD1-O 3.43Å; F589-H594 VanDerWaalsContact CE1-O 3.28Å; F589-H594 WeakPolarHBondContact CE1-O 3.46Å; P590-H594 HydrophobicContact CG-CB 4.04Å; S591-H594 PolarHBondContact O-N 3.15Å; S591-H594 PolarHBondContact OG-CE1 3.42Å; S591-H594 PolarHBondContact OG-ND1 2.95Å; C592-H594 VanDerWaalsContact C-N 3.29Å; H594-D596 PolarHBondContact O-N 3.3Å; H594-Q597 WeakPolarHBondContact O-CB 3.45Å; H594-Q597 PolarHBondContact O-N 3.16Å; H594-Q597 VanDerWaalsContact O-N 3.08Å
595L71.6Confident69.6Low10 Ų1067.9 Ų67.95%0.05235%0.354CS..THydrogen-bonded Turntrans-65.6-25-176.8-67.8174.8000113.3L479 V489 L493 F589 C592 Q597L479-L595 HydrophobicContact CD1-CD1 3.77Å; L479-L595 HydrophobicContact CD1-CD2 4.13Å; V489-L595 HydrophobicContact CG1-CD2 3.99Å; L493-L595 HydrophobicContact CD1-CD2 3.63Å; F589-L595 HydrophobicContact CD1-CD2 4.44Å; F589-L595 HydrophobicContact CD2-CD2 4.3Å; F589-L595 HydrophobicContact CE2-CD2 4.5Å; F589-L595 HydrophobicContact CG-CD2 4.27Å; C592-L595 HydrophobicContact CB-CD1 4.15Å; C592-L595 VanDerWaalsContact O-CD1 3.31Å; C592-L595 WeakPolarHBondContact O-CD1 3.44Å; C592-L595 VanDerWaalsContact O-CG 3.29Å; C592-L595 WeakPolarHBondContact O-CG 3.49Å; L595-Q597 VanDerWaalsContact C-N 3.29Å
596D66.2Low69.6Low140 Ų14068.8 Ų68.875%0.74936%0.362SS*.THydrogen-bonded Turntrans-83.4-6.4177.1-53.5-38.8000112.6H594H594-D596 PolarHBondContact O-N 3.3Å
597Q67.7Low69.7Low97 Ų9768.8 Ų68.845%0.45336%0.359SS..  trans-96.7104.1-179.4-60177.910.400110.1H594 L595 C599H594-Q597 WeakPolarHBondContact O-CB 3.45Å; H594-Q597 PolarHBondContact O-N 3.16Å; H594-Q597 VanDerWaalsContact O-N 3.08Å; L595-Q597 VanDerWaalsContact C-N 3.29Å; Q597-C599 PolarHBondContact O-N 2.83Å
598N61.9Low70.1Confident118 Ų11869.7 Ų69.763%0.63136%0.364SS*.G310 helixtrans-64.2-9.8-177.8-75.5-30.2000115S600N598-S600 VanDerWaalsContact C-N 3.26Å; N598-S600 PolarHBondContact O-N 2.8Å
599C60.8Low70.6Confident107 Ų10764.1 Ų64.172%0.72333%0.334SS*.G310 helixtrans-70.1-13.2-175.753.60000115.2Q597Q597-C599 PolarHBondContact O-N 2.83Å
600S63.8Low71.3Confident27 Ų2764.1 Ų64.119%0.18933%0.334CS..G310 helixtrans-96.58.9-177-61.40000114.4S587 D588 N598S587-S600 WeakPolarHBondContact CA-O 3.44Å; D588-S600 PolarHBondContact N-O 3.47Å; N598-S600 VanDerWaalsContact C-N 3.26Å; N598-S600 PolarHBondContact O-N 2.8Å
601M69.1Low72.1Confident31 Ų3163.4 Ų63.415%0.15333%0.329CS..EExtended strand (participates in β ladder)trans-105.9118.8-177.6-63170.380.600109.8L585 F589 R604L585-M601 HydrophobicContact CD1-CB 4.25Å; L585-M601 HydrophobicContact CD1-CE 3.25Å; L585-M601 HydrophobicContact CD1-CG 4.16Å; L585-M601 HydrophobicContact CD2-CE 3.68Å; L585-M601 HydrophobicContact CG-CE 4.12Å; F589-M601 HydrophobicContact CE2-CG 3.96Å; F589-M601 HydrophobicContact CZ-CG 3.62Å; F589-M601 HydrophobicContact CZ-SD 3.94Å; M601-R604 HydrophobicContact CE-CG 4.43Å; M601-R604 PolarHBondContact SD-NH2 3Å
602S67.1Low73Confident77 Ų7763 Ų6354%0.53833%0.326SS..EExtended strand (participates in β ladder)trans-99.5-32.5-172.865.30000113.8Q586Q586-S602 WeakPolarHBondContact CB-OG 3.4Å; Q586-S602 VanDerWaalsContact CG-OG 3.27Å; Q586-S602 WeakPolarHBondContact CG-OG 3.39Å; Q586-S602 PolarHBondContact O-N 2.99Å; Q586-S602 PolarHBondContact O-OG 3.3Å
603N67.1Low73.6Confident84 Ų8461.5 Ų61.545%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-149.1141.6179-166.8-0.2000110.8Q586Q586-N603 HydrophobicContact CB-CB 3.92Å; Q586-N603 PolarHBondContact N-O 2.96Å; Q586-N603 PolarHBondContact O-N 3.08Å
604R71Confident74Confident108 Ų10852.6 Ų52.641%0.40828%0.284SS..EExtended strand (participates in β ladder)trans-134.9112177.6-61.1-178-172.2-173.2-0.7108.4L585 M601L585-R604 HydrophobicContact CD1-CG 3.78Å; M601-R604 HydrophobicContact CE-CG 4.43Å; M601-R604 PolarHBondContact SD-NH2 3Å
605T71.6Confident74.2Confident67 Ų6754 Ų5441%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-118.4146.6172.159.90000109.7F584F584-T605 WeakPolarHBondContact CB-OG1 3.41Å; F584-T605 PolarHBondContact N-O 3.44Å; F584-T605 PolarHBondContact O-N 3.15Å
606C75.1Confident74.6Confident40 Ų4055.3 Ų55.327%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-131.6146.4179.2-70.90000109.4T581 E582T581-C606 HydrophobicContact CG2-CB 4.44Å; E582-C606 CarbonylContact O-C 3.54Å; E582-C606 VanDerWaalsContact O-CA 3.26Å; E582-C606 WeakPolarHBondContact O-CA 3.26Å
607R78Confident75.3Confident66 Ų6649.9 Ų49.925%0.24927%0.27CS..EExtended strand (participates in β ladder)trans-126130.6177.3-80.2-177173.2160.1-0109.1E529 F530 T581 E582 F584 Y893E529-R607 IonicContact OE1-CZ 3.78Å; E529-R607 IonicContact OE1-NE 3.59Å; E529-R607 PolarHBondContact OE1-NE 3.13Å; E529-R607 IonicContact OE1-NH2 3.18Å; E529-R607 PolarHBondContact OE1-NH2 2.97Å; F530-R607 HydrophobicContact CZ-CB 4.01Å; F530-R607 HydrophobicContact CZ-CG 4.04Å; T581-R607 CarbonylContact C-O 3.57Å; T581-R607 WeakPolarHBondContact CA-O 3.31Å; E582-R607 HydrophobicContact CB-CB 4.39Å; E582-R607 PolarHBondContact N-O 2.75Å; E582-R607 PolarHBondContact O-N 3Å; F584-R607 HydrophobicContact CE2-CB 4.39Å; F584-R607 HydrophobicContact CE2-CG 4.23Å; R607-Y893 VanDerWaalsContact NH1-CG 3.31Å
608V83Confident75.7Confident27 Ų2746.7 Ų46.716%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-121128.6-178.4-1760000109.3V466 M579 V580 T581V466-V608 HydrophobicContact CG2-CG2 4.29Å; M579-V608 HydrophobicContact CG-CG1 4.05Å; M579-V608 HydrophobicContact SD-CG1 4.19Å; V580-V608 WeakPolarHBondContact O-CA 3.39Å; T581-V608 HydrophobicContact CG2-CG2 4.15Å
609Y85.9Confident76.4Confident1 Ų143 Ų430%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-152.3167.7175.360.4-94.3000110.4F530 S544 I546 V580 E582 Q611 P895 G896F530-Y609 HydrophobicContact CE1-CD1 4.44Å; F530-Y609 HydrophobicContact CZ-CD1 4.32Å; S544-Y609 CarbonylContact O-C 3.6Å; S544-Y609 WeakPolarHBondContact O-CA 3.49Å; S544-Y609 WeakPolarHBondContact O-CB 3.37Å; I546-Y609 HydrophobicContact CD1-CD2 3.83Å; I546-Y609 HydrophobicContact CD1-CE2 3.52Å; I546-Y609 HydrophobicContact CG1-CD2 4.12Å; I546-Y609 HydrophobicContact CG1-CE2 4.3Å; V580-Y609 HydrophobicContact CB-CD2 4.07Å; V580-Y609 HydrophobicContact CB-CE1 4.21Å; V580-Y609 HydrophobicContact CB-CE2 3.66Å; V580-Y609 HydrophobicContact CG1-CE1 4.06Å; V580-Y609 HydrophobicContact CG1-CE2 4.05Å; V580-Y609 HydrophobicContact CG2-CD2 4.25Å; V580-Y609 HydrophobicContact CG2-CE2 3.73Å; V580-Y609 PolarHBondContact N-O 2.97Å; V580-Y609 PolarHBondContact O-N 3.4Å; V580-Y609 VanDerWaalsContact O-N 3.13Å; E582-Y609 HydrophobicContact CG-CE1 4.11Å; E582-Y609 VanDerWaalsContact OE1-CE1 3.28Å; E582-Y609 WeakPolarHBondContact OE1-CE1 3.28Å; E582-Y609 VanDerWaalsContact OE1-CZ 3.31Å; E582-Y609 PolarHBondContact OE1-OH 3.26Å; Y609-Q611 HydrophobicContact CD2-CG 4.17Å; Y609-Q611 HydrophobicContact CE2-CG 3.85Å; Y609-P895 HydrophobicContact CD1-CB 4.33Å; Y609-P895 HydrophobicContact CE1-CB 4.19Å; Y609-G896 WeakPolarHBondContact OH-CA 3.43Å; Y609-G896 PolarHBondContact OH-N 3.08Å; Y609-G896 VanDerWaalsContact OH-N 3.07Å
610L88.1Confident76.9Confident0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-107.4146.3-178.8-56.2178.1000111.2M458 L517 V543 S544 C545 I546 F577 M579 F612M458-L610 HydrophobicContact CE-CD1 4.47Å; L517-L610 HydrophobicContact CD2-CD1 3.25Å; V543-L610 HydrophobicContact CB-CD1 4.41Å; V543-L610 HydrophobicContact CG1-CD1 4.08Å; V543-L610 HydrophobicContact CG1-CG 3.79Å; S544-L610 PolarHBondContact O-N 2.85Å; C545-L610 CarbonylContact C-O 3.53Å; C545-L610 WeakPolarHBondContact CA-O 3.35Å; I546-L610 PolarHBondContact N-O 3.34Å; F577-L610 HydrophobicContact CD2-CD2 3.8Å; F577-L610 HydrophobicContact CE2-CD2 3.94Å; M579-L610 HydrophobicContact CB-CD2 4.04Å; M579-L610 HydrophobicContact CG-CD2 4.36Å; L610-F612 HydrophobicContact CB-CD1 4.4Å; L610-F612 HydrophobicContact CB-CE1 4.47Å
611Q87.8Confident77.2Confident9 Ų937.7 Ų37.74%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-125.6126.8172.7-69.7-177.1-24.600109.5I546 T578 V580 Y609 N901 L933I546-Q611 HydrophobicContact CB-CG 4.13Å; I546-Q611 HydrophobicContact CD1-CG 4.23Å; I546-Q611 WeakPolarHBondContact O-CA 3.3Å; T578-Q611 PolarHBondContact N-O 2.99Å; T578-Q611 PolarHBondContact O-N 3.19Å; V580-Q611 HydrophobicContact CG2-CB 4.46Å; V580-Q611 HydrophobicContact CG2-CG 3.79Å; Y609-Q611 HydrophobicContact CD2-CG 4.17Å; Y609-Q611 HydrophobicContact CE2-CG 3.85Å; Q611-N901 PolarHBondContact NE2-ND2 3.24Å; Q611-L933 HydrophobicContact CB-CD1 3.89Å; Q611-L933 HydrophobicContact CB-CD2 3.9Å; Q611-L933 HydrophobicContact CG-CD2 4.05Å
612F87.1Confident76.9Confident3 Ų337.8 Ų37.81%0.01320%0.204CC..EExtended strand (participates in β ladder)trans-155.2161174.255.5-93.7000112.6C545 I546 V547 T548 V574 S576 F577 L610 L617C545-F612 HydrophobicContact CB-CE1 3.79Å; C545-F612 HydrophobicContact CB-CZ 4.1Å; I546-F612 PolarHBondContact O-N 3.22Å; I546-F612 VanDerWaalsContact O-N 3.13Å; V547-F612 WeakPolarHBondContact CA-O 3.48Å; V547-F612 HydrophobicContact CB-CE2 4.36Å; V547-F612 HydrophobicContact CG1-CD2 4.28Å; V547-F612 HydrophobicContact CG1-CE2 3.95Å; V547-F612 HydrophobicContact CG2-CD2 4.35Å; V547-F612 HydrophobicContact CG2-CE1 4.34Å; V547-F612 HydrophobicContact CG2-CE2 3.61Å; V547-F612 HydrophobicContact CG2-CZ 3.61Å; T548-F612 PolarHBondContact N-O 3.26Å; V574-F612 HydrophobicContact CG1-CB 3.97Å; V574-F612 HydrophobicContact CG1-CD1 3.99Å; V574-F612 HydrophobicContact CG1-CD2 3.94Å; V574-F612 HydrophobicContact CG1-CE1 4.45Å; V574-F612 HydrophobicContact CG1-CE2 4.42Å; V574-F612 HydrophobicContact CG1-CG 3.7Å; V574-F612 HydrophobicContact CG2-CD2 4.48Å; V574-F612 HydrophobicContact CG2-CE1 4.25Å; V574-F612 HydrophobicContact CG2-CE2 4.15Å; V574-F612 HydrophobicContact CG2-CZ 4.01Å; S576-F612 WeakPolarHBondContact O-CB 3.43Å; F577-F612 HydrophobicContact CB-CB 3.92Å; F577-F612 HydrophobicContact CB-CD1 4.12Å; F577-F612 HydrophobicContact CB-CG 4.42Å; L610-F612 HydrophobicContact CB-CD1 4.4Å; L610-F612 HydrophobicContact CB-CE1 4.47Å; F612-L617 HydrophobicContact CE2-CD1 4.13Å
613S83.3Confident76.5Confident10 Ų1035 Ų357%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-90.5150.9171179.80000111.2T548 T550 D615 H616T548-S613 CarbonylContact O-C 3.58Å; T548-S613 VanDerWaalsContact O-CA 3.27Å; T548-S613 WeakPolarHBondContact O-CA 3.34Å; T548-S613 PolarHBondContact O-OG 2.76Å; T550-S613 PolarHBondContact OG1-OG 2.89Å; S613-D615 PolarHBondContact O-N 2.92Å; S613-D615 PolarHBondContact OG-N 2.81Å; S613-H616 WeakPolarHBondContact O-CB 3.16Å; S613-H616 PolarHBondContact O-N 3.03Å
614L76.5Confident76.1Confident29 Ų2935.9 Ų35.915%0.15219%0.192CC..G310 helixtrans-57.1-30170-70.1174.7000113.5V547 T548 E549 F562 H616 L617V547-L614 HydrophobicContact CG1-CD2 3.47Å; V547-L614 VanDerWaalsContact CG1-CD2 3.47Å; V547-L614 HydrophobicContact CG1-CG 3.78Å; T548-L614 PolarHBondContact O-N 3.39Å; E549-L614 HydrophobicContact CB-CD1 3.67Å; E549-L614 HydrophobicContact CB-CG 4.47Å; E549-L614 HydrophobicContact CG-CD1 3.82Å; F562-L614 HydrophobicContact CB-CD1 4.42Å; F562-L614 HydrophobicContact CD2-CD1 3.52Å; F562-L614 HydrophobicContact CD2-CD2 3.44Å; F562-L614 VanDerWaalsContact CD2-CD2 3.44Å; F562-L614 HydrophobicContact CD2-CG 3.93Å; F562-L614 HydrophobicContact CE2-CD1 4.27Å; F562-L614 HydrophobicContact CE2-CD2 3.58Å; F562-L614 HydrophobicContact CG-CD1 4.45Å; F562-L614 HydrophobicContact CG-CD2 4.48Å; L614-H616 PolarHBondContact O-N 3.41Å; L614-L617 HydrophobicContact CD2-CD1 4.25Å; L614-L617 WeakPolarHBondContact O-CB 3.38Å; L614-L617 PolarHBondContact O-N 3.09Å
615D76.3Confident75.2Confident84 Ų8431.6 Ų31.645%0.44918%0.18SC..G310 helixtrans-62-9.4175.2-64.80.2000113T550 S613T550-D615 WeakPolarHBondContact CB-OD2 3.46Å; T550-D615 PolarHBondContact OG1-OD1 2.86Å; T550-D615 PolarHBondContact OG1-OD2 3.4Å; S613-D615 PolarHBondContact O-N 2.92Å; S613-D615 PolarHBondContact OG-N 2.81Å
616H79Confident74.2Confident37 Ų3729.1 Ų29.117%0.17116%0.164CC..G310 helixtrans-109.62.9177.4-59.8-21.2000112.8V574 R575 S576 S613 L614V574-H616 WeakPolarHBondContact CA-O 3.12Å; R575-H616 WeakPolarHBondContact CB-O 3.47Å; R575-H616 PolarHBondContact N-O 3.31Å; S576-H616 PolarHBondContact O-CD2 2.79Å; S613-H616 WeakPolarHBondContact O-CB 3.16Å; S613-H616 PolarHBondContact O-N 3.03Å; L614-H616 PolarHBondContact O-N 3.41Å
617L80.3Confident73.2Confident25 Ų2528.6 Ų28.613%0.13116%0.163CC..EExtended strand (participates in β ladder)trans-99.2125.7179.4-171159.3000109.9L521 V572 F612 L614 I619L521-L617 HydrophobicContact CD2-CD1 4.39Å; V572-L617 HydrophobicContact CB-CD1 4.25Å; V572-L617 HydrophobicContact CB-CD2 3.83Å; V572-L617 HydrophobicContact CB-CG 3.94Å; V572-L617 HydrophobicContact CG1-CD1 4.24Å; V572-L617 HydrophobicContact CG1-CD2 3.63Å; V572-L617 HydrophobicContact CG1-CG 4.16Å; V572-L617 HydrophobicContact CG2-CD1 4.33Å; V572-L617 HydrophobicContact CG2-CG 4.44Å; F612-L617 HydrophobicContact CE2-CD1 4.13Å; L614-L617 HydrophobicContact CD2-CD1 4.25Å; L614-L617 WeakPolarHBondContact O-CB 3.38Å; L614-L617 PolarHBondContact O-N 3.09Å; L617-I619 HydrophobicContact CD2-CG1 3.68Å
618V77.9Confident72Confident31 Ų3127.4 Ų27.419%0.18816%0.163CC..EExtended strand (participates in β ladder)trans-111.6123.1174.4178.90000108.9E414 V572 C573 L620E414-V618 HydrophobicContact CB-CG1 4.44Å; E414-V618 HydrophobicContact CB-CG2 4.38Å; E414-V618 HydrophobicContact CG-CG1 3.87Å; E414-V618 HydrophobicContact CG-CG2 4.45Å; V572-V618 CarbonylContact C-O 3.58Å; V572-V618 WeakPolarHBondContact CA-O 3.44Å; C573-V618 HydrophobicContact CB-CB 4.32Å; C573-V618 PolarHBondContact N-O 2.76Å; C573-V618 PolarHBondContact O-N 3.02Å; V618-L620 HydrophobicContact CG1-CD2 4.09Å; V618-L620 PolarHBondContact O-N 3.04Å
619I75.9Confident70.4Confident41 Ų4128.1 Ų28.121%0.2116%0.164CC..EExtended strand (participates in β ladder)trans-81.7107.9179-59.8172.1000108.8D567 V572 L617 P622 M626D567-I619 WeakPolarHBondContact OD1-CD1 3.3Å; V572-I619 HydrophobicContact CG1-CG1 4.46Å; L617-I619 HydrophobicContact CD2-CG1 3.68Å; I619-P622 HydrophobicContact CG2-CB 4.12Å; I619-M626 HydrophobicContact CD1-CE 3.21Å; I619-M626 HydrophobicContact CD1-CG 4.04Å; I619-M626 HydrophobicContact CD1-SD 4.38Å
620L71.3Confident69Low1 Ų132.4 Ų32.41%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-77.5-48.6-179.3-57.9-171.4000110.8C407 R410 V411 V518 L571 C573 V618C407-L620 HydrophobicContact CB-CB 4.04Å; C407-L620 HydrophobicContact CB-CD1 4.25Å; R410-L620 PolarHBondContact NH1-O 3.49Å; V411-L620 HydrophobicContact CG2-CD1 3.97Å; V411-L620 HydrophobicContact CG2-CD2 3.37Å; V411-L620 HydrophobicContact CG2-CG 4.31Å; V518-L620 HydrophobicContact CG1-CD1 3.79Å; V518-L620 HydrophobicContact CG2-CD1 4.45Å; L571-L620 HydrophobicContact CD2-CB 4.18Å; L571-L620 HydrophobicContact CD2-CD1 4.37Å; L571-L620 HydrophobicContact CG-CB 4.2Å; L571-L620 HydrophobicContact CG-CD1 4.36Å; L571-L620 WeakPolarHBondContact O-CB 3.21Å; L571-L620 PolarHBondContact O-N 2.91Å; C573-L620 HydrophobicContact CB-CD1 3.94Å; C573-L620 HydrophobicContact CB-CD2 3.84Å; C573-L620 HydrophobicContact CB-CG 3.89Å; V618-L620 HydrophobicContact CG1-CD2 4.09Å; V618-L620 PolarHBondContact O-N 3.04Å
621S69.3Low67.5Low20 Ų2042.7 Ų42.714%0.1423%0.226CC..EExtended strand (participates in β ladder)trans-130.7120.8167.2-176.50000110.7Y403 L571Y403-S621 VanDerWaalsContact CZ-CB 3.46Å; Y403-S621 WeakPolarHBondContact OH-CB 3.31Å; Y403-S621 PolarHBondContact OH-OG 2.9Å; L571-S621 PolarHBondContact N-O 2.96Å; L571-S621 PolarHBondContact O-N 3.21Å
622P62.4Low65.8Low34 Ų3446.8 Ų46.822%0.22125%0.247CC..  trans-65.8142.8173.129.3-33000109.4I619 M626 A627 L630I619-P622 HydrophobicContact CG2-CB 4.12Å; P622-M626 HydrophobicContact CB-CB 3.61Å; P622-M626 HydrophobicContact CB-CG 3.69Å; P622-A627 HydrophobicContact CB-CB 4.28Å; P622-A627 HydrophobicContact CG-CB 4.09Å; P622-L630 HydrophobicContact CB-CD1 4.2Å
623S60.1Low63.6Low17 Ų1749.9 Ų49.912%0.11928%0.28CS..  trans-58164.6161.875.70000109.8A566 S570 A625 M626 A627A566-S623 PolarHBondContact O-OG 2.54Å; S570-S623 WeakPolarHBondContact OG-CB 3.32Å; S570-S623 PolarHBondContact OG-N 3.23Å; S623-A625 PolarHBondContact O-N 3.03Å; S623-A625 VanDerWaalsContact O-N 3.13Å; S623-A625 PolarHBondContact OG-N 3.07Å; S623-M626 PolarHBondContact O-N 3.09Å; S623-M626 PolarHBondContact OG-N 2.74Å; S623-A627 WeakPolarHBondContact O-CB 3.42Å; S623-A627 PolarHBondContact O-N 3.03Å
624V58.2Low61.3Low103 Ų10351.7 Ų51.762%0.62430%0.3SS*.Hα-helixtrans-54.3-34.9172.3-179.80000110.7T628V624-T628 PolarHBondContact O-N 3.46Å; V624-T628 PolarHBondContact O-OG1 3.45Å
625A51.3Low59.2Low18 Ų1857 Ų5715%0.14933%0.333CS..Hα-helixtrans-70.2-3717800000112.9S623 H629 N720S623-A625 PolarHBondContact O-N 3.03Å; S623-A625 VanDerWaalsContact O-N 3.13Å; S623-A625 PolarHBondContact OG-N 3.07Å; A625-H629 PolarHBondContact O-N 3.02Å; A625-N720 PolarHBondContact O-ND2 3.5Å
626M52.2Low56.8Low15 Ų1561 Ų617%0.07435%0.349CS..Hα-helixtrans-77.6-32.7176.4-172.252.3165.500112.9A566 D567 I619 P622 S623 T628 H629 L630A566-M626 HydrophobicContact CB-CB 4.2Å; A566-M626 HydrophobicContact CB-SD 3.79Å; A566-M626 WeakPolarHBondContact O-CB 3.25Å; D567-M626 WeakPolarHBondContact OD1-CE 3.38Å; I619-M626 HydrophobicContact CD1-CE 3.21Å; I619-M626 HydrophobicContact CD1-CG 4.04Å; I619-M626 HydrophobicContact CD1-SD 4.38Å; P622-M626 HydrophobicContact CB-CB 3.61Å; P622-M626 HydrophobicContact CB-CG 3.69Å; S623-M626 PolarHBondContact O-N 3.09Å; S623-M626 PolarHBondContact OG-N 2.74Å; M626-T628 VanDerWaalsContact C-N 3.29Å; M626-T628 PolarHBondContact O-N 2.92Å; M626-H629 WeakPolarHBondContact O-CB 3.34Å; M626-H629 PolarHBondContact O-N 3.05Å; M626-H629 HydrophobicContact SD-CB 4.03Å; M626-L630 HydrophobicContact CE-CD1 4.33Å; M626-L630 HydrophobicContact CE-CD2 3.89Å; M626-L630 HydrophobicContact CE-CG 4Å; M626-L630 HydrophobicContact CG-CD1 4.07Å; M626-L630 HydrophobicContact CG-CG 4.23Å; M626-L630 WeakPolarHBondContact O-CG 3.3Å; M626-L630 PolarHBondContact O-N 2.67Å; M626-L630 HydrophobicContact SD-CG 4.13Å
627A54.1Low54.3Low30 Ų3065 Ų6525%0.24838%0.379CS..Hα-helixtrans-63.2-38.717600000111.2P622 S623 R631P622-A627 HydrophobicContact CB-CB 4.28Å; P622-A627 HydrophobicContact CG-CB 4.09Å; S623-A627 WeakPolarHBondContact O-CB 3.42Å; S623-A627 PolarHBondContact O-N 3.03Å; A627-R631 VanDerWaalsContact O-CG 3.3Å; A627-R631 WeakPolarHBondContact O-CG 3.32Å; A627-R631 PolarHBondContact O-N 3.05Å
628T52.5Low51.9Low40 Ų4067.7 Ų67.725%0.24541%0.412CS..Hα-helixtrans-65.3-43.4172.8-29.40000111.3V624 M626 I632 Q721V624-T628 PolarHBondContact O-N 3.46Å; V624-T628 PolarHBondContact O-OG1 3.45Å; M626-T628 VanDerWaalsContact C-N 3.29Å; M626-T628 PolarHBondContact O-N 2.92Å; T628-I632 HydrophobicContact CG2-CD1 4.43Å; T628-I632 WeakPolarHBondContact O-CD1 3.2Å; T628-I632 VanDerWaalsContact O-CG1 3.27Å; T628-I632 WeakPolarHBondContact O-CG1 3.43Å; T628-Q721 HydrophobicContact CG2-CG 4.42Å
629H50.3Low49.4Very low43 Ų4371.5 Ų71.520%0.19944%0.44CS..Hα-helixtrans-62.5-46.4179-178-91.5000112.5A566 A625 M626 I632 G633 T801A566-H629 HydrophobicContact CB-CB 4.47Å; A625-H629 PolarHBondContact O-N 3.02Å; M626-H629 WeakPolarHBondContact O-CB 3.34Å; M626-H629 PolarHBondContact O-N 3.05Å; M626-H629 HydrophobicContact SD-CB 4.03Å; H629-I632 PolarHBondContact O-N 3.08Å; H629-G633 PolarHBondContact O-N 3.44Å; H629-T801 PolarHBondContact CD2-OG1 2.99Å; H629-T801 VanDerWaalsContact NE2-CG2 3.29Å; H629-T801 WeakPolarHBondContact NE2-CG2 3.4Å; H629-T801 PolarHBondContact NE2-OG1 3.21Å
630L55.9Low47.1Very low90 Ų9076.7 Ų76.747%0.47147%0.469SS..Hα-helixtrans-67.8-35-179.8-71173.6000113.7P622 M626 I632 G633 G634P622-L630 HydrophobicContact CB-CD1 4.2Å; M626-L630 HydrophobicContact CE-CD1 4.33Å; M626-L630 HydrophobicContact CE-CD2 3.89Å; M626-L630 HydrophobicContact CE-CG 4Å; M626-L630 HydrophobicContact CG-CD1 4.07Å; M626-L630 HydrophobicContact CG-CG 4.23Å; M626-L630 WeakPolarHBondContact O-CG 3.3Å; M626-L630 PolarHBondContact O-N 2.67Å; M626-L630 HydrophobicContact SD-CG 4.13Å; L630-I632 PolarHBondContact O-N 2.9Å; L630-G633 PolarHBondContact O-N 3.32Å; L630-G634 PolarHBondContact O-N 3.21Å
631R56.5Low45.1Very low217 Ų21783.1 Ų83.182%0.81950%0.503SS*.Hα-helixtrans-61.9-24.4175.8-79177.8-175.6-174.71.3113A627A627-R631 VanDerWaalsContact O-CG 3.3Å; A627-R631 WeakPolarHBondContact O-CG 3.32Å; A627-R631 PolarHBondContact O-N 3.05Å
632I51.8Low43.1Very low94 Ų9491.6 Ų91.648%0.48254%0.54SS..Hα-helixtrans-94.8-28-175.7-60.8165.7000110.7T628 H629 L630 P722T628-I632 HydrophobicContact CG2-CD1 4.43Å; T628-I632 WeakPolarHBondContact O-CD1 3.2Å; T628-I632 VanDerWaalsContact O-CG1 3.27Å; T628-I632 WeakPolarHBondContact O-CG1 3.43Å; H629-I632 PolarHBondContact O-N 3.08Å; L630-I632 PolarHBondContact O-N 2.9Å; I632-P722 HydrophobicContact CD1-CG 4.17Å; I632-P722 HydrophobicContact CG2-CG 4.18Å
633G41.2Very low41.6Very low69 Ų6998.7 Ų98.771%0.71157%0.57SS**Hα-helixtrans-83.1-6.5176.600000115.6H629 L630H629-G633 PolarHBondContact O-N 3.44Å; L630-G633 PolarHBondContact O-N 3.32Å
634G33.6Very low40.1Very low48 Ų48108.8 Ų108.850%0.49561%0.606SS.*  trans-87.4113.6179.900000112.6L630 E636L630-G634 PolarHBondContact O-N 3.21Å; G634-E636 PolarHBondContact O-N 3.01Å
635V33Very low38.7Very low140 Ų140110.7 Ų110.785%0.84861%0.613SS**  trans-57.7121.3154.8176.40000106.9
636E25.9Very low37.8Very low168 Ų168119.3 Ų119.379%0.78565%0.65SS**  trans-54.4129.1177.3-65.4-141.2141.900110.4G634 G638G634-E636 PolarHBondContact O-N 3.01Å; E636-G638 PolarHBondContact O-N 3.1Å; E636-G638 VanDerWaalsContact O-N 3.08Å
637P27.1Very low36.6Very low122 Ų122129.4 Ų129.479%0.79269%0.687SS**  trans-69.7108.9165.728-27.5000106.6S639P637-S639 PolarHBondContact O-N 3.45Å; P637-S639 VanDerWaalsContact O-N 3.15Å
638G29.9Very low35.8Very low81 Ų81137.1 Ų137.184%0.83572%0.717SS**  trans-44.2120.3-177.500000112.5E636E636-G638 PolarHBondContact O-N 3.1Å; E636-G638 VanDerWaalsContact O-N 3.08Å
639S25.7Very low34.7Very low110 Ų110144 Ų14477%0.76975%0.747SS**  trans-114.6109.3159.957.40000107.6P637P637-S639 PolarHBondContact O-N 3.45Å; P637-S639 VanDerWaalsContact O-N 3.15Å
640D27.5Very low33.7Very low151 Ų151151.2 Ų151.281%0.80778%0.781SS**  trans-52.1145.1168.7-76.4-37.6000112.1
641D29Very low32.7Very low136 Ų136155.9 Ų155.973%0.72780%0.8SS**  trans57.5100.1151.9-66.5-25.3000119.4
642Q28.1Very low31.3Very low197 Ų197153.8 Ų153.892%0.92181%0.805SS**  -163.1110.9115.4-105.4161.560.400112.7R644Q642-R644 PolarHBondContact O-N 3.29Å
643Q30.6Very low30.3Very low183 Ų183156.4 Ų156.486%0.85582%0.82SS**  trans-48.2129160.4-102.3139.1-31.100112.2
644R28.2Very low29.9Very low229 Ų229160.5 Ų160.586%0.86483%0.826SS**  trans-168.5113.2131.5-110.7165.3174.1179.5-2.7113.8Q642Q642-R644 PolarHBondContact O-N 3.29Å
645N28.3Very low29.6Very low143 Ų143166.1 Ų166.177%0.76585%0.845SS**  trans61.493.7142-63.1-0.9000119.3R647N645-R647 PolarHBondContact O-N 2.82Å
646H31.5Very low29.6Very low200 Ų200168.8 Ų168.893%0.92685%0.848SS**  trans-54.6123.6141.9-77.2-75.7000110.5
647R28.9Very low29.7Very low227 Ų227164 Ų16486%0.85784%0.844SS**  trans-131125.4147.2-89.5-173.3174.7178.5-4107.7N645N645-R647 PolarHBondContact O-N 2.82Å
648E36.4Very low29.8Very low191 Ų191164.1 Ų164.189%0.89385%0.847SS**  trans-57.6123.9164.7-63160156.200107.8
649E28.8Very low29.7Very low186 Ų186165.8 Ų165.887%0.86985%0.846SS**  trans-134.2132.6157-77.9-174.8175.200108.5
650E30.8Very low30.2Very low194 Ų194166.5 Ų166.591%0.90785%0.849SS**  trans-73.8169.9-168.1-64.6170.2139.400112D652E650-D652 PolarHBondContact O-N 2.89Å
651E33.4Very low30.4Very low188 Ų188168.7 Ų168.788%0.87985%0.854SS**  trans-47.7127.6167.6-60.5171.6153.200111.4
652D27.3Very low30.4Very low172 Ų172166.6 Ų166.692%0.9286%0.864SS**  trans-156128147.2-100.1-27.2000109.8E650E650-D652 PolarHBondContact O-N 2.89Å
653D31.5Very low30.6Very low150 Ų150160.7 Ų160.780%0.80286%0.856SS**  trans-71.5158.8177.3-84.5-47.9000112.2
654D32.7Very low31Very low155 Ų155156.2 Ų156.283%0.82985%0.85SS**  trans70100.8160.2-58.8-30.6000119.6
655D26.5Very low32.3Very low166 Ų166149 Ų14989%0.88884%0.835SS**  -160140.3119.5-136.7-13.3000113.8
656E33.9Very low34.6Very low195 Ų195147.3 Ų147.391%0.91182%0.822SS**  trans-72.7132-179.7-76.4-167143.700112.5
657G26.8Very low37.2Very low69 Ų69140.1 Ų140.171%0.71179%0.794SS**  trans-15480.4176.400000113.1
658S29.7Very low40Very low123 Ų123129.4 Ų129.486%0.8675%0.753SS**  trans-28.1124.1173.650.50000118.1
659S27.1Very low42.6Very low116 Ų116120.3 Ų120.381%0.81171%0.711SS**  trans-120.9131.8151.7-68.30000108.9
660P36.9Very low45.5Very low126 Ų126111.4 Ų111.482%0.81867%0.67SS**  trans-87.5156.4-173.834.3-32.2000112.7
661E31.4Very low48.3Very low197 Ų197102.5 Ų102.592%0.92163%0.628SS**  trans99.464.4174.7-55.2-165.7169.400117.7
662G30Very low50.9Low91 Ų9193.6 Ų93.694%0.93859%0.586SS**  85.166100.500000119.2
663G31.4Very low53.8Low73 Ų7385.4 Ų85.475%0.75354%0.543SS*.  trans-170.495.5158.200000110.9S665G663-S665 PolarHBondContact O-N 2.88Å
664A39.5Very low56.4Low89 Ų8980.2 Ų80.274%0.73651%0.512SS*.  trans-49.7125.9-176.900000112Q666A664-Q666 PolarHBondContact O-N 3.42Å
665S55.2Low59Low78 Ų7872.9 Ų72.955%0.54547%0.472SS..  trans-66.6105.4173.1-1710000108.7G663 G715G663-S665 PolarHBondContact O-N 2.88Å; S665-G715 PolarHBondContact OG-O 3.4Å
666Q76.3Confident61.7Low107 Ų10768 Ų6850%0.544%0.444SS..  trans-87.8127.3-179.6-72.5-179.5-18.900110.1A664 N763A664-Q666 PolarHBondContact O-N 3.42Å; Q666-N763 VanDerWaalsContact CB-OD1 3.26Å; Q666-N763 WeakPolarHBondContact CB-OD1 3.48Å; Q666-N763 WeakPolarHBondContact CG-OD1 3.19Å; Q666-N763 PolarHBondContact NE2-OD1 2.81Å; Q666-N763 PolarHBondContact OE1-ND2 3.47Å; Q666-N763 PolarHBondContact OE1-OD1 3.11Å
667P86.1Confident64Low49 Ų4961.5 Ų61.532%0.31842%0.421SS..  trans-66152.817526.6-33.1000111.5W714 N763 T764 Q765P667-W714 WeakPolarHBondContact CA-O 3.18Å; P667-N763 WeakPolarHBondContact O-CA 3.13Å; P667-N763 PolarHBondContact O-N 2.97Å; P667-T764 PolarHBondContact O-N 2.79Å; P667-Q765 HydrophobicContact CB-CG 3.82Å; P667-Q765 HydrophobicContact CG-CG 4.36Å
668C89.2Confident66.8Low2 Ų258.7 Ų58.71%0.01439%0.389CS..EExtended strand (participates in β ladder)trans-149.5160.9177.466.70000112.7W714 D717 T760 A761 T764C668-W714 PolarHBondContact N-O 3.25Å; C668-W714 PolarHBondContact O-N 2.85Å; C668-D717 WeakPolarHBondContact SG-CA 3.42Å; C668-T760 HydrophobicContact CB-CG2 3.77Å; C668-A761 WeakPolarHBondContact CA-O 3.14Å; C668-A761 VanDerWaalsContact CB-O 3.28Å; C668-A761 WeakPolarHBondContact CB-O 3.5Å; C668-T764 CarbonylContact C-O 3.58Å; C668-T764 VanDerWaalsContact C-O 3.28Å; C668-T764 VanDerWaalsContact CA-O 3.22Å; C668-T764 WeakPolarHBondContact CA-O 3.19Å
669V90.3Very high69.4Low0 Ų053.1 Ų53.10%035%0.35CS..EExtended strand (participates in β ladder)trans-112.8146168.5-60.10000110.1V711 V712 R713 T760 A761 T764 L770V669-V711 HydrophobicContact CB-CG1 3.94Å; V669-V711 HydrophobicContact CG2-CG1 4.4Å; V669-V712 CarbonylContact C-O 3.47Å; V669-V712 VanDerWaalsContact CA-O 3.3Å; V669-V712 WeakPolarHBondContact CA-O 3.49Å; V669-R713 HydrophobicContact CG1-CG 4.11Å; V669-T760 WeakPolarHBondContact O-CA 3.4Å; V669-A761 HydrophobicContact CG2-CB 3.87Å; V669-A761 PolarHBondContact N-O 2.86Å; V669-A761 PolarHBondContact O-N 3.48Å; V669-T764 HydrophobicContact CG2-CG2 3.84Å; V669-T764 PolarHBondContact N-O 3.01Å; V669-L770 HydrophobicContact CB-CD1 4.44Å; V669-L770 HydrophobicContact CG2-CD1 3.79Å; V669-L770 HydrophobicContact CG2-CG 4.17Å
670S89.9Confident72.1Confident0 Ų048.1 Ų48.10%032%0.317CS..EExtended strand (participates in β ladder)trans-136.1157.5176.574.70000112.8V711 V712 W714 L759S670-V711 CarbonylContact O-C 3.46Å; S670-V711 WeakPolarHBondContact O-CA 3.27Å; S670-V712 PolarHBondContact N-O 2.85Å; S670-V712 PolarHBondContact O-N 2.95Å; S670-W714 PolarHBondContact OG-NE1 3.04Å; S670-L759 CarbonylContact C-O 3.52Å; S670-L759 WeakPolarHBondContact CA-O 3.38Å; S670-L759 WeakPolarHBondContact CB-O 3.03Å
671M89.4Confident74.4Confident7 Ų742.2 Ų42.23%0.03428%0.279CS..EExtended strand (participates in β ladder)trans-135.6146.9170.364.3-169.3-67.400109.1I673 L707 V711 L759 L770 L789M671-I673 HydrophobicContact CE-CG2 3.79Å; M671-I673 HydrophobicContact CG-CG2 4.13Å; M671-I673 HydrophobicContact SD-CG2 4.49Å; M671-L707 HydrophobicContact CE-CD1 4.43Å; M671-L707 HydrophobicContact CE-CD2 3.04Å; M671-L707 HydrophobicContact CE-CG 4.34Å; M671-V711 HydrophobicContact CB-CG2 4.33Å; M671-L759 HydrophobicContact CG-CB 3.9Å; M671-L759 HydrophobicContact CG-CD2 4.33Å; M671-L759 HydrophobicContact CG-CG 4.37Å; M671-L759 PolarHBondContact N-O 2.9Å; M671-L759 PolarHBondContact O-N 2.96Å; M671-L759 HydrophobicContact SD-CD2 3.98Å; M671-L770 HydrophobicContact CB-CD1 4.29Å; M671-L770 HydrophobicContact CG-CD1 4.03Å; M671-L770 HydrophobicContact SD-CB 3.72Å; M671-L770 HydrophobicContact SD-CD1 4.12Å; M671-L770 HydrophobicContact SD-CD2 3.99Å; M671-L770 HydrophobicContact SD-CG 4.15Å; M671-L789 HydrophobicContact SD-CD2 4.4Å
672V88.3Confident76.9Confident1 Ų133.3 Ų33.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-99128.9176.7-176.20000109.4I708 M723 E727 V756 L800V672-I708 HydrophobicContact CB-CB 4.31Å; V672-I708 HydrophobicContact CG1-CB 4.14Å; V672-I708 HydrophobicContact CG1-CD1 3.73Å; V672-I708 HydrophobicContact CG1-CG1 4.48Å; V672-I708 HydrophobicContact CG1-CG2 4.44Å; V672-I708 PolarHBondContact O-N 3.38Å; V672-M723 HydrophobicContact CB-CE 4Å; V672-M723 HydrophobicContact CG1-CE 3.89Å; V672-M723 HydrophobicContact CG1-SD 4.3Å; V672-M723 HydrophobicContact CG2-CE 4.07Å; V672-E727 HydrophobicContact CG2-CB 3.86Å; V672-E727 HydrophobicContact CG2-CG 4.3Å; V672-V756 HydrophobicContact CG1-CG1 3.58Å; V672-L800 HydrophobicContact CG1-CD1 3.84Å; V672-L800 HydrophobicContact CG2-CD1 4.17Å
673I88Confident79.4Confident0 Ų034.5 Ų34.50%022%0.215CC..EExtended strand (participates in β ladder)trans-128.8145.6-175.563.3167.8000110.6M671 A705 L706 L707 L738 V756 Y757 F797M671-I673 HydrophobicContact CE-CG2 3.79Å; M671-I673 HydrophobicContact CG-CG2 4.13Å; M671-I673 HydrophobicContact SD-CG2 4.49Å; I673-A705 HydrophobicContact CB-CB 4.08Å; I673-A705 HydrophobicContact CD1-CB 4.18Å; I673-L706 CarbonylContact C-O 3.56Å; I673-L706 WeakPolarHBondContact CA-O 3.29Å; I673-L707 HydrophobicContact CG2-CD2 3.88Å; I673-L738 HydrophobicContact CD1-CD1 3.53Å; I673-V756 CarbonylContact O-C 3.59Å; I673-V756 WeakPolarHBondContact O-CA 3.15Å; I673-Y757 WeakPolarHBondContact CG1-O 3.23Å; I673-Y757 PolarHBondContact N-O 3.06Å; I673-Y757 PolarHBondContact O-N 3.23Å; I673-F797 HydrophobicContact CD1-CD1 4.41Å; I673-F797 HydrophobicContact CD1-CE1 3.86Å
674R86.3Confident81.6Confident41 Ų4134.9 Ų34.916%0.15519%0.194CC..EExtended strand (participates in β ladder)trans-108.7120.9165.5-174.3-177.969.9176.12108.7E676 A705 L706 I708 V756 W810R674-E676 IonicContact NH2-OE1 2.89Å; R674-E676 PolarHBondContact O-N 3.25Å; R674-A705 CarbonylContact O-C 3.56Å; R674-A705 WeakPolarHBondContact O-CA 3.45Å; R674-L706 HydrophobicContact CB-CB 4.44Å; R674-L706 PolarHBondContact N-O 2.79Å; R674-L706 PolarHBondContact O-N 2.93Å; R674-I708 HydrophobicContact CB-CD1 3.98Å; R674-I708 HydrophobicContact CB-CG1 4.44Å; R674-V756 HydrophobicContact CB-CG2 4.26Å; R674-V756 HydrophobicContact CG-CG2 4.16Å; R674-W810 WeakPolarHBondContact CD-O 3.4Å; R674-W810 PolarHBondContact NH1-O 3.18Å
675V86.7Confident83.3Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-73.7120.5178.71780000108.5A703 L751 P753 G754 S755 Y757V675-A703 HydrophobicContact CG1-CB 4.41Å; V675-L751 HydrophobicContact CG2-CD2 4.46Å; V675-P753 CarbonylContact O-C 3.49Å; V675-P753 WeakPolarHBondContact O-CA 3.33Å; V675-G754 PolarHBondContact O-N 3.13Å; V675-S755 PolarHBondContact N-O 3.13Å; V675-S755 VanDerWaalsContact N-O 3.08Å; V675-Y757 HydrophobicContact CB-CE2 4.32Å; V675-Y757 HydrophobicContact CG2-CD2 3.68Å; V675-Y757 HydrophobicContact CG2-CE2 3.67Å
676E82.8Confident83.6Confident64 Ų6434.5 Ų34.530%0.29918%0.177SC..EExtended strand (participates in β ladder)trans-91.7-40.9178.2-65.4-163.6141.100111.9R674 T704 L706 K735R674-E676 IonicContact NH2-OE1 2.89Å; R674-E676 PolarHBondContact O-N 3.25Å; E676-T704 PolarHBondContact N-O 2.94Å; E676-L706 HydrophobicContact CG-CB 4.22Å; E676-K735 IonicContact OE1-NZ 2.71Å; E676-K735 VanDerWaalsContact OE2-CE 3.23Å; E676-K735 WeakPolarHBondContact OE2-CE 3.46Å; E676-K735 IonicContact OE2-NZ 3.27Å; E676-K735 PolarHBondContact OE2-NZ 3.01Å
677S81.8Confident82.6Confident59 Ų5936.5 Ų36.541%0.41320%0.196SC..EExtended strand (participates in β ladder)trans-148.4152.717770.50000110.9A703 T704S677-A703 CarbonylContact O-C 3.55Å; S677-A703 VanDerWaalsContact O-CA 3.28Å; S677-A703 WeakPolarHBondContact O-CA 3.4Å; S677-T704 PolarHBondContact N-O 3.06Å; S677-T704 PolarHBondContact O-N 3.11Å
678K86.4Confident80.7Confident10 Ų1038.2 Ų38.24%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-134.4126.1178.2-177.6-177.668.9-177.90108.8F701 A703 F748 L751 P753 C927K678-F701 HydrophobicContact CD-CD2 4.15Å; K678-F701 HydrophobicContact CD-CE2 3.84Å; K678-F701 HydrophobicContact CG-CD2 3.76Å; K678-F701 HydrophobicContact CG-CE2 3.81Å; K678-A703 HydrophobicContact CB-CB 4.44Å; K678-A703 HydrophobicContact CG-CB 4.42Å; K678-F748 HydrophobicContact CD-CD2 3.84Å; K678-F748 HydrophobicContact CD-CE2 3.9Å; K678-F748 HydrophobicContact CG-CD2 4.47Å; K678-F748 HydrophobicContact CG-CE2 4.32Å; K678-F748 PolarHBondContact NZ-O 3.3Å; K678-L751 HydrophobicContact CD-CB 4.26Å; K678-L751 WeakPolarHBondContact CD-O 3.3Å; K678-L751 VanDerWaalsContact CE-O 3.24Å; K678-L751 WeakPolarHBondContact CE-O 3.33Å; K678-L751 PolarHBondContact NZ-O 2.78Å; K678-P753 HydrophobicContact CB-CG 4.36Å; K678-C927 WeakPolarHBondContact O-CB 3.28Å
679G84.5Confident78.6Confident5 Ų541.8 Ų41.85%0.05224%0.238CC..PPolyproline II helixtrans-79.6156.4170.900000111.9S702 F748 V925G679-S702 PolarHBondContact N-O 3.03Å; G679-F748 WeakPolarHBondContact O-CE2 3.41Å; G679-V925 WeakPolarHBondContact CA-O 3.28Å
680G83.6Confident76.5Confident11 Ų1145.7 Ų45.711%0.11328%0.279CS..PPolyproline II helixtrans-67.5158.9174.600000112.7S926G680-S926 WeakPolarHBondContact CA-O 3.45Å; G680-S926 PolarHBondContact N-O 3.16Å
681V85.3Confident74Confident2 Ų249.4 Ų49.41%0.01231%0.305CS..PPolyproline II helixtrans-74.9129175-1670000109.6Q532 L699 G700 F701 F748 P892Q532-V681 HydrophobicContact CG-CB 4.11Å; Q532-V681 HydrophobicContact CG-CG2 3.81Å; V681-L699 HydrophobicContact CG1-CD1 3.58Å; V681-L699 HydrophobicContact CG1-CD2 3.89Å; V681-L699 HydrophobicContact CG1-CG 3.43Å; V681-L699 VanDerWaalsContact CG1-CG 3.43Å; V681-G700 WeakPolarHBondContact CA-O 3.33Å; V681-F701 HydrophobicContact CG2-CB 4.21Å; V681-F701 HydrophobicContact CG2-CD1 4.25Å; V681-F701 HydrophobicContact CG2-CG 4.48Å; V681-F748 HydrophobicContact CG2-CB 3.86Å; V681-F748 HydrophobicContact CG2-CD1 3.71Å; V681-F748 HydrophobicContact CG2-CD2 3.28Å; V681-F748 HydrophobicContact CG2-CE1 4.02Å; V681-F748 HydrophobicContact CG2-CE2 3.63Å; V681-F748 HydrophobicContact CG2-CG 3.31Å; V681-F748 HydrophobicContact CG2-CZ 3.98Å; V681-P892 WeakPolarHBondContact O-CD 3.34Å
682A84.2Confident71.6Confident10 Ų1055.8 Ų55.88%0.08335%0.349CS..EExtended strand (participates in β ladder)trans-142.2157.8179.500000110.6R684 G700 H890 T891A682-R684 HydrophobicContact CB-CG 4.44Å; A682-R684 PolarHBondContact O-N 3.08Å; A682-G700 PolarHBondContact N-O 2.9Å; A682-G700 PolarHBondContact O-N 3.17Å; A682-G700 VanDerWaalsContact O-O 3.08Å; A682-H890 WeakPolarHBondContact CA-O 3.49Å; A682-T891 HydrophobicContact CB-CG2 3.87Å
683W81.6Confident69.3Low116 Ų11664.2 Ų64.244%0.43939%0.388SS..EExtended strand (participates in β ladder)trans-74.3116.5167.4-68.299.9000108.9L697 L699 H890W683-L697 HydrophobicContact CB-CB 4.44Å; W683-L697 HydrophobicContact CE3-CB 4.1Å; W683-L699 HydrophobicContact CD2-CB 4.34Å; W683-L699 HydrophobicContact CD2-CD1 4.03Å; W683-L699 HydrophobicContact CE3-CB 4.12Å; W683-L699 HydrophobicContact CG-CD1 4.23Å; W683-L699 HydrophobicContact CH2-CB 4.19Å; W683-L699 HydrophobicContact CZ2-CB 4.4Å; W683-L699 HydrophobicContact CZ2-CD1 4.32Å; W683-L699 HydrophobicContact CZ3-CB 4.05Å; W683-H890 PolarHBondContact N-O 3.05Å
684R77.8Confident67.3Low81 Ų8166.7 Ų66.731%0.30641%0.414SS..EExtended strand (participates in β ladder)trans-121.3152.7-177.8-60.6-175.8-177.8-158.21.5110.1A682 A686 Q698 S702 P924A682-R684 HydrophobicContact CB-CG 4.44Å; A682-R684 PolarHBondContact O-N 3.08Å; R684-A686 PolarHBondContact O-N 3.04Å; R684-Q698 PolarHBondContact N-O 3.02Å; R684-Q698 PolarHBondContact O-N 3.39Å; R684-S702 PolarHBondContact NH1-OG 3.12Å; R684-P924 PolarHBondContact NH2-O 2.82Å
685N75.4Confident65.3Low134 Ų13469.6 Ų69.672%0.71745%0.447SS*.EExtended strand (participates in β ladder)trans-67.6121.5171.3-63.8-34.9000108.6V687 L697N685-V687 PolarHBondContact O-N 2.92Å; N685-L697 VanDerWaalsContact OD1-CD2 3.31Å; N685-L697 WeakPolarHBondContact OD1-CD2 3.28Å
686A62.3Low64.2Low26 Ų2671.4 Ų71.422%0.21547%0.465CS..  trans-74.4123.717500000109.7R684 I688 Q698R684-A686 PolarHBondContact O-N 3.04Å; A686-I688 HydrophobicContact CB-CG1 4.31Å; A686-I688 PolarHBondContact O-N 3.02Å; A686-I688 VanDerWaalsContact O-N 3.16Å; A686-Q698 HydrophobicContact CB-CB 4.34Å; A686-Q698 HydrophobicContact CB-CG 4Å
687V54.5Low63.8Low148 Ų14872.7 Ų72.790%0.89747%0.473SS*.  trans-8289.2168.4-176.10000107.1N685 G689N685-V687 PolarHBondContact O-N 2.92Å; V687-G689 PolarHBondContact O-N 2.93Å
688I47.3Very low63.7Low86 Ų8673.6 Ų73.644%0.44147%0.471SS..  trans-78.2114.4171.5-58.3175.6000106.8A686 G690 G694A686-I688 HydrophobicContact CB-CG1 4.31Å; A686-I688 PolarHBondContact O-N 3.02Å; A686-I688 VanDerWaalsContact O-N 3.16Å; I688-G690 PolarHBondContact O-N 2.65Å; I688-G690 VanDerWaalsContact O-N 3.1Å; I688-G694 WeakPolarHBondContact CD1-O 3.34Å
689G43.9Very low63.6Low76 Ų7673.9 Ų73.978%0.78447%0.473SS*.SBendtrans-61.5112.2172.500000110.7V687V687-G689 PolarHBondContact O-N 2.93Å
690G46.1Very low63.6Low83 Ų8373.8 Ų73.886%0.85647%0.472SS*.SBendtrans109.4-11149.700000119.5I688I688-G690 PolarHBondContact O-N 2.65Å; I688-G690 VanDerWaalsContact O-N 3.1Å
691S37.7Very low63.9Low78 Ų7873.4 Ų73.455%0.54547%0.467SS..  trans-145.4135.4170.272.30000112.9E693S691-E693 PolarHBondContact O-N 3.31Å
692C39.3Very low64Low141 Ų14174.1 Ų74.195%0.95347%0.472SS*.SBendtrans-74.917.7-177.6-64.40000114.1
693E39.8Very low64.3Low178 Ų17873.7 Ų73.783%0.83247%0.469SS*.SBendtrans-106.295.7176.5-72.5-169.4158.400109.6S691S691-E693 PolarHBondContact O-N 3.31Å
694G45.7Very low64.6Low52 Ų5269.4 Ų69.454%0.53646%0.455SS..  trans12137.6168.900000117I688 G696I688-G694 WeakPolarHBondContact CD1-O 3.34Å; G694-G696 PolarHBondContact O-N 3.44Å
695A45.4Very low65.1Low102 Ų10265.5 Ų65.584%0.84344%0.441SS*.  trans-70.188.9170.300000111.1
696G62.9Low65.6Low38 Ų3859.5 Ų59.539%0.39241%0.409SS..  trans-104155.8172.700000112.8G694 Q698G694-G696 PolarHBondContact O-N 3.44Å; G696-Q698 PolarHBondContact O-N 3.17Å
697L75.1Confident66.7Low90 Ų9058.9 Ų58.947%0.47140%0.402SS..EExtended strand (participates in β ladder)trans-68.2126.9167.6-72.4169.7000109.3W683 N685W683-L697 HydrophobicContact CB-CB 4.44Å; W683-L697 HydrophobicContact CE3-CB 4.1Å; N685-L697 VanDerWaalsContact OD1-CD2 3.31Å; N685-L697 WeakPolarHBondContact OD1-CD2 3.28Å
698Q79Confident68.1Low78 Ų7851.9 Ų51.936%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-117.2140.4173.1-71.5-171.7-0.600110.6R684 A686 G696R684-Q698 PolarHBondContact N-O 3.02Å; R684-Q698 PolarHBondContact O-N 3.39Å; A686-Q698 HydrophobicContact CB-CB 4.34Å; A686-Q698 HydrophobicContact CB-CG 4Å; G696-Q698 PolarHBondContact O-N 3.17Å
699L83.7Confident69.7Low16 Ų1648 Ų488%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-72.2129.9174.2-167.173.3000109.6T531 V681 W683 G742 P892T531-L699 HydrophobicContact CG2-CD2 3.91Å; T531-L699 VanDerWaalsContact OG1-CD2 3.29Å; T531-L699 WeakPolarHBondContact OG1-CD2 3.5Å; V681-L699 HydrophobicContact CG1-CD1 3.58Å; V681-L699 HydrophobicContact CG1-CD2 3.89Å; V681-L699 HydrophobicContact CG1-CG 3.43Å; V681-L699 VanDerWaalsContact CG1-CG 3.43Å; W683-L699 HydrophobicContact CD2-CB 4.34Å; W683-L699 HydrophobicContact CD2-CD1 4.03Å; W683-L699 HydrophobicContact CE3-CB 4.12Å; W683-L699 HydrophobicContact CG-CD1 4.23Å; W683-L699 HydrophobicContact CH2-CB 4.19Å; W683-L699 HydrophobicContact CZ2-CB 4.4Å; W683-L699 HydrophobicContact CZ2-CD1 4.32Å; W683-L699 HydrophobicContact CZ3-CB 4.05Å; L699-G742 PolarHBondContact O-N 3.06Å; L699-P892 HydrophobicContact CD1-CG 4.23Å
700G85.9Confident71.6Confident3 Ų346.6 Ų46.63%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-166.9168.2-178.100000113.9V681 A682 F740V681-G700 WeakPolarHBondContact CA-O 3.33Å; A682-G700 PolarHBondContact N-O 2.9Å; A682-G700 PolarHBondContact O-N 3.17Å; A682-G700 VanDerWaalsContact O-O 3.08Å; G700-F740 CarbonylContact C-O 3.52Å; G700-F740 WeakPolarHBondContact CA-O 3.39Å
701F88.5Confident73.6Confident3 Ų344.1 Ų44.11%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-143.3167.7173.475.7-81.3000110.4K678 V681 A703 F740 F748 L751K678-F701 HydrophobicContact CD-CD2 4.15Å; K678-F701 HydrophobicContact CD-CE2 3.84Å; K678-F701 HydrophobicContact CG-CD2 3.76Å; K678-F701 HydrophobicContact CG-CE2 3.81Å; V681-F701 HydrophobicContact CG2-CB 4.21Å; V681-F701 HydrophobicContact CG2-CD1 4.25Å; V681-F701 HydrophobicContact CG2-CG 4.48Å; F701-A703 HydrophobicContact CE2-CB 4.34Å; F701-F740 HydrophobicContact CD1-CB 3.77Å; F701-F740 HydrophobicContact CD1-CD2 4.36Å; F701-F740 HydrophobicContact CD1-CG 4.18Å; F701-F740 HydrophobicContact CD2-CD2 4.05Å; F701-F740 HydrophobicContact CE1-CB 3.58Å; F701-F740 HydrophobicContact CE1-CD1 4.06Å; F701-F740 AromaticContact CE1-CD2 3.93Å; F701-F740 HydrophobicContact CE1-CD2 3.93Å; F701-F740 AromaticContact CE1-CG 3.6Å; F701-F740 HydrophobicContact CE1-CG 3.6Å; F701-F740 AromaticContact CE2-CD2 3.58Å; F701-F740 HydrophobicContact CE2-CD2 3.58Å; F701-F740 AromaticContact CE2-CE2 3.76Å; F701-F740 HydrophobicContact CE2-CE2 3.76Å; F701-F740 HydrophobicContact CE2-CG 4.13Å; F701-F740 HydrophobicContact CE2-CZ 4.42Å; F701-F740 HydrophobicContact CG-CB 4.4Å; F701-F740 HydrophobicContact CG-CD2 4.4Å; F701-F740 HydrophobicContact CZ-CB 4.08Å; F701-F740 AromaticContact CZ-CD1 3.91Å; F701-F740 HydrophobicContact CZ-CD1 3.91Å; F701-F740 AromaticContact CZ-CD2 3.51Å; F701-F740 HydrophobicContact CZ-CD2 3.51Å; F701-F740 HydrophobicContact CZ-CE1 4.16Å; F701-F740 AromaticContact CZ-CE2 3.81Å; F701-F740 HydrophobicContact CZ-CE2 3.81Å; F701-F740 AromaticContact CZ-CG 3.57Å; F701-F740 HydrophobicContact CZ-CG 3.57Å; F701-F740 HydrophobicContact CZ-CZ 4.14Å; F701-F740 PolarHBondContact N-O 3.46Å; F701-F740 PolarHBondContact O-N 3.46Å; F701-F748 HydrophobicContact CB-CD2 4.37Å; F701-F748 HydrophobicContact CD1-CB 4Å; F701-F748 AromaticContact CD1-CD2 3.96Å; F701-F748 HydrophobicContact CD1-CD2 3.96Å; F701-F748 HydrophobicContact CD1-CG 4.44Å; F701-F748 AromaticContact CD2-CD2 3.98Å; F701-F748 HydrophobicContact CD2-CD2 3.98Å; F701-F748 HydrophobicContact CE1-CB 3.68Å; F701-F748 HydrophobicContact CE1-CD2 4.22Å; F701-F748 HydrophobicContact CE1-CG 4.47Å; F701-F748 HydrophobicContact CE2-CD2 4.25Å; F701-F748 AromaticContact CG-CD2 3.84Å; F701-F748 HydrophobicContact CG-CD2 3.84Å; F701-F748 HydrophobicContact CZ-CB 4.13Å; F701-F748 HydrophobicContact CZ-CD2 4.36Å; F701-L751 HydrophobicContact CE2-CD1 4.28Å; F701-L751 HydrophobicContact CZ-CD1 4.02Å
702S88.9Confident76Confident17 Ų1741.1 Ų41.112%0.11926%0.264CS..EExtended strand (participates in β ladder)trans-126.5142.1177.653.10000110.3G679 R684 L738G679-S702 PolarHBondContact N-O 3.03Å; R684-S702 PolarHBondContact NH1-OG 3.12Å; S702-L738 CarbonylContact C-O 3.56Å; S702-L738 VanDerWaalsContact CA-O 3.27Å; S702-L738 WeakPolarHBondContact CA-O 3.33Å
703A89.3Confident78.4Confident1 Ų141.1 Ų41.11%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-129.6135174.900000110.1V675 S677 K678 F701 L738 F740V675-A703 HydrophobicContact CG1-CB 4.41Å; S677-A703 CarbonylContact O-C 3.55Å; S677-A703 VanDerWaalsContact O-CA 3.28Å; S677-A703 WeakPolarHBondContact O-CA 3.4Å; K678-A703 HydrophobicContact CB-CB 4.44Å; K678-A703 HydrophobicContact CG-CB 4.42Å; F701-A703 HydrophobicContact CE2-CB 4.34Å; A703-L738 PolarHBondContact N-O 3.01Å; A703-L738 PolarHBondContact O-N 2.75Å; A703-F740 HydrophobicContact CB-CE2 4.13Å
704T87.8Confident80.5Confident26 Ų2633.8 Ų33.816%0.1621%0.208CC..EExtended strand (participates in β ladder)trans-90.9128.1171.7-54.50000108E676 S677 K735E676-T704 PolarHBondContact N-O 2.94Å; S677-T704 PolarHBondContact N-O 3.06Å; S677-T704 PolarHBondContact O-N 3.11Å; T704-K735 HydrophobicContact CG2-CD 4.44Å
705A88.2Confident82.2Confident0 Ų034 Ų340%021%0.21CC..EExtended strand (participates in β ladder)trans-130143.2-179.600000111.5I673 R674 K735 V736 L738I673-A705 HydrophobicContact CB-CB 4.08Å; I673-A705 HydrophobicContact CD1-CB 4.18Å; R674-A705 CarbonylContact O-C 3.56Å; R674-A705 WeakPolarHBondContact O-CA 3.45Å; A705-K735 WeakPolarHBondContact O-CA 3.41Å; A705-V736 HydrophobicContact CB-CG1 4.21Å; A705-V736 PolarHBondContact N-O 3.16Å; A705-V736 PolarHBondContact O-N 2.76Å; A705-L738 HydrophobicContact CB-CD1 4.16Å
706L86.8Confident83.9Confident8 Ų837.7 Ų37.74%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-87131.5171.3-176.571.9000109.1I673 R674 E676 E733 K735 W810I673-L706 CarbonylContact C-O 3.56Å; I673-L706 WeakPolarHBondContact CA-O 3.29Å; R674-L706 HydrophobicContact CB-CB 4.44Å; R674-L706 PolarHBondContact N-O 2.79Å; R674-L706 PolarHBondContact O-N 2.93Å; E676-L706 HydrophobicContact CG-CB 4.22Å; L706-E733 HydrophobicContact CD1-CB 4.47Å; L706-K735 HydrophobicContact CD1-CG 4.32Å; L706-W810 HydrophobicContact CD2-CE3 4.19Å; L706-W810 HydrophobicContact CD2-CH2 4.19Å; L706-W810 HydrophobicContact CD2-CZ3 3.84Å
707L85.8Confident84.8Confident13 Ų1337.9 Ų37.97%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-78122.9173.8-59-172.5000109.8M671 I673 E734 V736M671-L707 HydrophobicContact CE-CD1 4.43Å; M671-L707 HydrophobicContact CE-CD2 3.04Å; M671-L707 HydrophobicContact CE-CG 4.34Å; I673-L707 HydrophobicContact CG2-CD2 3.88Å; L707-E734 HydrophobicContact CB-CB 4.39Å; L707-E734 HydrophobicContact CD1-CB 3.91Å; L707-E734 HydrophobicContact CG-CB 4.3Å; L707-E734 WeakPolarHBondContact CG-O 3.45Å; L707-E734 PolarHBondContact N-O 3.35Å; L707-V736 HydrophobicContact CD2-CB 4.32Å; L707-V736 HydrophobicContact CD2-CG1 3.64Å; L707-V736 HydrophobicContact CG-CG1 4.3Å
708I83.7Confident85Confident1 Ų133.8 Ų33.81%0.00517%0.173CC..  trans-87.2-26.3-179.9-70.5166.4000112.1V672 R674 M723 N729 V756 L806 W810V672-I708 HydrophobicContact CB-CB 4.31Å; V672-I708 HydrophobicContact CG1-CB 4.14Å; V672-I708 HydrophobicContact CG1-CD1 3.73Å; V672-I708 HydrophobicContact CG1-CG1 4.48Å; V672-I708 HydrophobicContact CG1-CG2 4.44Å; V672-I708 PolarHBondContact O-N 3.38Å; R674-I708 HydrophobicContact CB-CD1 3.98Å; R674-I708 HydrophobicContact CB-CG1 4.44Å; I708-M723 HydrophobicContact CB-CE 4.44Å; I708-M723 HydrophobicContact CG2-CE 3.41Å; I708-M723 VanDerWaalsContact CG2-CE 3.41Å; I708-M723 HydrophobicContact CG2-SD 4.49Å; I708-N729 PolarHBondContact O-N 3.02Å; I708-V756 HydrophobicContact CD1-CB 4.47Å; I708-V756 HydrophobicContact CD1-CG1 3.58Å; I708-V756 HydrophobicContact CD1-CG2 4.07Å; I708-L806 HydrophobicContact CD1-CD1 4Å; I708-L806 HydrophobicContact CG2-CD2 3.7Å; I708-W810 HydrophobicContact CB-CZ3 4.37Å; I708-W810 HydrophobicContact CG1-CE3 4.12Å; I708-W810 HydrophobicContact CG1-CZ3 3.93Å; I708-W810 HydrophobicContact CG2-CZ3 4.44Å
709G80.8Confident85.1Confident3 Ų333.1 Ų33.13%0.03117%0.169CC..SBendtrans-166-171.2-177.200000113.2E727G709-E727 WeakPolarHBondContact CA-O 3.13Å
710P84.2Confident84.6Confident48 Ų4832.7 Ų32.731%0.31217%0.167SC..  trans-74.1168-178.632.3-35.2000112.2V712P710-V712 PolarHBondContact O-N 3.38Å
711V86.3Confident84.1Confident31 Ų3136.6 Ų36.619%0.18819%0.185CC..  trans-73124.9169.6-179.10000108.8V669 S670 M671 P767 L770 I771V669-V711 HydrophobicContact CB-CG1 3.94Å; V669-V711 HydrophobicContact CG2-CG1 4.4Å; S670-V711 CarbonylContact O-C 3.46Å; S670-V711 WeakPolarHBondContact O-CA 3.27Å; M671-V711 HydrophobicContact CB-CG2 4.33Å; V711-P767 HydrophobicContact CB-CB 4.12Å; V711-P767 HydrophobicContact CG1-CB 3.83Å; V711-L770 HydrophobicContact CG1-CB 4.35Å; V711-L770 HydrophobicContact CG1-CD1 4.1Å; V711-L770 HydrophobicContact CG2-CB 3.92Å; V711-I771 HydrophobicContact CG2-CG1 4.4Å
712V88.5Confident83.4Confident14 Ų1440.1 Ų40.19%0.08521%0.208CC..EExtended strand (participates in β ladder)trans-107.1141.1-177.51800000110.8V669 S670 P710 W714 K726 E727V669-V712 CarbonylContact C-O 3.47Å; V669-V712 VanDerWaalsContact CA-O 3.3Å; V669-V712 WeakPolarHBondContact CA-O 3.49Å; S670-V712 PolarHBondContact N-O 2.85Å; S670-V712 PolarHBondContact O-N 2.95Å; P710-V712 PolarHBondContact O-N 3.38Å; V712-W714 HydrophobicContact CG1-CD2 4.44Å; V712-W714 HydrophobicContact CG1-CZ2 3.94Å; V712-K726 HydrophobicContact CG1-CD 3.71Å; V712-K726 HydrophobicContact CG1-CG 4.21Å; V712-K726 HydrophobicContact CG2-CG 4.45Å; V712-K726 VanDerWaalsContact CG2-O 3.32Å; V712-K726 WeakPolarHBondContact CG2-O 3.42Å; V712-E727 HydrophobicContact CB-CG 4.38Å; V712-E727 HydrophobicContact CG2-CB 4.43Å; V712-E727 HydrophobicContact CG2-CG 3.8Å
713R89.3Confident82.8Confident141 Ų14140.2 Ų40.253%0.53221%0.206SC..EExtended strand (participates in β ladder)trans-94.8144.7176.8-67.3-174.7-177.292.3-9.8111.7V669 Q765 P767V669-R713 HydrophobicContact CG1-CG 4.11Å; R713-Q765 PolarHBondContact NE-O 2.87Å; R713-P767 VanDerWaalsContact NH2-CD 3.32Å; R713-P767 VanDerWaalsContact NH2-CG 3.33Å
714W85.6Confident82.4Confident24 Ų2443.7 Ų43.79%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-138.8140.6-179.3-54.389.3000111.7P667 C668 S670 V712 R716 P718 M724 E727 Q765P667-W714 WeakPolarHBondContact CA-O 3.18Å; C668-W714 PolarHBondContact N-O 3.25Å; C668-W714 PolarHBondContact O-N 2.85Å; S670-W714 PolarHBondContact OG-NE1 3.04Å; V712-W714 HydrophobicContact CG1-CD2 4.44Å; V712-W714 HydrophobicContact CG1-CZ2 3.94Å; W714-R716 VanDerWaalsContact C-N 3.26Å; W714-R716 WeakPolarHBondContact CB-O 3.31Å; W714-P718 HydrophobicContact CD2-CB 4.17Å; W714-P718 HydrophobicContact CD2-CG 3.84Å; W714-P718 HydrophobicContact CE3-CB 3.98Å; W714-P718 HydrophobicContact CE3-CG 4.19Å; W714-P718 HydrophobicContact CG-CG 4.27Å; W714-P718 HydrophobicContact CH2-CB 3.68Å; W714-P718 HydrophobicContact CH2-CG 4Å; W714-P718 HydrophobicContact CZ2-CB 4.01Å; W714-P718 HydrophobicContact CZ2-CG 3.78Å; W714-P718 HydrophobicContact CZ3-CB 3.72Å; W714-P718 HydrophobicContact CZ3-CG 4.24Å; W714-M724 HydrophobicContact CE3-CE 4.33Å; W714-M724 HydrophobicContact CH2-CE 2.96Å; W714-M724 HydrophobicContact CZ2-CE 4.13Å; W714-M724 HydrophobicContact CZ3-CE 3.07Å; W714-E727 HydrophobicContact CZ2-CG 4.27Å; W714-Q765 PolarHBondContact O-NE2 3.08Å
715G80.3Confident81.8Confident56 Ų5650 Ų5058%0.57725%0.251SS*.SBendtrans-73.1-21.4167.400000112.9S665S665-G715 PolarHBondContact OG-O 3.4Å
716R82.1Confident81.4Confident181 Ų18154.8 Ų54.868%0.68327%0.272SS*.SBendtrans-149.4143.8178.2-171178.5-173.8-173.95.6110.3W714 P718W714-R716 VanDerWaalsContact C-N 3.26Å; W714-R716 WeakPolarHBondContact CB-O 3.31Å; R716-P718 WeakPolarHBondContact O-CD 3.32Å; R716-P718 VanDerWaalsContact O-N 3.15Å
717D81.7Confident81.2Confident41 Ų4154.4 Ų54.422%0.21927%0.27CS..  trans-53.3117.2177.4-170.6-10.1000111.8C668 K719 H798C668-D717 WeakPolarHBondContact SG-CA 3.42Å; D717-K719 HydrophobicContact CB-CG 4.38Å; D717-K719 PolarHBondContact O-N 2.77Å; D717-K719 PolarHBondContact OD1-N 3.16Å; D717-H798 IonicContact OD1-CE1 3.31Å; D717-H798 PolarHBondContact OD1-CE1 3.29Å; D717-H798 IonicContact OD1-ND1 3.04Å; D717-H798 IonicContact OD2-CE1 2.79Å; D717-H798 PolarHBondContact OD2-CE1 2.88Å; D717-H798 IonicContact OD2-NE2 3.67Å
718P77.9Confident81Confident4 Ų455.3 Ų55.33%0.02628%0.276CS..  trans-69.5-11.7178.531.5-38.9000112.5W714 R716 N720 Q721W714-P718 HydrophobicContact CD2-CB 4.17Å; W714-P718 HydrophobicContact CD2-CG 3.84Å; W714-P718 HydrophobicContact CE3-CB 3.98Å; W714-P718 HydrophobicContact CE3-CG 4.19Å; W714-P718 HydrophobicContact CG-CG 4.27Å; W714-P718 HydrophobicContact CH2-CB 3.68Å; W714-P718 HydrophobicContact CH2-CG 4Å; W714-P718 HydrophobicContact CZ2-CB 4.01Å; W714-P718 HydrophobicContact CZ2-CG 3.78Å; W714-P718 HydrophobicContact CZ3-CB 3.72Å; W714-P718 HydrophobicContact CZ3-CG 4.24Å; R716-P718 WeakPolarHBondContact O-CD 3.32Å; R716-P718 VanDerWaalsContact O-N 3.15Å; P718-N720 PolarHBondContact O-N 3.28Å; P718-Q721 HydrophobicContact CB-CB 4.46Å; P718-Q721 WeakPolarHBondContact O-CB 3.47Å; P718-Q721 WeakPolarHBondContact O-CG 3.3Å; P718-Q721 PolarHBondContact O-N 2.99Å
719K81.9Confident80.7Confident64 Ų6458.1 Ų58.128%0.27829%0.291SS..THydrogen-bonded Turntrans50.3-132.1-179.4-59.6-176.7178.7-176.10111.5D717 Q721 R758 H798D717-K719 HydrophobicContact CB-CG 4.38Å; D717-K719 PolarHBondContact O-N 2.77Å; D717-K719 PolarHBondContact OD1-N 3.16Å; K719-Q721 VanDerWaalsContact C-N 3.27Å; K719-Q721 PolarHBondContact O-N 3.05Å; K719-R758 PolarHBondContact O-NH1 3.44Å; K719-H798 VanDerWaalsContact O-CB 3.32Å; K719-H798 WeakPolarHBondContact O-CB 3.47Å
720N73.9Confident79.9Confident8 Ų862 Ų624%0.04332%0.316CS..THydrogen-bonded Turntrans-87.122.2178.4-57.9-23.4000113.2A566 A625 P718 H798A566-N720 WeakPolarHBondContact CA-ND2 3.42Å; A566-N720 WeakPolarHBondContact CB-ND2 3.4Å; A625-N720 PolarHBondContact O-ND2 3.5Å; P718-N720 PolarHBondContact O-N 3.28Å; N720-H798 WeakPolarHBondContact OD1-CA 3.35Å; N720-H798 WeakPolarHBondContact OD1-CB 3.25Å; N720-H798 PolarHBondContact OD1-CD2 3.1Å
721Q73.9Confident78.8Confident85 Ų8568.4 Ų68.440%0.39734%0.341SS..PPolyproline II helixtrans-59.8153.8173.7-78.4177-4.500111.2T628 P718 K719 R758 L800T628-Q721 HydrophobicContact CG2-CG 4.42Å; P718-Q721 HydrophobicContact CB-CB 4.46Å; P718-Q721 WeakPolarHBondContact O-CB 3.47Å; P718-Q721 WeakPolarHBondContact O-CG 3.3Å; P718-Q721 PolarHBondContact O-N 2.99Å; K719-Q721 VanDerWaalsContact C-N 3.27Å; K719-Q721 PolarHBondContact O-N 3.05Å; Q721-R758 PolarHBondContact O-NH1 2.66Å; Q721-R758 PolarHBondContact O-NH2 3.02Å; Q721-R758 VanDerWaalsContact O-NH2 3.16Å; Q721-L800 WeakPolarHBondContact O-CD2 3.34Å
722P74.2Confident77.8Confident77 Ų7770.2 Ų70.250%0.535%0.345SS..PPolyproline II helixtrans-55.9157.8178.6-22.334.8000111.4I632 M724 R758I632-P722 HydrophobicContact CD1-CG 4.17Å; I632-P722 HydrophobicContact CG2-CG 4.18Å; P722-M724 PolarHBondContact O-N 3.03Å; P722-R758 PolarHBondContact O-NH2 2.9Å; P722-R758 VanDerWaalsContact O-NH2 3.08Å
723M77.6Confident76.7Confident18 Ų1876.7 Ų76.79%0.08937%0.374CS..PPolyproline II helixtrans-65.4135175.4-167.1172.1-174.300109.8V672 I708 E727 V728 L800 P803 L805 L806V672-M723 HydrophobicContact CB-CE 4Å; V672-M723 HydrophobicContact CG1-CE 3.89Å; V672-M723 HydrophobicContact CG1-SD 4.3Å; V672-M723 HydrophobicContact CG2-CE 4.07Å; I708-M723 HydrophobicContact CB-CE 4.44Å; I708-M723 HydrophobicContact CG2-CE 3.41Å; I708-M723 VanDerWaalsContact CG2-CE 3.41Å; I708-M723 HydrophobicContact CG2-SD 4.49Å; M723-E727 HydrophobicContact CE-CB 3.9Å; M723-E727 WeakPolarHBondContact CE-O 3.46Å; M723-E727 HydrophobicContact CG-CB 4.18Å; M723-V728 HydrophobicContact CE-CB 4.07Å; M723-V728 HydrophobicContact CE-CG2 3.26Å; M723-V728 HydrophobicContact CG-CG2 4.2Å; M723-V728 HydrophobicContact SD-CG2 3.84Å; M723-L800 HydrophobicContact CB-CD1 4.46Å; M723-P803 HydrophobicContact SD-CB 4.34Å; M723-L805 VanDerWaalsContact O-CD1 3.27Å; M723-L805 WeakPolarHBondContact O-CD1 3.4Å; M723-L806 HydrophobicContact SD-CG 4.44Å
724M79.1Confident76.3Confident74 Ų7474 Ų7437%0.36537%0.367SS..PPolyproline II helixtrans-100.2156.5173.1-73.6-158.7-84.900111.8W714 P722 K726 E727W714-M724 HydrophobicContact CE3-CE 4.33Å; W714-M724 HydrophobicContact CH2-CE 2.96Å; W714-M724 HydrophobicContact CZ2-CE 4.13Å; W714-M724 HydrophobicContact CZ3-CE 3.07Å; P722-M724 PolarHBondContact O-N 3.03Å; M724-K726 HydrophobicContact CB-CG 4.08Å; M724-K726 PolarHBondContact O-N 3.27Å; M724-E727 PolarHBondContact N-OE2 3.44Å; M724-E727 WeakPolarHBondContact O-CB 3.47Å; M724-E727 PolarHBondContact O-N 3.36Å
725E76.9Confident76.2Confident158 Ų15877.1 Ų77.174%0.73838%0.382SS*.G310 helixtrans-55.6-37.8-179.6-66.2-179.2172.100112.8E727 V728 L805E725-E727 PolarHBondContact O-N 2.94Å; E725-E727 VanDerWaalsContact O-N 3.08Å; E725-V728 PolarHBondContact O-N 3.05Å; E725-L805 HydrophobicContact CG-CD1 4.21Å; E725-L805 HydrophobicContact CG-CD2 4.38Å
726K79.7Confident76.5Confident101 Ų10174.6 Ų74.644%0.43936%0.355SS..G310 helixtrans-61.9-15.4175.664.4173.8178.8172.10114.8V712 M724V712-K726 HydrophobicContact CG1-CD 3.71Å; V712-K726 HydrophobicContact CG1-CG 4.21Å; V712-K726 HydrophobicContact CG2-CG 4.45Å; V712-K726 VanDerWaalsContact CG2-O 3.32Å; V712-K726 WeakPolarHBondContact CG2-O 3.42Å; M724-K726 HydrophobicContact CB-CG 4.08Å; M724-K726 PolarHBondContact O-N 3.27Å
727E82.3Confident76.8Confident1 Ų168.2 Ų68.21%0.00533%0.334CS..G310 helixtrans-94.2-4.4177.5-62.9-179.7109.400112.9V672 G709 V712 W714 M723 M724 E725 R758V672-E727 HydrophobicContact CG2-CB 3.86Å; V672-E727 HydrophobicContact CG2-CG 4.3Å; G709-E727 WeakPolarHBondContact CA-O 3.13Å; V712-E727 HydrophobicContact CB-CG 4.38Å; V712-E727 HydrophobicContact CG2-CB 4.43Å; V712-E727 HydrophobicContact CG2-CG 3.8Å; W714-E727 HydrophobicContact CZ2-CG 4.27Å; M723-E727 HydrophobicContact CE-CB 3.9Å; M723-E727 WeakPolarHBondContact CE-O 3.46Å; M723-E727 HydrophobicContact CG-CB 4.18Å; M724-E727 PolarHBondContact N-OE2 3.44Å; M724-E727 WeakPolarHBondContact O-CB 3.47Å; M724-E727 PolarHBondContact O-N 3.36Å; E725-E727 PolarHBondContact O-N 2.94Å; E725-E727 VanDerWaalsContact O-N 3.08Å; E727-R758 IonicContact OE1-CZ 2.69Å; E727-R758 IonicContact OE1-NE 2.8Å; E727-R758 PolarHBondContact OE1-NE 3.23Å; E727-R758 IonicContact OE1-NH2 2.66Å; E727-R758 PolarHBondContact OE1-NH2 3.47Å; E727-R758 IonicContact OE2-CZ 3.15Å; E727-R758 IonicContact OE2-NE 3.71Å; E727-R758 IonicContact OE2-NH2 3.3Å; E727-R758 PolarHBondContact OE2-NH2 3.4Å
728V80.9Confident77.1Confident32 Ų3266.2 Ų66.219%0.19432%0.324CS..  trans-108.2132-178.2-169.60000109.5M723 E725 L805 L806M723-V728 HydrophobicContact CE-CB 4.07Å; M723-V728 HydrophobicContact CE-CG2 3.26Å; M723-V728 HydrophobicContact CG-CG2 4.2Å; M723-V728 HydrophobicContact SD-CG2 3.84Å; E725-V728 PolarHBondContact O-N 3.05Å; V728-L805 HydrophobicContact CG2-CB 4.07Å; V728-L805 HydrophobicContact CG2-CD1 4.23Å; V728-L806 HydrophobicContact CG1-CD2 4.47Å
729N77.5Confident77.6Confident60 Ų6069.7 Ų69.732%0.32134%0.34SS..  trans-137.497.9162.4-175-3.7000109.6I708 E731 R732I708-N729 PolarHBondContact O-N 3.02Å; N729-E731 PolarHBondContact O-N 3.19Å; N729-E731 VanDerWaalsContact O-N 3.15Å; N729-E731 PolarHBondContact OD1-N 2.92Å; N729-R732 HydrophobicContact CB-CB 4.43Å; N729-R732 PolarHBondContact O-N 3.04Å
730P64Low78Confident84 Ų8466.9 Ų66.955%0.54533%0.327SS..THydrogen-bonded Turntrans-68.6-13.2-172.229.2-34.4000113.8R732P730-R732 VanDerWaalsContact C-N 3.34Å
731E61.3Low78.5Confident182 Ų18268.3 Ų68.385%0.8534%0.338SS*.THydrogen-bonded Turntrans-86.2-5.9179.1-60.1-173.3168.500113.1N729N729-E731 PolarHBondContact O-N 3.19Å; N729-E731 VanDerWaalsContact O-N 3.15Å; N729-E731 PolarHBondContact OD1-N 2.92Å
732R65.5Low78.9Confident70 Ų7065.8 Ų65.826%0.26433%0.334SS..  trans-106.6108.2-174.1-164.8176.5-174.6-160.2-2.5111.3N729 P730 E734N729-R732 HydrophobicContact CB-CB 4.43Å; N729-R732 PolarHBondContact O-N 3.04Å; P730-R732 VanDerWaalsContact C-N 3.34Å; R732-E734 HydrophobicContact CG-CG 4.23Å; R732-E734 IonicContact CZ-OE1 3.43Å; R732-E734 IonicContact CZ-OE2 3.39Å; R732-E734 IonicContact NE-OE1 2.82Å; R732-E734 PolarHBondContact NE-OE1 2.86Å; R732-E734 IonicContact NE-OE2 3.38Å; R732-E734 PolarHBondContact NE-OE2 3.16Å; R732-E734 VanDerWaalsContact NH2-CD 3.31Å; R732-E734 IonicContact NH2-OE1 3.18Å; R732-E734 PolarHBondContact NH2-OE1 3.26Å; R732-E734 IonicContact NH2-OE2 2.72Å; R732-E734 PolarHBondContact NH2-OE2 3.46Å
733E66.1Low79.3Confident150 Ų15064.6 Ų64.670%0.70133%0.326SS*.  trans-110.766.8174.1-67.8-171.716800111.1L706 W810L706-E733 HydrophobicContact CD1-CB 4.47Å; E733-W810 HydrophobicContact CG-CZ2 4.36Å
734E79.4Confident79.7Confident83 Ų8363.8 Ų63.839%0.38832%0.322SS..  trans-98.6136.1176.5-79.7175-141.300111.4L707 R732L707-E734 HydrophobicContact CB-CB 4.39Å; L707-E734 HydrophobicContact CD1-CB 3.91Å; L707-E734 HydrophobicContact CG-CB 4.3Å; L707-E734 WeakPolarHBondContact CG-O 3.45Å; L707-E734 PolarHBondContact N-O 3.35Å; R732-E734 HydrophobicContact CG-CG 4.23Å; R732-E734 IonicContact CZ-OE1 3.43Å; R732-E734 IonicContact CZ-OE2 3.39Å; R732-E734 IonicContact NE-OE1 2.82Å; R732-E734 PolarHBondContact NE-OE1 2.86Å; R732-E734 IonicContact NE-OE2 3.38Å; R732-E734 PolarHBondContact NE-OE2 3.16Å; R732-E734 VanDerWaalsContact NH2-CD 3.31Å; R732-E734 IonicContact NH2-OE1 3.18Å; R732-E734 PolarHBondContact NH2-OE1 3.26Å; R732-E734 IonicContact NH2-OE2 2.72Å; R732-E734 PolarHBondContact NH2-OE2 3.46Å
735K84.2Confident80.1Confident91 Ų9160.9 Ų60.940%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-100.5140.1173.7-61.6-168-175.4-1580111.3E676 T704 A705 L706 S787E676-K735 IonicContact OE1-NZ 2.71Å; E676-K735 VanDerWaalsContact OE2-CE 3.23Å; E676-K735 WeakPolarHBondContact OE2-CE 3.46Å; E676-K735 IonicContact OE2-NZ 3.27Å; E676-K735 PolarHBondContact OE2-NZ 3.01Å; T704-K735 HydrophobicContact CG2-CD 4.44Å; A705-K735 WeakPolarHBondContact O-CA 3.41Å; L706-K735 HydrophobicContact CD1-CG 4.32Å; K735-S787 PolarHBondContact O-OG 2.92Å
736V86.3Confident80.5Confident2 Ų254.9 Ų54.91%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-126.9137175.468.10000110.1A705 L707 L738 S787 L789A705-V736 HydrophobicContact CB-CG1 4.21Å; A705-V736 PolarHBondContact N-O 3.16Å; A705-V736 PolarHBondContact O-N 2.76Å; L707-V736 HydrophobicContact CD2-CB 4.32Å; L707-V736 HydrophobicContact CD2-CG1 3.64Å; L707-V736 HydrophobicContact CG-CG1 4.3Å; V736-L738 HydrophobicContact CG1-CD2 4.05Å; V736-L738 HydrophobicContact CG1-CG 4.36Å; V736-L738 HydrophobicContact CG2-CD2 4.27Å; V736-S787 CarbonylContact C-O 3.53Å; V736-S787 WeakPolarHBondContact CA-O 3.16Å; V736-S787 WeakPolarHBondContact CG2-O 3.2Å; V736-L789 HydrophobicContact CG2-CB 3.85Å
737L87.9Confident80.9Confident47 Ų4750.7 Ų50.725%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-93.1108.2171.4-177.767.6000109.5S787 S788 L789L737-S787 PolarHBondContact N-O 3.38Å; L737-S788 WeakPolarHBondContact O-CA 3.24Å; L737-L789 PolarHBondContact O-N 2.84Å
738L89.3Confident81.2Confident0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-84.6122.6175.7-57.6180000110.1I673 S702 A703 A705 V736 F740 L789 V791 F797I673-L738 HydrophobicContact CD1-CD1 3.53Å; S702-L738 CarbonylContact C-O 3.56Å; S702-L738 VanDerWaalsContact CA-O 3.27Å; S702-L738 WeakPolarHBondContact CA-O 3.33Å; A703-L738 PolarHBondContact N-O 3.01Å; A703-L738 PolarHBondContact O-N 2.75Å; A705-L738 HydrophobicContact CB-CD1 4.16Å; V736-L738 HydrophobicContact CG1-CD2 4.05Å; V736-L738 HydrophobicContact CG1-CG 4.36Å; V736-L738 HydrophobicContact CG2-CD2 4.27Å; L738-F740 HydrophobicContact CB-CD2 4.4Å; L738-F740 HydrophobicContact CB-CE2 3.55Å; L738-F740 HydrophobicContact CB-CZ 4.02Å; L738-F740 HydrophobicContact CD1-CE2 4.49Å; L738-F740 HydrophobicContact CD1-CZ 4.27Å; L738-L789 WeakPolarHBondContact CA-O 3.13Å; L738-L789 HydrophobicContact CD2-CB 4.05Å; L738-L789 HydrophobicContact CD2-CD2 3.85Å; L738-L789 HydrophobicContact CD2-CG 4.39Å; L738-V791 HydrophobicContact CB-CG2 4.22Å; L738-F797 HydrophobicContact CD1-CE1 4.37Å
739Q88.6Confident81.3Confident77 Ų7750.6 Ų50.636%0.3626%0.259SS..EExtended strand (participates in β ladder)trans-105.8123.4178-63.8-176.74.900110.5L789 V791Q739-L789 PolarHBondContact N-O 2.9Å; Q739-V791 WeakPolarHBondContact O-CB 3.32Å; Q739-V791 PolarHBondContact O-N 3.25Å
740F88.6Confident81.6Confident5 Ų547.8 Ų47.82%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-114124.9179.6-58.1-100.9000109G700 F701 A703 L738 S744 W747 L751 V791 F797G700-F740 CarbonylContact C-O 3.52Å; G700-F740 WeakPolarHBondContact CA-O 3.39Å; F701-F740 HydrophobicContact CD1-CB 3.77Å; F701-F740 HydrophobicContact CD1-CD2 4.36Å; F701-F740 HydrophobicContact CD1-CG 4.18Å; F701-F740 HydrophobicContact CD2-CD2 4.05Å; F701-F740 HydrophobicContact CE1-CB 3.58Å; F701-F740 HydrophobicContact CE1-CD1 4.06Å; F701-F740 AromaticContact CE1-CD2 3.93Å; F701-F740 HydrophobicContact CE1-CD2 3.93Å; F701-F740 AromaticContact CE1-CG 3.6Å; F701-F740 HydrophobicContact CE1-CG 3.6Å; F701-F740 AromaticContact CE2-CD2 3.58Å; F701-F740 HydrophobicContact CE2-CD2 3.58Å; F701-F740 AromaticContact CE2-CE2 3.76Å; F701-F740 HydrophobicContact CE2-CE2 3.76Å; F701-F740 HydrophobicContact CE2-CG 4.13Å; F701-F740 HydrophobicContact CE2-CZ 4.42Å; F701-F740 HydrophobicContact CG-CB 4.4Å; F701-F740 HydrophobicContact CG-CD2 4.4Å; F701-F740 HydrophobicContact CZ-CB 4.08Å; F701-F740 AromaticContact CZ-CD1 3.91Å; F701-F740 HydrophobicContact CZ-CD1 3.91Å; F701-F740 AromaticContact CZ-CD2 3.51Å; F701-F740 HydrophobicContact CZ-CD2 3.51Å; F701-F740 HydrophobicContact CZ-CE1 4.16Å; F701-F740 AromaticContact CZ-CE2 3.81Å; F701-F740 HydrophobicContact CZ-CE2 3.81Å; F701-F740 AromaticContact CZ-CG 3.57Å; F701-F740 HydrophobicContact CZ-CG 3.57Å; F701-F740 HydrophobicContact CZ-CZ 4.14Å; F701-F740 PolarHBondContact N-O 3.46Å; F701-F740 PolarHBondContact O-N 3.46Å; A703-F740 HydrophobicContact CB-CE2 4.13Å; L738-F740 HydrophobicContact CB-CD2 4.4Å; L738-F740 HydrophobicContact CB-CE2 3.55Å; L738-F740 HydrophobicContact CB-CZ 4.02Å; L738-F740 HydrophobicContact CD1-CE2 4.49Å; L738-F740 HydrophobicContact CD1-CZ 4.27Å; F740-S744 WeakPolarHBondContact CA-OG 3.13Å; F740-S744 WeakPolarHBondContact CD1-O 3.45Å; F740-W747 HydrophobicContact CD1-CB 4.49Å; F740-W747 HydrophobicContact CE1-CB 4.23Å; F740-L751 HydrophobicContact CE1-CD1 3.85Å; F740-L751 HydrophobicContact CE2-CD1 4.1Å; F740-L751 HydrophobicContact CZ-CD1 3.4Å; F740-V791 HydrophobicContact CD1-CB 3.94Å; F740-V791 HydrophobicContact CD1-CG1 3.97Å; F740-V791 HydrophobicContact CD1-CG2 4.01Å; F740-V791 HydrophobicContact CE1-CB 4.06Å; F740-V791 HydrophobicContact CE1-CG1 3.89Å; F740-V791 HydrophobicContact CE1-CG2 3.75Å; F740-V791 HydrophobicContact CE2-CG2 4.27Å; F740-V791 HydrophobicContact CG-CB 4.47Å; F740-V791 HydrophobicContact CG-CG2 4.41Å; F740-V791 HydrophobicContact CZ-CG2 3.88Å; F740-F797 AromaticContact CE1-CE2 3.62Å; F740-F797 HydrophobicContact CE1-CE2 3.62Å; F740-F797 AromaticContact CE1-CZ 3.55Å; F740-F797 HydrophobicContact CE1-CZ 3.55Å; F740-F797 HydrophobicContact CZ-CE1 4.36Å; F740-F797 HydrophobicContact CZ-CE2 4.18Å; F740-F797 AromaticContact CZ-CZ 3.62Å; F740-F797 HydrophobicContact CZ-CZ 3.62Å
741S85.5Confident82.7Confident38 Ų3843.8 Ų43.827%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-140.4146.9178.264.60000111.6V743 S744 Q790S741-V743 PolarHBondContact O-N 2.91Å; S741-S744 PolarHBondContact N-OG 3Å; S741-S744 PolarHBondContact O-N 2.87Å; S741-S744 PolarHBondContact O-OG 3.25Å; S741-Q790 PolarHBondContact OG-NE2 3.08Å
742G82.9Confident83.7Confident31 Ų3135.9 Ų35.932%0.3218%0.181SC..G310 helixtrans58.6-124.2-178.100000111.2L699 S744 S745L699-G742 PolarHBondContact O-N 3.06Å; G742-S744 PolarHBondContact O-N 2.93Å; G742-S745 VanDerWaalsContact O-CB 3.27Å; G742-S745 WeakPolarHBondContact O-CB 3.46Å; G742-S745 PolarHBondContact O-N 3.08Å; G742-S745 PolarHBondContact O-OG 3.01Å
743V82.3Confident84.4Confident53 Ų5333.7 Ų33.732%0.32118%0.176SC..G310 helixtrans-62.1-26.1-174.8-156.20000113.6E526 S741 S745 R746 P793E526-V743 HydrophobicContact CG-CG1 4.39Å; E526-V743 VanDerWaalsContact OE1-CG1 3.25Å; E526-V743 WeakPolarHBondContact OE1-CG1 3.34Å; E526-V743 WeakPolarHBondContact OE1-CG2 3.11Å; S741-V743 PolarHBondContact O-N 2.91Å; V743-S745 VanDerWaalsContact C-N 3.25Å; V743-S745 PolarHBondContact O-N 2.89Å; V743-R746 WeakPolarHBondContact O-CD 3.46Å; V743-R746 VanDerWaalsContact O-CG 3.26Å; V743-R746 WeakPolarHBondContact O-CG 3.39Å; V743-R746 PolarHBondContact O-NH1 3.4Å; V743-P793 HydrophobicContact CB-CB 4.14Å; V743-P793 HydrophobicContact CG2-CB 4.39Å
744S85.9Confident84.8Confident1 Ų127.4 Ų27.41%0.00715%0.152CC..G310 helixtrans-76.5-12.8178.760.80000112.7F740 S741 G742 R746 W747 V791F740-S744 WeakPolarHBondContact CA-OG 3.13Å; F740-S744 WeakPolarHBondContact CD1-O 3.45Å; S741-S744 PolarHBondContact N-OG 3Å; S741-S744 PolarHBondContact O-N 2.87Å; S741-S744 PolarHBondContact O-OG 3.25Å; G742-S744 PolarHBondContact O-N 2.93Å; S744-R746 PolarHBondContact O-N 2.8Å; S744-R746 VanDerWaalsContact O-N 3.16Å; S744-W747 VanDerWaalsContact O-CD1 3.27Å; S744-W747 PolarHBondContact O-N 3.18Å; S744-V791 PolarHBondContact OG-O 2.58Å
745S86.4Confident84.9Confident13 Ų1324.4 Ų24.49%0.09114%0.14CC..G310 helixtrans-62.3-20.3173.767.10000113.7G742 V743 W747 F748G742-S745 VanDerWaalsContact O-CB 3.27Å; G742-S745 WeakPolarHBondContact O-CB 3.46Å; G742-S745 PolarHBondContact O-N 3.08Å; G742-S745 PolarHBondContact O-OG 3.01Å; V743-S745 VanDerWaalsContact C-N 3.25Å; V743-S745 PolarHBondContact O-N 2.89Å; S745-W747 PolarHBondContact O-N 3.21Å; S745-F748 VanDerWaalsContact O-CB 3.29Å; S745-F748 WeakPolarHBondContact O-CB 3.32Å; S745-F748 PolarHBondContact O-N 2.87Å
746R86.2Confident84.9Confident32 Ų3220.6 Ų20.612%0.12112%0.124CC..G310 helixtrans-55.9-20.6177.474.5-178.5-178.2-98.63.3114.7L523 P524 V743 S744 F748 P749 P793L523-R746 HydrophobicContact CB-CB 4.42Å; L523-R746 HydrophobicContact CD1-CG 4.14Å; L523-R746 WeakPolarHBondContact CD2-O 3.26Å; P524-R746 HydrophobicContact CG-CB 4.28Å; V743-R746 WeakPolarHBondContact O-CD 3.46Å; V743-R746 VanDerWaalsContact O-CG 3.26Å; V743-R746 WeakPolarHBondContact O-CG 3.39Å; V743-R746 PolarHBondContact O-NH1 3.4Å; S744-R746 PolarHBondContact O-N 2.8Å; S744-R746 VanDerWaalsContact O-N 3.16Å; R746-F748 VanDerWaalsContact C-N 3.26Å; R746-F748 PolarHBondContact O-N 2.95Å; R746-P749 WeakPolarHBondContact O-CD 3.38Å; R746-P793 PolarHBondContact NH1-O 3.32Å; R746-P793 PolarHBondContact NH2-O 3.05Å
747W87.6Confident84.9Confident13 Ų1320.5 Ų20.55%0.04912%0.124CC..G310 helixtrans-78.3-9.2179.6-65.3113.7000113.3L523 T565 F740 S744 S745 L750 L751 F797L523-W747 HydrophobicContact CD1-CD2 4.29Å; L523-W747 HydrophobicContact CD1-CE3 3.9Å; L523-W747 HydrophobicContact CD1-CH2 4.02Å; L523-W747 HydrophobicContact CD1-CZ2 4.39Å; L523-W747 HydrophobicContact CD1-CZ3 3.77Å; T565-W747 HydrophobicContact CG2-CZ3 4.29Å; F740-W747 HydrophobicContact CD1-CB 4.49Å; F740-W747 HydrophobicContact CE1-CB 4.23Å; S744-W747 VanDerWaalsContact O-CD1 3.27Å; S744-W747 PolarHBondContact O-N 3.18Å; S745-W747 PolarHBondContact O-N 3.21Å; W747-L750 HydrophobicContact CE3-CD1 4.03Å; W747-L750 HydrophobicContact CZ3-CD1 4.02Å; W747-L750 PolarHBondContact O-N 2.81Å; W747-L750 VanDerWaalsContact O-N 3.15Å; W747-L751 HydrophobicContact CB-CD1 4.19Å; W747-L751 HydrophobicContact CB-CG 4.38Å; W747-L751 PolarHBondContact O-N 2.93Å; W747-L751 VanDerWaalsContact O-N 3.13Å; W747-F797 AromaticContact CD1-CD2 3.95Å; W747-F797 AromaticContact CD1-CE2 3.98Å; W747-F797 HydrophobicContact CD2-CB 4.45Å; W747-F797 AromaticContact CD2-CD2 3.7Å; W747-F797 HydrophobicContact CD2-CD2 3.7Å; W747-F797 HydrophobicContact CD2-CE2 4.46Å; W747-F797 HydrophobicContact CD2-CG 4.46Å; W747-F797 AromaticContact CE2-CD2 3.79Å; W747-F797 HydrophobicContact CE3-CB 4.04Å; W747-F797 HydrophobicContact CE3-CD2 4.15Å; W747-F797 HydrophobicContact CE3-CG 4.5Å; W747-F797 AromaticContact CG-CD2 3.85Å; W747-F797 HydrophobicContact CG-CD2 3.85Å; W747-F797 HydrophobicContact CG-CE2 4.17Å; W747-F797 HydrophobicContact CH2-CB 4.44Å; W747-F797 HydrophobicContact CZ2-CD2 4.33Å; W747-F797 HydrophobicContact CZ3-CB 4.04Å; W747-F797 AromaticContact NE1-CD2 3.91Å
748F88Confident85Confident13 Ų1318.2 Ų18.26%0.05711%0.112CC..THydrogen-bonded Turntrans-50.7-48.9-178.9-179-100.2000115.4Q532 K678 G679 V681 F701 S745 R746 L750Q532-F748 HydrophobicContact CB-CD1 3.82Å; Q532-F748 HydrophobicContact CB-CE1 3.93Å; Q532-F748 HydrophobicContact CG-CD1 4.01Å; Q532-F748 HydrophobicContact CG-CE1 4.03Å; K678-F748 HydrophobicContact CD-CD2 3.84Å; K678-F748 HydrophobicContact CD-CE2 3.9Å; K678-F748 HydrophobicContact CG-CD2 4.47Å; K678-F748 HydrophobicContact CG-CE2 4.32Å; K678-F748 PolarHBondContact NZ-O 3.3Å; G679-F748 WeakPolarHBondContact O-CE2 3.41Å; V681-F748 HydrophobicContact CG2-CB 3.86Å; V681-F748 HydrophobicContact CG2-CD1 3.71Å; V681-F748 HydrophobicContact CG2-CD2 3.28Å; V681-F748 HydrophobicContact CG2-CE1 4.02Å; V681-F748 HydrophobicContact CG2-CE2 3.63Å; V681-F748 HydrophobicContact CG2-CG 3.31Å; V681-F748 HydrophobicContact CG2-CZ 3.98Å; F701-F748 HydrophobicContact CB-CD2 4.37Å; F701-F748 HydrophobicContact CD1-CB 4Å; F701-F748 AromaticContact CD1-CD2 3.96Å; F701-F748 HydrophobicContact CD1-CD2 3.96Å; F701-F748 HydrophobicContact CD1-CG 4.44Å; F701-F748 AromaticContact CD2-CD2 3.98Å; F701-F748 HydrophobicContact CD2-CD2 3.98Å; F701-F748 HydrophobicContact CE1-CB 3.68Å; F701-F748 HydrophobicContact CE1-CD2 4.22Å; F701-F748 HydrophobicContact CE1-CG 4.47Å; F701-F748 HydrophobicContact CE2-CD2 4.25Å; F701-F748 AromaticContact CG-CD2 3.84Å; F701-F748 HydrophobicContact CG-CD2 3.84Å; F701-F748 HydrophobicContact CZ-CB 4.13Å; F701-F748 HydrophobicContact CZ-CD2 4.36Å; S745-F748 VanDerWaalsContact O-CB 3.29Å; S745-F748 WeakPolarHBondContact O-CB 3.32Å; S745-F748 PolarHBondContact O-N 2.87Å; R746-F748 VanDerWaalsContact C-N 3.26Å; R746-F748 PolarHBondContact O-N 2.95Å; F748-L750 VanDerWaalsContact C-N 3.28Å; F748-L750 PolarHBondContact O-N 3.35Å
749P84.5Confident85.1Confident17 Ų1718.2 Ų18.211%0.1111%0.112CC..THydrogen-bonded Turntrans-65.9-26.2-179.322.4-33.4000114.1L523 P524 L534 R746 Q752L523-P749 HydrophobicContact CD2-CG 4.48Å; P524-P749 HydrophobicContact CG-CG 4.42Å; L534-P749 HydrophobicContact CD2-CB 4.37Å; L534-P749 HydrophobicContact CD2-CG 4.12Å; L534-P749 HydrophobicContact CG-CB 4.24Å; L534-P749 HydrophobicContact CG-CG 4.45Å; R746-P749 WeakPolarHBondContact O-CD 3.38Å; P749-Q752 PolarHBondContact O-NE2 3.13Å
750L83.5Confident85.1Confident1 Ų114.6 Ų14.61%0.00510%0.095CC..THydrogen-bonded Turntrans-89.1-34-176.2-63-175.2000113.2L523 L534 F562 T565 W747 F748 Q752 Y757L523-L750 HydrophobicContact CD1-CD1 4.45Å; L523-L750 HydrophobicContact CD2-CD1 3.41Å; L523-L750 VanDerWaalsContact CD2-CD1 3.41Å; L523-L750 HydrophobicContact CD2-CG 3.72Å; L523-L750 HydrophobicContact CG-CD1 4.28Å; L534-L750 HydrophobicContact CD2-CD2 4.11Å; F562-L750 HydrophobicContact CD1-CD2 3.68Å; F562-L750 HydrophobicContact CE1-CD2 3.35Å; F562-L750 HydrophobicContact CZ-CD2 4.47Å; T565-L750 HydrophobicContact CG2-CB 4.22Å; T565-L750 HydrophobicContact CG2-CD1 3.61Å; T565-L750 HydrophobicContact CG2-CG 4.47Å; W747-L750 HydrophobicContact CE3-CD1 4.03Å; W747-L750 HydrophobicContact CZ3-CD1 4.02Å; W747-L750 PolarHBondContact O-N 2.81Å; W747-L750 VanDerWaalsContact O-N 3.15Å; F748-L750 VanDerWaalsContact C-N 3.28Å; F748-L750 PolarHBondContact O-N 3.35Å; L750-Q752 PolarHBondContact O-N 3.37Å; L750-Q752 VanDerWaalsContact O-N 3.12Å; L750-Y757 PolarHBondContact O-OH 3.48Å
751L86.8Confident85.2Confident0 Ų014.3 Ų14.30%09%0.094CC..  trans-76103.4-177.6-66.6-179.5000110.6V675 K678 F701 F740 W747 Y757 F797V675-L751 HydrophobicContact CG2-CD2 4.46Å; K678-L751 HydrophobicContact CD-CB 4.26Å; K678-L751 WeakPolarHBondContact CD-O 3.3Å; K678-L751 VanDerWaalsContact CE-O 3.24Å; K678-L751 WeakPolarHBondContact CE-O 3.33Å; K678-L751 PolarHBondContact NZ-O 2.78Å; F701-L751 HydrophobicContact CE2-CD1 4.28Å; F701-L751 HydrophobicContact CZ-CD1 4.02Å; F740-L751 HydrophobicContact CE1-CD1 3.85Å; F740-L751 HydrophobicContact CE2-CD1 4.1Å; F740-L751 HydrophobicContact CZ-CD1 3.4Å; W747-L751 HydrophobicContact CB-CD1 4.19Å; W747-L751 HydrophobicContact CB-CG 4.38Å; W747-L751 PolarHBondContact O-N 2.93Å; W747-L751 VanDerWaalsContact O-N 3.13Å; L751-Y757 HydrophobicContact CD2-CD1 3.99Å; L751-Y757 HydrophobicContact CD2-CD2 3.91Å; L751-Y757 HydrophobicContact CD2-CE1 3.96Å; L751-Y757 HydrophobicContact CD2-CE2 3.89Å; L751-Y757 HydrophobicContact CD2-CG 3.97Å; L751-F797 HydrophobicContact CD1-CE1 4.4Å; L751-F797 HydrophobicContact CD2-CD1 3.82Å; L751-F797 HydrophobicContact CD2-CE1 4.23Å; L751-F797 HydrophobicContact CD2-CG 4.22Å
752Q81.5Confident85.3Confident16 Ų1613.9 Ų13.98%0.0759%0.09CC..  trans-103.5137.3173.7-57.4-55.8-30.600111.4V561 N563 P749 L750 S755 Y757V561-Q752 HydrophobicContact CB-CG 4.04Å; V561-Q752 HydrophobicContact CG1-CG 4.12Å; N563-Q752 HydrophobicContact CB-CB 4.27Å; N563-Q752 HydrophobicContact CB-CG 3.99Å; P749-Q752 PolarHBondContact O-NE2 3.13Å; L750-Q752 PolarHBondContact O-N 3.37Å; L750-Q752 VanDerWaalsContact O-N 3.12Å; Q752-S755 WeakPolarHBondContact O-CB 3.28Å; Q752-S755 PolarHBondContact O-N 3.28Å; Q752-Y757 PolarHBondContact N-OH 3.17Å
753P80.4Confident85.4Confident24 Ų2416.8 Ų16.816%0.15610%0.098CC..THydrogen-bonded Turntrans-56.7145.3170.4-20.431.7000111.7V675 K678 S755 W815V675-P753 CarbonylContact O-C 3.49Å; V675-P753 WeakPolarHBondContact O-CA 3.33Å; K678-P753 HydrophobicContact CB-CG 4.36Å; P753-S755 PolarHBondContact O-N 3.02Å; P753-W815 HydrophobicContact CB-CH2 3.75Å; P753-W815 HydrophobicContact CB-CZ2 4.42Å; P753-W815 HydrophobicContact CB-CZ3 4.39Å; P753-W815 HydrophobicContact CG-CH2 4.13Å
754G75.3Confident85.5Confident19 Ų1915.7 Ų15.720%0.1969%0.092CC..THydrogen-bonded Turntrans84.1-17.4-176.200000115.4V675V675-G754 PolarHBondContact O-N 3.13Å
755S80.3Confident85.4Confident19 Ų1919.2 Ų19.213%0.13311%0.108CC..  trans-85.6152.6179.6-61.50000112.3N563 V675 Q752 P753 Y757N563-S755 PolarHBondContact ND2-OG 2.92Å; N563-S755 VanDerWaalsContact ND2-OG 3.11Å; V675-S755 PolarHBondContact N-O 3.13Å; V675-S755 VanDerWaalsContact N-O 3.08Å; Q752-S755 WeakPolarHBondContact O-CB 3.28Å; Q752-S755 PolarHBondContact O-N 3.28Å; P753-S755 PolarHBondContact O-N 3.02Å; S755-Y757 VanDerWaalsContact CB-CE2 3.49Å; S755-Y757 WeakPolarHBondContact CB-OH 3.49Å; S755-Y757 WeakPolarHBondContact O-CE2 3.47Å
756V85Confident85.3Confident11 Ų1122.2 Ų22.27%0.06712%0.123CC..EExtended strand (participates in β ladder)trans-103.9130.9179.8-178.20000110V672 I673 R674 I708 L800 P803 L806V672-V756 HydrophobicContact CG1-CG1 3.58Å; I673-V756 CarbonylContact O-C 3.59Å; I673-V756 WeakPolarHBondContact O-CA 3.15Å; R674-V756 HydrophobicContact CB-CG2 4.26Å; R674-V756 HydrophobicContact CG-CG2 4.16Å; I708-V756 HydrophobicContact CD1-CB 4.47Å; I708-V756 HydrophobicContact CD1-CG1 3.58Å; I708-V756 HydrophobicContact CD1-CG2 4.07Å; V756-L800 HydrophobicContact CG1-CB 4.33Å; V756-L800 HydrophobicContact CG1-CD1 4.13Å; V756-L800 PolarHBondContact O-N 2.66Å; V756-L800 VanDerWaalsContact O-N 3.16Å; V756-P803 HydrophobicContact CG2-CG 4.38Å; V756-L806 HydrophobicContact CG2-CD1 4.23Å
757Y87.1Confident85Confident0 Ų022.1 Ų22.10%013%0.127CC..EExtended strand (participates in β ladder)trans-129.5146.9-179.1-54.7-88.9000110.8I673 V675 L750 L751 Q752 S755 H798I673-Y757 WeakPolarHBondContact CG1-O 3.23Å; I673-Y757 PolarHBondContact N-O 3.06Å; I673-Y757 PolarHBondContact O-N 3.23Å; V675-Y757 HydrophobicContact CB-CE2 4.32Å; V675-Y757 HydrophobicContact CG2-CD2 3.68Å; V675-Y757 HydrophobicContact CG2-CE2 3.67Å; L750-Y757 PolarHBondContact O-OH 3.48Å; L751-Y757 HydrophobicContact CD2-CD1 3.99Å; L751-Y757 HydrophobicContact CD2-CD2 3.91Å; L751-Y757 HydrophobicContact CD2-CE1 3.96Å; L751-Y757 HydrophobicContact CD2-CE2 3.89Å; L751-Y757 HydrophobicContact CD2-CG 3.97Å; Q752-Y757 PolarHBondContact N-OH 3.17Å; S755-Y757 VanDerWaalsContact CB-CE2 3.49Å; S755-Y757 WeakPolarHBondContact CB-OH 3.49Å; S755-Y757 WeakPolarHBondContact O-CE2 3.47Å; Y757-H798 CarbonylContact C-O 3.58Å; Y757-H798 WeakPolarHBondContact CA-O 3.43Å
758R89.4Confident84.6Confident0 Ų024.6 Ų24.60%015%0.146CC..EExtended strand (participates in β ladder)trans-95.2114.4164.3179.2-175.2-68.4131-2.8108.6K719 Q721 P722 E727 F797 H798 L800K719-R758 PolarHBondContact O-NH1 3.44Å; Q721-R758 PolarHBondContact O-NH1 2.66Å; Q721-R758 PolarHBondContact O-NH2 3.02Å; Q721-R758 VanDerWaalsContact O-NH2 3.16Å; P722-R758 PolarHBondContact O-NH2 2.9Å; P722-R758 VanDerWaalsContact O-NH2 3.08Å; E727-R758 IonicContact OE1-CZ 2.69Å; E727-R758 IonicContact OE1-NE 2.8Å; E727-R758 PolarHBondContact OE1-NE 3.23Å; E727-R758 IonicContact OE1-NH2 2.66Å; E727-R758 PolarHBondContact OE1-NH2 3.47Å; E727-R758 IonicContact OE2-CZ 3.15Å; E727-R758 IonicContact OE2-NE 3.71Å; E727-R758 IonicContact OE2-NH2 3.3Å; E727-R758 PolarHBondContact OE2-NH2 3.4Å; R758-F797 WeakPolarHBondContact O-CA 3.28Å; R758-H798 HydrophobicContact CB-CB 4.19Å; R758-H798 PolarHBondContact N-O 3.34Å; R758-H798 PolarHBondContact O-N 2.84Å; R758-L800 HydrophobicContact CB-CD1 4.2Å; R758-L800 HydrophobicContact CB-CG 4.41Å
759L90.9Very high84.3Confident0 Ų025 Ų250%015%0.15CC..EExtended strand (participates in β ladder)trans-87.7116.8172.6173.955.4000108.7S670 M671 L770 L789 W795 R796 F797S670-L759 CarbonylContact C-O 3.52Å; S670-L759 WeakPolarHBondContact CA-O 3.38Å; S670-L759 WeakPolarHBondContact CB-O 3.03Å; M671-L759 HydrophobicContact CG-CB 3.9Å; M671-L759 HydrophobicContact CG-CD2 4.33Å; M671-L759 HydrophobicContact CG-CG 4.37Å; M671-L759 PolarHBondContact N-O 2.9Å; M671-L759 PolarHBondContact O-N 2.96Å; M671-L759 HydrophobicContact SD-CD2 3.98Å; L759-L770 HydrophobicContact CD2-CD2 4.02Å; L759-L770 HydrophobicContact CG-CD2 4.13Å; L759-L789 HydrophobicContact CD2-CD2 4.38Å; L759-W795 HydrophobicContact CD1-CB 4.2Å; L759-W795 HydrophobicContact CD1-CE3 4Å; L759-W795 HydrophobicContact CD2-CE3 4.11Å; L759-W795 HydrophobicContact CD2-CZ3 4.21Å; L759-W795 HydrophobicContact CG-CE3 4.36Å; L759-R796 WeakPolarHBondContact CA-O 3.38Å; L759-F797 HydrophobicContact CB-CD1 4.41Å; L759-F797 HydrophobicContact CB-CE1 4.18Å; L759-F797 HydrophobicContact CD1-CD1 4.2Å; L759-F797 HydrophobicContact CD1-CD2 4.13Å; L759-F797 HydrophobicContact CD1-CE1 3.79Å; L759-F797 HydrophobicContact CD1-CE2 3.69Å; L759-F797 HydrophobicContact CD1-CG 4.37Å; L759-F797 HydrophobicContact CD1-CZ 3.51Å; L759-F797 HydrophobicContact CD2-CE1 4.38Å; L759-F797 HydrophobicContact CD2-CZ 4.29Å; L759-F797 HydrophobicContact CG-CE1 4.34Å; L759-F797 HydrophobicContact CG-CZ 4.37Å
760T89.3Confident84.1Confident0 Ų024.4 Ų24.40%015%0.146CC..EExtended strand (participates in β ladder)trans-112.3126.1-178.9-53.10000110.7C668 V669 W795 R796 H798C668-T760 HydrophobicContact CB-CG2 3.77Å; V669-T760 WeakPolarHBondContact O-CA 3.4Å; T760-W795 WeakPolarHBondContact O-CA 3.37Å; T760-R796 PolarHBondContact N-O 3.12Å; T760-R796 PolarHBondContact O-N 2.98Å; T760-H798 PolarHBondContact OG1-ND1 3.36Å
761A89.6Confident83.6Confident0 Ų029.2 Ų29.20%017%0.17CC..EExtended strand (participates in β ladder)trans-97.5108.1167.800000109C668 V669 T764 V769 L770 W795C668-A761 WeakPolarHBondContact CA-O 3.14Å; C668-A761 VanDerWaalsContact CB-O 3.28Å; C668-A761 WeakPolarHBondContact CB-O 3.5Å; V669-A761 HydrophobicContact CG2-CB 3.87Å; V669-A761 PolarHBondContact N-O 2.86Å; V669-A761 PolarHBondContact O-N 3.48Å; A761-T764 HydrophobicContact CB-CG2 4.01Å; A761-V769 HydrophobicContact CB-CG1 4.34Å; A761-L770 HydrophobicContact CB-CD1 4.43Å; A761-L770 HydrophobicContact CB-CD2 4.24Å; A761-L770 HydrophobicContact CB-CG 4.32Å; A761-W795 HydrophobicContact CB-CD2 4.37Å; A761-W795 HydrophobicContact CB-CG 4.34Å
762P87.5Confident82.4Confident28 Ų2830.1 Ų30.118%0.18218%0.18CC..EExtended strand (participates in β ladder)trans-73.1162.5-179.432-35000111.4T764 D794P762-T764 VanDerWaalsContact C-N 3.29Å; P762-T764 PolarHBondContact O-N 2.84Å; P762-D794 HydrophobicContact CG-CB 4.43Å; P762-D794 WeakPolarHBondContact CG-O 3.49Å
763N85.8Confident81.1Confident92 Ų9234 Ų3449%0.49221%0.208SC..THydrogen-bonded Turntrans61.328.9171.6-65.4-54.8000115.6Q666 P667Q666-N763 VanDerWaalsContact CB-OD1 3.26Å; Q666-N763 WeakPolarHBondContact CB-OD1 3.48Å; Q666-N763 WeakPolarHBondContact CG-OD1 3.19Å; Q666-N763 PolarHBondContact NE2-OD1 2.81Å; Q666-N763 PolarHBondContact OE1-ND2 3.47Å; Q666-N763 PolarHBondContact OE1-OD1 3.11Å; P667-N763 WeakPolarHBondContact O-CA 3.13Å; P667-N763 PolarHBondContact O-N 2.97Å
764T83.7Confident79.5Confident31 Ų3138 Ų3819%0.1924%0.236CC..  trans-150.3148.5177.3-175.70000111.6P667 C668 V669 A761 P762 D766P667-T764 PolarHBondContact O-N 2.79Å; C668-T764 CarbonylContact C-O 3.58Å; C668-T764 VanDerWaalsContact C-O 3.28Å; C668-T764 VanDerWaalsContact CA-O 3.22Å; C668-T764 WeakPolarHBondContact CA-O 3.19Å; V669-T764 HydrophobicContact CG2-CG2 3.84Å; V669-T764 PolarHBondContact N-O 3.01Å; A761-T764 HydrophobicContact CB-CG2 4.01Å; P762-T764 VanDerWaalsContact C-N 3.29Å; P762-T764 PolarHBondContact O-N 2.84Å; T764-D766 PolarHBondContact OG1-N 3.22Å; T764-D766 VanDerWaalsContact OG1-N 3.09Å
765Q84.6Confident77.8Confident75 Ų7542.6 Ų42.635%0.3526%0.26SS..  trans-112.11.4168.9-73.6-68.62.100112.1P667 R713 W714 P767P667-Q765 HydrophobicContact CB-CG 3.82Å; P667-Q765 HydrophobicContact CG-CG 4.36Å; R713-Q765 PolarHBondContact NE-O 2.87Å; W714-Q765 PolarHBondContact O-NE2 3.08Å; Q765-P767 VanDerWaalsContact O-CD 3.29Å; Q765-P767 WeakPolarHBondContact O-CD 3.31Å
766D83.8Confident75.4Confident75 Ų7546.1 Ų46.140%0.40129%0.29SS..  trans-82.1110.3-179.8-179.86.9000110.1T764 S768 V769T764-D766 PolarHBondContact OG1-N 3.22Å; T764-D766 VanDerWaalsContact OG1-N 3.09Å; D766-S768 PolarHBondContact O-N 2.83Å; D766-S768 VanDerWaalsContact OD1-CB 3.25Å; D766-S768 WeakPolarHBondContact OD1-CB 3.39Å; D766-S768 PolarHBondContact OD1-N 2.81Å; D766-S768 PolarHBondContact OD1-OG 2.94Å; D766-S768 PolarHBondContact OD2-OG 2.71Å; D766-V769 HydrophobicContact CB-CG2 4.14Å; D766-V769 WeakPolarHBondContact O-CG2 3.45Å
767P80Confident73Confident30 Ų3048.5 Ų48.520%0.19532%0.316CS..G310 helixtrans-69.7-19.2-179.732.8-38.5000112.5V711 R713 Q765 V769 L770 I771V711-P767 HydrophobicContact CB-CB 4.12Å; V711-P767 HydrophobicContact CG1-CB 3.83Å; R713-P767 VanDerWaalsContact NH2-CD 3.32Å; R713-P767 VanDerWaalsContact NH2-CG 3.33Å; Q765-P767 VanDerWaalsContact O-CD 3.29Å; Q765-P767 WeakPolarHBondContact O-CD 3.31Å; P767-V769 PolarHBondContact O-N 2.94Å; P767-L770 PolarHBondContact O-N 2.74Å; P767-I771 WeakPolarHBondContact O-CG1 3.37Å
768S80.3Confident70.5Confident65 Ų6557.9 Ų57.946%0.45536%0.36SS..G310 helixtrans-63.6-23-17876.80000112.8D766 L770 I771D766-S768 PolarHBondContact O-N 2.83Å; D766-S768 VanDerWaalsContact OD1-CB 3.25Å; D766-S768 WeakPolarHBondContact OD1-CB 3.39Å; D766-S768 PolarHBondContact OD1-N 2.81Å; D766-S768 PolarHBondContact OD1-OG 2.94Å; D766-S768 PolarHBondContact OD2-OG 2.71Å; S768-L770 PolarHBondContact O-N 3.35Å; S768-I771 PolarHBondContact O-N 3.15Å; S768-I771 VanDerWaalsContact O-N 3.13Å
769V81Confident67.9Low23 Ų2367.8 Ų67.814%0.13940%0.403CS..G310 helixtrans-60.7-27.2177.5177.80000112.8A761 D766 P767 W795A761-V769 HydrophobicContact CB-CG1 4.34Å; D766-V769 HydrophobicContact CB-CG2 4.14Å; D766-V769 WeakPolarHBondContact O-CG2 3.45Å; P767-V769 PolarHBondContact O-N 2.94Å; V769-W795 HydrophobicContact CG1-CH2 4.33Å; V769-W795 HydrophobicContact CG1-CZ2 3.45Å; V769-W795 VanDerWaalsContact CG1-CZ2 3.45Å; V769-W795 VanDerWaalsContact O-CH2 3.31Å; V769-W795 WeakPolarHBondContact O-CH2 3.47Å
770L80.4Confident65.3Low4 Ų471.7 Ų71.72%0.02144%0.444CS..G310 helixtrans-106.45.9-179.6-70.5-178000113.2V669 M671 V711 L759 A761 P767 S768 L789 W795V669-L770 HydrophobicContact CB-CD1 4.44Å; V669-L770 HydrophobicContact CG2-CD1 3.79Å; V669-L770 HydrophobicContact CG2-CG 4.17Å; M671-L770 HydrophobicContact CB-CD1 4.29Å; M671-L770 HydrophobicContact CG-CD1 4.03Å; M671-L770 HydrophobicContact SD-CB 3.72Å; M671-L770 HydrophobicContact SD-CD1 4.12Å; M671-L770 HydrophobicContact SD-CD2 3.99Å; M671-L770 HydrophobicContact SD-CG 4.15Å; V711-L770 HydrophobicContact CG1-CB 4.35Å; V711-L770 HydrophobicContact CG1-CD1 4.1Å; V711-L770 HydrophobicContact CG2-CB 3.92Å; L759-L770 HydrophobicContact CD2-CD2 4.02Å; L759-L770 HydrophobicContact CG-CD2 4.13Å; A761-L770 HydrophobicContact CB-CD1 4.43Å; A761-L770 HydrophobicContact CB-CD2 4.24Å; A761-L770 HydrophobicContact CB-CG 4.32Å; P767-L770 PolarHBondContact O-N 2.74Å; S768-L770 PolarHBondContact O-N 3.35Å; L770-L789 HydrophobicContact CD2-CD2 4.44Å; L770-W795 HydrophobicContact CD2-CD2 4.44Å; L770-W795 HydrophobicContact CD2-CE3 4.05Å; L770-W795 HydrophobicContact CD2-CH2 3.73Å; L770-W795 HydrophobicContact CD2-CZ2 4.14Å; L770-W795 HydrophobicContact CD2-CZ3 3.67Å
771I73.1Confident62.5Low102 Ų10276.8 Ų76.852%0.52347%0.474SS..SBendtrans-99.4115.1176.7-60.3173.4000107.4V711 P767 S768V711-I771 HydrophobicContact CG2-CG1 4.4Å; P767-I771 WeakPolarHBondContact O-CG1 3.37Å; S768-I771 PolarHBondContact O-N 3.15Å; S768-I771 VanDerWaalsContact O-N 3.13Å
772G62.2Low59.6Low19 Ų1985.6 Ų85.620%0.19652%0.516CS..PPolyproline II helixtrans-58.7147.7-17500000113.2S788G772-S788 WeakPolarHBondContact CA-O 3.47Å
773C53.3Low57.1Low98 Ų9891.1 Ų91.166%0.66254%0.543SS*.BIsolated β-bridgetrans-78125.3172.7-63.60000109.2V775 S788C773-V775 PolarHBondContact O-N 2.96Å; C773-S788 PolarHBondContact N-O 2.91Å; C773-S788 VanDerWaalsContact N-O 3.13Å
774S46.5Very low54.9Low107 Ų10796 Ų9675%0.74856%0.562SS**PPolyproline II helixtrans-70.1127.4163.751.90000108.4A776S774-A776 PolarHBondContact O-N 3.18Å; S774-A776 VanDerWaalsContact O-N 3.07Å
775V39.6Very low53.2Low116 Ų11697.9 Ų97.970%0.70358%0.581SS**  trans-69.6108.6173.4-177.90000106.8C773 G777C773-V775 PolarHBondContact O-N 2.96Å; V775-G777 PolarHBondContact O-N 3.13Å
776A31.3Very low52Low93 Ų9398.4 Ų98.477%0.76959%0.586SS**  trans-63.1104.5171.500000108.4S774 Q778S774-A776 PolarHBondContact O-N 3.18Å; S774-A776 VanDerWaalsContact O-N 3.07Å; A776-Q778 PolarHBondContact O-N 2.85Å
777G34.1Very low51.4Low60 Ų6096.4 Ų96.462%0.61958%0.578SS**  trans-57.7120.7178.500000110.5V775 K779V775-G777 PolarHBondContact O-N 3.13Å; G777-K779 PolarHBondContact O-N 3.04Å
778Q34Very low51.5Low197 Ų19796.3 Ų96.392%0.92158%0.579SS**SBendtrans-62.9106.2162.4-80.6-170.3-24.800108A776A776-Q778 PolarHBondContact O-N 2.85Å
779K35.3Very low51.8Low208 Ų20893.8 Ų93.890%0.90456%0.56SS**SBendtrans38.4104.4165.8-72.9-174.7174.5-178.90116.7G777G777-K779 PolarHBondContact O-N 3.04Å
780G35.5Very low52.1Low82 Ų8296.8 Ų96.885%0.84557%0.572SS**SBendtrans103.55.4143.600000117.9
781V31.6Very low52.4Low107 Ų10796.7 Ų96.765%0.64857%0.572SS**  trans-134.3108.5168.2-171.30000108.3L783V781-L783 HydrophobicContact CG1-CD2 4.36Å; V781-L783 HydrophobicContact CG1-CG 3.99Å; V781-L783 PolarHBondContact O-N 3.21Å
782E28.9Very low53.1Low186 Ų18698.2 Ų98.287%0.86957%0.571SS**  trans-7087.1164.9-73.1-176.4172.100107.8H784E782-H784 PolarHBondContact O-N 2.84Å
783L34.2Very low54.1Low143 Ų143100.7 Ų100.775%0.74958%0.584SS**  trans-73.8116.2162.3-73.7163.9000106.3V781 A785V781-L783 HydrophobicContact CG1-CD2 4.36Å; V781-L783 HydrophobicContact CG1-CG 3.99Å; V781-L783 PolarHBondContact O-N 3.21Å; L783-A785 PolarHBondContact O-N 2.8Å
784H38.8Very low55.6Low194 Ų19499.2 Ų99.290%0.89857%0.569SS**  trans-62.373161-73-75.7000108.5E782E782-H784 PolarHBondContact O-N 2.84Å
785A48.8Very low57.7Low72 Ų7294.3 Ų94.360%0.59553%0.534SS*.PPolyproline II helixtrans-89.2125.1176.800000108.3L783L783-A785 PolarHBondContact O-N 2.8Å
786D58.7Low60Low85 Ų8594.2 Ų94.246%0.45552%0.521SS..PPolyproline II helixtrans-50.7141.4170.8-66.1-33.5000110S788D786-S788 PolarHBondContact O-N 3.06Å
787S72.5Confident62.7Low33 Ų3389.9 Ų89.923%0.23149%0.485CS..EExtended strand (participates in β ladder)trans-55.5129.8175.363.60000109.8K735 V736 L737K735-S787 PolarHBondContact O-OG 2.92Å; V736-S787 CarbonylContact C-O 3.53Å; V736-S787 WeakPolarHBondContact CA-O 3.16Å; V736-S787 WeakPolarHBondContact CG2-O 3.2Å; L737-S787 PolarHBondContact N-O 3.38Å
788S80.6Confident65.2Low29 Ų2987.9 Ų87.920%0.20346%0.46CS..EExtended strand (participates in β ladder)trans-103.7135.6-177.571.90000111.2L737 G772 C773 D786L737-S788 WeakPolarHBondContact O-CA 3.24Å; G772-S788 WeakPolarHBondContact CA-O 3.47Å; C773-S788 PolarHBondContact N-O 2.91Å; C773-S788 VanDerWaalsContact N-O 3.13Å; D786-S788 PolarHBondContact O-N 3.06Å
789L86.3Confident67.5Low11 Ų1178.8 Ų78.86%0.05842%0.418CS..EExtended strand (participates in β ladder)trans-130118.4-179.3-173.868.7000110.5M671 V736 L737 L738 Q739 L759 L770 W795M671-L789 HydrophobicContact SD-CD2 4.4Å; V736-L789 HydrophobicContact CG2-CB 3.85Å; L737-L789 PolarHBondContact O-N 2.84Å; L738-L789 WeakPolarHBondContact CA-O 3.13Å; L738-L789 HydrophobicContact CD2-CB 4.05Å; L738-L789 HydrophobicContact CD2-CD2 3.85Å; L738-L789 HydrophobicContact CD2-CG 4.39Å; Q739-L789 PolarHBondContact N-O 2.9Å; L759-L789 HydrophobicContact CD2-CD2 4.38Å; L770-L789 HydrophobicContact CD2-CD2 4.44Å; L789-W795 HydrophobicContact CD1-CH2 4.06Å; L789-W795 HydrophobicContact CD1-CZ3 4.46Å; L789-W795 HydrophobicContact CD2-CH2 4.25Å; L789-W795 HydrophobicContact CD2-CZ3 3.9Å; L789-W795 HydrophobicContact CG-CH2 4.17Å; L789-W795 HydrophobicContact CG-CZ3 4.07Å
790Q87.5Confident69.4Low86 Ų8669.5 Ų69.540%0.40238%0.378SS..EExtended strand (participates in β ladder)trans-81.6117.4175.4-177.764.727.800110.3S741 R792S741-Q790 PolarHBondContact OG-NE2 3.08Å; Q790-R792 PolarHBondContact O-N 3.05Å
791V88.2Confident70.6Confident2 Ų269 Ų691%0.01236%0.358CS..PPolyproline II helixtrans-77.1119.1-178.9178.30000110.1L738 Q739 F740 S744 W795 F797L738-V791 HydrophobicContact CB-CG2 4.22Å; Q739-V791 WeakPolarHBondContact O-CB 3.32Å; Q739-V791 PolarHBondContact O-N 3.25Å; F740-V791 HydrophobicContact CD1-CB 3.94Å; F740-V791 HydrophobicContact CD1-CG1 3.97Å; F740-V791 HydrophobicContact CD1-CG2 4.01Å; F740-V791 HydrophobicContact CE1-CB 4.06Å; F740-V791 HydrophobicContact CE1-CG1 3.89Å; F740-V791 HydrophobicContact CE1-CG2 3.75Å; F740-V791 HydrophobicContact CE2-CG2 4.27Å; F740-V791 HydrophobicContact CG-CB 4.47Å; F740-V791 HydrophobicContact CG-CG2 4.41Å; F740-V791 HydrophobicContact CZ-CG2 3.88Å; S744-V791 PolarHBondContact OG-O 2.58Å; V791-W795 HydrophobicContact CB-CE3 4.35Å; V791-W795 HydrophobicContact CG1-CB 4.43Å; V791-W795 HydrophobicContact CG1-CE3 4.02Å; V791-F797 HydrophobicContact CG1-CE2 4Å; V791-F797 HydrophobicContact CG1-CZ 4.33Å; V791-F797 HydrophobicContact CG2-CZ 4.41Å
792R86.1Confident71.8Confident135 Ų13574.2 Ų74.251%0.50937%0.366SS..PPolyproline II helixtrans-76.5151.8180-58.2-175178178.2-0.3112.1Q790 D794 W795Q790-R792 PolarHBondContact O-N 3.05Å; R792-D794 VanDerWaalsContact C-N 3.26Å; R792-D794 WeakPolarHBondContact CB-OD1 3.47Å; R792-D794 PolarHBondContact O-N 2.85Å; R792-W795 HydrophobicContact CB-CD2 4.08Å; R792-W795 HydrophobicContact CB-CG 4.08Å; R792-W795 HydrophobicContact CB-CZ2 4.3Å; R792-W795 HydrophobicContact CG-CD2 4.43Å; R792-W795 HydrophobicContact CG-CH2 4.49Å; R792-W795 HydrophobicContact CG-CZ2 3.75Å; R792-W795 PolarHBondContact O-N 2.88Å
793P84.4Confident73.3Confident71 Ų7166.3 Ų66.346%0.46133%0.331SS..THydrogen-bonded Turntrans-58.7-30.7-176.4-28.237000115.5V743 R746V743-P793 HydrophobicContact CB-CB 4.14Å; V743-P793 HydrophobicContact CG2-CB 4.39Å; R746-P793 PolarHBondContact NH1-O 3.32Å; R746-P793 PolarHBondContact NH2-O 3.05Å
794D85.6Confident74.2Confident67 Ų6767.3 Ų67.336%0.35834%0.336SS..THydrogen-bonded Turntrans-83.2-17.4-175.960.6-54.1000113.9P762 R792 R796P762-D794 HydrophobicContact CG-CB 4.43Å; P762-D794 WeakPolarHBondContact CG-O 3.49Å; R792-D794 VanDerWaalsContact C-N 3.26Å; R792-D794 WeakPolarHBondContact CB-OD1 3.47Å; R792-D794 PolarHBondContact O-N 2.85Å; D794-R796 PolarHBondContact O-NE 2.9Å
795W89.7Confident75Confident4 Ų461.6 Ų61.62%0.01531%0.312CS..  trans-66.1155179.2-65.66000112.9L759 T760 A761 V769 L770 L789 V791 R792L759-W795 HydrophobicContact CD1-CB 4.2Å; L759-W795 HydrophobicContact CD1-CE3 4Å; L759-W795 HydrophobicContact CD2-CE3 4.11Å; L759-W795 HydrophobicContact CD2-CZ3 4.21Å; L759-W795 HydrophobicContact CG-CE3 4.36Å; T760-W795 WeakPolarHBondContact O-CA 3.37Å; A761-W795 HydrophobicContact CB-CD2 4.37Å; A761-W795 HydrophobicContact CB-CG 4.34Å; V769-W795 HydrophobicContact CG1-CH2 4.33Å; V769-W795 HydrophobicContact CG1-CZ2 3.45Å; V769-W795 VanDerWaalsContact CG1-CZ2 3.45Å; V769-W795 VanDerWaalsContact O-CH2 3.31Å; V769-W795 WeakPolarHBondContact O-CH2 3.47Å; L770-W795 HydrophobicContact CD2-CD2 4.44Å; L770-W795 HydrophobicContact CD2-CE3 4.05Å; L770-W795 HydrophobicContact CD2-CH2 3.73Å; L770-W795 HydrophobicContact CD2-CZ2 4.14Å; L770-W795 HydrophobicContact CD2-CZ3 3.67Å; L789-W795 HydrophobicContact CD1-CH2 4.06Å; L789-W795 HydrophobicContact CD1-CZ3 4.46Å; L789-W795 HydrophobicContact CD2-CH2 4.25Å; L789-W795 HydrophobicContact CD2-CZ3 3.9Å; L789-W795 HydrophobicContact CG-CH2 4.17Å; L789-W795 HydrophobicContact CG-CZ3 4.07Å; V791-W795 HydrophobicContact CB-CE3 4.35Å; V791-W795 HydrophobicContact CG1-CB 4.43Å; V791-W795 HydrophobicContact CG1-CE3 4.02Å; R792-W795 HydrophobicContact CB-CD2 4.08Å; R792-W795 HydrophobicContact CB-CG 4.08Å; R792-W795 HydrophobicContact CB-CZ2 4.3Å; R792-W795 HydrophobicContact CG-CD2 4.43Å; R792-W795 HydrophobicContact CG-CH2 4.49Å; R792-W795 HydrophobicContact CG-CZ2 3.75Å; R792-W795 PolarHBondContact O-N 2.88Å
796R87.8Confident75.5Confident113 Ų11358.7 Ų58.743%0.42629%0.286SS..EExtended strand (participates in β ladder)trans-127.8143.6-172.9-54-62.6168.1168.20.6111.7L759 T760 D794L759-R796 WeakPolarHBondContact CA-O 3.38Å; T760-R796 PolarHBondContact N-O 3.12Å; T760-R796 PolarHBondContact O-N 2.98Å; D794-R796 PolarHBondContact O-NE 2.9Å
797F88.4Confident75.2Confident2 Ų257.3 Ų57.31%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-112.6128.1171.7-69.6-98000109.7T565 I673 L738 F740 W747 L751 R758 L759 V791T565-F797 WeakPolarHBondContact CB-O 3.47Å; T565-F797 VanDerWaalsContact CG2-O 3.31Å; T565-F797 WeakPolarHBondContact CG2-O 3.11Å; T565-F797 PolarHBondContact OG1-O 2.87Å; I673-F797 HydrophobicContact CD1-CD1 4.41Å; I673-F797 HydrophobicContact CD1-CE1 3.86Å; L738-F797 HydrophobicContact CD1-CE1 4.37Å; F740-F797 AromaticContact CE1-CE2 3.62Å; F740-F797 HydrophobicContact CE1-CE2 3.62Å; F740-F797 AromaticContact CE1-CZ 3.55Å; F740-F797 HydrophobicContact CE1-CZ 3.55Å; F740-F797 HydrophobicContact CZ-CE1 4.36Å; F740-F797 HydrophobicContact CZ-CE2 4.18Å; F740-F797 AromaticContact CZ-CZ 3.62Å; F740-F797 HydrophobicContact CZ-CZ 3.62Å; W747-F797 AromaticContact CD1-CD2 3.95Å; W747-F797 AromaticContact CD1-CE2 3.98Å; W747-F797 HydrophobicContact CD2-CB 4.45Å; W747-F797 AromaticContact CD2-CD2 3.7Å; W747-F797 HydrophobicContact CD2-CD2 3.7Å; W747-F797 HydrophobicContact CD2-CE2 4.46Å; W747-F797 HydrophobicContact CD2-CG 4.46Å; W747-F797 AromaticContact CE2-CD2 3.79Å; W747-F797 HydrophobicContact CE3-CB 4.04Å; W747-F797 HydrophobicContact CE3-CD2 4.15Å; W747-F797 HydrophobicContact CE3-CG 4.5Å; W747-F797 AromaticContact CG-CD2 3.85Å; W747-F797 HydrophobicContact CG-CD2 3.85Å; W747-F797 HydrophobicContact CG-CE2 4.17Å; W747-F797 HydrophobicContact CH2-CB 4.44Å; W747-F797 HydrophobicContact CZ2-CD2 4.33Å; W747-F797 HydrophobicContact CZ3-CB 4.04Å; W747-F797 AromaticContact NE1-CD2 3.91Å; L751-F797 HydrophobicContact CD1-CE1 4.4Å; L751-F797 HydrophobicContact CD2-CD1 3.82Å; L751-F797 HydrophobicContact CD2-CE1 4.23Å; L751-F797 HydrophobicContact CD2-CG 4.22Å; R758-F797 WeakPolarHBondContact O-CA 3.28Å; L759-F797 HydrophobicContact CB-CD1 4.41Å; L759-F797 HydrophobicContact CB-CE1 4.18Å; L759-F797 HydrophobicContact CD1-CD1 4.2Å; L759-F797 HydrophobicContact CD1-CD2 4.13Å; L759-F797 HydrophobicContact CD1-CE1 3.79Å; L759-F797 HydrophobicContact CD1-CE2 3.69Å; L759-F797 HydrophobicContact CD1-CG 4.37Å; L759-F797 HydrophobicContact CD1-CZ 3.51Å; L759-F797 HydrophobicContact CD2-CE1 4.38Å; L759-F797 HydrophobicContact CD2-CZ 4.29Å; L759-F797 HydrophobicContact CG-CE1 4.34Å; L759-F797 HydrophobicContact CG-CZ 4.37Å; V791-F797 HydrophobicContact CG1-CE2 4Å; V791-F797 HydrophobicContact CG1-CZ 4.33Å; V791-F797 HydrophobicContact CG2-CZ 4.41Å
798H85.3Confident74.1Confident19 Ų1963.4 Ų63.49%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-116.8123.1179.7-63.6112.5000109.4T565 D717 K719 N720 Y757 R758 T760T565-H798 WeakPolarHBondContact OG1-CA 3.25Å; D717-H798 IonicContact OD1-CE1 3.31Å; D717-H798 PolarHBondContact OD1-CE1 3.29Å; D717-H798 IonicContact OD1-ND1 3.04Å; D717-H798 IonicContact OD2-CE1 2.79Å; D717-H798 PolarHBondContact OD2-CE1 2.88Å; D717-H798 IonicContact OD2-NE2 3.67Å; K719-H798 VanDerWaalsContact O-CB 3.32Å; K719-H798 WeakPolarHBondContact O-CB 3.47Å; N720-H798 WeakPolarHBondContact OD1-CA 3.35Å; N720-H798 WeakPolarHBondContact OD1-CB 3.25Å; N720-H798 PolarHBondContact OD1-CD2 3.1Å; Y757-H798 CarbonylContact C-O 3.58Å; Y757-H798 WeakPolarHBondContact CA-O 3.43Å; R758-H798 HydrophobicContact CB-CB 4.19Å; R758-H798 PolarHBondContact N-O 3.34Å; R758-H798 PolarHBondContact O-N 2.84Å; T760-H798 PolarHBondContact OG1-ND1 3.36Å
799T82.5Confident72.3Confident6 Ų666.9 Ų66.94%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-73.7133.3179.7-52.70000110.1N563 T565N563-T799 WeakPolarHBondContact O-CG2 3.35Å; N563-T799 PolarHBondContact O-OG1 3Å; T565-T799 VanDerWaalsContact CG2-OG1 3.3Å; T565-T799 WeakPolarHBondContact CG2-OG1 3.43Å; T565-T799 PolarHBondContact N-OG1 2.82Å; T565-T799 PolarHBondContact OG1-N 2.8Å; T565-T799 PolarHBondContact OG1-OG1 2.8Å
800L76.2Confident70.4Confident13 Ų1367.8 Ų67.87%0.06833%0.329CS..  trans-105.998175.4-67.6177.1000109.5V672 Q721 M723 V756 R758V672-L800 HydrophobicContact CG1-CD1 3.84Å; V672-L800 HydrophobicContact CG2-CD1 4.17Å; Q721-L800 WeakPolarHBondContact O-CD2 3.34Å; M723-L800 HydrophobicContact CB-CD1 4.46Å; V756-L800 HydrophobicContact CG1-CB 4.33Å; V756-L800 HydrophobicContact CG1-CD1 4.13Å; V756-L800 PolarHBondContact O-N 2.66Å; V756-L800 VanDerWaalsContact O-N 3.16Å; R758-L800 HydrophobicContact CB-CD1 4.2Å; R758-L800 HydrophobicContact CB-CG 4.41Å
801T59.8Low68.1Low70 Ų7066.9 Ų66.943%0.42933%0.33SS..SBendtrans-76.1121.9175.846.90000110.4H629H629-T801 PolarHBondContact CD2-OG1 2.99Å; H629-T801 VanDerWaalsContact NE2-CG2 3.29Å; H629-T801 WeakPolarHBondContact NE2-CG2 3.4Å; H629-T801 PolarHBondContact NE2-OG1 3.21Å
802R58.1Low65.8Low218 Ų21873.2 Ų73.282%0.82336%0.359SS*.  trans56.776.6178.9-60.1-179.4179.1-178.4-1.8113.7L804R802-L804 VanDerWaalsContact C-N 3.28Å; R802-L804 PolarHBondContact O-N 3.15Å
803P58.7Low63.5Low19 Ų1969.7 Ų69.712%0.12335%0.353CS..  trans-70.286.6171.730.3-33.2000109.7M723 V756 L805 L806 T811M723-P803 HydrophobicContact SD-CB 4.34Å; V756-P803 HydrophobicContact CG2-CG 4.38Å; P803-L805 PolarHBondContact O-N 3.39Å; P803-L806 HydrophobicContact CB-CB 4.28Å; P803-L806 HydrophobicContact CB-CD1 3.5Å; P803-L806 VanDerWaalsContact CB-CD1 3.5Å; P803-L806 HydrophobicContact CB-CG 3.86Å; P803-L806 HydrophobicContact CG-CB 4.27Å; P803-L806 HydrophobicContact CG-CD1 3.41Å; P803-L806 VanDerWaalsContact CG-CD1 3.41Å; P803-L806 HydrophobicContact CG-CG 4.13Å; P803-L806 PolarHBondContact O-N 3.23Å; P803-T811 HydrophobicContact CG-CG2 4.16Å
804L53.6Low61.3Low165 Ų16570.7 Ų70.786%0.86436%0.357SS*.THydrogen-bonded Turntrans-58.4-19.9-178.2-63.8173.1000113.4R802R802-L804 VanDerWaalsContact C-N 3.28Å; R802-L804 PolarHBondContact O-N 3.15Å
805L55.6Low58.9Low74 Ų7472.5 Ų72.539%0.38736%0.36SS..THydrogen-bonded Turntrans-83.9-6.9178.1-63.4174.6000113.8M723 E725 V728 P803M723-L805 VanDerWaalsContact O-CD1 3.27Å; M723-L805 WeakPolarHBondContact O-CD1 3.4Å; E725-L805 HydrophobicContact CG-CD1 4.21Å; E725-L805 HydrophobicContact CG-CD2 4.38Å; V728-L805 HydrophobicContact CG2-CB 4.07Å; V728-L805 HydrophobicContact CG2-CD1 4.23Å; P803-L805 PolarHBondContact O-N 3.39Å
806L59Low56.3Low11 Ų1179.3 Ų79.36%0.05839%0.389CS..SBendtrans-92.5137.8-179.1-72175000111.8I708 M723 V728 V756 P803 W810 T811I708-L806 HydrophobicContact CD1-CD1 4Å; I708-L806 HydrophobicContact CG2-CD2 3.7Å; M723-L806 HydrophobicContact SD-CG 4.44Å; V728-L806 HydrophobicContact CG1-CD2 4.47Å; V756-L806 HydrophobicContact CG2-CD1 4.23Å; P803-L806 HydrophobicContact CB-CB 4.28Å; P803-L806 HydrophobicContact CB-CD1 3.5Å; P803-L806 VanDerWaalsContact CB-CD1 3.5Å; P803-L806 HydrophobicContact CB-CG 3.86Å; P803-L806 HydrophobicContact CG-CB 4.27Å; P803-L806 HydrophobicContact CG-CD1 3.41Å; P803-L806 VanDerWaalsContact CG-CD1 3.41Å; P803-L806 HydrophobicContact CG-CG 4.13Å; P803-L806 PolarHBondContact O-N 3.23Å; L806-W810 HydrophobicContact CB-CB 4.36Å; L806-W810 HydrophobicContact CD2-CE3 4.15Å; L806-T811 HydrophobicContact CB-CG2 4.45Å
807P53.3Low53.8Low56 Ų5682.7 Ų82.736%0.36440%0.402SS..  trans-55.2147170.5-22.432000111.4T809 W810P807-T809 PolarHBondContact O-N 2.91Å; P807-W810 WeakPolarHBondContact O-CB 3.46Å; P807-W810 PolarHBondContact O-N 3.47Å
808H48.4Very low51.1Low161 Ų16188.6 Ų88.675%0.74543%0.428SS*.Hα-helixtrans-60.2-21.4-178.6-63.316.8000113.2W810 T811 Q812H808-W810 VanDerWaalsContact C-N 3.29Å; H808-W810 PolarHBondContact O-N 2.93Å; H808-T811 WeakPolarHBondContact CA-OG1 3.33Å; H808-T811 PolarHBondContact O-OG1 2.84Å; H808-T811 VanDerWaalsContact O-OG1 3.1Å; H808-Q812 PolarHBondContact O-N 3.07Å; H808-Q812 VanDerWaalsContact O-N 3.17Å
809T44Very low48.7Very low102 Ų10292.4 Ų92.463%0.62646%0.456SS*.Hα-helixtrans-71.4-20.7173.649.80000113.4P807P807-T809 PolarHBondContact O-N 2.91Å
810W46.2Very low46.7Very low29 Ų2994.3 Ų94.311%0.1147%0.469CS..Hα-helixtrans-92.3-18.7179.5-74.251.3000112.7R674 L706 I708 E733 L806 P807 H808R674-W810 WeakPolarHBondContact CD-O 3.4Å; R674-W810 PolarHBondContact NH1-O 3.18Å; L706-W810 HydrophobicContact CD2-CE3 4.19Å; L706-W810 HydrophobicContact CD2-CH2 4.19Å; L706-W810 HydrophobicContact CD2-CZ3 3.84Å; I708-W810 HydrophobicContact CB-CZ3 4.37Å; I708-W810 HydrophobicContact CG1-CE3 4.12Å; I708-W810 HydrophobicContact CG1-CZ3 3.93Å; I708-W810 HydrophobicContact CG2-CZ3 4.44Å; E733-W810 HydrophobicContact CG-CZ2 4.36Å; L806-W810 HydrophobicContact CB-CB 4.36Å; L806-W810 HydrophobicContact CD2-CE3 4.15Å; P807-W810 WeakPolarHBondContact O-CB 3.46Å; P807-W810 PolarHBondContact O-N 3.47Å; H808-W810 VanDerWaalsContact C-N 3.29Å; H808-W810 PolarHBondContact O-N 2.93Å
811T39.9Very low45.5Very low68 Ų6894.9 Ų94.942%0.41747%0.472SS..Hα-helixtrans-94.3-22.6173.948.60000113P803 L806 H808 V813P803-T811 HydrophobicContact CG-CG2 4.16Å; L806-T811 HydrophobicContact CB-CG2 4.45Å; H808-T811 WeakPolarHBondContact CA-OG1 3.33Å; H808-T811 PolarHBondContact O-OG1 2.84Å; H808-T811 VanDerWaalsContact O-OG1 3.1Å; T811-V813 PolarHBondContact O-N 3.13Å; T811-V813 VanDerWaalsContact O-N 3.11Å
812Q38.2Very low45Very low135 Ų13592.5 Ų92.563%0.63146%0.458SS*.  trans-71.1105.6169-83.6-169.52.200110.6H808 T814H808-Q812 PolarHBondContact O-N 3.07Å; H808-Q812 VanDerWaalsContact O-N 3.17Å; Q812-T814 PolarHBondContact O-N 2.94Å; Q812-T814 VanDerWaalsContact O-N 3.07Å
813V39.8Very low44.7Very low61 Ų6186.3 Ų86.337%0.3744%0.441SS..  trans-69.6101.9157.5-164.50000105.9T811 W815T811-V813 PolarHBondContact O-N 3.13Å; T811-V813 VanDerWaalsContact O-N 3.11Å; V813-W815 HydrophobicContact CB-CG 4.42Å; V813-W815 HydrophobicContact CG1-CD2 3.78Å; V813-W815 HydrophobicContact CG1-CG 3.78Å; V813-W815 HydrophobicContact CG1-CZ2 4.24Å; V813-W815 PolarHBondContact O-N 2.92Å
814T36.7Very low44.2Very low91 Ų9191.2 Ų91.256%0.55846%0.462SS*.  trans-65.683.1151.238.30000105.6Q812 F816Q812-T814 PolarHBondContact O-N 2.94Å; Q812-T814 VanDerWaalsContact O-N 3.07Å; T814-F816 WeakPolarHBondContact O-CD2 3.39Å; T814-F816 PolarHBondContact O-N 2.73Å
815W36.1Very low44.2Very low106 Ų10684 Ų8440%0.40243%0.427SS..  trans-59.391.2150.9-67.1103.8000102.6P753 V813 W817 L904P753-W815 HydrophobicContact CB-CH2 3.75Å; P753-W815 HydrophobicContact CB-CZ2 4.42Å; P753-W815 HydrophobicContact CB-CZ3 4.39Å; P753-W815 HydrophobicContact CG-CH2 4.13Å; V813-W815 HydrophobicContact CB-CG 4.42Å; V813-W815 HydrophobicContact CG1-CD2 3.78Å; V813-W815 HydrophobicContact CG1-CG 3.78Å; V813-W815 HydrophobicContact CG1-CZ2 4.24Å; V813-W815 PolarHBondContact O-N 2.92Å; W815-W817 VanDerWaalsContact O-CD1 3.3Å; W815-W817 PolarHBondContact O-N 2.86Å; W815-L904 HydrophobicContact CH2-CD2 4.17Å; W815-L904 HydrophobicContact CZ3-CD2 4.06Å
816F35.6Very low43.9Very low147 Ų14789.8 Ų89.865%0.64545%0.453SS*.  trans-55.7106.5172.5-83.9-89.5000103.2T814 F818T814-F816 WeakPolarHBondContact O-CD2 3.39Å; T814-F816 PolarHBondContact O-N 2.73Å; F816-F818 HydrophobicContact CB-CD2 3.57Å; F816-F818 HydrophobicContact CB-CE2 3.77Å; F816-F818 HydrophobicContact CD1-CE2 4.2Å; F816-F818 HydrophobicContact CG-CD2 4.37Å; F816-F818 HydrophobicContact CG-CE2 4.07Å; F816-F818 PolarHBondContact O-N 3.36Å
817W33.5Very low43.5Very low184 Ų18492.2 Ų92.270%0.69747%0.47SS*.  trans-58.578.8155-64.477.9000103.9W815 C819W815-W817 VanDerWaalsContact O-CD1 3.3Å; W815-W817 PolarHBondContact O-N 2.86Å; W817-C819 PolarHBondContact O-N 3.33Å
818F33.3Very low43.7Very low126 Ų12696.6 Ų96.655%0.55349%0.486SS*.  trans-70.661.6151.3-84.1-76.5000105.9F816 S820F816-F818 HydrophobicContact CB-CD2 3.57Å; F816-F818 HydrophobicContact CB-CE2 3.77Å; F816-F818 HydrophobicContact CD1-CE2 4.2Å; F816-F818 HydrophobicContact CG-CD2 4.37Å; F816-F818 HydrophobicContact CG-CE2 4.07Å; F816-F818 PolarHBondContact O-N 3.36Å; F818-S820 PolarHBondContact O-N 3.08Å
819C35.2Very low44.2Very low99 Ų9993.4 Ų93.467%0.66947%0.474SS*.  trans-66.748.7143.1-81.80000108.6W817 D821W817-C819 PolarHBondContact O-N 3.33Å; C819-D821 VanDerWaalsContact C-N 3.28Å; C819-D821 PolarHBondContact O-N 2.84Å
820S38.6Very low45.1Very low45 Ų4589.1 Ų89.132%0.31545%0.448SS..SBendtrans-62.4111.5132.7-55.40000102.8F818 P822F818-S820 PolarHBondContact O-N 3.08Å; S820-P822 VanDerWaalsContact O-CD 3.3Å; S820-P822 WeakPolarHBondContact O-CD 3.18Å
821D51.3Low45.5Very low25 Ų2590.8 Ų90.813%0.13446%0.464CS..  trans-37.5115.8162.4-173.1-4.8000106C819 L823 Q824 G825 R880 R956C819-D821 VanDerWaalsContact C-N 3.28Å; C819-D821 PolarHBondContact O-N 2.84Å; D821-L823 PolarHBondContact O-N 2.78Å; D821-L823 WeakPolarHBondContact OD1-CB 3.46Å; D821-L823 WeakPolarHBondContact OD1-CD1 3.35Å; D821-L823 PolarHBondContact OD1-N 2.81Å; D821-Q824 HydrophobicContact CB-CB 4.11Å; D821-Q824 HydrophobicContact CB-CG 4.13Å; D821-Q824 PolarHBondContact O-N 3.07Å; D821-G825 PolarHBondContact O-N 2.88Å; D821-R880 IonicContact OD1-CZ 3.7Å; D821-R880 IonicContact OD1-NH1 2.73Å; D821-R880 PolarHBondContact OD1-NH1 3Å; D821-R880 IonicContact OD1-NH2 3.26Å; D821-R880 IonicContact OD2-NH1 3.42Å; D821-R880 PolarHBondContact OD2-NH1 3.32Å; D821-R956 IonicContact OD2-NH1 3.85Å; D821-R956 PolarHBondContact OD2-NH1 2.86Å
822P50.4Low46.6Very low21 Ų2188.3 Ų88.314%0.13645%0.448CS..THydrogen-bonded Turntrans-57.7-13.6-177.120-32000110.5S820 V830 L832 R910S820-P822 VanDerWaalsContact O-CD 3.3Å; S820-P822 WeakPolarHBondContact O-CD 3.18Å; P822-V830 HydrophobicContact CB-CG1 4.29Å; P822-L832 HydrophobicContact CB-CD2 4.14Å; P822-L832 HydrophobicContact CG-CD2 3.83Å; P822-R910 VanDerWaalsContact O-CD 3.28Å; P822-R910 WeakPolarHBondContact O-CD 3.46Å; P822-R910 PolarHBondContact O-NE 3.07Å
823L50.9Low47.3Very low88 Ų8884.6 Ų84.646%0.46143%0.428SS..THydrogen-bonded Turntrans-76.4-22.5171.5-59.3165.4000114D821 R910 V918D821-L823 PolarHBondContact O-N 2.78Å; D821-L823 WeakPolarHBondContact OD1-CB 3.46Å; D821-L823 WeakPolarHBondContact OD1-CD1 3.35Å; D821-L823 PolarHBondContact OD1-N 2.81Å; L823-R910 PolarHBondContact O-NH2 3.02Å; L823-V918 HydrophobicContact CD2-CB 3.93Å; L823-V918 HydrophobicContact CD2-CG2 3.89Å
824Q49.4Very low48.4Very low122 Ų12282.1 Ų82.157%0.5741%0.413SS*.THydrogen-bonded Turntrans-124.9-11.5-171.1-55.4-169.3-3600115.6D821D821-Q824 HydrophobicContact CB-CB 4.11Å; D821-Q824 HydrophobicContact CB-CG 4.13Å; D821-Q824 PolarHBondContact O-N 3.07Å
825G52.4Low49.3Very low12 Ų1279.1 Ų79.112%0.12439%0.394CS..  trans-67.6143.6178.900000114.6D821D821-G825 PolarHBondContact O-N 2.88Å
826E49.3Very low50.2Low197 Ų19774.3 Ų74.392%0.92138%0.377SS*.SBendtrans-80.1-18.9172.7-68.3-170.8160.200113
827S52.1Low50.9Low62 Ų6270.3 Ų70.343%0.43436%0.362SS..  trans-72.6134.3-179.5-51.70000112.5
828E57.1Low51.5Low148 Ų14864.2 Ų64.269%0.69235%0.346SS*.SBendtrans-75.9-28.4176.4-66.1-170.2160.100113L909 R910E828-L909 CarbonylContact O-C 3.53Å; E828-L909 WeakPolarHBondContact O-CA 3.3Å; E828-R910 PolarHBondContact O-N 3.25Å
829L59.3Low51.9Low93 Ų9360.6 Ų60.649%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-97.1132.5175.4-74.7166.8000110.6G907 F908 L909 V925L829-G907 WeakPolarHBondContact CD2-O 3.49Å; L829-F908 CarbonylContact C-O 3.56Å; L829-F908 WeakPolarHBondContact CA-O 3.32Å; L829-L909 HydrophobicContact CD2-CD2 3.73Å; L829-L909 HydrophobicContact CD2-CG 4.25Å; L829-L909 HydrophobicContact CG-CD2 4.19Å; L829-V925 HydrophobicContact CD2-CG2 4.38Å
830V61.5Low51.8Low13 Ų1361.6 Ų61.68%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-133.6141.3-177-168.40000109.8P822 L832 G907 F908 R910P822-V830 HydrophobicContact CB-CG1 4.29Å; V830-L832 HydrophobicContact CG1-CD1 4.23Å; V830-L832 HydrophobicContact CG1-CD2 3.67Å; V830-L832 HydrophobicContact CG1-CG 3.73Å; V830-G907 PolarHBondContact O-N 3.35Å; V830-F908 PolarHBondContact N-O 2.97Å; V830-F908 PolarHBondContact O-N 3.28Å; V830-R910 HydrophobicContact CG2-CB 3.78Å
831S56Low51.3Low64 Ų6466.5 Ų66.545%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-114.4130.8167.9-620000109.1L905 G907S831-L905 CarbonylContact C-O 3.6Å; S831-L905 WeakPolarHBondContact CA-O 3.22Å; S831-G907 PolarHBondContact OG-N 2.9Å
832L61.2Low50.2Low16 Ų1668.5 Ų68.58%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-133.4140.5-170.6-63.1168.4000110.9P822 V830 E834 L882 L905P822-L832 HydrophobicContact CB-CD2 4.14Å; P822-L832 HydrophobicContact CG-CD2 3.83Å; V830-L832 HydrophobicContact CG1-CD1 4.23Å; V830-L832 HydrophobicContact CG1-CD2 3.67Å; V830-L832 HydrophobicContact CG1-CG 3.73Å; L832-E834 HydrophobicContact CB-CG 4.32Å; L832-L882 HydrophobicContact CD1-CD2 3.25Å; L832-L905 HydrophobicContact CB-CB 4.46Å; L832-L905 PolarHBondContact N-O 3.32Å; L832-L905 PolarHBondContact O-N 2.87Å
833Y54.1Low49.1Very low56 Ų5673.8 Ų73.822%0.2238%0.383CS..EExtended strand (participates in β ladder)trans-113.4110.4173.9-177.2-88.4000109Q902 L904 T931Y833-Q902 PolarHBondContact OH-OE1 3.42Å; Y833-L904 HydrophobicContact CD2-CD1 4.49Å; Y833-T931 HydrophobicContact CE2-CG2 4.1Å; Y833-T931 WeakPolarHBondContact CE2-OG1 3.34Å
834E63.1Low48Very low9 Ų970.5 Ų70.54%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-145.7158.1-168.9-65.4-168.4-15500113.7L832 V874 C875 V903L832-E834 HydrophobicContact CB-CG 4.32Å; E834-V874 HydrophobicContact CB-CB 3.72Å; E834-V874 HydrophobicContact CB-CG1 4.4Å; E834-V874 HydrophobicContact CB-CG2 4.4Å; E834-V874 HydrophobicContact CG-CB 4.41Å; E834-V874 WeakPolarHBondContact OE2-CB 3.43Å; E834-V874 WeakPolarHBondContact OE2-CG2 3.19Å; E834-C875 WeakPolarHBondContact CA-O 3.3Å; E834-C875 WeakPolarHBondContact CB-O 3.45Å; E834-C875 PolarHBondContact OE2-N 2.78Å; E834-V903 PolarHBondContact N-O 2.73Å; E834-V903 PolarHBondContact O-N 2.89Å
835V54.7Low47Very low29 Ų2968.1 Ų68.118%0.17636%0.358CS..EExtended strand (participates in β ladder)trans-93.2135175.2-170.20000109.3L837 V874 C875 Q902 L939V835-L837 PolarHBondContact O-N 2.78Å; V835-V874 CarbonylContact O-C 3.55Å; V835-V874 WeakPolarHBondContact O-CA 3.48Å; V835-C875 PolarHBondContact N-O 2.8Å; V835-C875 PolarHBondContact O-N 2.88Å; V835-Q902 HydrophobicContact CG2-CG 4.21Å; V835-L939 HydrophobicContact CG1-CD2 4.45Å
836V55.1Low45.9Very low4 Ų471.2 Ų71.22%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-75.1122.5175.1-176.30000109.7V874 L898 G900 N901 V903V836-V874 HydrophobicContact CG2-CG1 4.45Å; V836-L898 WeakPolarHBondContact CB-O 3.26Å; V836-G900 PolarHBondContact O-N 2.84Å; V836-N901 PolarHBondContact N-O 3Å; V836-V903 HydrophobicContact CG2-CG1 4.07Å; V836-V903 HydrophobicContact CG2-CG2 3.91Å
837L50.2Low44.8Very low64 Ų6467.5 Ų67.534%0.33536%0.355SS..PPolyproline II helixtrans-82.2147.2-179.4-76.6174.7000112.8V835 T873 C875V835-L837 PolarHBondContact O-N 2.78Å; L837-T873 HydrophobicContact CD1-CG2 4.2Å; L837-T873 PolarHBondContact N-O 2.99Å; L837-C875 HydrophobicContact CD1-CB 3.76Å; L837-C875 HydrophobicContact CD2-CB 4.29Å; L837-C875 VanDerWaalsContact CD2-SG 3.51Å; L837-C875 HydrophobicContact CG-CB 3.9Å; L837-C875 VanDerWaalsContact CG-SG 3.58Å
838P46.7Very low43.8Very low55 Ų5572 Ų7236%0.35737%0.374SS..PPolyproline II helixtrans-65.5140169.625.1-30.6000111.7N840 P899P838-N840 PolarHBondContact O-N 3.07Å; P838-P899 HydrophobicContact CB-CB 4.21Å
839N41.7Very low42.4Very low51 Ų5169.9 Ų69.927%0.27337%0.371SS..G310 helixtrans-60.3-17-175.7-131.926.5000114.2W853N839-W853 VanDerWaalsContact ND2-CD1 3.32Å
840N33.8Very low40.9Very low120 Ų12069.5 Ų69.564%0.64237%0.366SS*.G310 helixtrans-93.9-0.9-162.2-71.52.4000116.1P838P838-N840 PolarHBondContact O-N 3.07Å
841K27.2Very low39.4Very low148 Ų14869.8 Ų69.864%0.64337%0.369SS*.G310 helixtrans-112.314.7-173-82.3-170.2176-179.50117.1
842T27.1Very low38.2Very low67 Ų6767.8 Ų67.841%0.41135%0.354SS..  trans-106.776.4169.144.80000112
843E27.8Very low37Very low132 Ų13267.9 Ų67.962%0.61735%0.353SS*.  trans-71.5144.4168.1-77.7-164.1146.300112
844S27.4Very low36.3Very low18 Ų1868.9 Ų68.913%0.12636%0.362CS..  trans66.587.4163.672.90000119.2S1019 T1122 C1123S844-S1019 WeakPolarHBondContact CB-OG 3.41Å; S844-T1122 WeakPolarHBondContact O-CG2 3.33Å; S844-C1123 PolarHBondContact OG-O 3.21Å
845N28.3Very low35.3Very low72 Ų7270.6 Ų70.639%0.38537%0.372SS..  trans-145.6133.2137-140.7-10.1000110.1K850N845-K850 VanDerWaalsContact O-CE 3.27Å; N845-K850 WeakPolarHBondContact O-CE 3.42Å
846K30.8Very low34.5Very low78 Ų7874.4 Ų74.434%0.33939%0.39SS..  trans-89.30.2-178-94.2177.1179.3172.10113.9Q1000 A1001 T1002K846-Q1000 VanDerWaalsContact CE-OE1 3.3Å; K846-A1001 PolarHBondContact NZ-O 3.1Å; K846-A1001 VanDerWaalsContact NZ-O 3.11Å; K846-T1002 HydrophobicContact CD-CG2 3.62Å; K846-T1002 VanDerWaalsContact NZ-CG2 3.32Å; K846-T1002 PolarHBondContact NZ-OG1 3.48Å
847N26.1Very low33.6Very low119 Ų11977.2 Ų77.264%0.63641%0.405SS*.SBendtrans-119.9115.8176.9-65.42.9000108.4
848N30.7Very low32.8Very low156 Ų15679.4 Ų79.483%0.83442%0.417SS*.SBendtrans21124.7170.8-92.4-10.7000118.4
849T28.5Very low32.2Very low103 Ų10386.1 Ų86.163%0.63244%0.441SS*.  trans97.345.4171.370.30000118.4R871T849-R871 PolarHBondContact O-NH1 3.42Å; T849-R871 VanDerWaalsContact O-NH1 3.14Å; T849-R871 PolarHBondContact O-NH2 3.11Å
850K26.7Very low31.7Very low86 Ų8692 Ų9237%0.37447%0.467SS..  trans-62.7135.9155.3-77.2-174.2175.6-173.80110.2N845 T852 R871N845-K850 VanDerWaalsContact O-CE 3.27Å; N845-K850 WeakPolarHBondContact O-CE 3.42Å; K850-T852 PolarHBondContact O-N 3.17Å; K850-T852 PolarHBondContact O-OG1 2.9Å; K850-R871 PolarHBondContact O-NH1 2.77Å
851A29.9Very low31.5Very low18 Ų1889.7 Ų89.715%0.14946%0.46CS..  trans-66.6121.4176.800000109.1R871 T873A851-R871 VanDerWaalsContact CA-NH1 3.33Å; A851-T873 WeakPolarHBondContact CB-OG1 3.28Å
852T30.7Very low31.6Very low22 Ų2289.9 Ų89.914%0.13547%0.474CS..  trans-147.7137.4-171.1-32.70000106.8S491 K850 N854S491-T852 WeakPolarHBondContact O-CG2 2.92Å; S491-T852 WeakPolarHBondContact OG-CG2 3.28Å; K850-T852 PolarHBondContact O-N 3.17Å; K850-T852 PolarHBondContact O-OG1 2.9Å; T852-N854 WeakPolarHBondContact CB-OD1 3.25Å; T852-N854 VanDerWaalsContact CG2-OD1 3.26Å; T852-N854 WeakPolarHBondContact CG2-OD1 3.33Å; T852-N854 PolarHBondContact O-N 3.48Å
853W35.4Very low31.8Very low18 Ų1897 Ų977%0.06849%0.493CS..  trans-69.178.8162-76.174.4000107.1S494 W495 N839 I855 V870 L872 Y893S494-W853 WeakPolarHBondContact CB-O 3.49Å; S494-W853 PolarHBondContact OG-O 3.08Å; W495-W853 HydrophobicContact CB-CB 3.87Å; W495-W853 HydrophobicContact CB-CD2 3.72Å; W495-W853 HydrophobicContact CB-CE3 3.75Å; W495-W853 HydrophobicContact CB-CG 3.8Å; W495-W853 AromaticContact CD1-CE3 3.94Å; W495-W853 AromaticContact CD1-CZ3 3.87Å; W495-W853 AromaticContact CD2-CD2 3.69Å; W495-W853 HydrophobicContact CD2-CD2 3.69Å; W495-W853 AromaticContact CD2-CE2 3.59Å; W495-W853 AromaticContact CD2-CE3 3.87Å; W495-W853 HydrophobicContact CD2-CE3 3.87Å; W495-W853 HydrophobicContact CD2-CG 4.34Å; W495-W853 AromaticContact CD2-CH2 3.87Å; W495-W853 HydrophobicContact CD2-CH2 3.87Å; W495-W853 AromaticContact CD2-CZ2 3.69Å; W495-W853 HydrophobicContact CD2-CZ2 3.69Å; W495-W853 AromaticContact CD2-CZ3 3.95Å; W495-W853 HydrophobicContact CD2-CZ3 3.95Å; W495-W853 AromaticContact CE2-CH2 3.65Å; W495-W853 AromaticContact CE2-CZ2 3.78Å; W495-W853 AromaticContact CE2-CZ3 3.95Å; W495-W853 AromaticContact CE3-CD1 3.99Å; W495-W853 AromaticContact CE3-CD2 3.79Å; W495-W853 HydrophobicContact CE3-CD2 3.79Å; W495-W853 AromaticContact CE3-CE2 3.35Å; W495-W853 HydrophobicContact CE3-CE3 4.43Å; W495-W853 HydrophobicContact CE3-CG 4.16Å; W495-W853 HydrophobicContact CE3-CH2 4.31Å; W495-W853 AromaticContact CE3-CZ2 3.66Å; W495-W853 HydrophobicContact CE3-CZ2 3.66Å; W495-W853 AromaticContact CE3-NE1 3.48Å; W495-W853 AromaticContact CG-CD2 3.69Å; W495-W853 HydrophobicContact CG-CD2 3.69Å; W495-W853 AromaticContact CG-CE3 3.56Å; W495-W853 HydrophobicContact CG-CE3 3.56Å; W495-W853 HydrophobicContact CG-CG 4.25Å; W495-W853 HydrophobicContact CG-CH2 4.29Å; W495-W853 HydrophobicContact CG-CZ2 4.42Å; W495-W853 AromaticContact CG-CZ3 3.87Å; W495-W853 HydrophobicContact CG-CZ3 3.87Å; W495-W853 HydrophobicContact CH2-CH2 4.35Å; W495-W853 AromaticContact CH2-CZ2 3.81Å; W495-W853 HydrophobicContact CH2-CZ2 3.81Å; W495-W853 AromaticContact CZ2-CH2 3.91Å; W495-W853 HydrophobicContact CZ2-CH2 3.91Å; W495-W853 AromaticContact CZ2-CZ2 3.85Å; W495-W853 HydrophobicContact CZ2-CZ2 3.85Å; W495-W853 AromaticContact CZ3-CE2 3.76Å; W495-W853 AromaticContact CZ3-CZ2 3.72Å; W495-W853 HydrophobicContact CZ3-CZ2 3.72Å; W495-W853 AromaticContact CZ3-NE1 3.79Å; W495-W853 AromaticContact NE1-CH2 3.95Å; W495-W853 AromaticContact NE1-CZ3 3.86Å; N839-W853 VanDerWaalsContact ND2-CD1 3.32Å; W853-I855 PolarHBondContact O-N 3.2Å; W853-V870 HydrophobicContact CE3-CG1 3.83Å; W853-V870 HydrophobicContact CE3-CG2 4.32Å; W853-V870 HydrophobicContact CH2-CG1 3.95Å; W853-V870 HydrophobicContact CZ3-CB 4.46Å; W853-V870 HydrophobicContact CZ3-CG1 3.51Å; W853-V870 HydrophobicContact CZ3-CG2 4.05Å; W853-L872 HydrophobicContact CH2-CD2 4.38Å; W853-L872 HydrophobicContact CZ2-CD2 4.3Å; W853-Y893 HydrophobicContact CZ3-CE2 4.4Å
854N39.5Very low32.2Very low77 Ų7799.8 Ų99.841%0.41251%0.506SS..  trans-88.3102.3172.1-73.9-17.8000106.8S491 T852 L856S491-N854 WeakPolarHBondContact CB-OD1 3.47Å; T852-N854 WeakPolarHBondContact CB-OD1 3.25Å; T852-N854 VanDerWaalsContact CG2-OD1 3.26Å; T852-N854 WeakPolarHBondContact CG2-OD1 3.33Å; T852-N854 PolarHBondContact O-N 3.48Å; N854-L856 PolarHBondContact O-N 3.03Å
855I43.6Very low32.9Very low46 Ų46105 Ų10524%0.23653%0.526CS..  trans-57.198.5150.9-61.3169000104.9W853 N857 V867W853-I855 PolarHBondContact O-N 3.2Å; I855-N857 PolarHBondContact O-N 2.85Å; I855-V867 HydrophobicContact CB-CG1 4.29Å; I855-V867 HydrophobicContact CD1-CG2 3.89Å; I855-V867 HydrophobicContact CG1-CB 4.48Å; I855-V867 HydrophobicContact CG1-CG1 3.81Å; I855-V867 HydrophobicContact CG1-CG2 4.07Å; I855-V867 HydrophobicContact CG2-CB 4.02Å; I855-V867 HydrophobicContact CG2-CG1 3.92Å; I855-V867 HydrophobicContact CG2-CG2 3.94Å
856L36.9Very low33.5Very low108 Ų108108.8 Ų108.857%0.56554%0.542SS*.  trans-60.9126.9168.1-80.3137000105.2N854 T868N854-L856 PolarHBondContact O-N 3.03Å; L856-T868 WeakPolarHBondContact CB-OG1 3.48Å; L856-T868 VanDerWaalsContact O-CB 3.26Å; L856-T868 WeakPolarHBondContact O-CB 3.37Å; L856-T868 VanDerWaalsContact O-CG2 3.26Å; L856-T868 WeakPolarHBondContact O-CG2 3.27Å; L856-T868 PolarHBondContact O-N 3.24Å; L856-T868 PolarHBondContact O-OG1 3.29Å
857N37Very low34.3Very low63 Ų63107.4 Ų107.434%0.33754%0.54SS..  trans-118.3111.4172.6-90.9-12.5000105.7I855 K859I855-N857 PolarHBondContact O-N 2.85Å; N857-K859 PolarHBondContact O-N 3.24Å
858N32.5Very low35.6Very low110 Ų110103.9 Ų103.959%0.58852%0.523SS*.  trans-71.2123.9172-164.2-0.6000108.8Q860N858-Q860 PolarHBondContact O-N 3.15Å; N858-Q860 VanDerWaalsContact O-N 3.09Å
859K34Very low37.3Very low197 Ų19796.6 Ų96.686%0.85748%0.484SS*.THydrogen-bonded Turntrans-74.17.7-176.2-79.7-174.5174.8-179.20114N857N857-K859 PolarHBondContact O-N 3.24Å
860Q31Very low39.4Very low175 Ų17592.1 Ų92.182%0.81846%0.457SS*.THydrogen-bonded Turntrans-112.35.4-167.9-93.1175.5-18.400117.4N858N858-Q860 PolarHBondContact O-N 3.15Å; N858-Q860 VanDerWaalsContact O-N 3.09Å
861S29.7Very low41.9Very low71 Ų7189.4 Ų89.450%0.49744%0.444SS..  trans-121.4130.1175.3178.50000112.2K865S861-K865 WeakPolarHBondContact O-CE 3.43Å
862T30.2Very low44.2Very low152 Ų15288.7 Ų88.793%0.93344%0.438SS*.  trans-95.116.4-17937.80000113.7
863R31.7Very low46.3Very low217 Ų21788.8 Ų88.882%0.81944%0.439SS*.SBendtrans-122.6131.8168.2-78.3-178.4167.6174.1-4.6109.6
864E35.9Very low48.2Very low190 Ų19088 Ų8889%0.88844%0.435SS*.  trans15.8101.8176.8-70.7173166.500116E866E864-E866 PolarHBondContact O-N 3.27Å; E864-E866 VanDerWaalsContact O-N 3.09Å
865K41Very low49.5Very low127 Ų12785 Ų8555%0.55242%0.42SS*.  trans-79.891.9-176.2-73.2174.5177.9167.60110.9S861S861-K865 WeakPolarHBondContact O-CE 3.43Å
866E41.3Very low50.5Low151 Ų15184.4 Ų84.471%0.70642%0.418SS*.  trans-70.9157.5168.7-71.8-176.6149.600112.7E864 T868E864-E866 PolarHBondContact O-N 3.27Å; E864-E866 VanDerWaalsContact O-N 3.09Å; E866-T868 VanDerWaalsContact O-CG2 3.31Å; E866-T868 WeakPolarHBondContact O-CG2 3.24Å; E866-T868 PolarHBondContact O-N 2.98Å
867V48.4Very low51.3Low50 Ų5087.3 Ų87.330%0.30343%0.429SS..  trans-64.6111.2176.4169.90000110.2I855 G869 L888I855-V867 HydrophobicContact CB-CG1 4.29Å; I855-V867 HydrophobicContact CD1-CG2 3.89Å; I855-V867 HydrophobicContact CG1-CB 4.48Å; I855-V867 HydrophobicContact CG1-CG1 3.81Å; I855-V867 HydrophobicContact CG1-CG2 4.07Å; I855-V867 HydrophobicContact CG2-CB 4.02Å; I855-V867 HydrophobicContact CG2-CG1 3.92Å; I855-V867 HydrophobicContact CG2-CG2 3.94Å; V867-G869 PolarHBondContact O-N 2.9Å; V867-L888 HydrophobicContact CG1-CD1 4.49Å
868T52.2Low52.1Low45 Ų4588.2 Ų88.228%0.27644%0.439SS..  trans-90.88.1-170.690.30000115.6L856 E866L856-T868 WeakPolarHBondContact CB-OG1 3.48Å; L856-T868 VanDerWaalsContact O-CB 3.26Å; L856-T868 WeakPolarHBondContact O-CB 3.37Å; L856-T868 VanDerWaalsContact O-CG2 3.26Å; L856-T868 WeakPolarHBondContact O-CG2 3.27Å; L856-T868 PolarHBondContact O-N 3.24Å; L856-T868 PolarHBondContact O-OG1 3.29Å; E866-T868 VanDerWaalsContact O-CG2 3.31Å; E866-T868 WeakPolarHBondContact O-CG2 3.24Å; E866-T868 PolarHBondContact O-N 2.98Å
869G66.3Low53.1Low3 Ų385.7 Ų85.73%0.03144%0.439CS..  trans165163.8172.700000116V867 L886V867-G869 PolarHBondContact O-N 2.9Å; G869-L886 CarbonylContact C-O 3.58Å; G869-L886 WeakPolarHBondContact CA-O 3.47Å
870V74.6Confident54.5Low8 Ų879.7 Ų79.75%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-131.9138-178.3173.30000110.3W853 L872 Y885 L886 L888 Y893W853-V870 HydrophobicContact CE3-CG1 3.83Å; W853-V870 HydrophobicContact CE3-CG2 4.32Å; W853-V870 HydrophobicContact CH2-CG1 3.95Å; W853-V870 HydrophobicContact CZ3-CB 4.46Å; W853-V870 HydrophobicContact CZ3-CG1 3.51Å; W853-V870 HydrophobicContact CZ3-CG2 4.05Å; V870-L872 HydrophobicContact CG1-CD2 3.95Å; V870-L872 HydrophobicContact CG1-CG 4.2Å; V870-Y885 CarbonylContact O-C 3.54Å; V870-L886 HydrophobicContact CB-CB 4.24Å; V870-L886 PolarHBondContact N-O 3.29Å; V870-L886 PolarHBondContact O-N 2.93Å; V870-L888 HydrophobicContact CG2-CD1 3.7Å; V870-Y893 HydrophobicContact CG2-CE2 4.21Å
871R78.9Confident56.2Low30 Ų3073.5 Ų73.511%0.11339%0.388CS..EExtended strand (participates in β ladder)trans-108.7115.1171.9179.2-173.5171.6178.2-1.9109.8T849 K850 A851 C883 V884 Y885T849-R871 PolarHBondContact O-NH1 3.42Å; T849-R871 VanDerWaalsContact O-NH1 3.14Å; T849-R871 PolarHBondContact O-NH2 3.11Å; K850-R871 PolarHBondContact O-NH1 2.77Å; A851-R871 VanDerWaalsContact CA-NH1 3.33Å; R871-C883 PolarHBondContact NH2-SG 3.17Å; R871-V884 CarbonylContact C-O 3.5Å; R871-V884 WeakPolarHBondContact CA-O 3.39Å; R871-Y885 HydrophobicContact CB-CD1 4.09Å; R871-Y885 HydrophobicContact CB-CE1 4.12Å; R871-Y885 HydrophobicContact CG-CD1 4.06Å; R871-Y885 HydrophobicContact CG-CE1 3.74Å
872L77.8Confident58.3Low3 Ų370.7 Ų70.72%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-96.3141.2172.5-57.9173.6000110.1W853 V870 C883 V884 L886 L897W853-L872 HydrophobicContact CH2-CD2 4.38Å; W853-L872 HydrophobicContact CZ2-CD2 4.3Å; V870-L872 HydrophobicContact CG1-CD2 3.95Å; V870-L872 HydrophobicContact CG1-CG 4.2Å; L872-C883 WeakPolarHBondContact O-CA 3.38Å; L872-V884 HydrophobicContact CB-CB 4.29Å; L872-V884 PolarHBondContact N-O 2.74Å; L872-V884 PolarHBondContact O-N 2.86Å; L872-L886 HydrophobicContact CD1-CD1 3.67Å; L872-L886 HydrophobicContact CD1-CG 4.25Å; L872-L886 HydrophobicContact CG-CD1 4.25Å; L872-L897 HydrophobicContact CD1-CD1 3.91Å; L872-L897 HydrophobicContact CD1-CD2 4.23Å; L872-L897 HydrophobicContact CD2-CB 4.36Å; L872-L897 HydrophobicContact CD2-CD1 4.36Å
873T75.6Confident60.6Low24 Ų2464.6 Ų64.615%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-111.6114.1165.6-52.80000107.2L837 A851 L882L837-T873 HydrophobicContact CD1-CG2 4.2Å; L837-T873 PolarHBondContact N-O 2.99Å; A851-T873 WeakPolarHBondContact CB-OG1 3.28Å; T873-L882 WeakPolarHBondContact CA-O 3.38Å
874V73.3Confident62.9Low0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-109.5150.7-178-75.10000108.5E834 V835 V836 S881 L882 V884 V903 L905E834-V874 HydrophobicContact CB-CB 3.72Å; E834-V874 HydrophobicContact CB-CG1 4.4Å; E834-V874 HydrophobicContact CB-CG2 4.4Å; E834-V874 HydrophobicContact CG-CB 4.41Å; E834-V874 WeakPolarHBondContact OE2-CB 3.43Å; E834-V874 WeakPolarHBondContact OE2-CG2 3.19Å; V835-V874 CarbonylContact O-C 3.55Å; V835-V874 WeakPolarHBondContact O-CA 3.48Å; V836-V874 HydrophobicContact CG2-CG1 4.45Å; V874-S881 CarbonylContact O-C 3.57Å; V874-S881 VanDerWaalsContact O-CA 3.23Å; V874-S881 WeakPolarHBondContact O-CA 3.03Å; V874-L882 HydrophobicContact CG2-CB 4.1Å; V874-L882 WeakPolarHBondContact CG2-O 3.35Å; V874-L882 PolarHBondContact N-O 3.26Å; V874-L882 PolarHBondContact O-N 3.27Å; V874-V884 HydrophobicContact CG2-CG2 3.62Å; V874-V903 HydrophobicContact CG1-CG2 4.37Å; V874-L905 HydrophobicContact CG2-CD1 4.49Å
875C67.8Low65.1Low15 Ų1549 Ų4910%0.10126%0.264CS..EExtended strand (participates in β ladder)trans-130143.8174.965.80000113.3E834 V835 L837 R880E834-C875 WeakPolarHBondContact CA-O 3.3Å; E834-C875 WeakPolarHBondContact CB-O 3.45Å; E834-C875 PolarHBondContact OE2-N 2.78Å; V835-C875 PolarHBondContact N-O 2.8Å; V835-C875 PolarHBondContact O-N 2.88Å; L837-C875 HydrophobicContact CD1-CB 3.76Å; L837-C875 HydrophobicContact CD2-CB 4.29Å; L837-C875 VanDerWaalsContact CD2-SG 3.51Å; L837-C875 HydrophobicContact CG-CB 3.9Å; L837-C875 VanDerWaalsContact CG-SG 3.58Å; C875-R880 WeakPolarHBondContact CA-O 3.23Å; C875-R880 WeakPolarHBondContact CB-O 3.37Å
876D64.6Low67Low33 Ų3343.4 Ų43.418%0.17624%0.24CC..  trans-77.9172.316975.37.5000111.7S878 G879 R880D876-S878 PolarHBondContact O-N 3.45Å; D876-S878 VanDerWaalsContact O-N 3.12Å; D876-S878 VanDerWaalsContact OD1-CA 3.31Å; D876-S878 WeakPolarHBondContact OD1-CA 3.49Å; D876-S878 WeakPolarHBondContact OD1-CB 3.48Å; D876-S878 PolarHBondContact OD1-N 3.25Å; D876-S878 PolarHBondContact OD1-OG 2.91Å; D876-S878 PolarHBondContact OD2-OG 2.84Å; D876-G879 PolarHBondContact O-N 2.98Å; D876-G879 PolarHBondContact OD1-N 2.98Å; D876-G879 VanDerWaalsContact OD1-N 3.08Å; D876-R880 PolarHBondContact N-O 3.32Å; D876-R880 PolarHBondContact OD1-N 2.66Å; D876-R880 IonicContact OD2-CZ 2.56Å; D876-R880 VanDerWaalsContact OD2-CZ 3.32Å; D876-R880 IonicContact OD2-NE 2.78Å; D876-R880 PolarHBondContact OD2-NE 3.02Å; D876-R880 IonicContact OD2-NH2 3.87Å; D876-R880 PolarHBondContact OD2-NH2 2.78Å
877Q53.8Low68.8Low170 Ų17040 Ų4079%0.79423%0.227SC*.THydrogen-bonded Turntrans-62.5-17.2178.3-58.5178.912.100113.1G879Q877-G879 VanDerWaalsContact C-N 3.34Å
878S52.9Low70.1Confident81 Ų8138.8 Ų38.857%0.56622%0.218SC*.THydrogen-bonded Turntrans-88.7-1177.6780000113.3D876 R880D876-S878 PolarHBondContact O-N 3.45Å; D876-S878 VanDerWaalsContact O-N 3.12Å; D876-S878 VanDerWaalsContact OD1-CA 3.31Å; D876-S878 WeakPolarHBondContact OD1-CA 3.49Å; D876-S878 WeakPolarHBondContact OD1-CB 3.48Å; D876-S878 PolarHBondContact OD1-N 3.25Å; D876-S878 PolarHBondContact OD1-OG 2.91Å; D876-S878 PolarHBondContact OD2-OG 2.84Å; S878-R880 WeakPolarHBondContact OG-CG 3.33Å; S878-R880 PolarHBondContact OG-NE 3.23Å; S878-R880 VanDerWaalsContact OG-NE 3.13Å
879G55.3Low71.1Confident57 Ų5739.8 Ų39.859%0.58823%0.225SC*.  trans81.511.1-178.800000114.1D876 Q877D876-G879 PolarHBondContact O-N 2.98Å; D876-G879 PolarHBondContact OD1-N 2.98Å; D876-G879 VanDerWaalsContact OD1-N 3.08Å; Q877-G879 VanDerWaalsContact C-N 3.34Å
880R62Low71.4Confident71 Ų7144.8 Ų44.827%0.26825%0.247SC..  trans-79.1130.8174.2-66.7-177.3-64.3166.24109.3D821 C875 D876 S878 V958D821-R880 IonicContact OD1-CZ 3.7Å; D821-R880 IonicContact OD1-NH1 2.73Å; D821-R880 PolarHBondContact OD1-NH1 3Å; D821-R880 IonicContact OD1-NH2 3.26Å; D821-R880 IonicContact OD2-NH1 3.42Å; D821-R880 PolarHBondContact OD2-NH1 3.32Å; C875-R880 WeakPolarHBondContact CA-O 3.23Å; C875-R880 WeakPolarHBondContact CB-O 3.37Å; D876-R880 PolarHBondContact N-O 3.32Å; D876-R880 PolarHBondContact OD1-N 2.66Å; D876-R880 IonicContact OD2-CZ 2.56Å; D876-R880 VanDerWaalsContact OD2-CZ 3.32Å; D876-R880 IonicContact OD2-NE 2.78Å; D876-R880 PolarHBondContact OD2-NE 3.02Å; D876-R880 IonicContact OD2-NH2 3.87Å; D876-R880 PolarHBondContact OD2-NH2 2.78Å; S878-R880 WeakPolarHBondContact OG-CG 3.33Å; S878-R880 PolarHBondContact OG-NE 3.23Å; S878-R880 VanDerWaalsContact OG-NE 3.13Å; R880-V958 HydrophobicContact CG-CG2 4.37Å
881S67.1Low71.4Confident46 Ų4646.5 Ų46.532%0.32226%0.257SS..EExtended strand (participates in β ladder)trans-98.7132.4-178.567.80000111.9V874 R1088V874-S881 CarbonylContact O-C 3.57Å; V874-S881 VanDerWaalsContact O-CA 3.23Å; V874-S881 WeakPolarHBondContact O-CA 3.03Å; S881-R1088 PolarHBondContact OG-NH2 2.86Å
882L73.1Confident71.4Confident12 Ų1246.4 Ų46.46%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-115.9145.1170-177.870.6000110.4L832 T873 V874 V918L832-L882 HydrophobicContact CD1-CD2 3.25Å; T873-L882 WeakPolarHBondContact CA-O 3.38Å; V874-L882 HydrophobicContact CG2-CB 4.1Å; V874-L882 WeakPolarHBondContact CG2-O 3.35Å; V874-L882 PolarHBondContact N-O 3.26Å; V874-L882 PolarHBondContact O-N 3.27Å; L882-V918 HydrophobicContact CD1-CG1 4.33Å
883C78.4Confident71.4Confident24 Ų2447.2 Ų47.216%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-98.3130.4174.1-67.80000110.3R871 L872 Y885 Y919 C920R871-C883 PolarHBondContact NH2-SG 3.17Å; L872-C883 WeakPolarHBondContact O-CA 3.38Å; C883-Y885 HydrophobicContact CB-CE2 3.87Å; C883-Y919 WeakPolarHBondContact O-CA 3.25Å; C883-Y919 WeakPolarHBondContact O-CB 3.34Å; C883-C920 PolarHBondContact O-N 3.4Å
884V80.9Confident71.6Confident0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-118.1123.5176.1-174.40000108R871 L872 V874 L886 L905 F908 C920R871-V884 CarbonylContact C-O 3.5Å; R871-V884 WeakPolarHBondContact CA-O 3.39Å; L872-V884 HydrophobicContact CB-CB 4.29Å; L872-V884 PolarHBondContact N-O 2.74Å; L872-V884 PolarHBondContact O-N 2.86Å; V874-V884 HydrophobicContact CG2-CG2 3.62Å; V884-L886 HydrophobicContact CG1-CD2 3.95Å; V884-L905 HydrophobicContact CG1-CD1 4.43Å; V884-L905 HydrophobicContact CG2-CD1 3.69Å; V884-F908 HydrophobicContact CG1-CD1 3.89Å; V884-F908 HydrophobicContact CG1-CE1 3.63Å; V884-C920 WeakPolarHBondContact CA-O 3.48Å; V884-C920 HydrophobicContact CG1-CB 4.3Å; V884-C920 HydrophobicContact CG2-CB 4.15Å
885Y82.8Confident72Confident78 Ų7847.5 Ų47.531%0.30627%0.266SS..EExtended strand (participates in β ladder)trans-106.5108.1-179.6-66.7-93.6000109.1V870 R871 C883 Y919 C920 P922V870-Y885 CarbonylContact O-C 3.54Å; R871-Y885 HydrophobicContact CB-CD1 4.09Å; R871-Y885 HydrophobicContact CB-CE1 4.12Å; R871-Y885 HydrophobicContact CG-CD1 4.06Å; R871-Y885 HydrophobicContact CG-CE1 3.74Å; C883-Y885 HydrophobicContact CB-CE2 3.87Å; Y885-Y919 AromaticContact CD2-CD2 3.56Å; Y885-Y919 HydrophobicContact CD2-CD2 3.56Å; Y885-Y919 HydrophobicContact CD2-CE2 4.25Å; Y885-Y919 HydrophobicContact CD2-CG 4.13Å; Y885-Y919 AromaticContact CE2-CD2 3.91Å; Y885-Y919 HydrophobicContact CE2-CD2 3.91Å; Y885-Y919 HydrophobicContact CE2-CG 4.03Å; Y885-C920 PolarHBondContact N-O 3.29Å; Y885-P922 WeakPolarHBondContact O-CD 3.49Å
886L80.6Confident72.6Confident10 Ų1046.8 Ų46.85%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-88.4126.4177.6-55.3-179.1000110.3G869 V870 L872 V884 L888 L897 F908 P922 I928G869-L886 CarbonylContact C-O 3.58Å; G869-L886 WeakPolarHBondContact CA-O 3.47Å; V870-L886 HydrophobicContact CB-CB 4.24Å; V870-L886 PolarHBondContact N-O 3.29Å; V870-L886 PolarHBondContact O-N 2.93Å; L872-L886 HydrophobicContact CD1-CD1 3.67Å; L872-L886 HydrophobicContact CD1-CG 4.25Å; L872-L886 HydrophobicContact CG-CD1 4.25Å; V884-L886 HydrophobicContact CG1-CD2 3.95Å; L886-L888 HydrophobicContact CB-CD2 4.43Å; L886-L897 HydrophobicContact CD1-CD1 3.82Å; L886-F908 HydrophobicContact CD2-CE1 3.73Å; L886-F908 HydrophobicContact CD2-CZ 4.07Å; L886-P922 HydrophobicContact CD2-CG 4.47Å; L886-I928 HydrophobicContact CD1-CD1 3.96Å; L886-I928 HydrophobicContact CD2-CD1 3.88Å
887D78.4Confident73.5Confident80 Ų8045.2 Ų45.243%0.42825%0.253SS..  trans-98.1116.6169.5-174.5-9.8000108.9T889 T891D887-T889 VanDerWaalsContact CG-OG1 3.28Å; D887-T889 WeakPolarHBondContact OD1-CB 3.35Å; D887-T889 WeakPolarHBondContact OD1-CG2 3.37Å; D887-T889 PolarHBondContact OD1-N 2.96Å; D887-T889 PolarHBondContact OD1-OG1 3.48Å; D887-T889 PolarHBondContact OD2-OG1 3.01Å; D887-T891 PolarHBondContact O-OG1 2.89Å
888L75Confident74.9Confident24 Ų2437.3 Ų37.313%0.12622%0.216CC..  trans-100.16.9-174.8-58.9178.5000112.8V867 V870 L886 H890 T891 Y893V867-L888 HydrophobicContact CG1-CD1 4.49Å; V870-L888 HydrophobicContact CG2-CD1 3.7Å; L886-L888 HydrophobicContact CB-CD2 4.43Å; L888-H890 PolarHBondContact O-N 3.04Å; L888-T891 VanDerWaalsContact O-O 3.06Å; L888-Y893 HydrophobicContact CD1-CD2 3.79Å
889T73.3Confident76.1Confident67 Ų6734.1 Ų34.141%0.41119%0.193SC..SBendtrans-59.2-34.1179.350.20000113.2D887D887-T889 VanDerWaalsContact CG-OG1 3.28Å; D887-T889 WeakPolarHBondContact OD1-CB 3.35Å; D887-T889 WeakPolarHBondContact OD1-CG2 3.37Å; D887-T889 PolarHBondContact OD1-N 2.96Å; D887-T889 PolarHBondContact OD1-OG1 3.48Å; D887-T889 PolarHBondContact OD2-OG1 3.01Å
890H73.5Confident76.9Confident108 Ų10831.7 Ų31.750%0.517%0.168SC..SBendtrans-127.710.9-177.9-61.7-63.5000113.2A682 W683 L888A682-H890 WeakPolarHBondContact CA-O 3.49Å; W683-H890 PolarHBondContact N-O 3.05Å; L888-H890 PolarHBondContact O-N 3.04Å
891T75.4Confident77.8Confident43 Ų4328.6 Ų28.626%0.26416%0.157SC..SBendtrans-132134.9177.7600000110A682 D887 L888A682-T891 HydrophobicContact CB-CG2 3.87Å; D887-T891 PolarHBondContact O-OG1 2.89Å; L888-T891 VanDerWaalsContact O-O 3.06Å
892P77.1Confident78.3Confident29 Ų2928.4 Ų28.419%0.18815%0.151CC..PPolyproline II helixtrans-67150.7173.331.2-34.3000109.5Q532 V681 L699 P894Q532-P892 HydrophobicContact CG-CG 4.42Å; V681-P892 WeakPolarHBondContact O-CD 3.34Å; L699-P892 HydrophobicContact CD1-CG 4.23Å; P892-P894 WeakPolarHBondContact O-CD 3.07Å
893Y78.5Confident78.8Confident20 Ų2027.8 Ų27.88%0.07815%0.148CC..PPolyproline II helixtrans-64.4123.9178.8178.5-102000110.9E582 F584 R607 W853 V870 L888 L897E582-Y893 WeakPolarHBondContact OE2-CE1 3.45Å; E582-Y893 PolarHBondContact OE2-OH 2.78Å; F584-Y893 HydrophobicContact CZ-CE1 4.2Å; R607-Y893 VanDerWaalsContact NH1-CG 3.31Å; W853-Y893 HydrophobicContact CZ3-CE2 4.4Å; V870-Y893 HydrophobicContact CG2-CE2 4.21Å; L888-Y893 HydrophobicContact CD1-CD2 3.79Å; Y893-L897 HydrophobicContact CE2-CD1 4.49Å
894P79.9Confident78.9Confident15 Ų1528.1 Ų28.110%0.09715%0.148CC..PPolyproline II helixtrans-79.3123.5178.426.7-25.2000109.9P892 L897 I928P892-P894 WeakPolarHBondContact O-CD 3.07Å; P894-L897 HydrophobicContact CG-CD1 3.71Å; P894-L897 HydrophobicContact CG-CG 4.32Å; P894-I928 HydrophobicContact CG-CD1 3.89Å
895P82.2Confident78.9Confident15 Ų1528.1 Ų28.110%0.09715%0.148CC..THydrogen-bonded Turntrans-74.4157-179.334-37.2000111.1F530 I546 Y609F530-P895 HydrophobicContact CD1-CB 3.93Å; F530-P895 HydrophobicContact CD1-CG 3.98Å; F530-P895 HydrophobicContact CE1-CB 4.03Å; I546-P895 HydrophobicContact CD1-CB 3.89Å; I546-P895 HydrophobicContact CD1-CG 4.13Å; I546-P895 WeakPolarHBondContact CD1-O 3.44Å; I546-P895 HydrophobicContact CG1-CB 4.49Å; I546-P895 HydrophobicContact CG1-CG 4.36Å; Y609-P895 HydrophobicContact CD1-CB 4.33Å; Y609-P895 HydrophobicContact CE1-CB 4.19Å
896G79.7Confident78.8Confident0 Ų025.6 Ų25.60%014%0.141CC..THydrogen-bonded Turntrans88.69175.200000116.3I546 Y609 L898 N901I546-G896 VanDerWaalsContact CD1-N 3.31Å; Y609-G896 WeakPolarHBondContact OH-CA 3.43Å; Y609-G896 PolarHBondContact OH-N 3.08Å; Y609-G896 VanDerWaalsContact OH-N 3.07Å; G896-L898 PolarHBondContact O-N 3.36Å; G896-N901 PolarHBondContact O-ND2 3.3Å
897L84.5Confident78.6Confident0 Ų025.8 Ų25.80%015%0.146CC..  trans-74.447.6171.3-59.9-179.4000112.6L872 L886 Y893 P894 V903 I928L872-L897 HydrophobicContact CD1-CD1 3.91Å; L872-L897 HydrophobicContact CD1-CD2 4.23Å; L872-L897 HydrophobicContact CD2-CB 4.36Å; L872-L897 HydrophobicContact CD2-CD1 4.36Å; L886-L897 HydrophobicContact CD1-CD1 3.82Å; Y893-L897 HydrophobicContact CE2-CD1 4.49Å; P894-L897 HydrophobicContact CG-CD1 3.71Å; P894-L897 HydrophobicContact CG-CG 4.32Å; L897-V903 HydrophobicContact CD2-CG1 4.2Å; L897-I928 HydrophobicContact CD2-CG2 3.82Å
898L82Confident78.8Confident4 Ų422.1 Ų22.12%0.02113%0.126CC..  trans-87.1145.1-178.6-56.8179.1000111W495 Y497 T499 V580 E582 V836 G896 G900 N901W495-L898 HydrophobicContact CH2-CD2 4.24Å; W495-L898 HydrophobicContact CZ2-CD2 4Å; Y497-L898 HydrophobicContact CD2-CD1 4.49Å; Y497-L898 HydrophobicContact CD2-CD2 4.08Å; Y497-L898 HydrophobicContact CG-CD2 4.1Å; T499-L898 HydrophobicContact CG2-CD1 4.41Å; V580-L898 HydrophobicContact CB-CD1 4.29Å; V580-L898 HydrophobicContact CG1-CD1 3.56Å; V580-L898 HydrophobicContact CG1-CD2 3.95Å; V580-L898 HydrophobicContact CG1-CG 4.32Å; V580-L898 HydrophobicContact CG2-CD1 3.72Å; E582-L898 HydrophobicContact CG-CD2 4.06Å; V836-L898 WeakPolarHBondContact CB-O 3.26Å; G896-L898 PolarHBondContact O-N 3.36Å; L898-G900 PolarHBondContact O-N 3.24Å; L898-N901 WeakPolarHBondContact O-CB 3.37Å; L898-N901 PolarHBondContact O-N 2.91Å; L898-N901 VanDerWaalsContact O-N 3.1Å
899P77.9Confident79.2Confident14 Ų1423.1 Ų23.19%0.09113%0.132CC..THydrogen-bonded Turntrans-51.2128.7167.9-28.236.3000112.1W495 Y497 P838W495-P899 HydrophobicContact CH2-CG 4.42Å; W495-P899 HydrophobicContact CZ3-CG 4.45Å; Y497-P899 HydrophobicContact CE1-CG 3.9Å; P838-P899 HydrophobicContact CB-CB 4.21Å
900G72.6Confident79.6Confident6 Ų622.4 Ų22.46%0.06212%0.121CC..THydrogen-bonded Turntrans96.9-21.3-177.900000115.3V836 L898 G934V836-G900 PolarHBondContact O-N 2.84Å; L898-G900 PolarHBondContact O-N 3.24Å; G900-G934 VanDerWaalsContact O-CA 3.31Å; G900-G934 WeakPolarHBondContact O-CA 2.87Å
901N80.3Confident79.9Confident5 Ų523 Ų233%0.02712%0.119CC..  trans-70.5148.8173.9-72.6-0.8000110.8Q611 V836 G896 L898 V930 G934Q611-N901 PolarHBondContact NE2-ND2 3.24Å; V836-N901 PolarHBondContact N-O 3Å; G896-N901 PolarHBondContact O-ND2 3.3Å; L898-N901 WeakPolarHBondContact O-CB 3.37Å; L898-N901 PolarHBondContact O-N 2.91Å; L898-N901 VanDerWaalsContact O-N 3.1Å; N901-V930 HydrophobicContact CB-CG1 4.5Å; N901-G934 PolarHBondContact OD1-N 2.85Å
902Q79.3Confident79.8Confident42 Ų4225.8 Ų25.820%0.19613%0.131CC..EExtended strand (participates in β ladder)trans-95.1131.2172.5-58.6-175.8-31.200109.3Y833 V835 T931 S932Y833-Q902 PolarHBondContact OH-OE1 3.42Å; V835-Q902 HydrophobicContact CG2-CG 4.21Å; Q902-T931 PolarHBondContact O-N 3.03Å; Q902-T931 PolarHBondContact O-OG1 2.93Å; Q902-S932 VanDerWaalsContact CB-OG 3.25Å; Q902-S932 WeakPolarHBondContact CB-OG 2.93Å; Q902-S932 WeakPolarHBondContact CG-OG 3.43Å; Q902-S932 PolarHBondContact N-O 3.34Å; Q902-S932 PolarHBondContact OE1-OG 2.88Å
903V81.6Confident79.5Confident0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-127.9139.7-176.3-62.70000110.8E834 V836 V874 L897 L905 I928 T929 V930E834-V903 PolarHBondContact N-O 2.73Å; E834-V903 PolarHBondContact O-N 2.89Å; V836-V903 HydrophobicContact CG2-CG1 4.07Å; V836-V903 HydrophobicContact CG2-CG2 3.91Å; V874-V903 HydrophobicContact CG1-CG2 4.37Å; L897-V903 HydrophobicContact CD2-CG1 4.2Å; V903-L905 HydrophobicContact CG2-CD2 4.39Å; V903-L905 HydrophobicContact CG2-CG 4.47Å; V903-I928 HydrophobicContact CB-CG2 4.47Å; V903-T929 CarbonylContact C-O 3.55Å; V903-T929 WeakPolarHBondContact CA-O 3.48Å; V903-V930 HydrophobicContact CG1-CG2 4.36Å
904L80.9Confident79.1Confident30 Ų3037.7 Ų37.716%0.15718%0.177CC..EExtended strand (participates in β ladder)trans-98.6119.5168.2177.865.7000108.3W815 Y833 I928 T929 T931W815-L904 HydrophobicContact CH2-CD2 4.17Å; W815-L904 HydrophobicContact CZ3-CD2 4.06Å; Y833-L904 HydrophobicContact CD2-CD1 4.49Å; L904-I928 WeakPolarHBondContact O-CA 3.48Å; L904-T929 PolarHBondContact N-O 3.19Å; L904-T929 PolarHBondContact O-N 3.02Å; L904-T931 HydrophobicContact CB-CG2 3.92Å
905L81.8Confident78.1Confident1 Ų140 Ų401%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-103.5113.1174.5-57.5178.5000107.5S831 L832 V874 V884 V903 F908 I928S831-L905 CarbonylContact C-O 3.6Å; S831-L905 WeakPolarHBondContact CA-O 3.22Å; L832-L905 HydrophobicContact CB-CB 4.46Å; L832-L905 PolarHBondContact N-O 3.32Å; L832-L905 PolarHBondContact O-N 2.87Å; V874-L905 HydrophobicContact CG2-CD1 4.49Å; V884-L905 HydrophobicContact CG1-CD1 4.43Å; V884-L905 HydrophobicContact CG2-CD1 3.69Å; V903-L905 HydrophobicContact CG2-CD2 4.39Å; V903-L905 HydrophobicContact CG2-CG 4.47Å; L905-F908 HydrophobicContact CB-CD2 3.66Å; L905-F908 HydrophobicContact CB-CE2 3.7Å; L905-F908 HydrophobicContact CB-CG 4.41Å; L905-F908 HydrophobicContact CD2-CE2 3.9Å; L905-F908 HydrophobicContact CD2-CZ 4Å; L905-F908 HydrophobicContact CG-CE2 4.34Å; L905-I928 HydrophobicContact CD2-CB 4.28Å; L905-I928 HydrophobicContact CD2-CD1 4.28Å; L905-I928 HydrophobicContact CD2-CG1 3.71Å; L905-I928 HydrophobicContact CD2-CG2 3.84Å
906S81Confident77Confident24 Ų2441.8 Ų41.817%0.16822%0.215CC..EExtended strand (participates in β ladder)trans-113.1143.9178.460.70000111.4F908 S926 C927S906-F908 VanDerWaalsContact C-N 3.34Å; S906-F908 WeakPolarHBondContact O-CD2 3.27Å; S906-F908 PolarHBondContact O-N 2.85Å; S906-S926 CarbonylContact O-C 3.5Å; S906-S926 WeakPolarHBondContact O-CA 3.27Å; S906-C927 PolarHBondContact N-O 2.81Å; S906-C927 PolarHBondContact O-N 3.45Å; S906-C927 WeakPolarHBondContact OG-CB 3.44Å; S906-C927 PolarHBondContact OG-O 2.95Å
907G76.5Confident76.4Confident15 Ų1543.9 Ų43.916%0.15523%0.23CC..EExtended strand (participates in β ladder)trans6531.8174.700000114.6L829 V830 S831 S923 S926L829-G907 WeakPolarHBondContact CD2-O 3.49Å; V830-G907 PolarHBondContact O-N 3.35Å; S831-G907 PolarHBondContact OG-N 2.9Å; G907-S923 PolarHBondContact O-OG 2.86Å; G907-S923 VanDerWaalsContact O-OG 3.12Å; G907-S926 PolarHBondContact O-OG 2.63Å
908F82.3Confident75.8Confident2 Ų245 Ų451%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-85.1143.4177.6-85.6-101.1000111.5L829 V830 V884 L886 L905 S906 C920 P922 I928L829-F908 CarbonylContact C-O 3.56Å; L829-F908 WeakPolarHBondContact CA-O 3.32Å; V830-F908 PolarHBondContact N-O 2.97Å; V830-F908 PolarHBondContact O-N 3.28Å; V884-F908 HydrophobicContact CG1-CD1 3.89Å; V884-F908 HydrophobicContact CG1-CE1 3.63Å; L886-F908 HydrophobicContact CD2-CE1 3.73Å; L886-F908 HydrophobicContact CD2-CZ 4.07Å; L905-F908 HydrophobicContact CB-CD2 3.66Å; L905-F908 HydrophobicContact CB-CE2 3.7Å; L905-F908 HydrophobicContact CB-CG 4.41Å; L905-F908 HydrophobicContact CD2-CE2 3.9Å; L905-F908 HydrophobicContact CD2-CZ 4Å; L905-F908 HydrophobicContact CG-CE2 4.34Å; S906-F908 VanDerWaalsContact C-N 3.34Å; S906-F908 WeakPolarHBondContact O-CD2 3.27Å; S906-F908 PolarHBondContact O-N 2.85Å; F908-C920 HydrophobicContact CB-CB 4.24Å; F908-C920 HydrophobicContact CD1-CB 4.35Å; F908-P922 HydrophobicContact CD1-CB 4.49Å; F908-P922 HydrophobicContact CE1-CB 3.98Å; F908-I928 HydrophobicContact CE2-CG1 3.88Å; F908-I928 HydrophobicContact CZ-CD1 3.9Å; F908-I928 HydrophobicContact CZ-CG1 3.61Å
909L82.9Confident75.7Confident45 Ų4547.7 Ų47.724%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-82.6122.5176.2-69.4167.9000110.3E828 L829 C920 S921E828-L909 CarbonylContact O-C 3.53Å; E828-L909 WeakPolarHBondContact O-CA 3.3Å; L829-L909 HydrophobicContact CD2-CD2 3.73Å; L829-L909 HydrophobicContact CD2-CG 4.25Å; L829-L909 HydrophobicContact CG-CD2 4.19Å; L909-C920 CarbonylContact O-C 3.34Å; L909-C920 VanDerWaalsContact O-CA 3.25Å; L909-C920 WeakPolarHBondContact O-CA 3.36Å; L909-S921 WeakPolarHBondContact CB-O 3.41Å; L909-S921 PolarHBondContact N-O 2.78Å; L909-S921 PolarHBondContact O-N 3.41Å
910R81.7Confident75.9Confident52 Ų5247 Ų4720%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-74131167.9179.2-176.8174.8-98.25.4109.7P822 L823 E828 V830 V918P822-R910 VanDerWaalsContact O-CD 3.28Å; P822-R910 WeakPolarHBondContact O-CD 3.46Å; P822-R910 PolarHBondContact O-NE 3.07Å; L823-R910 PolarHBondContact O-NH2 3.02Å; E828-R910 PolarHBondContact O-N 3.25Å; V830-R910 HydrophobicContact CG2-CB 3.78Å; R910-V918 HydrophobicContact CG-CG1 3.74Å
911R79.5Confident76.4Confident122 Ų12247.3 Ų47.346%0.4624%0.244SC..EExtended strand (participates in β ladder)trans-129.5149175.6-64.8-168.6-178.3-156.53.1110.7V918 Y919 S921R911-V918 CarbonylContact O-C 3.59Å; R911-V918 WeakPolarHBondContact O-CA 3.46Å; R911-Y919 HydrophobicContact CB-CD1 4.05Å; R911-Y919 HydrophobicContact CB-CD2 4.05Å; R911-Y919 HydrophobicContact CB-CE1 3.57Å; R911-Y919 HydrophobicContact CB-CE2 3.61Å; R911-Y919 HydrophobicContact CB-CG 4.28Å; R911-Y919 WeakPolarHBondContact CD-OH 3.47Å; R911-Y919 HydrophobicContact CG-CE2 4.13Å; R911-Y919 PolarHBondContact N-O 2.8Å; R911-Y919 PolarHBondContact O-N 2.94Å; R911-Y919 VanDerWaalsContact O-O 3.14Å; R911-S921 PolarHBondContact NE-OG 2.88Å
912I73.6Confident76.4Confident100 Ų10048.6 Ų48.651%0.51325%0.253SS..EExtended strand (participates in β ladder)trans-112.2121.4174.2-57.9168.3000107.5V918I912-V918 HydrophobicContact CG1-CG2 4.38Å
913S71.6Confident76.3Confident32 Ų3247.8 Ų47.822%0.22425%0.251CS..  trans-69162.9175.162.10000111.5S915 G916 S917S913-S915 PolarHBondContact O-N 3.11Å; S913-S915 PolarHBondContact OG-OG 2.82Å; S913-G916 PolarHBondContact O-N 3.37Å; S913-S917 WeakPolarHBondContact CB-O 2.98Å; S913-S917 PolarHBondContact N-O 2.78Å; S913-S917 WeakPolarHBondContact OG-CA 3.43Å; S913-S917 VanDerWaalsContact OG-CB 3.31Å; S913-S917 WeakPolarHBondContact OG-CB 3.29Å; S913-S917 PolarHBondContact OG-N 2.83Å; S913-S917 PolarHBondContact OG-O 2.83Å
914R69.6Low75.8Confident267 Ų26752.1 Ų52.1100%1.00828%0.279SS*.THydrogen-bonded Turntrans-57.9-22.6174.5-62.6-178-175.9-179.40.5113.3G916R914-G916 VanDerWaalsContact C-N 3.32Å
915S57.8Low75.4Confident64 Ų6454 Ų5445%0.44829%0.292SS..THydrogen-bonded Turntrans-86.63.7174.850.60000113.9S913 S917 N1092S913-S915 PolarHBondContact O-N 3.11Å; S913-S915 PolarHBondContact OG-OG 2.82Å; S915-S917 VanDerWaalsContact C-N 3.3Å; S915-S917 PolarHBondContact O-N 2.93Å; S915-S917 PolarHBondContact OG-OG 2.59Å; S915-N1092 PolarHBondContact O-OD1 3.44Å
916G60.2Low75.5Confident53 Ų5354.6 Ų54.655%0.54630%0.296SS..SBendtrans80.73.6-178.800000114.7S913 R914S913-G916 PolarHBondContact O-N 3.37Å; R914-G916 VanDerWaalsContact C-N 3.32Å
917S66.2Low75.6Confident44 Ų4453.6 Ų53.631%0.30829%0.289SS..  trans-79.7132.2177.6-42.80000110.7S913 S915S913-S917 WeakPolarHBondContact CB-O 2.98Å; S913-S917 PolarHBondContact N-O 2.78Å; S913-S917 WeakPolarHBondContact OG-CA 3.43Å; S913-S917 VanDerWaalsContact OG-CB 3.31Å; S913-S917 WeakPolarHBondContact OG-CB 3.29Å; S913-S917 PolarHBondContact OG-N 2.83Å; S913-S917 PolarHBondContact OG-O 2.83Å; S915-S917 VanDerWaalsContact C-N 3.3Å; S915-S917 PolarHBondContact O-N 2.93Å; S915-S917 PolarHBondContact OG-OG 2.59Å
918V72.4Confident75.9Confident24 Ų2454.2 Ų54.215%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-82.7137.8176.2-175.40000110.1L823 L882 R910 R911 I912L823-V918 HydrophobicContact CD2-CB 3.93Å; L823-V918 HydrophobicContact CD2-CG2 3.89Å; L882-V918 HydrophobicContact CD1-CG1 4.33Å; R910-V918 HydrophobicContact CG-CG1 3.74Å; R911-V918 CarbonylContact O-C 3.59Å; R911-V918 WeakPolarHBondContact O-CA 3.46Å; I912-V918 HydrophobicContact CG1-CG2 4.38Å
919Y79.1Confident75.8Confident59 Ų5955 Ų5523%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-146.7163.7173.967.9-85.4000110.2C883 Y885 R911C883-Y919 WeakPolarHBondContact O-CA 3.25Å; C883-Y919 WeakPolarHBondContact O-CB 3.34Å; Y885-Y919 AromaticContact CD2-CD2 3.56Å; Y885-Y919 HydrophobicContact CD2-CD2 3.56Å; Y885-Y919 HydrophobicContact CD2-CE2 4.25Å; Y885-Y919 HydrophobicContact CD2-CG 4.13Å; Y885-Y919 AromaticContact CE2-CD2 3.91Å; Y885-Y919 HydrophobicContact CE2-CD2 3.91Å; Y885-Y919 HydrophobicContact CE2-CG 4.03Å; R911-Y919 HydrophobicContact CB-CD1 4.05Å; R911-Y919 HydrophobicContact CB-CD2 4.05Å; R911-Y919 HydrophobicContact CB-CE1 3.57Å; R911-Y919 HydrophobicContact CB-CE2 3.61Å; R911-Y919 HydrophobicContact CB-CG 4.28Å; R911-Y919 WeakPolarHBondContact CD-OH 3.47Å; R911-Y919 HydrophobicContact CG-CE2 4.13Å; R911-Y919 PolarHBondContact N-O 2.8Å; R911-Y919 PolarHBondContact O-N 2.94Å; R911-Y919 VanDerWaalsContact O-O 3.14Å
920C83.1Confident75.8Confident0 Ų053.7 Ų53.70%029%0.287CS..EExtended strand (participates in β ladder)trans-111.3148176.4-72.60000112C883 V884 Y885 F908 L909C883-C920 PolarHBondContact O-N 3.4Å; V884-C920 WeakPolarHBondContact CA-O 3.48Å; V884-C920 HydrophobicContact CG1-CB 4.3Å; V884-C920 HydrophobicContact CG2-CB 4.15Å; Y885-C920 PolarHBondContact N-O 3.29Å; F908-C920 HydrophobicContact CB-CB 4.24Å; F908-C920 HydrophobicContact CD1-CB 4.35Å; L909-C920 CarbonylContact O-C 3.34Å; L909-C920 VanDerWaalsContact O-CA 3.25Å; L909-C920 WeakPolarHBondContact O-CA 3.36Å
921S83.1Confident75.5Confident12 Ų1251.6 Ų51.68%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-132.6146.8172.960.20000110L909 R911L909-S921 WeakPolarHBondContact CB-O 3.41Å; L909-S921 PolarHBondContact N-O 2.78Å; L909-S921 PolarHBondContact O-N 3.41Å; R911-S921 PolarHBondContact NE-OG 2.88Å
922P80.2Confident75.3Confident33 Ų3346.3 Ų46.321%0.21426%0.262CS..  trans-68.9157.5177.531.4-36.5000111.2Y885 L886 F908 S926Y885-P922 WeakPolarHBondContact O-CD 3.49Å; L886-P922 HydrophobicContact CD2-CG 4.47Å; F908-P922 HydrophobicContact CD1-CB 4.49Å; F908-P922 HydrophobicContact CE1-CB 3.98Å; P922-S926 WeakPolarHBondContact CA-OG 3.42Å
923S77.2Confident75.7Confident24 Ų2443.9 Ų43.917%0.16825%0.25CC..  trans-129.7171.2168.275.20000108.5G907 V925 S926G907-S923 PolarHBondContact O-OG 2.86Å; G907-S923 VanDerWaalsContact O-OG 3.12Å; S923-V925 PolarHBondContact O-N 3.16Å; S923-V925 WeakPolarHBondContact OG-CG2 3.29Å; S923-V925 PolarHBondContact OG-N 2.87Å; S923-S926 PolarHBondContact N-OG 3Å; S923-S926 VanDerWaalsContact O-CB 3.27Å; S923-S926 WeakPolarHBondContact O-CB 3.17Å; S923-S926 PolarHBondContact O-N 2.8Å; S923-S926 PolarHBondContact O-OG 3.01Å; S923-S926 PolarHBondContact OG-OG 3.05Å
924P70.3Confident75.3Confident91 Ų9143.6 Ų43.659%0.59125%0.252SS*.THydrogen-bonded Turntrans-60.3-18.2178.1-25.435.6000114.9R684R684-P924 PolarHBondContact NH2-O 2.82Å
925V73.7Confident74.7Confident71 Ų7135.2 Ų35.243%0.4323%0.227SC..THydrogen-bonded Turntrans-95.3-2.5175.1-61.20000112.7G679 L829 S923G679-V925 WeakPolarHBondContact CA-O 3.28Å; L829-V925 HydrophobicContact CD2-CG2 4.38Å; S923-V925 PolarHBondContact O-N 3.16Å; S923-V925 WeakPolarHBondContact OG-CG2 3.29Å; S923-V925 PolarHBondContact OG-N 2.87Å
926S83Confident74Confident12 Ų1236.3 Ų36.38%0.08423%0.234CC..  trans-71.5131.5179.9-610000111.6G680 S906 G907 P922 S923G680-S926 WeakPolarHBondContact CA-O 3.45Å; G680-S926 PolarHBondContact N-O 3.16Å; S906-S926 CarbonylContact O-C 3.5Å; S906-S926 WeakPolarHBondContact O-CA 3.27Å; G907-S926 PolarHBondContact O-OG 2.63Å; P922-S926 WeakPolarHBondContact CA-OG 3.42Å; S923-S926 PolarHBondContact N-OG 3Å; S923-S926 VanDerWaalsContact O-CB 3.27Å; S923-S926 WeakPolarHBondContact O-CB 3.17Å; S923-S926 PolarHBondContact O-N 2.8Å; S923-S926 PolarHBondContact O-OG 3.01Å; S923-S926 PolarHBondContact OG-OG 3.05Å
927C82.9Confident73.2Confident3 Ų338.9 Ų38.92%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-126.4143.7174.7-175.50000109.8K678 S906K678-C927 WeakPolarHBondContact O-CB 3.28Å; S906-C927 PolarHBondContact N-O 2.81Å; S906-C927 PolarHBondContact O-N 3.45Å; S906-C927 WeakPolarHBondContact OG-CB 3.44Å; S906-C927 PolarHBondContact OG-O 2.95Å
928I83.4Confident71.9Confident29 Ų2946.4 Ų46.415%0.14927%0.265CS..EExtended strand (participates in β ladder)trans-118.9127.9175-54.8169.1000107.8L886 P894 L897 V903 L904 L905 F908L886-I928 HydrophobicContact CD1-CD1 3.96Å; L886-I928 HydrophobicContact CD2-CD1 3.88Å; P894-I928 HydrophobicContact CG-CD1 3.89Å; L897-I928 HydrophobicContact CD2-CG2 3.82Å; V903-I928 HydrophobicContact CB-CG2 4.47Å; L904-I928 WeakPolarHBondContact O-CA 3.48Å; L905-I928 HydrophobicContact CD2-CB 4.28Å; L905-I928 HydrophobicContact CD2-CD1 4.28Å; L905-I928 HydrophobicContact CD2-CG1 3.71Å; L905-I928 HydrophobicContact CD2-CG2 3.84Å; F908-I928 HydrophobicContact CE2-CG1 3.88Å; F908-I928 HydrophobicContact CZ-CD1 3.9Å; F908-I928 HydrophobicContact CZ-CG1 3.61Å
929T81.2Confident70.7Confident19 Ų1948.5 Ų48.512%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-129.2129179-52.80000109.8V561 V903 L904V561-T929 HydrophobicContact CB-CG2 4.27Å; V561-T929 HydrophobicContact CG1-CG2 3.78Å; V561-T929 HydrophobicContact CG2-CG2 3.65Å; V903-T929 CarbonylContact C-O 3.55Å; V903-T929 WeakPolarHBondContact CA-O 3.48Å; L904-T929 PolarHBondContact N-O 3.19Å; L904-T929 PolarHBondContact O-N 3.02Å
930V82.4Confident69Low16 Ų1649.6 Ų49.610%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-80.4119.8173.1-177.30000108.1I546 T548 N901 V903 L933I546-V930 HydrophobicContact CG2-CB 4.18Å; I546-V930 HydrophobicContact CG2-CG1 4.36Å; I546-V930 HydrophobicContact CG2-CG2 4.44Å; T548-V930 HydrophobicContact CG2-CG1 4.25Å; N901-V930 HydrophobicContact CB-CG1 4.5Å; V903-V930 HydrophobicContact CG1-CG2 4.36Å; V930-L933 HydrophobicContact CG1-CD2 4.21Å
931T75.8Confident67.4Low8 Ų853.1 Ų53.15%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-100.6-31.7-175.754.40000112.3V561 Y833 Q902 L904V561-T931 HydrophobicContact CG2-CG2 4.13Å; Y833-T931 HydrophobicContact CE2-CG2 4.1Å; Y833-T931 WeakPolarHBondContact CE2-OG1 3.34Å; Q902-T931 PolarHBondContact O-N 3.03Å; Q902-T931 PolarHBondContact O-OG1 2.93Å; L904-T931 HydrophobicContact CB-CG2 3.92Å
932S75.3Confident66Low12 Ų1257.9 Ų57.98%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-149.1151.6172.578.80000112.8Q902Q902-S932 VanDerWaalsContact CB-OG 3.25Å; Q902-S932 WeakPolarHBondContact CB-OG 2.93Å; Q902-S932 WeakPolarHBondContact CG-OG 3.43Å; Q902-S932 PolarHBondContact N-O 3.34Å; Q902-S932 PolarHBondContact OE1-OG 2.88Å
933L80.5Confident65.1Low48 Ų4862 Ų6225%0.25138%0.377SS..  trans-91.6130.3179.5-55.9174.4000109.2T548 Q611 V930T548-L933 HydrophobicContact CG2-CD2 4.12Å; T548-L933 HydrophobicContact CG2-CG 3.98Å; Q611-L933 HydrophobicContact CB-CD1 3.89Å; Q611-L933 HydrophobicContact CB-CD2 3.9Å; Q611-L933 HydrophobicContact CG-CD2 4.05Å; V930-L933 HydrophobicContact CG1-CD2 4.21Å
934G64.7Low64.9Low27 Ų2762.1 Ų62.128%0.27838%0.379SS..  trans-80.2128.7-176.100000113.3G900 N901 C936G900-G934 VanDerWaalsContact O-CA 3.31Å; G900-G934 WeakPolarHBondContact O-CA 2.87Å; N901-G934 PolarHBondContact OD1-N 2.85Å; G934-C936 PolarHBondContact O-N 2.87Å
935D56.7Low65.3Low90 Ų9061 Ų6148%0.48137%0.372SS..  trans-74.7112.3162.3-78.4-26.5000108.7S937 R938D935-S937 PolarHBondContact O-N 2.78Å; D935-R938 HydrophobicContact CB-CG 4.42Å; D935-R938 PolarHBondContact O-N 2.87Å; D935-R938 VanDerWaalsContact O-N 3.12Å
936C43.3Very low65.7Low88 Ų8862.1 Ų62.160%0.59538%0.383SS*.THydrogen-bonded Turntrans-56.3-14.3-178.8-61.90000114.1G934G934-C936 PolarHBondContact O-N 2.87Å
937S42.6Very low65.9Low106 Ų10662.9 Ų62.974%0.74139%0.385SS*.THydrogen-bonded Turntrans-80.6-19-179.9610000114.9D935D935-S937 PolarHBondContact O-N 2.78Å
938R40Very low66.1Low202 Ų20268.3 Ų68.376%0.76241%0.41SS*.SBendtrans-96.84.4-171.4-65-171.8-177.1-165.51.7115.4D935D935-R938 HydrophobicContact CB-CG 4.42Å; D935-R938 PolarHBondContact O-N 2.87Å; D935-R938 VanDerWaalsContact O-N 3.12Å
939L46.1Very low66.3Low69 Ų6966.9 Ų66.936%0.36140%0.403SS..  trans-105.534.7-167-65.3163.2000114.3V835 P941V835-L939 HydrophobicContact CG1-CD2 4.45Å; L939-P941 WeakPolarHBondContact O-CD 3.4Å
940A42.9Very low66.4Low82 Ų8268.1 Ų68.168%0.67842%0.415SS*.  trans-72.2108.2150.900000105.8
941P50.6Low66.4Low73 Ų7373 Ų7347%0.47444%0.437SS..PPolyproline II helixtrans-52.2142.4169.321.9-31.4000107.8L939L939-P941 WeakPolarHBondContact O-CD 3.4Å
942P53.5Low66.8Low113 Ų11372.6 Ų72.673%0.73443%0.434SS*.PPolyproline II helixtrans-51.7140.3176.922-31.9000108.8A944P942-A944 PolarHBondContact O-N 2.94Å
943P61.7Low66.9Low120 Ų12074.5 Ų74.578%0.77945%0.451SS*.PPolyproline II helixtrans-53.8141.6-18022.8-32.6000109.7
944A72.9Confident66.6Low25 Ų2576.8 Ų76.821%0.20747%0.471CS..PPolyproline II helixtrans-54.2132.4-178.200000109.7P942 S946 E959 T1086P942-A944 PolarHBondContact O-N 2.94Å; A944-S946 PolarHBondContact O-N 3.37Å; A944-E959 HydrophobicContact CB-CG 4.16Å; A944-T1086 HydrophobicContact CB-CG2 3.96Å
945P79.1Confident66.9Low69 Ų6976.8 Ų76.845%0.44847%0.467SS..PPolyproline II helixtrans-62.3135.6-175.925.3-34.2000110.4T957 A960 Q961P945-T957 HydrophobicContact CG-CG2 4Å; P945-A960 WeakPolarHBondContact O-CA 3.15Å; P945-Q961 PolarHBondContact O-N 3.49Å
946S82.2Confident67.3Low93 Ų9380.3 Ų80.365%0.6547%0.473SS*.BIsolated β-bridgetrans-75.3125.7171.3-76.40000110.1A944 Q961A944-S946 PolarHBondContact O-N 3.37Å; S946-Q961 WeakPolarHBondContact CA-O 3.46Å; S946-Q961 PolarHBondContact OG-OE1 3.03Å
947M85.9Confident68.6Low28 Ų2878.2 Ų78.214%0.13846%0.457CS..  trans-151.3161.7-18070.8-171.5-5200113.1H951 W952 T957 A960 Q961 V962M947-H951 HydrophobicContact CE-CB 4.33Å; M947-H951 WeakPolarHBondContact CE-CD2 3.37Å; M947-W952 VanDerWaalsContact CE-CA 3.44Å; M947-W952 HydrophobicContact CE-CB 3.66Å; M947-W952 HydrophobicContact CE-CG 4.08Å; M947-W952 HydrophobicContact CG-CB 4.09Å; M947-W952 HydrophobicContact CG-CG 4.36Å; M947-W952 HydrophobicContact SD-CB 3.67Å; M947-W952 HydrophobicContact SD-CD2 4.15Å; M947-W952 HydrophobicContact SD-CG 3.58Å; M947-W952 VanDerWaalsContact SD-CG 3.58Å; M947-T957 HydrophobicContact SD-CG2 4.25Å; M947-A960 HydrophobicContact CG-CB 3.76Å; M947-A960 HydrophobicContact SD-CB 3.51Å; M947-A960 VanDerWaalsContact SD-CB 3.51Å; M947-Q961 PolarHBondContact N-O 3.11Å; M947-V962 WeakPolarHBondContact O-CG1 3.28Å
948H88.2Confident70Confident117 Ų11775 Ų7554%0.54243%0.433SS..  trans-78.6147.8172.4-71.4-68000112.4A950 H951 W952 D1009 T1011H948-A950 VanDerWaalsContact C-N 3.34Å; H948-A950 PolarHBondContact O-N 2.91Å; H948-H951 PolarHBondContact O-N 2.84Å; H948-W952 PolarHBondContact O-N 3.46Å; H948-D1009 VanDerWaalsContact CA-OD2 3.3Å; H948-D1009 WeakPolarHBondContact CA-OD2 3.26Å; H948-D1009 IonicContact CG-OD2 3.95Å; H948-D1009 IonicContact ND1-OD2 3.47Å; H948-D1009 PolarHBondContact ND1-OD2 3.08Å; H948-T1011 HydrophobicContact CB-CG2 4.03Å
949L87.3Confident72Confident0 Ų069.2 Ų69.20%042%0.415CS..Hα-helixtrans-60.3-40.1-179.3-71.4173000112.4H951 W952 A953 V962 F1007 D1009 A1012 A1014 L1119 L1121L949-H951 VanDerWaalsContact C-N 3.34Å; L949-H951 PolarHBondContact O-N 3.03Å; L949-W952 HydrophobicContact CD2-CE3 4.15Å; L949-W952 PolarHBondContact O-N 2.66Å; L949-A953 PolarHBondContact O-N 3.37Å; L949-V962 HydrophobicContact CD2-CB 4.34Å; L949-V962 HydrophobicContact CD2-CG1 3.95Å; L949-V962 HydrophobicContact CD2-CG2 4.37Å; L949-V962 HydrophobicContact CG-CG1 4.49Å; L949-F1007 HydrophobicContact CD1-CD1 3.82Å; L949-F1007 HydrophobicContact CD1-CE1 4.1Å; L949-D1009 HydrophobicContact CD1-CB 3.85Å; L949-D1009 HydrophobicContact CG-CB 4.11Å; L949-D1009 PolarHBondContact N-OD2 3.32Å; L949-A1012 HydrophobicContact CB-CB 3.87Å; L949-A1012 WeakPolarHBondContact CD1-O 3.38Å; L949-A1014 HydrophobicContact CD1-CB 4.15Å; L949-A1014 HydrophobicContact CD2-CB 3.93Å; L949-L1119 HydrophobicContact CB-CD1 4.49Å; L949-L1119 HydrophobicContact CD2-CD1 4.41Å; L949-L1119 VanDerWaalsContact O-CD1 3.28Å; L949-L1119 WeakPolarHBondContact O-CD1 3.5Å; L949-L1121 HydrophobicContact CD2-CD1 3.95Å
950A82.8Confident73.7Confident45 Ų4566 Ų6637%0.37240%0.398SS..Hα-helixtrans-61.5-43.3176.700000111.8H948 W952 A953 S954 T1011 A1012H948-A950 VanDerWaalsContact C-N 3.34Å; H948-A950 PolarHBondContact O-N 2.91Å; A950-W952 VanDerWaalsContact C-N 3.34Å; A950-A953 WeakPolarHBondContact O-CB 3.46Å; A950-A953 PolarHBondContact O-N 2.85Å; A950-S954 PolarHBondContact O-OG 3.28Å; A950-T1011 PolarHBondContact N-OG1 3.09Å; A950-T1011 VanDerWaalsContact N-OG1 3.15Å; A950-A1012 HydrophobicContact CB-CB 4.21Å
951H82.6Confident75.9Confident118 Ų11864.7 Ų64.755%0.54638%0.378SS..Hα-helixtrans-68.3-35.5176.7-173.259.7000111.5M947 H948 L949 A953 S954 S955M947-H951 HydrophobicContact CE-CB 4.33Å; M947-H951 WeakPolarHBondContact CE-CD2 3.37Å; H948-H951 PolarHBondContact O-N 2.84Å; L949-H951 VanDerWaalsContact C-N 3.34Å; L949-H951 PolarHBondContact O-N 3.03Å; H951-A953 VanDerWaalsContact C-N 3.33Å; H951-A953 PolarHBondContact O-N 2.92Å; H951-S954 PolarHBondContact O-N 3.39Å; H951-S954 PolarHBondContact O-OG 3.27Å; H951-S955 VanDerWaalsContact O-CB 3.25Å; H951-S955 WeakPolarHBondContact O-CB 3.43Å; H951-S955 PolarHBondContact O-N 3.21Å
952W84Confident77.7Confident0 Ų061.3 Ų61.30%036%0.356CS..Hα-helixtrans-70.6-28.3177-164.613000113.5M947 H948 L949 A950 S954 S955 T957 A960 V962 C1087 K1089 L1121M947-W952 VanDerWaalsContact CE-CA 3.44Å; M947-W952 HydrophobicContact CE-CB 3.66Å; M947-W952 HydrophobicContact CE-CG 4.08Å; M947-W952 HydrophobicContact CG-CB 4.09Å; M947-W952 HydrophobicContact CG-CG 4.36Å; M947-W952 HydrophobicContact SD-CB 3.67Å; M947-W952 HydrophobicContact SD-CD2 4.15Å; M947-W952 HydrophobicContact SD-CG 3.58Å; M947-W952 VanDerWaalsContact SD-CG 3.58Å; H948-W952 PolarHBondContact O-N 3.46Å; L949-W952 HydrophobicContact CD2-CE3 4.15Å; L949-W952 PolarHBondContact O-N 2.66Å; A950-W952 VanDerWaalsContact C-N 3.34Å; W952-S954 VanDerWaalsContact C-N 3.3Å; W952-S954 PolarHBondContact O-N 2.78Å; W952-S955 PolarHBondContact O-N 2.94Å; W952-T957 PolarHBondContact NE1-O 3.35Å; W952-A960 HydrophobicContact CD2-CB 3.98Å; W952-A960 HydrophobicContact CE3-CB 4.13Å; W952-A960 HydrophobicContact CH2-CB 4.02Å; W952-A960 HydrophobicContact CZ2-CB 3.85Å; W952-A960 HydrophobicContact CZ3-CB 4.15Å; W952-V962 HydrophobicContact CE3-CG1 3.61Å; W952-V962 HydrophobicContact CZ3-CG1 3.65Å; W952-V962 HydrophobicContact CZ3-CG2 4.49Å; W952-C1087 HydrophobicContact CH2-CB 3.55Å; W952-C1087 WeakPolarHBondContact CH2-O 3.15Å; W952-C1087 WeakPolarHBondContact CZ2-O 3.28Å; W952-C1087 HydrophobicContact CZ3-CB 3.92Å; W952-K1089 HydrophobicContact CZ2-CB 4.05Å; W952-K1089 PolarHBondContact O-NZ 3.49Å; W952-L1121 HydrophobicContact CE3-CD1 4.22Å; W952-L1121 HydrophobicContact CE3-CD2 4.19Å; W952-L1121 HydrophobicContact CH2-CD1 4.16Å; W952-L1121 HydrophobicContact CH2-CD2 3.6Å; W952-L1121 HydrophobicContact CH2-CG 4.44Å; W952-L1121 HydrophobicContact CZ2-CD2 4.06Å; W952-L1121 HydrophobicContact CZ3-CD1 3.57Å; W952-L1121 HydrophobicContact CZ3-CD2 3.69Å; W952-L1121 HydrophobicContact CZ3-CG 4.26Å
953A77.7Confident79.5Confident52 Ų5260.3 Ų60.343%0.4334%0.34SS..Hα-helixtrans-58.8-45.817300000110.7L949 A950 H951 K1089 L1119L949-A953 PolarHBondContact O-N 3.37Å; A950-A953 WeakPolarHBondContact O-CB 3.46Å; A950-A953 PolarHBondContact O-N 2.85Å; H951-A953 VanDerWaalsContact C-N 3.33Å; H951-A953 PolarHBondContact O-N 2.92Å; A953-K1089 PolarHBondContact O-NZ 3.43Å; A953-L1119 HydrophobicContact CB-CD1 3.82Å; A953-L1119 HydrophobicContact CB-CG 4.2Å
954S74Confident80.8Confident95 Ų9554.7 Ų54.766%0.66430%0.304SS*.Hα-helixtrans-81.8-21.517748.90000114.9A950 H951 W952A950-S954 PolarHBondContact O-OG 3.28Å; H951-S954 PolarHBondContact O-N 3.39Å; H951-S954 PolarHBondContact O-OG 3.27Å; W952-S954 VanDerWaalsContact C-N 3.3Å; W952-S954 PolarHBondContact O-N 2.78Å
955S70.7Confident81.5Confident28 Ų2857.4 Ų57.420%0.19631%0.312CS..SBendtrans-78.8153.3-177.9-178.10000113.2H951 W952 T957 K1089H951-S955 VanDerWaalsContact O-CB 3.25Å; H951-S955 WeakPolarHBondContact O-CB 3.43Å; H951-S955 PolarHBondContact O-N 3.21Å; W952-S955 PolarHBondContact O-N 2.94Å; S955-T957 VanDerWaalsContact C-N 3.31Å; S955-T957 PolarHBondContact OG-N 3.18Å; S955-T957 PolarHBondContact OG-OG1 3.39Å; S955-K1089 PolarHBondContact O-NZ 2.78Å; S955-K1089 VanDerWaalsContact O-NZ 3.11Å
956R66.3Low81.9Confident163 Ų16354.3 Ų54.362%0.61529%0.292SS*.  trans-82.7-3.8170.3-62.7-171.2-178.4-159.13.5113.3D821 V958D821-R956 IonicContact OD2-NH1 3.85Å; D821-R956 PolarHBondContact OD2-NH1 2.86Å; R956-V958 PolarHBondContact O-N 3.37Å
957T68.9Low82.1Confident44 Ų4453.4 Ų53.427%0.2728%0.282SS..  trans-56.3128.6177.5-530000111.2P945 M947 W952 S955 E959 A960P945-T957 HydrophobicContact CG-CG2 4Å; M947-T957 HydrophobicContact SD-CG2 4.25Å; W952-T957 PolarHBondContact NE1-O 3.35Å; S955-T957 VanDerWaalsContact C-N 3.31Å; S955-T957 PolarHBondContact OG-N 3.18Å; S955-T957 PolarHBondContact OG-OG1 3.39Å; T957-E959 WeakPolarHBondContact CG2-O 3.26Å; T957-A960 HydrophobicContact CG2-CB 4.27Å
958V73.5Confident82.1Confident38 Ų3854.1 Ų54.123%0.2329%0.289CS..SBendtrans-87.6-39.5-176.5176.40000112.1R880 R956 R1088 K1089R880-V958 HydrophobicContact CG-CG2 4.37Å; R956-V958 PolarHBondContact O-N 3.37Å; V958-R1088 HydrophobicContact CG1-CG 3.83Å; V958-R1088 CarbonylContact O-C 3.57Å; V958-R1088 WeakPolarHBondContact O-CA 3.48Å; V958-R1088 WeakPolarHBondContact O-CG 3.38Å; V958-K1089 PolarHBondContact O-N 3.13Å
959E80.3Confident82Confident82 Ų8248.9 Ų48.938%0.38327%0.265SS..EExtended strand (participates in β ladder)trans-129.3134.2179.2-179.4163.9-158.800109.9A944 T957 T1086 C1087 S1124A944-E959 HydrophobicContact CB-CG 4.16Å; T957-E959 WeakPolarHBondContact CG2-O 3.26Å; E959-T1086 HydrophobicContact CG-CG2 4.26Å; E959-C1087 VanDerWaalsContact CA-O 3.28Å; E959-C1087 WeakPolarHBondContact CA-O 3.36Å; E959-C1087 WeakPolarHBondContact CG-O 3.45Å; E959-S1124 PolarHBondContact OE1-OG 3.5Å
960A83.1Confident81.9Confident0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-149.9157.3-177.300000110.8P945 M947 W952 T957 C1087P945-A960 WeakPolarHBondContact O-CA 3.15Å; M947-A960 HydrophobicContact CG-CB 3.76Å; M947-A960 HydrophobicContact SD-CB 3.51Å; M947-A960 VanDerWaalsContact SD-CB 3.51Å; W952-A960 HydrophobicContact CD2-CB 3.98Å; W952-A960 HydrophobicContact CE3-CB 4.13Å; W952-A960 HydrophobicContact CH2-CB 4.02Å; W952-A960 HydrophobicContact CZ2-CB 3.85Å; W952-A960 HydrophobicContact CZ3-CB 4.15Å; T957-A960 HydrophobicContact CG2-CB 4.27Å; A960-C1087 PolarHBondContact N-O 2.87Å; A960-C1087 PolarHBondContact O-N 2.8Å
961Q88.7Confident82.1Confident56 Ų5650.3 Ų50.326%0.26227%0.266SS..EExtended strand (participates in β ladder)trans-95.1131.1169.6-167176.436.800109.2P945 S946 M947 I1084 L1085P945-Q961 PolarHBondContact O-N 3.49Å; S946-Q961 WeakPolarHBondContact CA-O 3.46Å; S946-Q961 PolarHBondContact OG-OE1 3.03Å; M947-Q961 PolarHBondContact N-O 3.11Å; Q961-I1084 HydrophobicContact CG-CG2 3.53Å; Q961-L1085 CarbonylContact C-O 3.5Å; Q961-L1085 WeakPolarHBondContact CA-O 3.5Å
962V89.4Confident82.4Confident1 Ų144.8 Ų44.81%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-129.5138.9179.9-62.10000109.7M947 L949 W952 F1007 L1085M947-V962 WeakPolarHBondContact O-CG1 3.28Å; L949-V962 HydrophobicContact CD2-CB 4.34Å; L949-V962 HydrophobicContact CD2-CG1 3.95Å; L949-V962 HydrophobicContact CD2-CG2 4.37Å; L949-V962 HydrophobicContact CG-CG1 4.49Å; W952-V962 HydrophobicContact CE3-CG1 3.61Å; W952-V962 HydrophobicContact CZ3-CG1 3.65Å; W952-V962 HydrophobicContact CZ3-CG2 4.49Å; V962-F1007 HydrophobicContact CB-CE1 4.06Å; V962-F1007 HydrophobicContact CG2-CD1 4.27Å; V962-F1007 HydrophobicContact CG2-CE1 3.51Å; V962-F1007 HydrophobicContact CG2-CZ 4.06Å; V962-L1085 HydrophobicContact CG2-CB 3.92Å; V962-L1085 PolarHBondContact N-O 2.67Å; V962-L1085 PolarHBondContact O-N 2.89Å
963K90.3Very high82.6Confident93 Ų9346.7 Ų46.740%0.40425%0.249SC..EExtended strand (participates in β ladder)trans-116130.5179.8-176177.3-173.3-178.90109.2D1009 Q1082 I1084K963-D1009 VanDerWaalsContact O-CB 3.3Å; K963-D1009 WeakPolarHBondContact O-CB 3.44Å; K963-Q1082 HydrophobicContact CG-CG 4.31Å; K963-I1084 HydrophobicContact CB-CG1 4.41Å; K963-I1084 HydrophobicContact CD-CG1 4.35Å; K963-I1084 HydrophobicContact CG-CG1 4.05Å
964G88.9Confident83.1Confident2 Ų244.2 Ų44.22%0.02123%0.229CC..EExtended strand (participates in β ladder)trans178.1-164.2-171.400000111.9D1008 Q1082 V1083G964-D1008 CarbonylContact C-O 3.28Å; G964-D1008 WeakPolarHBondContact CA-O 3.22Å; G964-Q1082 CarbonylContact O-C 3.55Å; G964-Q1082 WeakPolarHBondContact O-CA 3.34Å; G964-V1083 PolarHBondContact N-O 2.58Å; G964-V1083 VanDerWaalsContact N-O 3.11Å; G964-V1083 PolarHBondContact O-N 3.36Å
965H88.7Confident83.6Confident82 Ų8241.6 Ų41.638%0.3821%0.206SC..EExtended strand (participates in β ladder)trans-117.9145.4-174.2-54.186.9000111.4F1007 D1008 G1080 Q1081H965-F1007 WeakPolarHBondContact O-CA 3.4Å; H965-F1007 VanDerWaalsContact O-CD2 3.3Å; H965-F1007 WeakPolarHBondContact O-CD2 3.35Å; H965-D1008 PolarHBondContact N-O 2.89Å; H965-D1008 PolarHBondContact O-N 3.36Å; H965-G1080 PolarHBondContact CD2-O 3.07Å; H965-Q1081 WeakPolarHBondContact CA-O 3.48Å
966L86.8Confident84Confident4 Ų441.3 Ų41.32%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-81.5117.2170.5-66.9174.1000109.6L1005 F1007 V1026 V1078 G1080 Q1081 V1083L966-L1005 HydrophobicContact CD1-CD1 4.29Å; L966-L1005 HydrophobicContact CD2-CB 4.35Å; L966-L1005 HydrophobicContact CD2-CD1 3.67Å; L966-F1007 HydrophobicContact CD2-CD2 3.95Å; L966-V1026 HydrophobicContact CD1-CG1 4.32Å; L966-V1026 HydrophobicContact CD1-CG2 4.04Å; L966-V1078 HydrophobicContact CD1-CG1 4.44Å; L966-G1080 PolarHBondContact O-N 3.45Å; L966-Q1081 PolarHBondContact N-O 3.12Å; L966-V1083 HydrophobicContact CD1-CG1 4.16Å; L966-V1083 HydrophobicContact CD1-CG2 4.24Å; L966-V1083 HydrophobicContact CD2-CG2 4.25Å; L966-V1083 HydrophobicContact CG-CG1 4.42Å; L966-V1083 HydrophobicContact CG-CG2 3.83Å
967V86.1Confident84.3Confident74 Ų7433.8 Ų33.845%0.44817%0.173SC..EExtended strand (participates in β ladder)trans-86.8-46.8-174.9-179.70000111.7V1006 D1008 I1079V967-V1006 HydrophobicContact CB-CB 4.04Å; V967-V1006 HydrophobicContact CB-CG1 3.82Å; V967-V1006 HydrophobicContact CG1-CG1 4.36Å; V967-V1006 HydrophobicContact CG2-CG1 4.08Å; V967-V1006 PolarHBondContact N-O 3.24Å; V967-D1008 HydrophobicContact CG2-CB 3.64Å; V967-I1079 WeakPolarHBondContact O-CG2 3.39Å
968C85.3Confident84.3Confident42 Ų4232 Ų3228%0.28416%0.162SC..EExtended strand (participates in β ladder)trans-165.6164.2176.266.20000113L1005 V1006C968-L1005 CarbonylContact O-C 3.58Å; C968-L1005 WeakPolarHBondContact O-CA 3.31Å; C968-V1006 PolarHBondContact O-N 3.46Å
969V86.1Confident83.8Confident7 Ų730.2 Ų30.24%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-93.9118.7171.1-177.10000109.3L972 L1005 P1051 C1074 I1079V969-L972 HydrophobicContact CG1-CB 4.44Å; V969-L1005 HydrophobicContact CB-CD2 3.78Å; V969-L1005 HydrophobicContact CG1-CD2 3.79Å; V969-L1005 HydrophobicContact CG2-CD2 3.45Å; V969-L1005 VanDerWaalsContact CG2-CD2 3.45Å; V969-P1051 HydrophobicContact CB-CG 4.09Å; V969-P1051 HydrophobicContact CG1-CG 4.09Å; V969-P1051 WeakPolarHBondContact O-CD 3.31Å; V969-C1074 HydrophobicContact CB-CB 4.16Å; V969-C1074 HydrophobicContact CG1-CB 4.44Å; V969-C1074 HydrophobicContact CG2-CB 4.08Å; V969-I1079 HydrophobicContact CG2-CD1 4.13Å
970L85.1Confident82.6Confident50 Ų5031.1 Ų31.126%0.26216%0.156SC..EExtended strand (participates in β ladder)trans-83.6-37176.9-61.8178.7000112.3R1004 V1006L970-R1004 HydrophobicContact CB-CB 4.44Å; L970-R1004 HydrophobicContact CB-CG 4.44Å; L970-R1004 WeakPolarHBondContact CB-O 3.31Å; L970-R1004 HydrophobicContact CD1-CG 4.3Å; L970-R1004 PolarHBondContact N-O 2.78Å; L970-V1006 HydrophobicContact CD1-CG2 3.78Å; L970-V1006 HydrophobicContact CD2-CG2 3.83Å; L970-V1006 HydrophobicContact CG-CG2 3.78Å
971H87.4Confident81.3Confident26 Ų2640.9 Ų40.912%0.1219%0.192CC..EExtended strand (participates in β ladder)trans-155.7136.8-175.7172.3-113.7000110.4A1003 R1004 H1048 V1049 F1050H971-A1003 CarbonylContact O-C 3.57Å; H971-A1003 WeakPolarHBondContact O-CA 3.41Å; H971-R1004 HydrophobicContact CB-CB 4.15Å; H971-R1004 PolarHBondContact N-O 2.97Å; H971-R1004 PolarHBondContact O-N 2.89Å; H971-H1048 AromaticContact NE2-ND1 3.38Å; H971-H1048 PolarHBondContact NE2-ND1 2.84Å; H971-V1049 CarbonylContact C-O 3.58Å; H971-V1049 WeakPolarHBondContact CA-O 3.47Å; H971-F1050 HydrophobicContact CB-CD1 4.22Å; H971-F1050 HydrophobicContact CB-CE1 4.13Å; H971-F1050 AromaticContact CD2-CD1 3.81Å; H971-F1050 AromaticContact CD2-CE1 3.2Å; H971-F1050 WeakPolarHBondContact CD2-CE1 3.48Å; H971-F1050 AromaticContact CD2-CZ 3.41Å; H971-F1050 VanDerWaalsContact CD2-CZ 3.41Å; H971-F1050 WeakPolarHBondContact CD2-CZ 3.3Å; H971-F1050 AromaticContact CG-CE1 3.92Å; H971-F1050 AromaticContact NE2-CZ 3.89Å
972L88.4Confident79.5Confident1 Ų140.8 Ų40.81%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-130.1131.6169.9174.471000109.1V969 L974 T1002 A1003 V1023 L1027 H1048 V1049 L1070V969-L972 HydrophobicContact CG1-CB 4.44Å; L972-L974 HydrophobicContact CD1-CD2 4.07Å; L972-L974 HydrophobicContact CD1-CG 4.49Å; L972-L974 HydrophobicContact CG-CG 4.41Å; L972-T1002 CarbonylContact C-O 3.55Å; L972-T1002 WeakPolarHBondContact CA-O 3.37Å; L972-A1003 HydrophobicContact CD1-CB 3.98Å; L972-V1023 HydrophobicContact CD1-CG1 3.64Å; L972-L1027 HydrophobicContact CD1-CD1 4.34Å; L972-L1027 HydrophobicContact CD2-CD1 4.25Å; L972-L1027 HydrophobicContact CD2-CD2 4.2Å; L972-H1048 CarbonylContact O-C 3.54Å; L972-H1048 WeakPolarHBondContact O-CA 3.27Å; L972-V1049 HydrophobicContact CB-CB 4.23Å; L972-V1049 PolarHBondContact N-O 2.95Å; L972-V1049 PolarHBondContact O-N 2.8Å; L972-L1070 HydrophobicContact CD2-CD2 4.04Å
973Q88.3Confident77.8Confident40 Ų4042.5 Ų42.519%0.18722%0.224CC..EExtended strand (participates in β ladder)trans-131.8123.5177.5174.1-178.55.100109.9A1001 T1002 I1047 H1048Q973-A1001 CarbonylContact O-C 3.51Å; Q973-A1001 WeakPolarHBondContact O-CA 3.43Å; Q973-T1002 PolarHBondContact N-O 3.47Å; Q973-T1002 PolarHBondContact O-N 2.56Å; Q973-T1002 PolarHBondContact O-OG1 3.38Å; Q973-I1047 WeakPolarHBondContact CA-O 3.28Å; Q973-H1048 WeakPolarHBondContact CG-CE1 3.43Å; Q973-H1048 PolarHBondContact NE2-CE1 3.26Å; Q973-H1048 VanDerWaalsContact NE2-CE1 3.26Å
974L88.5Confident76Confident0 Ų043.5 Ų43.50%023%0.232CC..EExtended strand (participates in β ladder)trans-121.6128.3174.2-50.5174.8000108.4L972 F999 Q1000 A1001 W1034 L1037 V1041 H1046 I1047 L1070L972-L974 HydrophobicContact CD1-CD2 4.07Å; L972-L974 HydrophobicContact CD1-CG 4.49Å; L972-L974 HydrophobicContact CG-CG 4.41Å; L974-F999 HydrophobicContact CB-CE2 4.14Å; L974-F999 HydrophobicContact CB-CZ 3.96Å; L974-F999 HydrophobicContact CD2-CZ 4.07Å; L974-F999 HydrophobicContact CG-CZ 4.42Å; L974-Q1000 WeakPolarHBondContact CA-O 3.15Å; L974-A1001 HydrophobicContact CD2-CB 3.56Å; L974-W1034 HydrophobicContact CD2-CH2 4.16Å; L974-L1037 HydrophobicContact CD1-CD1 4.31Å; L974-L1037 HydrophobicContact CD1-CD2 3.84Å; L974-L1037 HydrophobicContact CD1-CG 4.15Å; L974-V1041 HydrophobicContact CB-CG1 4.16Å; L974-V1041 HydrophobicContact CB-CG2 4.22Å; L974-V1041 HydrophobicContact CD1-CG2 4.09Å; L974-H1046 CarbonylContact O-C 3.58Å; L974-H1046 VanDerWaalsContact O-CA 3.31Å; L974-H1046 WeakPolarHBondContact O-CA 3.45Å; L974-I1047 HydrophobicContact CB-CG2 3.71Å; L974-I1047 HydrophobicContact CD1-CG2 4.19Å; L974-I1047 HydrophobicContact CG-CG2 4.22Å; L974-I1047 PolarHBondContact N-O 2.83Å; L974-I1047 PolarHBondContact O-N 3.42Å; L974-L1070 HydrophobicContact CD1-CD1 4.07Å; L974-L1070 HydrophobicContact CD1-CD2 4.02Å
975Q85.6Confident74.2Confident40 Ų4044.4 Ų44.419%0.18724%0.238CC..EExtended strand (participates in β ladder)trans-148.9151.5-177.469-176.39.800113.4Q1000 G1045 H1046Q975-Q1000 HydrophobicContact CG-CB 3.73Å; Q975-Q1000 PolarHBondContact N-O 3.33Å; Q975-Q1000 PolarHBondContact O-N 3.17Å; Q975-G1045 CarbonylContact C-O 3.5Å; Q975-G1045 WeakPolarHBondContact CA-O 3.4Å; Q975-H1046 HydrophobicContact CB-CB 3.76Å
976W79.4Confident72.4Confident23 Ų2347.4 Ų47.49%0.08725%0.247CC..EExtended strand (participates in β ladder)trans-104.4123.5167.4-76.489.4000110.4C985 A997 T998 F999 Q1038 R1042 G1045W976-C985 PolarHBondContact O-N 2.96Å; W976-A997 HydrophobicContact CE3-CB 3.88Å; W976-A997 HydrophobicContact CZ3-CB 4.34Å; W976-T998 WeakPolarHBondContact CA-O 3.41Å; W976-F999 AromaticContact CD1-CD2 3.7Å; W976-F999 HydrophobicContact CD2-CB 4.08Å; W976-F999 HydrophobicContact CD2-CD2 4.08Å; W976-F999 AromaticContact CE2-CD2 3.63Å; W976-F999 HydrophobicContact CE3-CB 4.13Å; W976-F999 HydrophobicContact CG-CD2 4.15Å; W976-F999 HydrophobicContact CH2-CB 3.98Å; W976-F999 HydrophobicContact CZ2-CB 3.94Å; W976-F999 HydrophobicContact CZ2-CD2 4.18Å; W976-F999 HydrophobicContact CZ2-CG 4.36Å; W976-F999 HydrophobicContact CZ3-CB 4.08Å; W976-F999 AromaticContact NE1-CD2 3.36Å; W976-F999 AromaticContact NE1-CE2 3.92Å; W976-Q1038 HydrophobicContact CZ2-CB 4.09Å; W976-Q1038 PolarHBondContact NE1-O 2.93Å; W976-R1042 HydrophobicContact CD2-CB 4.33Å; W976-R1042 HydrophobicContact CD2-CG 4.04Å; W976-R1042 HydrophobicContact CG-CB 4.35Å; W976-R1042 HydrophobicContact CG-CG 4.21Å; W976-R1042 HydrophobicContact CZ2-CB 4.2Å; W976-R1042 HydrophobicContact CZ2-CG 4.26Å; W976-R1042 VanDerWaalsContact NE1-CA 3.33Å; W976-R1042 VanDerWaalsContact NE1-CB 3.35Å; W976-G1045 PolarHBondContact N-O 3.37Å
977S71.8Confident70.7Confident4 Ų457.3 Ų57.33%0.02828%0.283CS..EExtended strand (participates in β ladder)trans-117.4147.8178.654.90000111.7A997 T998 Q1000S977-A997 CarbonylContact O-C 3.53Å; S977-A997 WeakPolarHBondContact O-CA 3.42Å; S977-T998 PolarHBondContact N-O 2.68Å; S977-T998 PolarHBondContact O-N 3.19Å; S977-T998 PolarHBondContact O-OG1 3.28Å; S977-T998 PolarHBondContact OG-O 3.14Å; S977-T998 PolarHBondContact OG-OG1 2.06Å; S977-Q1000 PolarHBondContact OG-NE2 3.41Å
978C69.4Low68.9Low6 Ų664.6 Ų64.64%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-64.2134.8171.9158.90000110.6H980 R981 G982 G983 C985 C990 C994C978-H980 VanDerWaalsContact C-N 3.28Å; C978-H980 PolarHBondContact O-N 2.86Å; C978-H980 PolarHBondContact SG-N 2.86Å; C978-R981 PolarHBondContact SG-N 2.87Å; C978-G982 WeakPolarHBondContact O-CA 3.3Å; C978-G982 PolarHBondContact O-N 2.95Å; C978-G982 VanDerWaalsContact O-N 3.08Å; C978-G983 WeakPolarHBondContact CB-O 3.41Å; C978-G983 PolarHBondContact N-O 2.79Å; C978-C985 WeakPolarHBondContact CA-SG 3.37Å; C978-C985 PolarHBondContact N-SG 2.68Å; C978-C990 VanDerWaalsContact SG-SG 3.65Å; C978-C994 PolarHBondContact SG-SG 3.15Å
979S62.6Low67.1Low2 Ų266.9 Ų66.91%0.01432%0.322CS..THydrogen-bonded Turntrans-68.3-22.8-178.865.60000114.1S486 P590 S996S486-S979 WeakPolarHBondContact CB-O 3.49Å; S486-S979 PolarHBondContact N-O 3.04Å; P590-S979 WeakPolarHBondContact O-CB 3.44Å; P590-S979 PolarHBondContact O-OG 3.5Å; S979-S996 PolarHBondContact N-O 2.67Å; S979-S996 VanDerWaalsContact N-O 3.15Å; S979-S996 VanDerWaalsContact OG-CB 3.25Å; S979-S996 WeakPolarHBondContact OG-CB 3.22Å; S979-S996 PolarHBondContact OG-O 3.37Å; S979-S996 PolarHBondContact OG-OG 3.47Å
980H55.5Low65.4Low101 Ų10167.5 Ų67.547%0.46833%0.326SS..THydrogen-bonded Turntrans-90.6-35.3-177.1-78.6-84.3000115.4P590 C978P590-H980 VanDerWaalsContact CB-NE2 3.33Å; P590-H980 WeakPolarHBondContact CB-NE2 3.46Å; C978-H980 VanDerWaalsContact C-N 3.28Å; C978-H980 PolarHBondContact O-N 2.86Å; C978-H980 PolarHBondContact SG-N 2.86Å
981R55.6Low63.7Low205 Ų20570.3 Ų70.377%0.77435%0.35SS*.THydrogen-bonded Turntrans-124.9-2.9-174.4-64.4-168.1-162.7-164.35.5114.4C978 G983C978-R981 PolarHBondContact SG-N 2.87Å; R981-G983 PolarHBondContact O-N 3.23Å
982G50.8Low61.8Low54 Ų5470.7 Ų70.756%0.55736%0.355SS*.  trans66.4-0.5-174.800000114.6C978C978-G982 WeakPolarHBondContact O-CA 3.3Å; C978-G982 PolarHBondContact O-N 2.95Å; C978-G982 VanDerWaalsContact O-N 3.08Å
983G53.8Low59.8Low37 Ų3777.5 Ų77.538%0.38140%0.4SS..  trans-68.7154.5176.600000112.4C978 R981C978-G983 WeakPolarHBondContact CB-O 3.41Å; C978-G983 PolarHBondContact N-O 2.79Å; R981-G983 PolarHBondContact O-N 3.23Å
984M51.8Low58.1Low114 Ų11476.7 Ų76.756%0.56240%0.398SS*.BIsolated β-bridgetrans-65.1133.5-177.7-63.116769.200110.9H1046M984-H1046 HydrophobicContact CE-CB 4.33Å; M984-H1046 WeakPolarHBondContact CE-CE1 3.32Å; M984-H1046 WeakPolarHBondContact CE-ND1 3.35Å
985C51.6Low56.5Low21 Ų2181 Ų8114%0.14244%0.443CS..  trans-94.8109.5173.6-720000109.7W976 C978W976-C985 PolarHBondContact O-N 2.96Å; C978-C985 WeakPolarHBondContact CA-SG 3.37Å; C978-C985 PolarHBondContact N-SG 2.68Å
986Y51.1Low55.4Low145 Ų14580 Ų8057%0.56944%0.44SS*.  trans-96.3136.7165.168.4-88.8000109.6K988 V989Y986-K988 PolarHBondContact O-N 2.81Å; Y986-V989 PolarHBondContact O-N 3.03Å
987R50.3Low54.8Low211 Ų21180.1 Ų80.180%0.79645%0.446SS*.THydrogen-bonded Turntrans42.377.1159.8-152.3-179-146.8179.95.4116.1V989R987-V989 PolarHBondContact O-N 2.72Å
988K48.1Very low54.8Low228 Ų22880.2 Ų80.299%0.99145%0.447SS*.THydrogen-bonded Turntrans51.2-4.7174.2-82.2-172.2178-179.70117.7Y986Y986-K988 PolarHBondContact O-N 2.81Å
989V48Very low55.3Low89 Ų8980.9 Ų80.954%0.53945%0.449SS..  trans-129.398-172.5-176.10000107.9Y986 R987Y986-V989 PolarHBondContact O-N 3.03Å; R987-V989 PolarHBondContact O-N 2.72Å
990C50.4Low56.3Low21 Ų2183.3 Ų83.314%0.14246%0.46CS..  trans-57.8139.8155.8-179.10000107.3C978 S992 C994C978-C990 VanDerWaalsContact SG-SG 3.65Å; C990-S992 CarbonylContact C-O 3.49Å; C990-S992 WeakPolarHBondContact CB-O 3.5Å; C990-S992 CarbonylContact O-C 3.57Å; C990-S992 PolarHBondContact O-N 3.49Å; C990-S992 PolarHBondContact SG-O 2.79Å; C990-S992 PolarHBondContact SG-OG 2.89Å; C990-S992 VanDerWaalsContact SG-OG 3.41Å; C990-C994 HydrophobicContact CB-CB 4.05Å; C990-C994 WeakPolarHBondContact CB-SG 2.94Å; C990-C994 WeakPolarHBondContact SG-CB 3.38Å; C990-C994 CovalentContact SG-SG 2.06Å; C990-C994 PolarHBondContact SG-SG 3.21Å
991S48.7Very low57.8Low108 Ų10878.7 Ų78.776%0.75544%0.439SS*.SBendtrans-59.90.7177.8-32.70000114.2
992S47.7Very low59.3Low34 Ų3469.6 Ų69.624%0.23841%0.407CS..SBendtrans-137.1155170.453.90000107.9C990 C994C990-S992 CarbonylContact C-O 3.49Å; C990-S992 WeakPolarHBondContact CB-O 3.5Å; C990-S992 CarbonylContact O-C 3.57Å; C990-S992 PolarHBondContact O-N 3.49Å; C990-S992 PolarHBondContact SG-O 2.79Å; C990-S992 PolarHBondContact SG-OG 2.89Å; C990-S992 VanDerWaalsContact SG-OG 3.41Å; S992-C994 PolarHBondContact O-N 2.89Å
993P47.4Very low61.1Low144 Ų14467.2 Ų67.294%0.93538%0.381SS*.  trans-69.669.7-176.330.3-36.3000112.2
994C52.8Low62.9Low24 Ų2468.6 Ų68.616%0.16238%0.375CS..  trans-111.1108.4-176.2900000109.4C978 C990 S992 S996C978-C994 PolarHBondContact SG-SG 3.15Å; C990-C994 HydrophobicContact CB-CB 4.05Å; C990-C994 WeakPolarHBondContact CB-SG 2.94Å; C990-C994 WeakPolarHBondContact SG-CB 3.38Å; C990-C994 CovalentContact SG-SG 2.06Å; C990-C994 PolarHBondContact SG-SG 3.21Å; S992-C994 PolarHBondContact O-N 2.89Å; C994-S996 PolarHBondContact O-N 3.03Å
995G54.5Low64.6Low91 Ų9163.3 Ų63.394%0.93835%0.349SS*.  trans-77.911.3-17500000115.6
996S61.7Low66.4Low17 Ų1762.7 Ų62.712%0.11934%0.344CS..  trans-137.2127.3-168.4176.10000113.1S591 S979 C994S591-S996 VanDerWaalsContact CB-OG 3.28Å; S591-S996 WeakPolarHBondContact CB-OG 3.48Å; S591-S996 PolarHBondContact OG-OG 3.35Å; S979-S996 PolarHBondContact N-O 2.67Å; S979-S996 VanDerWaalsContact N-O 3.15Å; S979-S996 VanDerWaalsContact OG-CB 3.25Å; S979-S996 WeakPolarHBondContact OG-CB 3.22Å; S979-S996 PolarHBondContact OG-O 3.37Å; S979-S996 PolarHBondContact OG-OG 3.47Å; C994-S996 PolarHBondContact O-N 3.03Å
997A67.3Low68.2Low26 Ų2655.8 Ų55.822%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-132144.5-178.400000111.1W976 S977W976-A997 HydrophobicContact CE3-CB 3.88Å; W976-A997 HydrophobicContact CZ3-CB 4.34Å; S977-A997 CarbonylContact O-C 3.53Å; S977-A997 WeakPolarHBondContact O-CA 3.42Å
998T72.1Confident70.1Confident7 Ų748.6 Ų48.64%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-114.7136.3-179.1560000111.7V483 L484 W976 S977V483-T998 HydrophobicContact CG1-CG2 3.57Å; L484-T998 WeakPolarHBondContact O-CG2 3.1Å; W976-T998 WeakPolarHBondContact CA-O 3.41Å; S977-T998 PolarHBondContact N-O 2.68Å; S977-T998 PolarHBondContact O-N 3.19Å; S977-T998 PolarHBondContact O-OG1 3.28Å; S977-T998 PolarHBondContact OG-O 3.14Å; S977-T998 PolarHBondContact OG-OG1 2.06Å
999F80.7Confident72.1Confident19 Ų1938.7 Ų38.78%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-89.9135.4175.3-176.7-107.3000110.8L974 W976 A1001 W1034 Q1038 V1041L974-F999 HydrophobicContact CB-CE2 4.14Å; L974-F999 HydrophobicContact CB-CZ 3.96Å; L974-F999 HydrophobicContact CD2-CZ 4.07Å; L974-F999 HydrophobicContact CG-CZ 4.42Å; W976-F999 AromaticContact CD1-CD2 3.7Å; W976-F999 HydrophobicContact CD2-CB 4.08Å; W976-F999 HydrophobicContact CD2-CD2 4.08Å; W976-F999 AromaticContact CE2-CD2 3.63Å; W976-F999 HydrophobicContact CE3-CB 4.13Å; W976-F999 HydrophobicContact CG-CD2 4.15Å; W976-F999 HydrophobicContact CH2-CB 3.98Å; W976-F999 HydrophobicContact CZ2-CB 3.94Å; W976-F999 HydrophobicContact CZ2-CD2 4.18Å; W976-F999 HydrophobicContact CZ2-CG 4.36Å; W976-F999 HydrophobicContact CZ3-CB 4.08Å; W976-F999 AromaticContact NE1-CD2 3.36Å; W976-F999 AromaticContact NE1-CE2 3.92Å; F999-A1001 HydrophobicContact CE1-CB 4.08Å; F999-W1034 HydrophobicContact CD1-CZ2 4.38Å; F999-W1034 AromaticContact CE1-CH2 3.98Å; F999-W1034 HydrophobicContact CE1-CH2 3.98Å; F999-W1034 AromaticContact CE1-CZ2 3.61Å; F999-W1034 HydrophobicContact CE1-CZ2 3.61Å; F999-Q1038 HydrophobicContact CD1-CG 3.52Å; F999-Q1038 HydrophobicContact CD2-CG 4.13Å; F999-Q1038 HydrophobicContact CE1-CG 3.53Å; F999-Q1038 HydrophobicContact CE2-CG 4.13Å; F999-Q1038 HydrophobicContact CG-CG 3.81Å; F999-Q1038 HydrophobicContact CZ-CG 3.82Å; F999-V1041 HydrophobicContact CE2-CB 4.14Å; F999-V1041 HydrophobicContact CE2-CG1 4.07Å
1000Q81.8Confident73.9Confident53 Ų5337.9 Ų37.925%0.24826%0.263CS..EExtended strand (participates in β ladder)trans-129.8120.4-176.3-73.9-169.324.700110K846 L974 Q975 S977K846-Q1000 VanDerWaalsContact CE-OE1 3.3Å; L974-Q1000 WeakPolarHBondContact CA-O 3.15Å; Q975-Q1000 HydrophobicContact CG-CB 3.73Å; Q975-Q1000 PolarHBondContact N-O 3.33Å; Q975-Q1000 PolarHBondContact O-N 3.17Å; S977-Q1000 PolarHBondContact OG-NE2 3.41Å
1001A86.9Confident75.5Confident4 Ų440 Ų403%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-113.1141.217400000111.1K846 Q973 L974 F999 S1019 G1020 V1023 W1034K846-A1001 PolarHBondContact NZ-O 3.1Å; K846-A1001 VanDerWaalsContact NZ-O 3.11Å; Q973-A1001 CarbonylContact O-C 3.51Å; Q973-A1001 WeakPolarHBondContact O-CA 3.43Å; L974-A1001 HydrophobicContact CD2-CB 3.56Å; F999-A1001 HydrophobicContact CE1-CB 4.08Å; A1001-S1019 WeakPolarHBondContact O-CA 3.46Å; A1001-G1020 PolarHBondContact O-N 2.87Å; A1001-V1023 HydrophobicContact CB-CB 4.16Å; A1001-V1023 HydrophobicContact CB-CG1 4.13Å; A1001-V1023 HydrophobicContact CB-CG2 4.36Å; A1001-W1034 HydrophobicContact CB-CH2 3.6Å; A1001-W1034 HydrophobicContact CB-CZ2 3.8Å
1002T88.1Confident77.3Confident15 Ų1536.3 Ų36.39%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-148.8131.9-179.410.50000110.1K846 L972 Q973 L1018K846-T1002 HydrophobicContact CD-CG2 3.62Å; K846-T1002 VanDerWaalsContact NZ-CG2 3.32Å; K846-T1002 PolarHBondContact NZ-OG1 3.48Å; L972-T1002 CarbonylContact C-O 3.55Å; L972-T1002 WeakPolarHBondContact CA-O 3.37Å; Q973-T1002 PolarHBondContact N-O 3.47Å; Q973-T1002 PolarHBondContact O-N 2.56Å; Q973-T1002 PolarHBondContact O-OG1 3.38Å; T1002-L1018 CarbonylContact C-O 3.55Å; T1002-L1018 VanDerWaalsContact CA-O 3.32Å; T1002-L1018 WeakPolarHBondContact CA-O 3.46Å
1003A89.3Confident79.2Confident3 Ų337.3 Ų37.33%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-132.4152174.600000111.2H971 L972 L1005 W1017 L1018 V1023H971-A1003 CarbonylContact O-C 3.57Å; H971-A1003 WeakPolarHBondContact O-CA 3.41Å; L972-A1003 HydrophobicContact CD1-CB 3.98Å; A1003-L1005 HydrophobicContact CB-CD2 4.42Å; A1003-W1017 WeakPolarHBondContact O-CA 3.42Å; A1003-L1018 HydrophobicContact CB-CB 4.34Å; A1003-L1018 PolarHBondContact N-O 3.17Å; A1003-L1018 PolarHBondContact O-N 3.16Å; A1003-V1023 HydrophobicContact CB-CG1 4.14Å; A1003-V1023 HydrophobicContact CB-CG2 4.11Å
1004R89.8Confident81.2Confident67 Ų6730.4 Ų30.425%0.25321%0.207SC..EExtended strand (participates in β ladder)trans-123.7123.4171.2-170.5-171.4-171.4176.43.4108.3L970 H971 H1015 V1016 W1017L970-R1004 HydrophobicContact CB-CB 4.44Å; L970-R1004 HydrophobicContact CB-CG 4.44Å; L970-R1004 WeakPolarHBondContact CB-O 3.31Å; L970-R1004 HydrophobicContact CD1-CG 4.3Å; L970-R1004 PolarHBondContact N-O 2.78Å; H971-R1004 HydrophobicContact CB-CB 4.15Å; H971-R1004 PolarHBondContact N-O 2.97Å; H971-R1004 PolarHBondContact O-N 2.89Å; R1004-H1015 PolarHBondContact NH2-ND1 2.78Å; R1004-H1015 VanDerWaalsContact NH2-ND1 3.13Å; R1004-V1016 CarbonylContact C-O 3.52Å; R1004-V1016 WeakPolarHBondContact CA-O 3.2Å; R1004-W1017 HydrophobicContact CB-CD2 4.32Å; R1004-W1017 HydrophobicContact CB-CE3 4.07Å; R1004-W1017 HydrophobicContact CB-CH2 4.4Å; R1004-W1017 HydrophobicContact CB-CZ3 4.12Å; R1004-W1017 HydrophobicContact CG-CD2 4.07Å; R1004-W1017 HydrophobicContact CG-CE3 4.3Å; R1004-W1017 HydrophobicContact CG-CH2 4.33Å; R1004-W1017 HydrophobicContact CG-CZ2 4.07Å; R1004-W1017 HydrophobicContact CG-CZ3 4.43Å
1005L88.8Confident82.9Confident3 Ų330.6 Ų30.62%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-122160.8-174.4-50.5-177.6000111.5L966 C968 V969 A1003 H1015 V1016 L1018 V1026L966-L1005 HydrophobicContact CD1-CD1 4.29Å; L966-L1005 HydrophobicContact CD2-CB 4.35Å; L966-L1005 HydrophobicContact CD2-CD1 3.67Å; C968-L1005 CarbonylContact O-C 3.58Å; C968-L1005 WeakPolarHBondContact O-CA 3.31Å; V969-L1005 HydrophobicContact CB-CD2 3.78Å; V969-L1005 HydrophobicContact CG1-CD2 3.79Å; V969-L1005 HydrophobicContact CG2-CD2 3.45Å; V969-L1005 VanDerWaalsContact CG2-CD2 3.45Å; A1003-L1005 HydrophobicContact CB-CD2 4.42Å; L1005-H1015 CarbonylContact O-C 3.59Å; L1005-H1015 VanDerWaalsContact O-CA 3.28Å; L1005-H1015 WeakPolarHBondContact O-CA 3.39Å; L1005-V1016 PolarHBondContact N-O 2.7Å; L1005-V1016 PolarHBondContact O-N 3.26Å; L1005-L1018 HydrophobicContact CD1-CD1 3.27Å; L1005-L1018 HydrophobicContact CD1-CG 4.31Å; L1005-L1018 HydrophobicContact CG-CD1 3.92Å; L1005-V1026 HydrophobicContact CD1-CB 4.42Å; L1005-V1026 HydrophobicContact CD1-CG1 3.78Å; L1005-V1026 HydrophobicContact CD1-CG2 3.94Å; L1005-V1026 HydrophobicContact CD2-CG1 4.34Å
1006V88.8Confident84.6Confident7 Ų726.3 Ų26.34%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-99.4129.8164.3179.60000108.8V967 C968 L970 E1013V967-V1006 HydrophobicContact CB-CB 4.04Å; V967-V1006 HydrophobicContact CB-CG1 3.82Å; V967-V1006 HydrophobicContact CG1-CG1 4.36Å; V967-V1006 HydrophobicContact CG2-CG1 4.08Å; V967-V1006 PolarHBondContact N-O 3.24Å; C968-V1006 PolarHBondContact O-N 3.46Å; L970-V1006 HydrophobicContact CD1-CG2 3.78Å; L970-V1006 HydrophobicContact CD2-CG2 3.83Å; L970-V1006 HydrophobicContact CG-CG2 3.78Å; V1006-E1013 VanDerWaalsContact CG1-CD 3.48Å; V1006-E1013 HydrophobicContact CG1-CG 3.4Å; V1006-E1013 WeakPolarHBondContact CG1-OE1 3.17Å
1007F89.9Confident86Confident0 Ų028.7 Ų28.70%017%0.168CC..EExtended strand (participates in β ladder)trans-126.3136.9179.5-179.5-101.8000109.9L949 V962 H965 L966 E1013 A1014 V1016 V1083 L1085L949-F1007 HydrophobicContact CD1-CD1 3.82Å; L949-F1007 HydrophobicContact CD1-CE1 4.1Å; V962-F1007 HydrophobicContact CB-CE1 4.06Å; V962-F1007 HydrophobicContact CG2-CD1 4.27Å; V962-F1007 HydrophobicContact CG2-CE1 3.51Å; V962-F1007 HydrophobicContact CG2-CZ 4.06Å; H965-F1007 WeakPolarHBondContact O-CA 3.4Å; H965-F1007 VanDerWaalsContact O-CD2 3.3Å; H965-F1007 WeakPolarHBondContact O-CD2 3.35Å; L966-F1007 HydrophobicContact CD2-CD2 3.95Å; F1007-E1013 WeakPolarHBondContact O-CA 3.39Å; F1007-A1014 PolarHBondContact N-O 2.84Å; F1007-A1014 PolarHBondContact O-N 3.46Å; F1007-V1016 HydrophobicContact CB-CG2 3.72Å; F1007-V1016 HydrophobicContact CG-CG2 4.4Å; F1007-V1083 HydrophobicContact CD2-CG2 4.09Å; F1007-V1083 HydrophobicContact CE2-CG2 3.52Å; F1007-L1085 HydrophobicContact CB-CD1 4.33Å; F1007-L1085 HydrophobicContact CD1-CD1 4.03Å; F1007-L1085 HydrophobicContact CD2-CD1 3.49Å; F1007-L1085 VanDerWaalsContact CD2-CD1 3.49Å; F1007-L1085 HydrophobicContact CD2-CG 4.31Å; F1007-L1085 HydrophobicContact CE1-CD1 4.16Å; F1007-L1085 HydrophobicContact CE2-CD1 3.61Å; F1007-L1085 HydrophobicContact CE2-CG 3.94Å; F1007-L1085 HydrophobicContact CG-CD1 3.69Å; F1007-L1085 HydrophobicContact CZ-CD1 3.91Å; F1007-L1085 HydrophobicContact CZ-CG 4.11Å
1008D89.8Confident86.9Confident60 Ų6027.7 Ų27.732%0.32116%0.158SC..EExtended strand (participates in β ladder)trans-135126.6-175.8-171.1-9.1000110.4G964 H965 V967 G1010G964-D1008 CarbonylContact C-O 3.28Å; G964-D1008 WeakPolarHBondContact CA-O 3.22Å; H965-D1008 PolarHBondContact N-O 2.89Å; H965-D1008 PolarHBondContact O-N 3.36Å; V967-D1008 HydrophobicContact CG2-CB 3.64Å; D1008-G1010 WeakPolarHBondContact OD1-CA 3.26Å; D1008-G1010 PolarHBondContact OD1-N 3.42Å
1009D89.5Confident87.5Confident21 Ų2128.8 Ų28.811%0.11217%0.166CC..  trans-102.26.7177.878.7-22.2000113.5H948 L949 K963 T1011 A1012H948-D1009 VanDerWaalsContact CA-OD2 3.3Å; H948-D1009 WeakPolarHBondContact CA-OD2 3.26Å; H948-D1009 IonicContact CG-OD2 3.95Å; H948-D1009 IonicContact ND1-OD2 3.47Å; H948-D1009 PolarHBondContact ND1-OD2 3.08Å; L949-D1009 HydrophobicContact CD1-CB 3.85Å; L949-D1009 HydrophobicContact CG-CB 4.11Å; L949-D1009 PolarHBondContact N-OD2 3.32Å; K963-D1009 VanDerWaalsContact O-CB 3.3Å; K963-D1009 WeakPolarHBondContact O-CB 3.44Å; D1009-T1011 VanDerWaalsContact C-N 3.26Å; D1009-T1011 PolarHBondContact O-N 3.28Å; D1009-T1011 WeakPolarHBondContact OD1-CA 3.46Å; D1009-T1011 WeakPolarHBondContact OD1-CB 3.4Å; D1009-T1011 PolarHBondContact OD1-N 3.01Å; D1009-T1011 PolarHBondContact OD1-OG1 2.83Å; D1009-T1011 PolarHBondContact OD2-OG1 2.79Å; D1009-A1012 PolarHBondContact OD1-N 2.95Å
1010G84.9Confident87.5Confident72 Ų7229.4 Ų29.474%0.74218%0.179SC*.SBendtrans85.1-13.1-173.800000114.1D1008D1008-G1010 WeakPolarHBondContact OD1-CA 3.26Å; D1008-G1010 PolarHBondContact OD1-N 3.42Å
1011T85.9Confident87.4Confident65 Ų6535 Ų3540%0.39920%0.197SC..SBendtrans-102.6-36.5176.275.50000112.5H948 A950 D1009H948-T1011 HydrophobicContact CB-CG2 4.03Å; A950-T1011 PolarHBondContact N-OG1 3.09Å; A950-T1011 VanDerWaalsContact N-OG1 3.15Å; D1009-T1011 VanDerWaalsContact C-N 3.26Å; D1009-T1011 PolarHBondContact O-N 3.28Å; D1009-T1011 WeakPolarHBondContact OD1-CA 3.46Å; D1009-T1011 WeakPolarHBondContact OD1-CB 3.4Å; D1009-T1011 PolarHBondContact OD1-N 3.01Å; D1009-T1011 PolarHBondContact OD1-OG1 2.83Å; D1009-T1011 PolarHBondContact OD2-OG1 2.79Å
1012A84.8Confident87.3Confident31 Ų3135.8 Ų35.826%0.25620%0.202SC..  trans-158.3166.1176.400000112.2L949 A950 D1009L949-A1012 HydrophobicContact CB-CB 3.87Å; L949-A1012 WeakPolarHBondContact CD1-O 3.38Å; A950-A1012 HydrophobicContact CB-CB 4.21Å; D1009-A1012 PolarHBondContact OD1-N 2.95Å
1013E87.6Confident87.2Confident54 Ų5435.1 Ų35.125%0.25220%0.198SC..EExtended strand (participates in β ladder)trans-101137.5174.9-170.4-167.5143.200110.8V1006 F1007 H1015 R1115V1006-E1013 VanDerWaalsContact CG1-CD 3.48Å; V1006-E1013 HydrophobicContact CG1-CG 3.4Å; V1006-E1013 WeakPolarHBondContact CG1-OE1 3.17Å; F1007-E1013 WeakPolarHBondContact O-CA 3.39Å; E1013-H1015 IonicContact OE1-CD2 3.89Å; E1013-H1015 IonicContact OE1-NE2 3.59Å; E1013-R1115 IonicContact OE2-CZ 3.48Å; E1013-R1115 IonicContact OE2-NH1 3.76Å; E1013-R1115 PolarHBondContact OE2-NH1 3.28Å; E1013-R1115 IonicContact OE2-NH2 3.58Å; E1013-R1115 PolarHBondContact OE2-NH2 3.22Å
1014A89.6Confident87.1Confident0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-127.6148.5173.500000112L949 F1007 L1119 L1121L949-A1014 HydrophobicContact CD1-CB 4.15Å; L949-A1014 HydrophobicContact CD2-CB 3.93Å; F1007-A1014 PolarHBondContact N-O 2.84Å; F1007-A1014 PolarHBondContact O-N 3.46Å; A1014-L1119 CarbonylContact C-O 3.58Å; A1014-L1119 WeakPolarHBondContact CA-O 3.38Å; A1014-L1119 HydrophobicContact CB-CB 3.84Å; A1014-L1121 HydrophobicContact CB-CD1 3.66Å; A1014-L1121 HydrophobicContact CB-CG 4.14Å
1015H89.9Confident86.8Confident27 Ų2734.8 Ų34.813%0.12520%0.202CC..EExtended strand (participates in β ladder)trans-97.9118.5169.7-62.1-177.4000109.5R1004 L1005 E1013 L1119 Q1120 L1121R1004-H1015 PolarHBondContact NH2-ND1 2.78Å; R1004-H1015 VanDerWaalsContact NH2-ND1 3.13Å; L1005-H1015 CarbonylContact O-C 3.59Å; L1005-H1015 VanDerWaalsContact O-CA 3.28Å; L1005-H1015 WeakPolarHBondContact O-CA 3.39Å; E1013-H1015 IonicContact OE1-CD2 3.89Å; E1013-H1015 IonicContact OE1-NE2 3.59Å; H1015-L1119 PolarHBondContact N-O 3.09Å; H1015-Q1120 PolarHBondContact ND1-NE2 2.61Å; H1015-L1121 PolarHBondContact O-N 2.79Å
1016V90Very high86.5Confident1 Ų135.1 Ų35.11%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-106.5129.6-175.3-174.60000110.3R1004 L1005 F1007 L1018 L1085 L1121 C1123R1004-V1016 CarbonylContact C-O 3.52Å; R1004-V1016 WeakPolarHBondContact CA-O 3.2Å; L1005-V1016 PolarHBondContact N-O 2.7Å; L1005-V1016 PolarHBondContact O-N 3.26Å; F1007-V1016 HydrophobicContact CB-CG2 3.72Å; F1007-V1016 HydrophobicContact CG-CG2 4.4Å; V1016-L1018 HydrophobicContact CG1-CD2 4.39Å; V1016-L1085 HydrophobicContact CG1-CD1 4.32Å; V1016-L1085 HydrophobicContact CG2-CD1 4.01Å; V1016-L1121 CarbonylContact C-O 3.53Å; V1016-L1121 WeakPolarHBondContact CA-O 3.41Å; V1016-L1121 HydrophobicContact CG2-CB 4.23Å; V1016-L1121 HydrophobicContact CG2-CD1 4.35Å; V1016-C1123 HydrophobicContact CG1-CB 3.6Å
1017W89.9Confident86.3Confident68 Ų6835.2 Ų35.226%0.25820%0.204SC..EExtended strand (participates in β ladder)trans-97129.1172.5-66.384.1000110.2A1003 R1004 L1121 C1123A1003-W1017 WeakPolarHBondContact O-CA 3.42Å; R1004-W1017 HydrophobicContact CB-CD2 4.32Å; R1004-W1017 HydrophobicContact CB-CE3 4.07Å; R1004-W1017 HydrophobicContact CB-CH2 4.4Å; R1004-W1017 HydrophobicContact CB-CZ3 4.12Å; R1004-W1017 HydrophobicContact CG-CD2 4.07Å; R1004-W1017 HydrophobicContact CG-CE3 4.3Å; R1004-W1017 HydrophobicContact CG-CH2 4.33Å; R1004-W1017 HydrophobicContact CG-CZ2 4.07Å; R1004-W1017 HydrophobicContact CG-CZ3 4.43Å; W1017-L1121 PolarHBondContact N-O 3.22Å; W1017-C1123 PolarHBondContact O-N 3.14Å
1018L87Confident86Confident4 Ų437.4 Ų37.42%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-117.6147.5177.7-62.1169.2000110.3T1002 A1003 L1005 V1016 P1022 V1023 V1026 C1123 L1126T1002-L1018 CarbonylContact C-O 3.55Å; T1002-L1018 VanDerWaalsContact CA-O 3.32Å; T1002-L1018 WeakPolarHBondContact CA-O 3.46Å; A1003-L1018 HydrophobicContact CB-CB 4.34Å; A1003-L1018 PolarHBondContact N-O 3.17Å; A1003-L1018 PolarHBondContact O-N 3.16Å; L1005-L1018 HydrophobicContact CD1-CD1 3.27Å; L1005-L1018 HydrophobicContact CD1-CG 4.31Å; L1005-L1018 HydrophobicContact CG-CD1 3.92Å; V1016-L1018 HydrophobicContact CG1-CD2 4.39Å; L1018-P1022 HydrophobicContact CB-CB 4.39Å; L1018-P1022 HydrophobicContact CD2-CB 3.61Å; L1018-P1022 HydrophobicContact CG-CB 4.47Å; L1018-V1023 HydrophobicContact CB-CG2 3.73Å; L1018-V1026 HydrophobicContact CD1-CB 4.24Å; L1018-V1026 HydrophobicContact CD1-CG2 3.57Å; L1018-C1123 HydrophobicContact CD2-CB 3.36Å; L1018-C1123 WeakPolarHBondContact CD2-SG 3.12Å; L1018-L1126 HydrophobicContact CD2-CD1 4.22Å
1019S83.9Confident85.7Confident30 Ų3035.4 Ų35.421%0.2122%0.216CC..EExtended strand (participates in β ladder)trans-147140.4171.570.50000111.9S844 A1001 P1022S844-S1019 WeakPolarHBondContact CB-OG 3.41Å; A1001-S1019 WeakPolarHBondContact O-CA 3.46Å; S1019-P1022 WeakPolarHBondContact O-CD 3.48Å
1020G82.1Confident85.5Confident33 Ų3336.8 Ų36.834%0.3423%0.231SC..SBendtrans77.6-133177.800000113.2A1001 V1023A1001-G1020 PolarHBondContact O-N 2.87Å; G1020-V1023 VanDerWaalsContact O-CB 3.3Å; G1020-V1023 WeakPolarHBondContact O-CB 2.84Å; G1020-V1023 PolarHBondContact O-N 3.46Å
1021R79.1Confident85.5Confident170 Ų17039.3 Ų39.364%0.64223%0.227SC*.Hα-helixtrans-56.8-42-175.4-76.3-174.2174.7174.2-2114.5V1023 Q1024 T1025R1021-V1023 PolarHBondContact O-N 3.03Å; R1021-V1023 VanDerWaalsContact O-N 3.09Å; R1021-Q1024 WeakPolarHBondContact O-CA 2.98Å; R1021-Q1024 VanDerWaalsContact O-CB 3.28Å; R1021-Q1024 WeakPolarHBondContact O-CB 3.31Å; R1021-Q1024 PolarHBondContact O-N 2.88Å; R1021-T1025 PolarHBondContact O-N 3.25Å; R1021-T1025 PolarHBondContact O-OG1 2.75Å
1022P83.9Confident85.4Confident20 Ų2040.5 Ų40.513%0.1324%0.239CC..Hα-helixtrans-56.8-28174.8-27.134.5000114.1L1018 S1019 V1026 L1126L1018-P1022 HydrophobicContact CB-CB 4.39Å; L1018-P1022 HydrophobicContact CD2-CB 3.61Å; L1018-P1022 HydrophobicContact CG-CB 4.47Å; S1019-P1022 WeakPolarHBondContact O-CD 3.48Å; P1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; P1022-V1026 PolarHBondContact O-N 2.87Å; P1022-L1126 HydrophobicContact CB-CB 4.33Å
1023V86.8Confident85.5Confident1 Ų144.2 Ų44.21%0.00625%0.25CS..Hα-helixtrans-70-39.9174.5-177.60000110.9L972 A1001 A1003 L1018 G1020 R1021 T1025 V1026 L1027 W1034L972-V1023 HydrophobicContact CD1-CG1 3.64Å; A1001-V1023 HydrophobicContact CB-CB 4.16Å; A1001-V1023 HydrophobicContact CB-CG1 4.13Å; A1001-V1023 HydrophobicContact CB-CG2 4.36Å; A1003-V1023 HydrophobicContact CB-CG1 4.14Å; A1003-V1023 HydrophobicContact CB-CG2 4.11Å; L1018-V1023 HydrophobicContact CB-CG2 3.73Å; G1020-V1023 VanDerWaalsContact O-CB 3.3Å; G1020-V1023 WeakPolarHBondContact O-CB 2.84Å; G1020-V1023 PolarHBondContact O-N 3.46Å; R1021-V1023 PolarHBondContact O-N 3.03Å; R1021-V1023 VanDerWaalsContact O-N 3.09Å; V1023-T1025 VanDerWaalsContact C-N 3.34Å; V1023-V1026 PolarHBondContact O-N 2.98Å; V1023-L1027 HydrophobicContact CG1-CD1 4.02Å; V1023-L1027 VanDerWaalsContact O-CG 3.25Å; V1023-L1027 WeakPolarHBondContact O-CG 3.34Å; V1023-L1027 PolarHBondContact O-N 3.27Å; V1023-L1027 VanDerWaalsContact O-N 3.09Å; V1023-W1034 HydrophobicContact CG1-CH2 4.33Å
1024Q86.1Confident85.5Confident14 Ų1442.6 Ų42.67%0.06524%0.242CC..Hα-helixtrans-61.5-44.8174.2177.5-173.6-8.700110.8R1021 L1027 G1028 L1029 D1031 W1034R1021-Q1024 WeakPolarHBondContact O-CA 2.98Å; R1021-Q1024 VanDerWaalsContact O-CB 3.28Å; R1021-Q1024 WeakPolarHBondContact O-CB 3.31Å; R1021-Q1024 PolarHBondContact O-N 2.88Å; Q1024-L1027 PolarHBondContact O-N 3.26Å; Q1024-G1028 PolarHBondContact O-N 3.14Å; Q1024-L1029 HydrophobicContact CG-CB 4.28Å; Q1024-L1029 VanDerWaalsContact CG-O 3.28Å; Q1024-L1029 WeakPolarHBondContact CG-O 3.25Å; Q1024-L1029 PolarHBondContact NE2-O 2.95Å; Q1024-L1029 VanDerWaalsContact NE2-O 3.12Å; Q1024-L1029 PolarHBondContact O-N 3Å; Q1024-D1031 PolarHBondContact NE2-OD1 2.99Å; Q1024-W1034 HydrophobicContact CB-CD2 3.83Å; Q1024-W1034 HydrophobicContact CB-CE3 3.99Å; Q1024-W1034 HydrophobicContact CB-CG 4.26Å; Q1024-W1034 HydrophobicContact CB-CH2 4.32Å; Q1024-W1034 HydrophobicContact CB-CZ2 4.16Å; Q1024-W1034 HydrophobicContact CB-CZ3 4.24Å; Q1024-W1034 HydrophobicContact CG-CB 3.93Å; Q1024-W1034 HydrophobicContact CG-CD2 3.79Å; Q1024-W1034 HydrophobicContact CG-CE3 4.05Å; Q1024-W1034 HydrophobicContact CG-CG 3.76Å; Q1024-W1034 VanDerWaalsContact OE1-CD1 3.26Å
1025T83.6Confident85.3Confident49 Ų4944.2 Ų44.230%0.30126%0.255SS..Hα-helixtrans-62.2-44.5178.8-48.20000112R1021 V1023 L1027 G1028 L1126 L1128R1021-T1025 PolarHBondContact O-N 3.25Å; R1021-T1025 PolarHBondContact O-OG1 2.75Å; V1023-T1025 VanDerWaalsContact C-N 3.34Å; T1025-L1027 VanDerWaalsContact C-N 3.29Å; T1025-L1027 PolarHBondContact O-N 2.85Å; T1025-G1028 PolarHBondContact O-N 2.88Å; T1025-L1126 HydrophobicContact CG2-CD2 3.53Å; T1025-L1128 HydrophobicContact CG2-CD1 3.8Å; T1025-L1128 HydrophobicContact CG2-CG 3.86Å
1026V83.7Confident85.1Confident10 Ų1044.1 Ų44.16%0.06126%0.262CS..Hα-helixtrans-66.7-31177.31690000112.9L966 L1005 L1018 P1022 V1023 G1028 V1078 L1126L966-V1026 HydrophobicContact CD1-CG1 4.32Å; L966-V1026 HydrophobicContact CD1-CG2 4.04Å; L1005-V1026 HydrophobicContact CD1-CB 4.42Å; L1005-V1026 HydrophobicContact CD1-CG1 3.78Å; L1005-V1026 HydrophobicContact CD1-CG2 3.94Å; L1005-V1026 HydrophobicContact CD2-CG1 4.34Å; L1018-V1026 HydrophobicContact CD1-CB 4.24Å; L1018-V1026 HydrophobicContact CD1-CG2 3.57Å; P1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; P1022-V1026 PolarHBondContact O-N 2.87Å; V1023-V1026 PolarHBondContact O-N 2.98Å; V1026-G1028 PolarHBondContact O-N 2.96Å; V1026-V1078 WeakPolarHBondContact O-CB 3.42Å; V1026-V1078 VanDerWaalsContact O-CG1 3.31Å; V1026-V1078 WeakPolarHBondContact O-CG1 3.37Å; V1026-L1126 HydrophobicContact CG2-CD1 3.39Å
1027L84.9Confident84.9Confident9 Ų944.5 Ų44.55%0.04726%0.264CS..THydrogen-bonded Turntrans-78.3-3.6174.5-66.1172.4000112.7L972 V1023 Q1024 T1025 L1029 W1034 L1073L972-L1027 HydrophobicContact CD1-CD1 4.34Å; L972-L1027 HydrophobicContact CD2-CD1 4.25Å; L972-L1027 HydrophobicContact CD2-CD2 4.2Å; V1023-L1027 HydrophobicContact CG1-CD1 4.02Å; V1023-L1027 VanDerWaalsContact O-CG 3.25Å; V1023-L1027 WeakPolarHBondContact O-CG 3.34Å; V1023-L1027 PolarHBondContact O-N 3.27Å; V1023-L1027 VanDerWaalsContact O-N 3.09Å; Q1024-L1027 PolarHBondContact O-N 3.26Å; T1025-L1027 VanDerWaalsContact C-N 3.29Å; T1025-L1027 PolarHBondContact O-N 2.85Å; L1027-L1029 VanDerWaalsContact C-N 3.26Å; L1027-L1029 HydrophobicContact CB-CD1 3.91Å; L1027-L1029 HydrophobicContact CB-CG 3.91Å; L1027-L1029 HydrophobicContact CD1-CD1 4.27Å; L1027-L1029 PolarHBondContact O-N 3.4Å; L1027-W1034 HydrophobicContact CD1-CZ3 4.01Å; L1027-L1073 HydrophobicContact CD2-CB 4.2Å
1028G81.9Confident84.8Confident47 Ų4743.4 Ų43.449%0.48526%0.261SS..THydrogen-bonded Turntrans65.325.8179.900000113.9Q1024 T1025 V1026Q1024-G1028 PolarHBondContact O-N 3.14Å; T1025-G1028 PolarHBondContact O-N 2.88Å; V1026-G1028 PolarHBondContact O-N 2.96Å
1029L85.5Confident84.5Confident17 Ų1751.1 Ų51.19%0.08929%0.29CS..  trans-95.9126.9-172.5-63.8175.5000112.4Q1024 L1027 Q1033 W1034 L1037 L1073Q1024-L1029 HydrophobicContact CG-CB 4.28Å; Q1024-L1029 VanDerWaalsContact CG-O 3.28Å; Q1024-L1029 WeakPolarHBondContact CG-O 3.25Å; Q1024-L1029 PolarHBondContact NE2-O 2.95Å; Q1024-L1029 VanDerWaalsContact NE2-O 3.12Å; Q1024-L1029 PolarHBondContact O-N 3Å; L1027-L1029 VanDerWaalsContact C-N 3.26Å; L1027-L1029 HydrophobicContact CB-CD1 3.91Å; L1027-L1029 HydrophobicContact CB-CG 3.91Å; L1027-L1029 HydrophobicContact CD1-CD1 4.27Å; L1027-L1029 PolarHBondContact O-N 3.4Å; L1029-Q1033 HydrophobicContact CB-CB 4.41Å; L1029-Q1033 HydrophobicContact CD2-CB 4.2Å; L1029-W1034 HydrophobicContact CD1-CE3 3.86Å; L1029-W1034 HydrophobicContact CD1-CZ3 4.31Å; L1029-L1037 HydrophobicContact CD1-CD2 3.73Å; L1029-L1073 HydrophobicContact CD1-CD1 4.22Å; L1029-L1073 HydrophobicContact CD2-CD1 4.11Å; L1029-L1073 HydrophobicContact CD2-CD2 4.26Å
1030A84.5Confident84.5Confident50 Ų5051.9 Ų51.941%0.41330%0.298SS..  trans-64.9158.5169.100000111.5S1032 Q1033 W1034A1030-S1032 PolarHBondContact O-N 3Å; A1030-S1032 VanDerWaalsContact O-N 3.15Å; A1030-Q1033 HydrophobicContact CB-CG 4.48Å; A1030-Q1033 PolarHBondContact O-N 3.25Å; A1030-W1034 PolarHBondContact O-N 3.24Å
1031D83.9Confident84.5Confident125 Ų12550.3 Ų50.367%0.66828%0.282SS*.Hα-helixtrans-55.9-36.4-177-75.1-28.7000113.6Q1024 A1035Q1024-D1031 PolarHBondContact NE2-OD1 2.99Å; D1031-A1035 WeakPolarHBondContact O-CB 3.38Å; D1031-A1035 PolarHBondContact O-N 3.02Å
1032S84.8Confident84.5Confident91 Ų9148.4 Ų48.464%0.63628%0.275SS*.Hα-helixtrans-67.4-41.6176.758.20000112.6A1030 G1036A1030-S1032 PolarHBondContact O-N 3Å; A1030-S1032 VanDerWaalsContact O-N 3.15Å; S1032-G1036 PolarHBondContact O-N 3.15Å
1033Q86.9Confident84Confident108 Ų10853.3 Ų53.351%0.50531%0.305SS..Hα-helixtrans-70.2-40.1177.3-65.8172.4-36.700111L1029 A1030 G1036 L1037L1029-Q1033 HydrophobicContact CB-CB 4.41Å; L1029-Q1033 HydrophobicContact CD2-CB 4.2Å; A1030-Q1033 HydrophobicContact CB-CG 4.48Å; A1030-Q1033 PolarHBondContact O-N 3.25Å; Q1033-G1036 WeakPolarHBondContact O-CA 3.34Å; Q1033-G1036 PolarHBondContact O-N 2.77Å; Q1033-G1036 VanDerWaalsContact O-N 3.15Å; Q1033-L1037 PolarHBondContact O-N 2.97Å
1034W88.3Confident83.3Confident21 Ų2156.9 Ų56.98%0.0832%0.318CS..Hα-helixtrans-61.3-44.5174-175.5-121.7000111.8L974 F999 A1001 V1023 Q1024 L1027 L1029 A1030 G1036 L1037 Q1038L974-W1034 HydrophobicContact CD2-CH2 4.16Å; F999-W1034 HydrophobicContact CD1-CZ2 4.38Å; F999-W1034 AromaticContact CE1-CH2 3.98Å; F999-W1034 HydrophobicContact CE1-CH2 3.98Å; F999-W1034 AromaticContact CE1-CZ2 3.61Å; F999-W1034 HydrophobicContact CE1-CZ2 3.61Å; A1001-W1034 HydrophobicContact CB-CH2 3.6Å; A1001-W1034 HydrophobicContact CB-CZ2 3.8Å; V1023-W1034 HydrophobicContact CG1-CH2 4.33Å; Q1024-W1034 HydrophobicContact CB-CD2 3.83Å; Q1024-W1034 HydrophobicContact CB-CE3 3.99Å; Q1024-W1034 HydrophobicContact CB-CG 4.26Å; Q1024-W1034 HydrophobicContact CB-CH2 4.32Å; Q1024-W1034 HydrophobicContact CB-CZ2 4.16Å; Q1024-W1034 HydrophobicContact CB-CZ3 4.24Å; Q1024-W1034 HydrophobicContact CG-CB 3.93Å; Q1024-W1034 HydrophobicContact CG-CD2 3.79Å; Q1024-W1034 HydrophobicContact CG-CE3 4.05Å; Q1024-W1034 HydrophobicContact CG-CG 3.76Å; Q1024-W1034 VanDerWaalsContact OE1-CD1 3.26Å; L1027-W1034 HydrophobicContact CD1-CZ3 4.01Å; L1029-W1034 HydrophobicContact CD1-CE3 3.86Å; L1029-W1034 HydrophobicContact CD1-CZ3 4.31Å; A1030-W1034 PolarHBondContact O-N 3.24Å; W1034-G1036 VanDerWaalsContact C-N 3.3Å; W1034-G1036 PolarHBondContact O-N 2.88Å; W1034-L1037 HydrophobicContact CE3-CD2 3.94Å; W1034-L1037 HydrophobicContact CZ3-CD2 3.85Å; W1034-L1037 PolarHBondContact O-N 3.28Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.27Å; W1034-Q1038 VanDerWaalsContact O-CG 3.28Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.18Å; W1034-Q1038 PolarHBondContact O-N 2.77Å
1035A85.1Confident82.7Confident33 Ų3356.4 Ų56.427%0.27332%0.317SS..Hα-helixtrans-62.8-36.9173.100000112.3D1031 R1039D1031-A1035 WeakPolarHBondContact O-CB 3.38Å; D1031-A1035 PolarHBondContact O-N 3.02Å; A1035-R1039 WeakPolarHBondContact O-CG 3.49Å; A1035-R1039 PolarHBondContact O-N 3.13Å; A1035-R1039 VanDerWaalsContact O-N 3.13Å
1036G84.8Confident82.6Confident26 Ų2656.9 Ų56.927%0.26832%0.315SS..Hα-helixtrans-58.2-50.9170.800000112.6S1032 Q1033 W1034 Q1038 R1039 A1040S1032-G1036 PolarHBondContact O-N 3.15Å; Q1033-G1036 WeakPolarHBondContact O-CA 3.34Å; Q1033-G1036 PolarHBondContact O-N 2.77Å; Q1033-G1036 VanDerWaalsContact O-N 3.15Å; W1034-G1036 VanDerWaalsContact C-N 3.3Å; W1034-G1036 PolarHBondContact O-N 2.88Å; G1036-Q1038 PolarHBondContact O-N 2.92Å; G1036-R1039 WeakPolarHBondContact O-CB 3.48Å; G1036-R1039 PolarHBondContact O-N 2.89Å; G1036-R1039 VanDerWaalsContact O-N 3.16Å; G1036-A1040 PolarHBondContact O-N 3Å
1037L87.1Confident82.6Confident8 Ų856.6 Ų56.64%0.04231%0.313CS..Hα-helixtrans-61.1-43.4178.2178.860.2000111.9L974 L1029 Q1033 W1034 R1039 A1040 V1041 L1066 F1069 L1070L974-L1037 HydrophobicContact CD1-CD1 4.31Å; L974-L1037 HydrophobicContact CD1-CD2 3.84Å; L974-L1037 HydrophobicContact CD1-CG 4.15Å; L1029-L1037 HydrophobicContact CD1-CD2 3.73Å; Q1033-L1037 PolarHBondContact O-N 2.97Å; W1034-L1037 HydrophobicContact CE3-CD2 3.94Å; W1034-L1037 HydrophobicContact CZ3-CD2 3.85Å; W1034-L1037 PolarHBondContact O-N 3.28Å; L1037-R1039 VanDerWaalsContact C-N 3.29Å; L1037-R1039 PolarHBondContact O-N 3.3Å; L1037-A1040 PolarHBondContact O-N 2.88Å; L1037-V1041 HydrophobicContact CD1-CG2 4.08Å; L1037-V1041 HydrophobicContact CG-CG2 4.42Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.1Å; L1037-V1041 PolarHBondContact O-N 2.64Å; L1037-L1066 HydrophobicContact CD1-CD1 3.61Å; L1037-F1069 HydrophobicContact CD1-CE1 4.5Å; L1037-L1070 HydrophobicContact CD1-CD2 4.09Å; L1037-L1070 HydrophobicContact CD2-CD2 4.13Å
1038Q86.3Confident82.6Confident45 Ų4558.1 Ų58.121%0.2132%0.32CS..Hα-helixtrans-55.7-43.9174.4-76.5-178.11.500112W976 F999 W1034 G1036 R1042W976-Q1038 HydrophobicContact CZ2-CB 4.09Å; W976-Q1038 PolarHBondContact NE1-O 2.93Å; F999-Q1038 HydrophobicContact CD1-CG 3.52Å; F999-Q1038 HydrophobicContact CD2-CG 4.13Å; F999-Q1038 HydrophobicContact CE1-CG 3.53Å; F999-Q1038 HydrophobicContact CE2-CG 4.13Å; F999-Q1038 HydrophobicContact CG-CG 3.81Å; F999-Q1038 HydrophobicContact CZ-CG 3.82Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.27Å; W1034-Q1038 VanDerWaalsContact O-CG 3.28Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.18Å; W1034-Q1038 PolarHBondContact O-N 2.77Å; G1036-Q1038 PolarHBondContact O-N 2.92Å; Q1038-R1042 WeakPolarHBondContact O-CB 3.19Å; Q1038-R1042 PolarHBondContact O-N 2.89Å
1039R81.9Confident82.6Confident166 Ų16655.9 Ų55.963%0.62630%0.297SS*.Hα-helixtrans-65-42.5176.9-72.1-178-67.5-128.31.1112A1035 G1036 L1037 R1042A1035-R1039 WeakPolarHBondContact O-CG 3.49Å; A1035-R1039 PolarHBondContact O-N 3.13Å; A1035-R1039 VanDerWaalsContact O-N 3.13Å; G1036-R1039 WeakPolarHBondContact O-CB 3.48Å; G1036-R1039 PolarHBondContact O-N 2.89Å; G1036-R1039 VanDerWaalsContact O-N 3.16Å; L1037-R1039 VanDerWaalsContact C-N 3.29Å; L1037-R1039 PolarHBondContact O-N 3.3Å; R1039-R1042 VanDerWaalsContact O-CB 3.3Å; R1039-R1042 WeakPolarHBondContact O-CB 3.45Å; R1039-R1042 PolarHBondContact O-N 2.93Å
1040A82.7Confident82.4Confident46 Ų4657.6 Ų57.638%0.3830%0.304SS..Hα-helixtrans-62.5-47.9177.300000111.8G1036 L1037 R1042 V1043 L1066G1036-A1040 PolarHBondContact O-N 3Å; L1037-A1040 PolarHBondContact O-N 2.88Å; A1040-R1042 PolarHBondContact O-N 3.4Å; A1040-V1043 PolarHBondContact O-N 3.34Å; A1040-L1066 HydrophobicContact CB-CD1 4.22Å
1041V83.9Confident81.9Confident0 Ų056.8 Ų56.80%030%0.295CS..Hα-helixtrans-64.5-27.9177179.90000111.5L974 F999 L1037 V1043 R1044 G1045 I1047 L1066L974-V1041 HydrophobicContact CB-CG1 4.16Å; L974-V1041 HydrophobicContact CB-CG2 4.22Å; L974-V1041 HydrophobicContact CD1-CG2 4.09Å; F999-V1041 HydrophobicContact CE2-CB 4.14Å; F999-V1041 HydrophobicContact CE2-CG1 4.07Å; L1037-V1041 HydrophobicContact CD1-CG2 4.08Å; L1037-V1041 HydrophobicContact CG-CG2 4.42Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.1Å; L1037-V1041 PolarHBondContact O-N 2.64Å; V1041-V1043 PolarHBondContact O-N 3.05Å; V1041-R1044 CarbonylContact O-C 3.59Å; V1041-R1044 PolarHBondContact O-N 2.83Å; V1041-R1044 VanDerWaalsContact O-N 3.14Å; V1041-G1045 PolarHBondContact O-N 3.27Å; V1041-I1047 HydrophobicContact CG1-CG2 4.21Å; V1041-I1047 HydrophobicContact CG2-CG2 4.05Å; V1041-L1066 HydrophobicContact CG2-CD2 4.09Å
1042R77.4Confident80.8Confident131 Ų13152.8 Ų52.849%0.49428%0.283SS..Hα-helixtrans-62.4-30.5178.4-164171.8175.6141.9-3.6113.4W976 Q1038 R1039 A1040W976-R1042 HydrophobicContact CD2-CB 4.33Å; W976-R1042 HydrophobicContact CD2-CG 4.04Å; W976-R1042 HydrophobicContact CG-CB 4.35Å; W976-R1042 HydrophobicContact CG-CG 4.21Å; W976-R1042 HydrophobicContact CZ2-CB 4.2Å; W976-R1042 HydrophobicContact CZ2-CG 4.26Å; W976-R1042 VanDerWaalsContact NE1-CA 3.33Å; W976-R1042 VanDerWaalsContact NE1-CB 3.35Å; Q1038-R1042 WeakPolarHBondContact O-CB 3.19Å; Q1038-R1042 PolarHBondContact O-N 2.89Å; R1039-R1042 VanDerWaalsContact O-CB 3.3Å; R1039-R1042 WeakPolarHBondContact O-CB 3.45Å; R1039-R1042 PolarHBondContact O-N 2.93Å; A1040-R1042 PolarHBondContact O-N 3.4Å
1043V73.7Confident79.4Confident123 Ų12351.9 Ų51.975%0.74529%0.288SS*.Hα-helixtrans-70.8-39.8176.7-177.50000110.4A1040 V1041A1040-V1043 PolarHBondContact O-N 3.34Å; V1041-V1043 PolarHBondContact O-N 3.05Å
1044R72.9Confident77.6Confident75 Ų7556.9 Ų56.928%0.28330%0.302SS..Hα-helixtrans-85.1-21.8-178-164.2171.2176.3-178-6.1114V1041 H1046 D1059 D1064V1041-R1044 CarbonylContact O-C 3.59Å; V1041-R1044 PolarHBondContact O-N 2.83Å; V1041-R1044 VanDerWaalsContact O-N 3.14Å; R1044-H1046 VanDerWaalsContact C-N 3.28Å; R1044-H1046 PolarHBondContact O-N 3.47Å; R1044-H1046 VanDerWaalsContact O-N 3.16Å; R1044-D1059 PolarHBondContact NH2-O 2.99Å; R1044-D1059 VanDerWaalsContact NH2-O 3.09Å; R1044-D1064 IonicContact CZ-OD2 2.71Å; R1044-D1064 IonicContact NE-OD2 3.63Å; R1044-D1064 IonicContact NH1-OD1 3.76Å; R1044-D1064 PolarHBondContact NH1-OD1 2.89Å; R1044-D1064 IonicContact NH1-OD2 3.55Å; R1044-D1064 PolarHBondContact NH1-OD2 3.17Å; R1044-D1064 IonicContact NH2-OD2 3.67Å
1045G72.8Confident75.6Confident4 Ų462 Ų624%0.04134%0.341CS..SBendtrans85-52.4-178.200000113.3Q975 W976 V1041Q975-G1045 CarbonylContact C-O 3.5Å; Q975-G1045 WeakPolarHBondContact CA-O 3.4Å; W976-G1045 PolarHBondContact N-O 3.37Å; V1041-G1045 PolarHBondContact O-N 3.27Å
1046H81.4Confident73.9Confident60 Ų6065.8 Ų65.828%0.27836%0.356SS..EExtended strand (participates in β ladder)trans-149.6157.9177.372.1-54000112.1L974 Q975 M984 R1044 H1048L974-H1046 CarbonylContact O-C 3.58Å; L974-H1046 VanDerWaalsContact O-CA 3.31Å; L974-H1046 WeakPolarHBondContact O-CA 3.45Å; Q975-H1046 HydrophobicContact CB-CB 3.76Å; M984-H1046 HydrophobicContact CE-CB 4.33Å; M984-H1046 WeakPolarHBondContact CE-CE1 3.32Å; M984-H1046 WeakPolarHBondContact CE-ND1 3.35Å; R1044-H1046 VanDerWaalsContact C-N 3.28Å; R1044-H1046 PolarHBondContact O-N 3.47Å; R1044-H1046 VanDerWaalsContact O-N 3.16Å; H1046-H1048 AromaticContact CD2-CD2 3.61Å; H1046-H1048 AromaticContact CD2-NE2 3.65Å
1047I85Confident72.4Confident3 Ų376 Ų762%0.01539%0.387CS..EExtended strand (participates in β ladder)trans-148.9134.7174.2-172.5160.4000109.8Q973 L974 V1041 V1049 L1066 L1067 L1070Q973-I1047 WeakPolarHBondContact CA-O 3.28Å; L974-I1047 HydrophobicContact CB-CG2 3.71Å; L974-I1047 HydrophobicContact CD1-CG2 4.19Å; L974-I1047 HydrophobicContact CG-CG2 4.22Å; L974-I1047 PolarHBondContact N-O 2.83Å; L974-I1047 PolarHBondContact O-N 3.42Å; V1041-I1047 HydrophobicContact CG1-CG2 4.21Å; V1041-I1047 HydrophobicContact CG2-CG2 4.05Å; I1047-V1049 HydrophobicContact CG1-CG2 4.22Å; I1047-L1066 HydrophobicContact CD1-CD2 3.95Å; I1047-L1066 HydrophobicContact CD1-CG 3.91Å; I1047-L1067 HydrophobicContact CD1-CB 4.45Å; I1047-L1070 HydrophobicContact CD1-CD1 3.63Å; I1047-L1070 HydrophobicContact CG1-CD1 4.11Å; I1047-L1070 HydrophobicContact CG2-CD1 3.94Å
1048H83Confident70.9Confident41 Ų4177.5 Ų77.519%0.1940%0.397CS..EExtended strand (participates in β ladder)trans-118.8135.7175-68.1-96.3000109.1H971 L972 Q973 H1046 F1050 T1058H971-H1048 AromaticContact NE2-ND1 3.38Å; H971-H1048 PolarHBondContact NE2-ND1 2.84Å; L972-H1048 CarbonylContact O-C 3.54Å; L972-H1048 WeakPolarHBondContact O-CA 3.27Å; Q973-H1048 WeakPolarHBondContact CG-CE1 3.43Å; Q973-H1048 PolarHBondContact NE2-CE1 3.26Å; Q973-H1048 VanDerWaalsContact NE2-CE1 3.26Å; H1046-H1048 AromaticContact CD2-CD2 3.61Å; H1046-H1048 AromaticContact CD2-NE2 3.65Å; H1048-F1050 HydrophobicContact CB-CE2 4.18Å; H1048-T1058 WeakPolarHBondContact O-CG2 3.22Å
1049V83.1Confident69.3Low0 Ų081.1 Ų81.10%042%0.417CS..EExtended strand (participates in β ladder)trans-131.4132.6-177.8-169.80000109.1H971 L972 I1047 P1051 L1067 L1070 L1071H971-V1049 CarbonylContact C-O 3.58Å; H971-V1049 WeakPolarHBondContact CA-O 3.47Å; L972-V1049 HydrophobicContact CB-CB 4.23Å; L972-V1049 PolarHBondContact N-O 2.95Å; L972-V1049 PolarHBondContact O-N 2.8Å; I1047-V1049 HydrophobicContact CG1-CG2 4.22Å; V1049-P1051 HydrophobicContact CG1-CG 4.08Å; V1049-L1067 HydrophobicContact CB-CD1 4.48Å; V1049-L1067 HydrophobicContact CG1-CD1 4.19Å; V1049-L1067 HydrophobicContact CG2-CD1 3.84Å; V1049-L1070 HydrophobicContact CG2-CB 3.96Å; V1049-L1070 HydrophobicContact CG2-CD1 3.84Å; V1049-L1071 HydrophobicContact CG1-CD2 3.43Å; V1049-L1071 VanDerWaalsContact CG1-CD2 3.43Å; V1049-L1071 HydrophobicContact CG1-CG 3.84Å
1050F81.9Confident68.1Low53 Ų5374.8 Ų74.823%0.23240%0.403CS..  trans-124.283.5177.1-62.3-85.3000110H971 H1048 L1056H971-F1050 HydrophobicContact CB-CD1 4.22Å; H971-F1050 HydrophobicContact CB-CE1 4.13Å; H971-F1050 AromaticContact CD2-CD1 3.81Å; H971-F1050 AromaticContact CD2-CE1 3.2Å; H971-F1050 WeakPolarHBondContact CD2-CE1 3.48Å; H971-F1050 AromaticContact CD2-CZ 3.41Å; H971-F1050 VanDerWaalsContact CD2-CZ 3.41Å; H971-F1050 WeakPolarHBondContact CD2-CZ 3.3Å; H971-F1050 AromaticContact CG-CE1 3.92Å; H971-F1050 AromaticContact NE2-CZ 3.89Å; H1048-F1050 HydrophobicContact CB-CE2 4.18Å; F1050-L1056 HydrophobicContact CE1-CD2 4.05Å; F1050-L1056 HydrophobicContact CZ-CD2 4.07Å
1051P72.2Confident66.9Low34 Ų3479 Ų7922%0.22142%0.42CS..  trans-67.1-39.7-173.7-19.932.6000113.3V969 V1049 G1053 L1071 C1074V969-P1051 HydrophobicContact CB-CG 4.09Å; V969-P1051 HydrophobicContact CG1-CG 4.09Å; V969-P1051 WeakPolarHBondContact O-CD 3.31Å; V1049-P1051 HydrophobicContact CG1-CG 4.08Å; P1051-G1053 PolarHBondContact O-N 3.09Å; P1051-L1071 HydrophobicContact CB-CD2 4.42Å; P1051-C1074 HydrophobicContact CB-CB 3.98Å; P1051-C1074 HydrophobicContact CG-CB 3.41Å; P1051-C1074 VanDerWaalsContact CG-CB 3.41Å
1052G61Low65.5Low40 Ų4084.5 Ų84.541%0.41245%0.453SS..SBendtrans-79.779.9178.400000112.3R1054G1052-R1054 PolarHBondContact O-N 3.37Å
1053G55.6Low64.6Low73 Ų7385.9 Ų85.975%0.75347%0.465SS*.  trans-46.896.8-178.700000114.4P1051P1051-G1053 PolarHBondContact O-N 3.09Å
1054R48.8Very low64.6Low212 Ų21282.1 Ų82.180%0.844%0.441SS*.SBendtrans-139.293.6161.3-67.1-169-175.6-157.82.4107.9G1052 L1056G1052-R1054 PolarHBondContact O-N 3.37Å; R1054-L1056 VanDerWaalsContact C-N 3.29Å; R1054-L1056 PolarHBondContact O-N 3.01Å
1055S47.2Very low65Low129 Ų12984.3 Ų84.390%0.90246%0.462SS*.SBendtrans54.38.1166.485.20000120.9
1056L48.6Very low65.5Low112 Ų11285.5 Ų85.559%0.58647%0.468SS*.  trans-105123167.9-89.285.2000110.1F1050 R1054F1050-L1056 HydrophobicContact CE1-CD2 4.05Å; F1050-L1056 HydrophobicContact CZ-CD2 4.07Å; R1054-L1056 VanDerWaalsContact C-N 3.29Å; R1054-L1056 PolarHBondContact O-N 3.01Å
1057R53.2Low65.5Low240 Ų24083.2 Ų83.291%0.90646%0.457SS*.  trans-68.9130.6173.8-83.7177.5135.4161.8-5.6109.7
1058T56.2Low65.3Low41 Ų4187.8 Ų87.825%0.25248%0.478SS..  trans-67.8132.7167.6-45.30000109.1H1048 G1060 L1067H1048-T1058 WeakPolarHBondContact O-CG2 3.22Å; T1058-G1060 PolarHBondContact O-N 2.71Å; T1058-L1067 HydrophobicContact CG2-CD1 3.54Å; T1058-L1067 HydrophobicContact CG2-CD2 3.96Å; T1058-L1067 HydrophobicContact CG2-CG 4.38Å
1059D53.3Low65.4Low121 Ų12190.3 Ų90.365%0.64749%0.489SS*.SBendtrans-82.483.8-174.8-144.212.3000109.4R1044R1044-D1059 PolarHBondContact NH2-O 2.99Å; R1044-D1059 VanDerWaalsContact NH2-O 3.09Å
1060G55.6Low65.6Low32 Ų3290.3 Ų90.333%0.3349%0.489SS..SBendtrans-179.8149.9178.700000114.2T1058T1058-G1060 PolarHBondContact O-N 2.71Å
1061D57.5Low65.7Low135 Ų13590.1 Ų90.172%0.72249%0.49SS*.  trans-59.4139.9168.9-74.2-35.1000110.2E1063 D1064D1061-E1063 PolarHBondContact O-N 2.84Å; D1061-D1064 WeakPolarHBondContact O-CB 3.29Å; D1061-D1064 PolarHBondContact O-N 2.91Å; D1061-D1064 VanDerWaalsContact O-N 3.1Å
1062T55.6Low66.2Low115 Ų11592.5 Ų92.571%0.70651%0.508SS*.THydrogen-bonded Turntrans-62.8-7.7179.642.90000114.1H1068T1062-H1068 PolarHBondContact O-NE2 2.78Å
1063E57.3Low67.3Low161 Ų16192.6 Ų92.675%0.75250%0.498SS*.THydrogen-bonded Turntrans-97.21.8177.9-64.1-60143.600113.6D1061 V1065D1061-E1063 PolarHBondContact O-N 2.84Å; E1063-V1065 PolarHBondContact O-N 3.17Å
1064D75.4Confident68.5Low43 Ų4389.3 Ų89.323%0.2346%0.464CS..  trans-77.2108.4-175.8-166-52000112.4R1044 D1061 L1066 L1067 H1068R1044-D1064 IonicContact CZ-OD2 2.71Å; R1044-D1064 IonicContact NE-OD2 3.63Å; R1044-D1064 IonicContact NH1-OD1 3.76Å; R1044-D1064 PolarHBondContact NH1-OD1 2.89Å; R1044-D1064 IonicContact NH1-OD2 3.55Å; R1044-D1064 PolarHBondContact NH1-OD2 3.17Å; R1044-D1064 IonicContact NH2-OD2 3.67Å; D1061-D1064 WeakPolarHBondContact O-CB 3.29Å; D1061-D1064 PolarHBondContact O-N 2.91Å; D1061-D1064 VanDerWaalsContact O-N 3.1Å; D1064-L1066 VanDerWaalsContact C-N 3.25Å; D1064-L1066 PolarHBondContact O-N 3.33Å; D1064-L1066 WeakPolarHBondContact OD1-CA 3.23Å; D1064-L1066 VanDerWaalsContact OD1-CB 3.24Å; D1064-L1066 WeakPolarHBondContact OD1-CB 3.46Å; D1064-L1066 PolarHBondContact OD1-N 3.05Å; D1064-L1067 HydrophobicContact CB-CB 3.94Å; D1064-L1067 WeakPolarHBondContact O-CB 3.49Å; D1064-L1067 PolarHBondContact O-N 2.9Å; D1064-L1067 PolarHBondContact OD1-N 3.21Å; D1064-L1067 VanDerWaalsContact OD1-N 3.17Å; D1064-H1068 PolarHBondContact O-CD2 3.21Å; D1064-H1068 PolarHBondContact O-N 2.9Å
1065V80.8Confident69.8Low121 Ų12183.5 Ų83.573%0.73346%0.456SS*.Hα-helixtrans-56.4-36.2179.1-177.90000112.6E1063 F1069E1063-V1065 PolarHBondContact O-N 3.17Å; V1065-F1069 VanDerWaalsContact O-CB 3.29Å; V1065-F1069 WeakPolarHBondContact O-CB 3.1Å; V1065-F1069 PolarHBondContact O-N 3.02Å
1066L82.3Confident70.9Confident29 Ų2978.6 Ų78.615%0.15243%0.425CS..Hα-helixtrans-70.6-36.6178.3179.865000110.8L1037 A1040 V1041 I1047 D1064 L1070L1037-L1066 HydrophobicContact CD1-CD1 3.61Å; A1040-L1066 HydrophobicContact CB-CD1 4.22Å; V1041-L1066 HydrophobicContact CG2-CD2 4.09Å; I1047-L1066 HydrophobicContact CD1-CD2 3.95Å; I1047-L1066 HydrophobicContact CD1-CG 3.91Å; D1064-L1066 VanDerWaalsContact C-N 3.25Å; D1064-L1066 PolarHBondContact O-N 3.33Å; D1064-L1066 WeakPolarHBondContact OD1-CA 3.23Å; D1064-L1066 VanDerWaalsContact OD1-CB 3.24Å; D1064-L1066 WeakPolarHBondContact OD1-CB 3.46Å; D1064-L1066 PolarHBondContact OD1-N 3.05Å; L1066-L1070 HydrophobicContact CG-CD1 4.47Å; L1066-L1070 VanDerWaalsContact O-CG 3.3Å; L1066-L1070 WeakPolarHBondContact O-CG 3.25Å; L1066-L1070 PolarHBondContact O-N 2.71Å
1067L82.1Confident71.6Confident12 Ų1280.3 Ų80.36%0.06344%0.435CS..Hα-helixtrans-67.5-45.2175.6179.158.8000111.5I1047 V1049 T1058 D1064 F1069 L1070 L1071I1047-L1067 HydrophobicContact CD1-CB 4.45Å; V1049-L1067 HydrophobicContact CB-CD1 4.48Å; V1049-L1067 HydrophobicContact CG1-CD1 4.19Å; V1049-L1067 HydrophobicContact CG2-CD1 3.84Å; T1058-L1067 HydrophobicContact CG2-CD1 3.54Å; T1058-L1067 HydrophobicContact CG2-CD2 3.96Å; T1058-L1067 HydrophobicContact CG2-CG 4.38Å; D1064-L1067 HydrophobicContact CB-CB 3.94Å; D1064-L1067 WeakPolarHBondContact O-CB 3.49Å; D1064-L1067 PolarHBondContact O-N 2.9Å; D1064-L1067 PolarHBondContact OD1-N 3.21Å; D1064-L1067 VanDerWaalsContact OD1-N 3.17Å; L1067-F1069 VanDerWaalsContact C-N 3.34Å; L1067-F1069 PolarHBondContact O-N 3.03Å; L1067-L1070 PolarHBondContact O-N 3.38Å; L1067-L1071 HydrophobicContact CD1-CD1 4.2Å; L1067-L1071 HydrophobicContact CD1-CG 4.27Å; L1067-L1071 HydrophobicContact CG-CD1 4.03Å; L1067-L1071 WeakPolarHBondContact O-CB 3.43Å; L1067-L1071 WeakPolarHBondContact O-CG 3.49Å; L1067-L1071 PolarHBondContact O-N 3.02Å
1068H80.9Confident72.1Confident99 Ų9969.9 Ų69.946%0.45840%0.398SS..Hα-helixtrans-61.2-41.6175.1-80.7-62.8000112.6T1062 D1064 L1071 S1072T1062-H1068 PolarHBondContact O-NE2 2.78Å; D1064-H1068 PolarHBondContact O-CD2 3.21Å; D1064-H1068 PolarHBondContact O-N 2.9Å; H1068-L1071 PolarHBondContact O-N 3.31Å; H1068-S1072 WeakPolarHBondContact O-CB 3.13Å; H1068-S1072 PolarHBondContact O-N 2.85Å; H1068-S1072 PolarHBondContact O-OG 3.49Å
1069F85.8Confident72.7Confident95 Ų9570.4 Ų70.442%0.41740%0.399SS..Hα-helixtrans-59.8-46.9174.5176-109.7000111.8L1037 V1065 L1067 S1072 L1073L1037-F1069 HydrophobicContact CD1-CE1 4.5Å; V1065-F1069 VanDerWaalsContact O-CB 3.29Å; V1065-F1069 WeakPolarHBondContact O-CB 3.1Å; V1065-F1069 PolarHBondContact O-N 3.02Å; L1067-F1069 VanDerWaalsContact C-N 3.34Å; L1067-F1069 PolarHBondContact O-N 3.03Å; F1069-S1072 PolarHBondContact O-N 3.36Å; F1069-L1073 HydrophobicContact CD1-CD1 3.9Å; F1069-L1073 HydrophobicContact CE1-CD1 3.36Å; F1069-L1073 HydrophobicContact CE1-CG 4.27Å; F1069-L1073 HydrophobicContact CE2-CD1 4.13Å; F1069-L1073 HydrophobicContact CE2-CD2 4.45Å; F1069-L1073 HydrophobicContact CE2-CG 4.23Å; F1069-L1073 HydrophobicContact CZ-CD1 3.5Å; F1069-L1073 VanDerWaalsContact CZ-CD1 3.5Å; F1069-L1073 HydrophobicContact CZ-CD2 4.35Å; F1069-L1073 HydrophobicContact CZ-CG 4.08Å; F1069-L1073 WeakPolarHBondContact O-CG 3.18Å; F1069-L1073 PolarHBondContact O-N 3.31Å
1070L86.8Confident73.4Confident0 Ų067 Ų670%039%0.393CS..Hα-helixtrans-68.5-37.3178.8-70.1175.1000113L972 L974 L1037 I1047 V1049 L1066 L1067 S1072 L1073 C1074L972-L1070 HydrophobicContact CD2-CD2 4.04Å; L974-L1070 HydrophobicContact CD1-CD1 4.07Å; L974-L1070 HydrophobicContact CD1-CD2 4.02Å; L1037-L1070 HydrophobicContact CD1-CD2 4.09Å; L1037-L1070 HydrophobicContact CD2-CD2 4.13Å; I1047-L1070 HydrophobicContact CD1-CD1 3.63Å; I1047-L1070 HydrophobicContact CG1-CD1 4.11Å; I1047-L1070 HydrophobicContact CG2-CD1 3.94Å; V1049-L1070 HydrophobicContact CG2-CB 3.96Å; V1049-L1070 HydrophobicContact CG2-CD1 3.84Å; L1066-L1070 HydrophobicContact CG-CD1 4.47Å; L1066-L1070 VanDerWaalsContact O-CG 3.3Å; L1066-L1070 WeakPolarHBondContact O-CG 3.25Å; L1066-L1070 PolarHBondContact O-N 2.71Å; L1067-L1070 PolarHBondContact O-N 3.38Å; L1070-S1072 VanDerWaalsContact C-N 3.31Å; L1070-L1073 HydrophobicContact CD2-CD1 4.34Å; L1070-L1073 PolarHBondContact O-N 3.03Å; L1070-C1074 WeakPolarHBondContact O-CB 3.37Å; L1070-C1074 PolarHBondContact O-N 3.42Å; L1070-C1074 PolarHBondContact O-SG 2.67Å; L1070-C1074 VanDerWaalsContact O-SG 3.32Å
1071L83.1Confident74.4Confident48 Ų4869.3 Ų69.325%0.25140%0.395SS..Hα-helixtrans-62.8-40.1173.5-75.9167.9000111.4V1049 P1051 L1067 H1068 C1074 S1075V1049-L1071 HydrophobicContact CG1-CD2 3.43Å; V1049-L1071 VanDerWaalsContact CG1-CD2 3.43Å; V1049-L1071 HydrophobicContact CG1-CG 3.84Å; P1051-L1071 HydrophobicContact CB-CD2 4.42Å; L1067-L1071 HydrophobicContact CD1-CD1 4.2Å; L1067-L1071 HydrophobicContact CD1-CG 4.27Å; L1067-L1071 HydrophobicContact CG-CD1 4.03Å; L1067-L1071 WeakPolarHBondContact O-CB 3.43Å; L1067-L1071 WeakPolarHBondContact O-CG 3.49Å; L1067-L1071 PolarHBondContact O-N 3.02Å; H1068-L1071 PolarHBondContact O-N 3.31Å; L1071-C1074 PolarHBondContact O-N 3.44Å; L1071-S1075 PolarHBondContact O-N 2.86Å; L1071-S1075 PolarHBondContact O-OG 2.84Å
1072S82.6Confident75.7Confident84 Ų8466.5 Ų66.559%0.58738%0.377SS*.Hα-helixtrans-65.4-44.5176-55.90000111.2H1068 F1069 L1070 C1074 S1075 G1076H1068-S1072 WeakPolarHBondContact O-CB 3.13Å; H1068-S1072 PolarHBondContact O-N 2.85Å; H1068-S1072 PolarHBondContact O-OG 3.49Å; F1069-S1072 PolarHBondContact O-N 3.36Å; L1070-S1072 VanDerWaalsContact C-N 3.31Å; S1072-C1074 PolarHBondContact O-N 2.88Å; S1072-S1075 CarbonylContact O-C 3.53Å; S1072-S1075 PolarHBondContact O-N 2.89Å; S1072-G1076 PolarHBondContact O-N 3.48Å; S1072-G1076 VanDerWaalsContact O-N 3.13Å
1073L84.1Confident77.2Confident42 Ų4261 Ų6122%0.2234%0.344CS..Hα-helixtrans-62.8-41.3175.4-73.2176.3000112.7L1027 L1029 F1069 L1070 S1075 G1076L1027-L1073 HydrophobicContact CD2-CB 4.2Å; L1029-L1073 HydrophobicContact CD1-CD1 4.22Å; L1029-L1073 HydrophobicContact CD2-CD1 4.11Å; L1029-L1073 HydrophobicContact CD2-CD2 4.26Å; F1069-L1073 HydrophobicContact CD1-CD1 3.9Å; F1069-L1073 HydrophobicContact CE1-CD1 3.36Å; F1069-L1073 HydrophobicContact CE1-CG 4.27Å; F1069-L1073 HydrophobicContact CE2-CD1 4.13Å; F1069-L1073 HydrophobicContact CE2-CD2 4.45Å; F1069-L1073 HydrophobicContact CE2-CG 4.23Å; F1069-L1073 HydrophobicContact CZ-CD1 3.5Å; F1069-L1073 VanDerWaalsContact CZ-CD1 3.5Å; F1069-L1073 HydrophobicContact CZ-CD2 4.35Å; F1069-L1073 HydrophobicContact CZ-CG 4.08Å; F1069-L1073 WeakPolarHBondContact O-CG 3.18Å; F1069-L1073 PolarHBondContact O-N 3.31Å; L1070-L1073 HydrophobicContact CD2-CD1 4.34Å; L1070-L1073 PolarHBondContact O-N 3.03Å; L1073-S1075 PolarHBondContact O-N 3.3Å; L1073-G1076 PolarHBondContact O-N 2.88Å
1074C82.3Confident78.7Confident5 Ų555 Ų553%0.03432%0.317CS..THydrogen-bonded Turntrans-72.52.6174.7-70.40000114.1V969 P1051 L1070 L1071 S1072 I1079V969-C1074 HydrophobicContact CB-CB 4.16Å; V969-C1074 HydrophobicContact CG1-CB 4.44Å; V969-C1074 HydrophobicContact CG2-CB 4.08Å; P1051-C1074 HydrophobicContact CB-CB 3.98Å; P1051-C1074 HydrophobicContact CG-CB 3.41Å; P1051-C1074 VanDerWaalsContact CG-CB 3.41Å; L1070-C1074 WeakPolarHBondContact O-CB 3.37Å; L1070-C1074 PolarHBondContact O-N 3.42Å; L1070-C1074 PolarHBondContact O-SG 2.67Å; L1070-C1074 VanDerWaalsContact O-SG 3.32Å; L1071-C1074 PolarHBondContact O-N 3.44Å; S1072-C1074 PolarHBondContact O-N 2.88Å; C1074-I1079 WeakPolarHBondContact O-CD1 3.32Å
1075S76.3Confident79.3Confident90 Ų9053 Ų5363%0.62931%0.306SS*.THydrogen-bonded Turntrans-123.17173.4-47.70000112.1L1071 S1072 L1073L1071-S1075 PolarHBondContact O-N 2.86Å; L1071-S1075 PolarHBondContact O-OG 2.84Å; S1072-S1075 CarbonylContact O-C 3.53Å; S1072-S1075 PolarHBondContact O-N 2.89Å; L1073-S1075 PolarHBondContact O-N 3.3Å
1076G69.9Low79.7Confident25 Ų2548.3 Ų48.326%0.25828%0.277SS..SBendtrans-88-175-173.900000114.7S1072 L1073 V1078 I1079S1072-G1076 PolarHBondContact O-N 3.48Å; S1072-G1076 VanDerWaalsContact O-N 3.13Å; L1073-G1076 PolarHBondContact O-N 2.88Å; G1076-V1078 PolarHBondContact O-N 2.84Å; G1076-I1079 PolarHBondContact O-N 2.9Å; G1076-I1079 VanDerWaalsContact O-N 3.08Å
1077D63.7Low79.8Confident148 Ų14846.9 Ų46.979%0.79127%0.27SS*.THydrogen-bonded Turntrans-62.9-12.8-163.7-56.4-30.4000116.6I1079 Q1081D1077-I1079 PolarHBondContact O-N 2.86Å; D1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; D1077-Q1081 PolarHBondContact O-NE2 2.88Å
1078V63.1Low79.7Confident22 Ų2250.7 Ų50.713%0.13328%0.284CS..THydrogen-bonded Turntrans-73-20.2176.2-172.70000111.2L966 V1026 G1076 Q1081 L1128L966-V1078 HydrophobicContact CD1-CG1 4.44Å; V1026-V1078 WeakPolarHBondContact O-CB 3.42Å; V1026-V1078 VanDerWaalsContact O-CG1 3.31Å; V1026-V1078 WeakPolarHBondContact O-CG1 3.37Å; G1076-V1078 PolarHBondContact O-N 2.84Å; V1078-Q1081 PolarHBondContact O-N 2.96Å; V1078-L1128 HydrophobicContact CG1-CD2 4.35Å
1079I69.4Low79.6Confident51 Ų5148.5 Ų48.526%0.26227%0.273SS..THydrogen-bonded Turntrans-81.2122.5174.9-64.3173.4000108.5V967 V969 C1074 G1076 D1077V967-I1079 WeakPolarHBondContact O-CG2 3.39Å; V969-I1079 HydrophobicContact CG2-CD1 4.13Å; C1074-I1079 WeakPolarHBondContact O-CD1 3.32Å; G1076-I1079 PolarHBondContact O-N 2.9Å; G1076-I1079 VanDerWaalsContact O-N 3.08Å; D1077-I1079 PolarHBondContact O-N 2.86Å
1080G67.8Low78.9Confident51 Ų5147.5 Ų47.553%0.52627%0.266SS..THydrogen-bonded Turntrans98.8-10-171.400000114.3H965 L966H965-G1080 PolarHBondContact CD2-O 3.07Å; L966-G1080 PolarHBondContact O-N 3.45Å
1081Q76.4Confident77.5Confident80 Ų8052.4 Ų52.437%0.37430%0.297SS..  trans-74.7148174.7-72.3-176.61.800112.3H965 L966 D1077 V1078H965-Q1081 WeakPolarHBondContact CA-O 3.48Å; L966-Q1081 PolarHBondContact N-O 3.12Å; D1077-Q1081 WeakPolarHBondContact O-CG 3.4Å; D1077-Q1081 PolarHBondContact O-NE2 2.88Å; V1078-Q1081 PolarHBondContact O-N 2.96Å
1082Q84Confident75.8Confident75 Ų7555 Ų5535%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-77.7125.4173.7-163.2170.241.800109.8K963 G964K963-Q1082 HydrophobicContact CG-CG 4.31Å; G964-Q1082 CarbonylContact O-C 3.55Å; G964-Q1082 WeakPolarHBondContact O-CA 3.34Å
1083V88.1Confident74.2Confident0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-131151.8-178.7-550000110.7G964 L966 F1007 L1085 L1128G964-V1083 PolarHBondContact N-O 2.58Å; G964-V1083 VanDerWaalsContact N-O 3.11Å; G964-V1083 PolarHBondContact O-N 3.36Å; L966-V1083 HydrophobicContact CD1-CG1 4.16Å; L966-V1083 HydrophobicContact CD1-CG2 4.24Å; L966-V1083 HydrophobicContact CD2-CG2 4.25Å; L966-V1083 HydrophobicContact CG-CG1 4.42Å; L966-V1083 HydrophobicContact CG-CG2 3.83Å; F1007-V1083 HydrophobicContact CD2-CG2 4.09Å; F1007-V1083 HydrophobicContact CE2-CG2 3.52Å; V1083-L1085 HydrophobicContact CG2-CD1 4.48Å; V1083-L1085 HydrophobicContact CG2-CD2 3.94Å; V1083-L1085 HydrophobicContact CG2-CG 4Å; V1083-L1128 HydrophobicContact CG1-CD2 3.56Å
1084I88.6Confident72.3Confident35 Ų3556.8 Ų56.818%0.17932%0.317CS..EExtended strand (participates in β ladder)trans-106.1120.6173.1-58.2173.3000107.5Q961 K963 E1127Q961-I1084 HydrophobicContact CG-CG2 3.53Å; K963-I1084 HydrophobicContact CB-CG1 4.41Å; K963-I1084 HydrophobicContact CD-CG1 4.35Å; K963-I1084 HydrophobicContact CG-CG1 4.05Å; I1084-E1127 HydrophobicContact CB-CB 4.41Å; I1084-E1127 PolarHBondContact N-O 3.42Å; I1084-E1127 PolarHBondContact O-N 2.73Å
1085L88.2Confident70.6Confident1 Ų163.3 Ų63.31%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-112.7125.8-179.9-55.6-179.3000110.1Q961 V962 F1007 V1016 V1083 L1126Q961-L1085 CarbonylContact C-O 3.5Å; Q961-L1085 WeakPolarHBondContact CA-O 3.5Å; V962-L1085 HydrophobicContact CG2-CB 3.92Å; V962-L1085 PolarHBondContact N-O 2.67Å; V962-L1085 PolarHBondContact O-N 2.89Å; F1007-L1085 HydrophobicContact CB-CD1 4.33Å; F1007-L1085 HydrophobicContact CD1-CD1 4.03Å; F1007-L1085 HydrophobicContact CD2-CD1 3.49Å; F1007-L1085 VanDerWaalsContact CD2-CD1 3.49Å; F1007-L1085 HydrophobicContact CD2-CG 4.31Å; F1007-L1085 HydrophobicContact CE1-CD1 4.16Å; F1007-L1085 HydrophobicContact CE2-CD1 3.61Å; F1007-L1085 HydrophobicContact CE2-CG 3.94Å; F1007-L1085 HydrophobicContact CG-CD1 3.69Å; F1007-L1085 HydrophobicContact CZ-CD1 3.91Å; F1007-L1085 HydrophobicContact CZ-CG 4.11Å; V1016-L1085 HydrophobicContact CG1-CD1 4.32Å; V1016-L1085 HydrophobicContact CG2-CD1 4.01Å; V1083-L1085 HydrophobicContact CG2-CD1 4.48Å; V1083-L1085 HydrophobicContact CG2-CD2 3.94Å; V1083-L1085 HydrophobicContact CG2-CG 4Å; L1085-L1126 HydrophobicContact CD2-CB 3.95Å; L1085-L1126 HydrophobicContact CD2-CD1 3.49Å; L1085-L1126 VanDerWaalsContact CD2-CD1 3.49Å; L1085-L1126 HydrophobicContact CD2-CG 3.54Å
1086T87.6Confident69Low22 Ų2263 Ų6314%0.13536%0.362CS..EExtended strand (participates in β ladder)trans-91.3120.6160.5-50.50000107.2A944 E959 S1124 H1125A944-T1086 HydrophobicContact CB-CG2 3.96Å; E959-T1086 HydrophobicContact CG-CG2 4.26Å; T1086-S1124 WeakPolarHBondContact CG2-OG 3.39Å; T1086-S1124 PolarHBondContact O-N 3.29Å; T1086-S1124 PolarHBondContact O-OG 3.06Å; T1086-S1124 VanDerWaalsContact O-OG 3.05Å; T1086-H1125 PolarHBondContact N-O 2.96Å; T1086-H1125 PolarHBondContact O-N 3.1Å
1087C84.8Confident68.1Low0 Ų063.7 Ų63.70%037%0.37CS..EExtended strand (participates in β ladder)trans-135.7151.9-168-79.30000111.4W952 E959 A960 L1121 T1122W952-C1087 HydrophobicContact CH2-CB 3.55Å; W952-C1087 WeakPolarHBondContact CH2-O 3.15Å; W952-C1087 WeakPolarHBondContact CZ2-O 3.28Å; W952-C1087 HydrophobicContact CZ3-CB 3.92Å; E959-C1087 VanDerWaalsContact CA-O 3.28Å; E959-C1087 WeakPolarHBondContact CA-O 3.36Å; E959-C1087 WeakPolarHBondContact CG-O 3.45Å; A960-C1087 PolarHBondContact N-O 2.87Å; A960-C1087 PolarHBondContact O-N 2.8Å; C1087-L1121 HydrophobicContact CB-CB 4.15Å; C1087-L1121 HydrophobicContact CB-CD1 4.21Å; C1087-T1122 CarbonylContact C-O 3.5Å; C1087-T1122 WeakPolarHBondContact CA-O 3.31Å
1088R80.5Confident67.5Low92 Ų9267.6 Ų67.635%0.34737%0.373SS..EExtended strand (participates in β ladder)trans-112.4132.4171.6-167.3176.2179.4166.95.6111S881 V958 L1121 T1122S881-R1088 PolarHBondContact OG-NH2 2.86Å; V958-R1088 HydrophobicContact CG1-CG 3.83Å; V958-R1088 CarbonylContact O-C 3.57Å; V958-R1088 WeakPolarHBondContact O-CA 3.48Å; V958-R1088 WeakPolarHBondContact O-CG 3.38Å; R1088-L1121 CarbonylContact O-C 3.59Å; R1088-L1121 WeakPolarHBondContact O-CA 3.36Å; R1088-T1122 PolarHBondContact N-O 2.91Å; R1088-T1122 PolarHBondContact O-N 2.95Å
1089K79.9Confident67.4Low53 Ų5370.6 Ų70.623%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-70.6129.3176.4-169.7171.8-179.4171.30110.1W952 A953 S955 V958 T1091 L1119 L1121W952-K1089 HydrophobicContact CZ2-CB 4.05Å; W952-K1089 PolarHBondContact O-NZ 3.49Å; A953-K1089 PolarHBondContact O-NZ 3.43Å; S955-K1089 PolarHBondContact O-NZ 2.78Å; S955-K1089 VanDerWaalsContact O-NZ 3.11Å; V958-K1089 PolarHBondContact O-N 3.13Å; K1089-T1091 PolarHBondContact O-N 2.92Å; K1089-L1119 HydrophobicContact CD-CD2 4.04Å; K1089-L1119 HydrophobicContact CG-CD2 4.15Å; K1089-L1121 HydrophobicContact CB-CD2 4.34Å
1090R71Confident67.2Low73 Ų7371.1 Ų71.128%0.27539%0.39SS..  trans-77.5115.4176.6-66.8-176.974.8172.53.9109.8N1092 Q1120R1090-N1092 PolarHBondContact O-N 3.01Å; R1090-N1092 VanDerWaalsContact O-N 3.15Å; R1090-Q1120 HydrophobicContact CB-CB 4.28Å; R1090-Q1120 WeakPolarHBondContact CB-O 3.25Å; R1090-Q1120 PolarHBondContact N-O 2.66Å
1091T56.1Low67.6Low104 Ų10472.8 Ų72.864%0.63839%0.39SS*.SBendtrans-71.3-2.3-171.144.70000116K1089 Q1093K1089-T1091 PolarHBondContact O-N 2.92Å; T1091-Q1093 PolarHBondContact O-N 2.79Å
1092N48.3Very low67.5Low102 Ų10274 Ų7455%0.54539%0.391SS..  trans-80.224.6-176.1-72.710.7000114.7S915 R1090S915-N1092 PolarHBondContact O-OD1 3.44Å; R1090-N1092 PolarHBondContact O-N 3.01Å; R1090-N1092 VanDerWaalsContact O-N 3.15Å
1093Q47.8Very low67.3Low85 Ų8578.6 Ų78.640%0.39741%0.405SS..SBendtrans-122.9115.8174.6-63.1-166.933.700109.8T1091 Q1120T1091-Q1093 PolarHBondContact O-N 2.79Å; Q1093-Q1120 VanDerWaalsContact NE2-CG 3.28Å
1094S45.4Very low66.7Low78 Ų7882.6 Ų82.655%0.54542%0.422SS..  trans-48.7134.6163.8172.10000108.9A1096 G1097S1094-A1096 PolarHBondContact O-N 2.95Å; S1094-A1096 PolarHBondContact OG-N 3.44Å; S1094-A1096 VanDerWaalsContact OG-N 3.11Å; S1094-G1097 PolarHBondContact O-N 3.23Å
1095P45.3Very low66.2Low142 Ų14285 Ų8592%0.92244%0.442SS*.SBendtrans-59.5-14.3171.523.1-31000112.4G1097P1095-G1097 VanDerWaalsContact C-N 3.34Å; P1095-G1097 PolarHBondContact O-N 3.36Å
1096A44.4Very low65.7Low84 Ų8495 Ų9569%0.69448%0.48SS*.  trans-93.153.5171.400000112.1S1094 R1098S1094-A1096 PolarHBondContact O-N 2.95Å; S1094-A1096 PolarHBondContact OG-N 3.44Å; S1094-A1096 VanDerWaalsContact OG-N 3.11Å; A1096-R1098 PolarHBondContact O-N 3.11Å
1097G49.7Very low65.4Low40 Ų4097.3 Ų97.341%0.41251%0.509SS..  trans-74.1103.5172.700000111S1094 P1095 N1099S1094-G1097 PolarHBondContact O-N 3.23Å; P1095-G1097 VanDerWaalsContact C-N 3.34Å; P1095-G1097 PolarHBondContact O-N 3.36Å; G1097-N1099 PolarHBondContact O-N 3.31Å
1098R51.8Low65.2Low230 Ų230105.5 Ų105.587%0.86855%0.552SS**  trans-38.8120.4173.2-138.3177-170-176.92.6111.2A1096 E1100A1096-R1098 PolarHBondContact O-N 3.11Å; R1098-E1100 PolarHBondContact O-N 3.05Å; R1098-E1100 VanDerWaalsContact O-N 3.14Å
1099N60.6Low65.2Low85 Ų85109.9 Ų109.946%0.45557%0.569SS.*PPolyproline II helixtrans-53.6117.5174.3-74.5-26.9000110G1097 R1114G1097-N1099 PolarHBondContact O-N 3.31Å; N1099-R1114 HydrophobicContact CB-CB 4.2Å; N1099-R1114 HydrophobicContact CB-CG 4.38Å
1100E65.4Low65.5Low61 Ų61110.9 Ų110.929%0.28558%0.577SS.*EExtended strand (participates in β ladder)trans-83.5125.5173.5-80.1178.5-166.900108.9R1098 R1102 R1115 R1117R1098-E1100 PolarHBondContact O-N 3.05Å; R1098-E1100 VanDerWaalsContact O-N 3.14Å; E1100-R1102 PolarHBondContact O-N 3.16Å; E1100-R1102 IonicContact OE2-NE 3.24Å; E1100-R1102 IonicContact OE2-NH2 2.98Å; E1100-R1115 PolarHBondContact N-O 3.16Å; E1100-R1115 PolarHBondContact O-N 2.81Å; E1100-R1117 IonicContact OE1-CZ 3.18Å; E1100-R1117 IonicContact OE1-NE 2.82Å; E1100-R1117 PolarHBondContact OE1-NE 3.39Å; E1100-R1117 IonicContact OE1-NH2 2.66Å; E1100-R1117 PolarHBondContact OE1-NH2 3.13Å
1101V75.4Confident66.1Low86 Ų86112.2 Ų112.252%0.52159%0.585SS.*EExtended strand (participates in β ladder)trans-77.9116.9169.1-178.90000107.4L1112 T1113 R1114V1101-L1112 HydrophobicContact CG1-CB 3.86Å; V1101-L1112 HydrophobicContact CG1-CD2 4.06Å; V1101-L1112 HydrophobicContact CG1-CG 4.4Å; V1101-T1113 WeakPolarHBondContact CA-O 3.5Å; V1101-R1114 HydrophobicContact CG2-CG 3.97Å
1102R73.8Confident67.4Low107 Ų107113.4 Ų113.440%0.40459%0.587SS.*EExtended strand (participates in β ladder)trans-114.3143.1174.9-75.8-167.2-179.4-163.70.3111E1100 F1104 L1112 T1113E1100-R1102 PolarHBondContact O-N 3.16Å; E1100-R1102 IonicContact OE2-NE 3.24Å; E1100-R1102 IonicContact OE2-NH2 2.98Å; R1102-F1104 HydrophobicContact CB-CD2 4.34Å; R1102-F1104 HydrophobicContact CB-CE2 3.68Å; R1102-F1104 HydrophobicContact CB-CZ 4.2Å; R1102-F1104 WeakPolarHBondContact O-CD2 3.03Å; R1102-L1112 WeakPolarHBondContact O-CA 3.35Å; R1102-T1113 PolarHBondContact N-O 2.8Å; R1102-T1113 PolarHBondContact O-N 2.79Å
1103R79.8Confident68.9Low171 Ų171111.6 Ų111.665%0.64558%0.579SS**EExtended strand (participates in β ladder)trans-82.3127.3170.7-173.9175.9174.4167.4-0.4109.4D1110 F1111 L1112R1103-D1110 HydrophobicContact CG-CB 4.1Å; R1103-D1110 IonicContact CZ-OD1 3.75Å; R1103-D1110 IonicContact CZ-OD2 3.31Å; R1103-D1110 VanDerWaalsContact CZ-OD2 3.31Å; R1103-D1110 IonicContact NE-OD1 2.95Å; R1103-D1110 PolarHBondContact NE-OD1 3.09Å; R1103-D1110 IonicContact NE-OD2 3.28Å; R1103-D1110 PolarHBondContact NE-OD2 2.93Å; R1103-D1110 VanDerWaalsContact NH2-CG 3.29Å; R1103-D1110 IonicContact NH2-OD1 3.71Å; R1103-D1110 IonicContact NH2-OD2 2.61Å; R1103-D1110 PolarHBondContact NH2-OD2 2.95Å; R1103-F1111 CarbonylContact C-O 3.57Å; R1103-F1111 WeakPolarHBondContact CA-O 3.37Å; R1103-L1112 HydrophobicContact CB-CD2 3.84Å; R1103-L1112 HydrophobicContact CG-CD2 4.38Å
1104F76.8Confident70.3Confident83 Ų83116.7 Ų116.736%0.36460%0.595SS.*EExtended strand (participates in β ladder)trans-119.4128.1173.5-68.8-89.9000108.4R1102 D1110 F1111 T1113R1102-F1104 HydrophobicContact CB-CD2 4.34Å; R1102-F1104 HydrophobicContact CB-CE2 3.68Å; R1102-F1104 HydrophobicContact CB-CZ 4.2Å; R1102-F1104 WeakPolarHBondContact O-CD2 3.03Å; F1104-D1110 CarbonylContact O-C 3.59Å; F1104-D1110 WeakPolarHBondContact O-CA 3.4Å; F1104-F1111 PolarHBondContact N-O 2.94Å; F1104-F1111 PolarHBondContact O-N 3.46Å; F1104-T1113 WeakPolarHBondContact CD2-OG1 3.43Å; F1104-T1113 WeakPolarHBondContact CE2-OG1 3.22Å
1105S77.3Confident71.4Confident85 Ų85116.3 Ų116.359%0.59458%0.581SS**EExtended strand (participates in β ladder)trans-101.4125.7175.3-43.20000108R1109 D1110S1105-R1109 WeakPolarHBondContact CA-O 3.36Å; S1105-D1110 WeakPolarHBondContact CB-OD1 3.48Å; S1105-D1110 PolarHBondContact OG-OD1 2.72Å
1106R78Confident72.5Confident211 Ų211115.7 Ų115.780%0.79657%0.57SS**EExtended strand (participates in β ladder)trans-124.8107.4171.2-175.7-178.9176.8-175.9-0.6107.7R1109 F1111R1106-R1109 PolarHBondContact N-O 2.82Å; R1106-R1109 PolarHBondContact O-N 3.38Å; R1106-F1111 HydrophobicContact CB-CE2 4.12Å
1107G80.8Confident73.8Confident72 Ų72118.3 Ų118.374%0.74256%0.561SS**THydrogen-bonded Turntrans61.2-131.8-164.400000110.1R1109G1107-R1109 VanDerWaalsContact C-N 3.34Å; G1107-R1109 PolarHBondContact O-N 3.18Å
1108D81.1Confident75.1Confident172 Ų172117 Ų11792%0.9255%0.546SS*.THydrogen-bonded Turntrans-89.46.8-178.3-56.1-29.5000114.1
1109R81.2Confident76.6Confident184 Ų184107 Ų10769%0.69451%0.509SS*.EExtended strand (participates in β ladder)trans-111.6135.5-177-66.5-172.8-179-173.61.2111.9S1105 R1106 G1107 F1111S1105-R1109 WeakPolarHBondContact CA-O 3.36Å; R1106-R1109 PolarHBondContact N-O 2.82Å; R1106-R1109 PolarHBondContact O-N 3.38Å; G1107-R1109 VanDerWaalsContact C-N 3.34Å; G1107-R1109 PolarHBondContact O-N 3.18Å; R1109-F1111 HydrophobicContact CB-CE2 3.8Å; R1109-F1111 HydrophobicContact CB-CZ 3.93Å
1110D84.9Confident77.8Confident73 Ų73104.3 Ų104.339%0.3949%0.494SS..EExtended strand (participates in β ladder)trans-103.8131.6176.2-69.5-67.8000112.1R1103 F1104 S1105R1103-D1110 HydrophobicContact CG-CB 4.1Å; R1103-D1110 IonicContact CZ-OD1 3.75Å; R1103-D1110 IonicContact CZ-OD2 3.31Å; R1103-D1110 VanDerWaalsContact CZ-OD2 3.31Å; R1103-D1110 IonicContact NE-OD1 2.95Å; R1103-D1110 PolarHBondContact NE-OD1 3.09Å; R1103-D1110 IonicContact NE-OD2 3.28Å; R1103-D1110 PolarHBondContact NE-OD2 2.93Å; R1103-D1110 VanDerWaalsContact NH2-CG 3.29Å; R1103-D1110 IonicContact NH2-OD1 3.71Å; R1103-D1110 IonicContact NH2-OD2 2.61Å; R1103-D1110 PolarHBondContact NH2-OD2 2.95Å; F1104-D1110 CarbonylContact O-C 3.59Å; F1104-D1110 WeakPolarHBondContact O-CA 3.4Å; S1105-D1110 WeakPolarHBondContact CB-OD1 3.48Å; S1105-D1110 PolarHBondContact OG-OD1 2.72Å
1111F84.6Confident78.9Confident102 Ų102101.4 Ų101.445%0.44748%0.481SS..EExtended strand (participates in β ladder)trans-118.4135178.8-57.1-87.4000109.4R1103 F1104 R1106 R1109R1103-F1111 CarbonylContact C-O 3.57Å; R1103-F1111 WeakPolarHBondContact CA-O 3.37Å; F1104-F1111 PolarHBondContact N-O 2.94Å; F1104-F1111 PolarHBondContact O-N 3.46Å; R1106-F1111 HydrophobicContact CB-CE2 4.12Å; R1109-F1111 HydrophobicContact CB-CE2 3.8Å; R1109-F1111 HydrophobicContact CB-CZ 3.93Å
1112L82.9Confident79.4Confident129 Ų12998 Ų9868%0.67546%0.46SS*.EExtended strand (participates in β ladder)trans-99.7118.2170-67.2173.2000108.4V1101 R1102 R1103V1101-L1112 HydrophobicContact CG1-CB 3.86Å; V1101-L1112 HydrophobicContact CG1-CD2 4.06Å; V1101-L1112 HydrophobicContact CG1-CG 4.4Å; R1102-L1112 WeakPolarHBondContact O-CA 3.35Å; R1103-L1112 HydrophobicContact CB-CD2 3.84Å; R1103-L1112 HydrophobicContact CG-CD2 4.38Å
1113T80.9Confident79.9Confident63 Ų6393 Ų9339%0.38744%0.441SS..EExtended strand (participates in β ladder)trans-125.8145.6177.864.20000110.4V1101 R1102 F1104 R1115V1101-T1113 WeakPolarHBondContact CA-O 3.5Å; R1102-T1113 PolarHBondContact N-O 2.8Å; R1102-T1113 PolarHBondContact O-N 2.79Å; F1104-T1113 WeakPolarHBondContact CD2-OG1 3.43Å; F1104-T1113 WeakPolarHBondContact CE2-OG1 3.22Å; T1113-R1115 PolarHBondContact O-N 3.46Å
1114R75.8Confident79.8Confident193 Ų19386.5 Ų86.573%0.72842%0.422SS*.EExtended strand (participates in β ladder)trans-80.2113.6171.7-73.5177.8178-177.20.1107.6N1099 V1101N1099-R1114 HydrophobicContact CB-CB 4.2Å; N1099-R1114 HydrophobicContact CB-CG 4.38Å; V1101-R1114 HydrophobicContact CG2-CG 3.97Å
1115R69.4Low80Confident69 Ų6987.4 Ų87.426%0.2643%0.427SS..EExtended strand (participates in β ladder)trans-107.4137.1179-154.5-163.1-178.5179.6-1.6110.1E1013 E1100 T1113E1013-R1115 IonicContact OE2-CZ 3.48Å; E1013-R1115 IonicContact OE2-NH1 3.76Å; E1013-R1115 PolarHBondContact OE2-NH1 3.28Å; E1013-R1115 IonicContact OE2-NH2 3.58Å; E1013-R1115 PolarHBondContact OE2-NH2 3.22Å; E1100-R1115 PolarHBondContact N-O 3.16Å; E1100-R1115 PolarHBondContact O-N 2.81Å; T1113-R1115 PolarHBondContact O-N 3.46Å
1116L67.5Low80.3Confident130 Ų13084.1 Ų84.168%0.68140%0.403SS*.PPolyproline II helixtrans-67.2142.8160.9-68.4170.2000108.8
1117R71.8Confident80.5Confident138 Ų13879 Ų7952%0.52139%0.388SS..PPolyproline II helixtrans-64.7135.5175.8-75-176.1173.5174.10.5109.4E1100E1100-R1117 IonicContact OE1-CZ 3.18Å; E1100-R1117 IonicContact OE1-NE 2.82Å; E1100-R1117 PolarHBondContact OE1-NE 3.39Å; E1100-R1117 IonicContact OE1-NH2 2.66Å; E1100-R1117 PolarHBondContact OE1-NH2 3.13Å
1118P77.6Confident80.4Confident12 Ų1278.5 Ų78.58%0.07837%0.368CS..PPolyproline II helixtrans-56.9140.2175.5-2533.8000111.6Q1120P1118-Q1120 PolarHBondContact O-N 3.06Å; P1118-Q1120 PolarHBondContact O-NE2 3.28Å
1119L83.1Confident79.8Confident21 Ų2174.5 Ų74.511%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-51.3130.7174.4-90.4158.4000110L949 A953 A1014 H1015 K1089 L1121L949-L1119 HydrophobicContact CB-CD1 4.49Å; L949-L1119 HydrophobicContact CD2-CD1 4.41Å; L949-L1119 VanDerWaalsContact O-CD1 3.28Å; L949-L1119 WeakPolarHBondContact O-CD1 3.5Å; A953-L1119 HydrophobicContact CB-CD1 3.82Å; A953-L1119 HydrophobicContact CB-CG 4.2Å; A1014-L1119 CarbonylContact C-O 3.58Å; A1014-L1119 WeakPolarHBondContact CA-O 3.38Å; A1014-L1119 HydrophobicContact CB-CB 3.84Å; H1015-L1119 PolarHBondContact N-O 3.09Å; K1089-L1119 HydrophobicContact CD-CD2 4.04Å; K1089-L1119 HydrophobicContact CG-CD2 4.15Å; L1119-L1121 HydrophobicContact CB-CD2 4.3Å; L1119-L1121 HydrophobicContact CB-CG 4.33Å; L1119-L1121 HydrophobicContact CD2-CD2 4.35Å
1120Q85.9Confident78.3Confident29 Ų2968.8 Ų68.814%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-99.5112.6174.1-60.1-60-60.800108.6H1015 R1090 Q1093 P1118H1015-Q1120 PolarHBondContact ND1-NE2 2.61Å; R1090-Q1120 HydrophobicContact CB-CB 4.28Å; R1090-Q1120 WeakPolarHBondContact CB-O 3.25Å; R1090-Q1120 PolarHBondContact N-O 2.66Å; Q1093-Q1120 VanDerWaalsContact NE2-CG 3.28Å; P1118-Q1120 PolarHBondContact O-N 3.06Å; P1118-Q1120 PolarHBondContact O-NE2 3.28Å
1121L87.3Confident76Confident0 Ų073.4 Ų73.40%037%0.367CS..EExtended strand (participates in β ladder)trans-116149.3-174.2-56.8-178.2000110.5L949 W952 A1014 H1015 V1016 W1017 C1087 R1088 K1089 L1119L949-L1121 HydrophobicContact CD2-CD1 3.95Å; W952-L1121 HydrophobicContact CE3-CD1 4.22Å; W952-L1121 HydrophobicContact CE3-CD2 4.19Å; W952-L1121 HydrophobicContact CH2-CD1 4.16Å; W952-L1121 HydrophobicContact CH2-CD2 3.6Å; W952-L1121 HydrophobicContact CH2-CG 4.44Å; W952-L1121 HydrophobicContact CZ2-CD2 4.06Å; W952-L1121 HydrophobicContact CZ3-CD1 3.57Å; W952-L1121 HydrophobicContact CZ3-CD2 3.69Å; W952-L1121 HydrophobicContact CZ3-CG 4.26Å; A1014-L1121 HydrophobicContact CB-CD1 3.66Å; A1014-L1121 HydrophobicContact CB-CG 4.14Å; H1015-L1121 PolarHBondContact O-N 2.79Å; V1016-L1121 CarbonylContact C-O 3.53Å; V1016-L1121 WeakPolarHBondContact CA-O 3.41Å; V1016-L1121 HydrophobicContact CG2-CB 4.23Å; V1016-L1121 HydrophobicContact CG2-CD1 4.35Å; W1017-L1121 PolarHBondContact N-O 3.22Å; C1087-L1121 HydrophobicContact CB-CB 4.15Å; C1087-L1121 HydrophobicContact CB-CD1 4.21Å; R1088-L1121 CarbonylContact O-C 3.59Å; R1088-L1121 WeakPolarHBondContact O-CA 3.36Å; K1089-L1121 HydrophobicContact CB-CD2 4.34Å; L1119-L1121 HydrophobicContact CB-CD2 4.3Å; L1119-L1121 HydrophobicContact CB-CG 4.33Å; L1119-L1121 HydrophobicContact CD2-CD2 4.35Å
1122T86Confident73.4Confident15 Ų1577.6 Ų77.69%0.09241%0.409CS..EExtended strand (participates in β ladder)trans-115.6125.4167.4-55.90000108S844 C1087 R1088S844-T1122 WeakPolarHBondContact O-CG2 3.33Å; C1087-T1122 CarbonylContact C-O 3.5Å; C1087-T1122 WeakPolarHBondContact CA-O 3.31Å; R1088-T1122 PolarHBondContact N-O 2.91Å; R1088-T1122 PolarHBondContact O-N 2.95Å
1123C85.2Confident72.9Confident1 Ų175 Ų751%0.00740%0.395CS..EExtended strand (participates in β ladder)trans-85.7128.1-177.51650000110.8S844 V1016 W1017 L1018 H1125S844-C1123 PolarHBondContact OG-O 3.21Å; V1016-C1123 HydrophobicContact CG1-CB 3.6Å; W1017-C1123 PolarHBondContact O-N 3.14Å; L1018-C1123 HydrophobicContact CD2-CB 3.36Å; L1018-C1123 WeakPolarHBondContact CD2-SG 3.12Å; C1123-H1125 VanDerWaalsContact SG-C 3.5Å; C1123-H1125 PolarHBondContact SG-O 3.07Å
1124S76.9Confident72.5Confident34 Ų3475.6 Ų75.624%0.23840%0.396CS..EExtended strand (participates in β ladder)trans-92.8-42173.249.30000111E959 T1086E959-S1124 PolarHBondContact OE1-OG 3.5Å; T1086-S1124 WeakPolarHBondContact CG2-OG 3.39Å; T1086-S1124 PolarHBondContact O-N 3.29Å; T1086-S1124 PolarHBondContact O-OG 3.06Å; T1086-S1124 VanDerWaalsContact O-OG 3.05Å
1125H81.6Confident72.3Confident103 Ų10369.1 Ų69.148%0.47738%0.377SS..EExtended strand (participates in β ladder)trans-135.4141.2177.9-170-78.1000110.8T1086 C1123T1086-H1125 PolarHBondContact N-O 2.96Å; T1086-H1125 PolarHBondContact O-N 3.1Å; C1123-H1125 VanDerWaalsContact SG-C 3.5Å; C1123-H1125 PolarHBondContact SG-O 3.07Å
1126L83.4Confident72.5Confident16 Ų1669.1 Ų69.18%0.08438%0.384CS..EExtended strand (participates in β ladder)trans-130124.8174.9-176.9151.7000108.6L1018 P1022 T1025 V1026 L1085 L1128L1018-L1126 HydrophobicContact CD2-CD1 4.22Å; P1022-L1126 HydrophobicContact CB-CB 4.33Å; T1025-L1126 HydrophobicContact CG2-CD2 3.53Å; V1026-L1126 HydrophobicContact CG2-CD1 3.39Å; L1085-L1126 HydrophobicContact CD2-CB 3.95Å; L1085-L1126 HydrophobicContact CD2-CD1 3.49Å; L1085-L1126 VanDerWaalsContact CD2-CD1 3.49Å; L1085-L1126 HydrophobicContact CD2-CG 3.54Å; L1126-L1128 HydrophobicContact CD2-CD2 3.96Å; L1126-L1128 HydrophobicContact CD2-CG 4.17Å
1127E83.3Confident72.8Confident102 Ų10265.3 Ų65.348%0.47737%0.366SS..EExtended strand (participates in β ladder)trans-118.9123.2175.4-166.8173.2-178.500108.6I1084I1084-E1127 HydrophobicContact CB-CB 4.41Å; I1084-E1127 PolarHBondContact N-O 3.42Å; I1084-E1127 PolarHBondContact O-N 2.73Å
1128L77.5Confident72.9Confident63 Ų6360.5 Ų60.533%0.3336%0.355SS..EExtended strand (participates in β ladder)trans-77.9125.1169.6-62.9177.3000106.8T1025 V1078 V1083 L1126 G1130T1025-L1128 HydrophobicContact CG2-CD1 3.8Å; T1025-L1128 HydrophobicContact CG2-CG 3.86Å; V1078-L1128 HydrophobicContact CG1-CD2 4.35Å; V1083-L1128 HydrophobicContact CG1-CD2 3.56Å; L1126-L1128 HydrophobicContact CD2-CD2 3.96Å; L1126-L1128 HydrophobicContact CD2-CG 4.17Å; L1128-G1130 PolarHBondContact O-N 3.2Å
1129Q69.1Low72.5Confident88 Ų8863.9 Ų63.941%0.41138%0.375SS..  trans-73.2103.7173.6-164177.1-16.100106.8D1131Q1129-D1131 PolarHBondContact O-N 2.95Å
1130G50.3Low71.7Confident64 Ų6467.2 Ų67.266%0.6640%0.395SS*.  trans-62.2133.5174.100000109.4L1128 S1132L1128-G1130 PolarHBondContact O-N 3.2Å; G1130-S1132 PolarHBondContact O-N 2.99Å; G1130-S1132 VanDerWaalsContact O-N 3.13Å
1131D36.1Very low70.5Confident170 Ų17070.4 Ų70.491%0.90942%0.417SS*.  trans-57.5116.1161.3-75.4-29.1000106.9Q1129Q1129-D1131 PolarHBondContact O-N 2.95Å
1132S29.8Very low69Low189 Ų18976.8 Ų76.8100%1.32246%0.455SS*.  trans-63.30163.556.40000110.3G1130G1130-S1132 PolarHBondContact O-N 2.99Å; G1130-S1132 VanDerWaalsContact O-N 3.13Å

Retrieved 1,132 of 1,132 residues in 580.6 ms (Link to these results)

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