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Protein PTHB1

The BBSome complex is thought to function as a coat complex required for sorting of specific membrane proteins to the primary cilia. The BBSome complex is required for ciliogenesis but is dispensable for centriolar satellite function. This ciliogenic function is mediated in part by the Rab8 GDP/GTP exchange factor, which localizes to the basal body and contacts the BBSome. Rab8(GTP) enters the primary cilium and promotes extension of the ciliary membrane. Firstly the BBSome associates with the ciliary membrane and binds to RAB3IP/Rabin8, the guanosyl exchange factor (GEF) for Rab8 and then the Rab8-GTP localizes to the cilium and promotes docking and fusion of carrier vesicles to the base of the ciliary membrane. Required for proper BBSome complex assembly and its ciliary localization.

AlphaFold DB , UniProt , Accession Q3SYG4, Species HUMAN (Homo sapiens, Human), Gene BBS9, Length 887 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
1M66.7Low88.9Confident188 Ų18858.2 Ų58.293%0.92628%0.284SS*.  0106.20-61.5-170.4-81.700108.5
2S82Confident89.3Confident18 Ų1856.6 Ų56.613%0.12628%0.28CS..  trans-137.8-16.6-171.573.80000117.5F4 K5 G360 D362S2-F4 PolarHBondContact O-N 2.64Å; S2-K5 WeakPolarHBondContact O-CB 3.36Å; S2-K5 PolarHBondContact O-N 3.19Å; S2-G360 CarbonylContact O-C 3.59Å; S2-G360 WeakPolarHBondContact O-CA 3.48Å; S2-D362 PolarHBondContact N-O 2.94Å; S2-D362 WeakPolarHBondContact OG-CB 3.14Å; S2-D362 PolarHBondContact OG-N 2.95Å
3L90.1Very high89.6Confident57 Ų5760.2 Ų60.230%0.29830%0.299SS..THydrogen-bonded Turntrans-52.3132-176.3-168.673000112.6K5 W322 G360 D362 P363L3-K5 PolarHBondContact O-N 3.28Å; L3-W322 HydrophobicContact CD1-CH2 4.07Å; L3-W322 HydrophobicContact CD1-CZ2 4.19Å; L3-G360 WeakPolarHBondContact CA-O 3.47Å; L3-D362 WeakPolarHBondContact CB-O 3.26Å; L3-D362 PolarHBondContact N-O 3.21Å; L3-P363 HydrophobicContact CD2-CB 4.1Å
4F92.3Very high89.8Confident98 Ų9856.1 Ų56.143%0.4328%0.279SS..THydrogen-bonded Turntrans59.927.4-179-50.3-55.8000114.4S2 W322 A323 T324 Q325 G360S2-F4 PolarHBondContact O-N 2.64Å; F4-W322 HydrophobicContact CD1-CZ2 4.03Å; F4-W322 HydrophobicContact CE1-CH2 4.16Å; F4-W322 HydrophobicContact CE1-CZ2 4.08Å; F4-W322 HydrophobicContact CE1-CZ3 4.41Å; F4-A323 VanDerWaalsContact CD1-O 3.3Å; F4-A323 WeakPolarHBondContact CD1-O 3.35Å; F4-T324 CarbonylContact O-C 3.55Å; F4-T324 WeakPolarHBondContact O-CA 3.49Å; F4-Q325 PolarHBondContact O-N 3.38Å; F4-G360 PolarHBondContact N-O 2.84Å; F4-G360 VanDerWaalsContact N-O 3.14Å
5K92.9Very high89.4Confident84 Ų8454.4 Ų54.437%0.36528%0.281SS..BIsolated β-bridgetrans-122.3136.7171.3-57.7-171.3175.6-170.90110.5S2 L3 R7 T324 G360S2-K5 WeakPolarHBondContact O-CB 3.36Å; S2-K5 PolarHBondContact O-N 3.19Å; L3-K5 PolarHBondContact O-N 3.28Å; K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.16Å; K5-T324 WeakPolarHBondContact CA-OG1 3.49Å; K5-T324 PolarHBondContact N-OG1 2.73Å; K5-G360 WeakPolarHBondContact O-CA 3.18Å; K5-G360 PolarHBondContact O-N 2.78Å
6A93Very high89Confident11 Ų1161 Ų619%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-67.2115.716900000106.6T324 Q325 L326A6-T324 HydrophobicContact CB-CG2 4.5Å; A6-T324 PolarHBondContact N-OG1 2.71Å; A6-Q325 WeakPolarHBondContact CB-O 3.2Å; A6-Q325 PolarHBondContact N-O 3.19Å; A6-L326 HydrophobicContact CB-CD2 3.72Å
7R91.9Very high88.8Confident79 Ų7969.3 Ų69.330%0.29835%0.35SS..EExtended strand (participates in β ladder)trans-87.1132.7179-71.3-65.5100.5-172-7.1108K5 S357 Y358K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.16Å; R7-S357 WeakPolarHBondContact O-CA 3.42Å; R7-S357 VanDerWaalsContact O-CB 3.22Å; R7-S357 WeakPolarHBondContact O-CB 3.4Å; R7-Y358 HydrophobicContact CB-CD1 4.3Å; R7-Y358 HydrophobicContact CB-CD2 3.78Å; R7-Y358 HydrophobicContact CB-CE1 3.89Å; R7-Y358 HydrophobicContact CB-CE2 3.32Å; R7-Y358 HydrophobicContact CB-CG 4.24Å; R7-Y358 HydrophobicContact CG-CD2 4.36Å; R7-Y358 HydrophobicContact CG-CE2 3.8Å; R7-Y358 PolarHBondContact N-O 3.21Å; R7-Y358 PolarHBondContact O-N 2.99Å
8D91.5Very high89Confident46 Ų4666.3 Ų66.325%0.24634%0.335CS..EExtended strand (participates in β ladder)trans-68.7133.7-178.9-160.832.7000110.8S11 Q355D8-S11 WeakPolarHBondContact OD1-CB 3.19Å; D8-S11 PolarHBondContact OD1-OG 3.35Å; D8-S11 PolarHBondContact OD2-OG 3.42Å; D8-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q355 PolarHBondContact OD1-NE2 2.81Å
9W90.5Very high89.3Confident22 Ų2268.4 Ų68.48%0.08334%0.343CS..EExtended strand (participates in β ladder)trans-110.4-51.4173.6-171.765.5000110.4P54 P56 G60 L338 H339 L341 V344 C356 Y358W9-P54 HydrophobicContact CZ3-CB 4.35Å; W9-P56 HydrophobicContact CD2-CG 4.09Å; W9-P56 HydrophobicContact CE3-CG 4.37Å; W9-P56 HydrophobicContact CH2-CG 4.23Å; W9-P56 HydrophobicContact CZ2-CG 3.9Å; W9-P56 HydrophobicContact CZ3-CG 4.44Å; W9-G60 PolarHBondContact O-N 3.1Å; W9-G60 VanDerWaalsContact O-N 3.14Å; W9-L338 HydrophobicContact CH2-CB 3.84Å; W9-L338 WeakPolarHBondContact CH2-O 3.47Å; W9-L338 HydrophobicContact CZ3-CB 3.67Å; W9-L338 HydrophobicContact CZ3-CD1 4.08Å; W9-H339 HydrophobicContact CH2-CB 3.88Å; W9-H339 HydrophobicContact CZ2-CB 4.31Å; W9-L341 HydrophobicContact CD2-CD2 4.33Å; W9-L341 HydrophobicContact CZ2-CB 4.35Å; W9-L341 HydrophobicContact CZ2-CD2 4.2Å; W9-V344 HydrophobicContact CE3-CG1 4.19Å; W9-C356 WeakPolarHBondContact CA-O 3.36Å; W9-C356 HydrophobicContact CB-CB 4.43Å; W9-C356 VanDerWaalsContact CB-O 3.3Å; W9-C356 WeakPolarHBondContact CB-O 3.4Å; W9-C356 HydrophobicContact CE3-CB 3.74Å; W9-C356 HydrophobicContact CZ3-CB 4.49Å; W9-C356 PolarHBondContact N-O 2.62Å; W9-Y358 HydrophobicContact CB-CD1 3.99Å; W9-Y358 HydrophobicContact CB-CE1 4.14Å; W9-Y358 HydrophobicContact CG-CD1 4.44Å
10W93.6Very high89.7Confident1 Ų165.3 Ų65.30%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-149.8137172.6173.591.7000108T12 I40 F52 P54 P56 A63 D67 L354 C356W10-T12 HydrophobicContact CH2-CG2 3.63Å; W10-T12 HydrophobicContact CZ2-CG2 4.09Å; W10-T12 HydrophobicContact CZ3-CG2 4.22Å; W10-I40 HydrophobicContact CE3-CD1 4.24Å; W10-I40 HydrophobicContact CZ3-CD1 3.84Å; W10-F52 HydrophobicContact CH2-CB 4.03Å; W10-F52 AromaticContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD2 4.39Å; W10-F52 HydrophobicContact CH2-CE1 4.22Å; W10-F52 AromaticContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CZ2-CB 4.42Å; W10-F52 AromaticContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CE1 4.38Å; W10-F52 HydrophobicContact CZ2-CG 4.28Å; W10-P54 HydrophobicContact CB-CB 4.15Å; W10-P54 HydrophobicContact CD2-CB 3.68Å; W10-P54 HydrophobicContact CD2-CG 3.76Å; W10-P54 HydrophobicContact CE3-CB 4.18Å; W10-P54 HydrophobicContact CE3-CG 3.78Å; W10-P54 HydrophobicContact CG-CB 3.66Å; W10-P54 HydrophobicContact CG-CG 4.27Å; W10-P54 HydrophobicContact CH2-CG 4.3Å; W10-P54 HydrophobicContact CZ2-CG 4.29Å; W10-P54 HydrophobicContact CZ3-CG 4.05Å; W10-P56 HydrophobicContact CB-CG 4.37Å; W10-A63 HydrophobicContact CZ2-CB 4.03Å; W10-D67 HydrophobicContact CZ2-CB 4.07Å; W10-D67 PolarHBondContact NE1-OD2 2.63Å; W10-L354 HydrophobicContact CH2-CD2 3.85Å; W10-L354 HydrophobicContact CZ3-CD2 3.67Å; W10-L354 HydrophobicContact CZ3-CG 3.97Å; W10-C356 HydrophobicContact CB-CB 4.2Å; W10-C356 HydrophobicContact CE3-CB 4.47Å; W10-C356 PolarHBondContact N-O 3.48Å; W10-C356 WeakPolarHBondContact O-CA 3.49Å; W10-C356 WeakPolarHBondContact O-CB 3.43Å; W10-C356 PolarHBondContact O-N 2.93Å
11S93Very high89.9Confident36 Ų3665.6 Ų65.625%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-149.3153.5179590000112.2D8 A63 L354D8-S11 WeakPolarHBondContact OD1-CB 3.19Å; D8-S11 PolarHBondContact OD1-OG 3.35Å; D8-S11 PolarHBondContact OD2-OG 3.42Å; S11-A63 PolarHBondContact O-N 3.42Å; S11-L354 WeakPolarHBondContact CA-O 3.28Å
12T93.8Very high91.2Very high39 Ų3959.1 Ų59.124%0.23930%0.298CS..EExtended strand (participates in β ladder)trans-150.9158.7172.7-168.70000110.2W10 L14 F52 L354W10-T12 HydrophobicContact CH2-CG2 3.63Å; W10-T12 HydrophobicContact CZ2-CG2 4.09Å; W10-T12 HydrophobicContact CZ3-CG2 4.22Å; T12-L14 HydrophobicContact CG2-CD2 3.76Å; T12-L14 HydrophobicContact CG2-CG 4.47Å; T12-F52 HydrophobicContact CG2-CE1 4.41Å; T12-F52 HydrophobicContact CG2-CZ 4.39Å; T12-L354 HydrophobicContact CG2-CB 4.18Å; T12-L354 HydrophobicContact CG2-CD2 4.2Å; T12-L354 PolarHBondContact N-O 3.42Å; T12-L354 PolarHBondContact O-N 2.91Å; T12-L354 VanDerWaalsContact O-O 3.09Å
13I93.5Very high91.7Very high103 Ų10358.7 Ų58.753%0.52830%0.297SS..EExtended strand (participates in β ladder)trans-101.7127.8168.7-58175.8000107.3G15I13-G15 PolarHBondContact O-N 3.09Å
14L92.2Very high92Very high3 Ų356 Ų562%0.01628%0.282CS..  trans-91.9101.3-175.5-59.9179.1000110.4T12 F20 V42 F52 L348 G352 L354T12-L14 HydrophobicContact CG2-CD2 3.76Å; T12-L14 HydrophobicContact CG2-CG 4.47Å; L14-F20 HydrophobicContact CB-CE2 4.17Å; L14-F20 HydrophobicContact CB-CZ 3.72Å; L14-F20 HydrophobicContact CD1-CE1 4.17Å; L14-F20 HydrophobicContact CD1-CZ 4.04Å; L14-V42 HydrophobicContact CD1-CB 4.03Å; L14-V42 HydrophobicContact CD1-CG1 3.64Å; L14-V42 HydrophobicContact CD1-CG2 4.1Å; L14-F52 HydrophobicContact CD2-CE2 3.66Å; L14-F52 HydrophobicContact CD2-CZ 3.43Å; L14-F52 VanDerWaalsContact CD2-CZ 3.43Å; L14-L348 HydrophobicContact CD1-CD1 3.85Å; L14-G352 WeakPolarHBondContact CB-O 3.25Å; L14-G352 WeakPolarHBondContact CG-O 3.37Å; L14-G352 PolarHBondContact N-O 3.24Å; L14-L354 HydrophobicContact CD1-CB 3.91Å; L14-L354 HydrophobicContact CD1-CD2 4.18Å; L14-L354 HydrophobicContact CD2-CB 4.45Å; L14-L354 HydrophobicContact CD2-CD2 4.24Å; L14-L354 HydrophobicContact CG-CB 3.99Å
15G83.7Confident92.3Very high31 Ų3151.4 Ų51.432%0.3226%0.262SS..SBendtrans67.8-173.9174.400000115.2I13 E18I13-G15 PolarHBondContact O-N 3.09Å; G15-E18 VanDerWaalsContact CA-OE1 3.31Å; G15-E18 WeakPolarHBondContact CA-OE1 3.33Å
16D83.4Confident92.5Very high160 Ų16047.9 Ų47.986%0.85625%0.248SC*.SBendtrans-111.4111.2178.7-73.9-29.6000109.7E18D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact O-N 3.18Å
17K85.6Confident92.6Very high202 Ų20248.7 Ų48.788%0.87825%0.251SS*.SBendtrans57.238.5179.9-54.1178.1179178.60113.6
18E92.7Very high92.7Very high15 Ų1545.7 Ų45.77%0.0724%0.243CC..  trans-75.9168.1167.1-67-167.5-139.400111.1G15 D16 F20 S44 M46 R50G15-E18 VanDerWaalsContact CA-OE1 3.31Å; G15-E18 WeakPolarHBondContact CA-OE1 3.33Å; D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact O-N 3.18Å; E18-F20 HydrophobicContact CB-CE2 3.61Å; E18-F20 HydrophobicContact CB-CZ 3.74Å; E18-S44 WeakPolarHBondContact OE2-CB 3.43Å; E18-S44 PolarHBondContact OE2-OG 2.88Å; E18-M46 HydrophobicContact CB-CG 4.47Å; E18-M46 HydrophobicContact CG-CG 4.14Å; E18-R50 VanDerWaalsContact CD-NH1 3.31Å; E18-R50 IonicContact OE1-CZ 3.74Å; E18-R50 VanDerWaalsContact OE1-CZ 3.27Å; E18-R50 IonicContact OE1-NH1 3.49Å; E18-R50 PolarHBondContact OE1-NH1 3.18Å; E18-R50 VanDerWaalsContact OE1-NH1 3.07Å; E18-R50 IonicContact OE1-NH2 3.39Å; E18-R50 PolarHBondContact OE1-NH2 3.38Å; E18-R50 IonicContact OE2-CZ 2.84Å; E18-R50 IonicContact OE2-NH1 2.8Å; E18-R50 PolarHBondContact OE2-NH1 3.22Å; E18-R50 IonicContact OE2-NH2 3.39Å
19E94.8Very high92.8Very high106 Ų10644.9 Ų44.950%0.49524%0.238SC..  trans-133.9135.9-179.1-169.4178.1-177.900109.6F45 D350E19-F45 HydrophobicContact CB-CB 4.27Å; E19-F45 HydrophobicContact CB-CD2 4.08Å; E19-F45 HydrophobicContact CG-CD2 3.76Å; E19-F45 HydrophobicContact CG-CE2 4.3Å; E19-F45 WeakPolarHBondContact O-CB 3.45Å; E19-F45 PolarHBondContact O-N 2.99Å; E19-D350 WeakPolarHBondContact CA-O 3.42Å
20F96.7Very high93Very high6 Ų643.8 Ų43.83%0.02623%0.234CC..  trans-134.5153.9-175.8-54.5-88.3000111.3L14 E18 C24 V42 G43 L348 D350L14-F20 HydrophobicContact CB-CE2 4.17Å; L14-F20 HydrophobicContact CB-CZ 3.72Å; L14-F20 HydrophobicContact CD1-CE1 4.17Å; L14-F20 HydrophobicContact CD1-CZ 4.04Å; E18-F20 HydrophobicContact CB-CE2 3.61Å; E18-F20 HydrophobicContact CB-CZ 3.74Å; F20-C24 HydrophobicContact CB-CB 4.26Å; F20-C24 HydrophobicContact CD1-CB 4.34Å; F20-V42 HydrophobicContact CD1-CG1 3.66Å; F20-V42 HydrophobicContact CE1-CG1 3.59Å; F20-G43 VanDerWaalsContact CD1-O 3.31Å; F20-G43 WeakPolarHBondContact CD1-O 3.45Å; F20-L348 HydrophobicContact CB-CD2 3.92Å; F20-L348 HydrophobicContact CB-CG 4.27Å; F20-L348 HydrophobicContact CD1-CD2 4.15Å; F20-L348 HydrophobicContact CD2-CD1 4.48Å; F20-L348 HydrophobicContact CG-CD1 4.3Å; F20-L348 HydrophobicContact CG-CD2 4.15Å; F20-L348 HydrophobicContact CG-CG 4.44Å; F20-D350 WeakPolarHBondContact CD2-O 3.03Å; F20-D350 PolarHBondContact N-O 3.04Å
21D95Very high92.9Very high72 Ų7245.6 Ų45.639%0.38524%0.244SC..  trans-133.5177.5178.1-163.17.7000111.8G23 C24 F45D21-G23 PolarHBondContact O-N 2.94Å; D21-G23 VanDerWaalsContact O-N 3.11Å; D21-C24 PolarHBondContact N-SG 3.3Å; D21-C24 WeakPolarHBondContact O-CB 3.23Å; D21-C24 PolarHBondContact O-N 2.79Å; D21-F45 HydrophobicContact CB-CE1 4.07Å; D21-F45 HydrophobicContact CB-CE2 4.22Å; D21-F45 HydrophobicContact CB-CZ 3.48Å; D21-F45 VanDerWaalsContact CB-CZ 3.48Å
22Q92.8Very high92.8Very high52 Ų5245.7 Ų45.724%0.24324%0.242CC..G310 helixtrans-55.3-32.4-174.361.7-178.5-2.400114.4C24 L246Q22-C24 VanDerWaalsContact C-N 3.31Å; Q22-L246 PolarHBondContact OE1-O 2.92Å
23G93.1Very high92.5Very high10 Ų1045.2 Ų45.210%0.10324%0.24CC..G310 helixtrans-79.5-10.6179.200000114.1D21 Q80 V81D21-G23 PolarHBondContact O-N 2.94Å; D21-G23 VanDerWaalsContact O-N 3.11Å; G23-Q80 CarbonylContact O-C 3.59Å; G23-Q80 VanDerWaalsContact O-CA 3.31Å; G23-Q80 WeakPolarHBondContact O-CA 3.43Å; G23-V81 PolarHBondContact O-N 3.23Å
24C96.7Very high92Very high0 Ų044.8 Ų44.80%026%0.261CS..G310 helixtrans-75.9-26.5-173.7-69.40000113.4F20 D21 Q22 V42 G43 L348F20-C24 HydrophobicContact CB-CB 4.26Å; F20-C24 HydrophobicContact CD1-CB 4.34Å; D21-C24 PolarHBondContact N-SG 3.3Å; D21-C24 WeakPolarHBondContact O-CB 3.23Å; D21-C24 PolarHBondContact O-N 2.79Å; Q22-C24 VanDerWaalsContact C-N 3.31Å; C24-V42 VanDerWaalsContact O-CA 3.27Å; C24-V42 WeakPolarHBondContact O-CA 3.37Å; C24-G43 WeakPolarHBondContact CB-O 3.37Å; C24-G43 PolarHBondContact O-N 3.45Å; C24-G43 PolarHBondContact SG-O 2.97Å; C24-L348 HydrophobicContact CB-CD2 4.05Å
25L97.5Very high91.5Very high1 Ų149.1 Ų49.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-101.1121.2-176.3-179.565.8000112.2I40 V42 A332 R334 V346 L348 L354L25-I40 HydrophobicContact CD1-CG2 3.68Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; L25-A332 HydrophobicContact CB-CB 3.6Å; L25-A332 HydrophobicContact CD2-CB 3.83Å; L25-A332 HydrophobicContact CG-CB 4.33Å; L25-R334 HydrophobicContact CD2-CB 4.38Å; L25-R334 HydrophobicContact CD2-CG 3.93Å; L25-R334 HydrophobicContact CG-CG 4.02Å; L25-R334 PolarHBondContact O-NE 3.36Å; L25-R334 PolarHBondContact O-NH2 3.48Å; L25-V346 HydrophobicContact CD1-CG1 4.19Å; L25-V346 HydrophobicContact CD2-CG1 4.28Å; L25-L348 HydrophobicContact CB-CB 4.25Å; L25-L348 HydrophobicContact CB-CD2 3.93Å; L25-L348 HydrophobicContact CD2-CB 3.97Å; L25-L348 HydrophobicContact CG-CB 4.48Å; L25-L354 HydrophobicContact CD1-CD1 4.1Å
26C96.9Very high91.5Very high11 Ų1149.8 Ų49.87%0.07429%0.291CS..EExtended strand (participates in β ladder)trans-129.7144.8173.1-173.60000111.4I41 V81C26-I41 HydrophobicContact CB-CB 4.31Å; C26-I41 HydrophobicContact CB-CD1 4.39Å; C26-I41 PolarHBondContact N-O 3.04Å; C26-I41 PolarHBondContact O-N 3.37Å; C26-V81 HydrophobicContact CB-CG1 4.47Å
27L95.6Very high91.7Very high28 Ų2843 Ų4315%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-122.6118.1171.8-69.6-172.7000108.9D38 K39 I40 R334 V346L27-D38 HydrophobicContact CB-CB 4.42Å; L27-K39 WeakPolarHBondContact CA-O 3.22Å; L27-I40 HydrophobicContact CD2-CB 4.01Å; L27-I40 HydrophobicContact CD2-CG1 3.7Å; L27-I40 HydrophobicContact CD2-CG2 4.07Å; L27-R334 HydrophobicContact CB-CB 4.4Å; L27-R334 HydrophobicContact CD1-CB 3.44Å; L27-R334 VanDerWaalsContact CD1-CB 3.44Å; L27-R334 HydrophobicContact CD1-CG 4.5Å; L27-R334 HydrophobicContact CG-CB 3.66Å; L27-R334 HydrophobicContact CG-CG 4.22Å; L27-V346 HydrophobicContact CD1-CB 4.1Å; L27-V346 HydrophobicContact CD1-CG2 3.7Å; L27-V346 HydrophobicContact CD2-CG2 4.25Å
28A94Very high92.1Very high15 Ų1535.2 Ų35.212%0.12422%0.222CC..EExtended strand (participates in β ladder)trans-163.6166.717400000111.9V30 K39 V83A28-V30 PolarHBondContact O-N 2.82Å; A28-K39 PolarHBondContact N-O 3.39Å; A28-K39 PolarHBondContact O-N 2.95Å; A28-V83 HydrophobicContact CB-CB 3.6Å; A28-V83 HydrophobicContact CB-CG1 3.58Å; A28-V83 HydrophobicContact CB-CG2 3.94Å
29N94.4Very high92.2Very high29 Ų2934.8 Ų34.816%0.15522%0.22CC..  trans-78.162.7171.1-170.824.1000111.9D31 N32 S33 Q37 L93N29-D31 VanDerWaalsContact C-N 3.33Å; N29-D31 PolarHBondContact O-N 3.32Å; N29-D31 PolarHBondContact OD1-OD1 3.14Å; N29-N32 WeakPolarHBondContact O-CA 3.13Å; N29-N32 PolarHBondContact O-N 2.86Å; N29-S33 PolarHBondContact ND2-N 3.46Å; N29-S33 PolarHBondContact ND2-O 2.86Å; N29-S33 PolarHBondContact OD1-N 3.49Å; N29-S33 VanDerWaalsContact OD1-N 3.15Å; N29-S33 PolarHBondContact OD1-OG 3.16Å; N29-Q37 PolarHBondContact OD1-O 3.4Å; N29-L93 HydrophobicContact CB-CD1 4.5Å
30V93.9Very high92.2Very high0 Ų029.8 Ų29.80%020%0.196CC..THydrogen-bonded Turntrans-66-27.3-168.966.70000115A28 N32 K39 I41 I51 V83 L95 V108A28-V30 PolarHBondContact O-N 2.82Å; V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-ND2 3.35Å; V30-K39 HydrophobicContact CG1-CB 4.24Å; V30-K39 HydrophobicContact CG1-CD 4.11Å; V30-I41 HydrophobicContact CB-CD1 3.81Å; V30-I41 HydrophobicContact CG1-CD1 3.95Å; V30-I41 HydrophobicContact CG1-CG1 4.21Å; V30-I41 HydrophobicContact CG2-CD1 4.09Å; V30-I51 HydrophobicContact CG1-CD1 4.18Å; V30-I51 HydrophobicContact CG1-CG2 4.15Å; V30-V83 HydrophobicContact CB-CG1 4.46Å; V30-V83 HydrophobicContact CB-CG2 4.24Å; V30-V83 HydrophobicContact CG2-CG1 4.46Å; V30-V83 HydrophobicContact CG2-CG2 3.99Å; V30-L95 HydrophobicContact CG2-CB 3.98Å; V30-L95 HydrophobicContact CG2-CD1 4.24Å; V30-V108 HydrophobicContact CG2-CB 4.1Å; V30-V108 HydrophobicContact CG2-CG2 3.82Å
31D91.4Very high92.3Very high38 Ų3829.5 Ų29.520%0.20320%0.195CC..THydrogen-bonded Turntrans-85.50.1174.370.4-23.2000112.7N29 S33 K39N29-D31 VanDerWaalsContact C-N 3.33Å; N29-D31 PolarHBondContact O-N 3.32Å; N29-D31 PolarHBondContact OD1-OD1 3.14Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 PolarHBondContact OD1-N 3.34Å; D31-S33 VanDerWaalsContact OD1-N 3.14Å; D31-S33 PolarHBondContact OD1-OG 2.87Å; D31-S33 WeakPolarHBondContact OD2-CB 3.42Å; D31-K39 HydrophobicContact CB-CD 4.37Å; D31-K39 VanDerWaalsContact OD1-CE 3.25Å; D31-K39 WeakPolarHBondContact OD1-CE 3.47Å; D31-K39 IonicContact OD1-NZ 3.25Å; D31-K39 PolarHBondContact OD1-NZ 3.38Å; D31-K39 WeakPolarHBondContact OD2-CE 3.2Å; D31-K39 IonicContact OD2-NZ 2.7Å; D31-K39 PolarHBondContact OD2-NZ 2.59Å
32N91.6Very high92.4Very high39 Ų3926 Ų2621%0.20918%0.177CC..  trans54.835.8-177-59.3-93.1000113.6N29 V30 M92 L93N29-N32 WeakPolarHBondContact O-CA 3.13Å; N29-N32 PolarHBondContact O-N 2.86Å; V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-ND2 3.35Å; N32-M92 HydrophobicContact CB-CE 3.26Å; N32-M92 HydrophobicContact CB-SD 4.2Å; N32-L93 PolarHBondContact ND2-O 3Å; N32-L93 WeakPolarHBondContact OD1-CB 3.31Å; N32-L93 PolarHBondContact OD1-N 2.66Å
33S88Confident92.6Very high29 Ų2923.6 Ų23.620%0.20317%0.165CC..  trans-65.7144.6179.2570000112N29 D31 N35 G36 K39N29-S33 PolarHBondContact ND2-N 3.46Å; N29-S33 PolarHBondContact ND2-O 2.86Å; N29-S33 PolarHBondContact OD1-N 3.49Å; N29-S33 VanDerWaalsContact OD1-N 3.15Å; N29-S33 PolarHBondContact OD1-OG 3.16Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 PolarHBondContact OD1-N 3.34Å; D31-S33 VanDerWaalsContact OD1-N 3.14Å; D31-S33 PolarHBondContact OD1-OG 2.87Å; D31-S33 WeakPolarHBondContact OD2-CB 3.42Å; S33-N35 WeakPolarHBondContact CB-OD1 2.98Å; S33-N35 PolarHBondContact O-N 3.4Å; S33-N35 VanDerWaalsContact O-N 3.12Å; S33-N35 PolarHBondContact OG-OD1 3.36Å; S33-G36 PolarHBondContact O-N 2.75Å; S33-K39 PolarHBondContact OG-NZ 3.45Å
34G81.8Confident92.8Very high94 Ų9423.1 Ų23.197%0.96916%0.16SC*.THydrogen-bonded Turntrans-67.1-11.4-176.800000115.2G36G34-G36 VanDerWaalsContact C-N 3.35Å
35N82.3Confident92.8Very high94 Ų9425.3 Ų25.350%0.50317%0.17SC..THydrogen-bonded Turntrans-78.3-17.6175.866.4-2.9000113.2S33 Q37S33-N35 WeakPolarHBondContact CB-OD1 2.98Å; S33-N35 PolarHBondContact O-N 3.4Å; S33-N35 VanDerWaalsContact O-N 3.12Å; S33-N35 PolarHBondContact OG-OD1 3.36Å; N35-Q37 HydrophobicContact CB-CG 4.32Å; N35-Q37 PolarHBondContact ND2-OE1 3.31Å; N35-Q37 PolarHBondContact O-N 3.04Å; N35-Q37 PolarHBondContact OD1-N 3Å; N35-Q37 VanDerWaalsContact OD1-N 3.17Å
36G82.9Confident92.6Very high45 Ų4529.8 Ų29.846%0.46419%0.192SC..  trans65.719.6-178.500000115S33 G34S33-G36 PolarHBondContact O-N 2.75Å; G34-G36 VanDerWaalsContact C-N 3.35Å
37Q88.5Confident92.5Very high18 Ų1829.3 Ų29.38%0.08419%0.189CC..  trans-79.6140.9177.8-68.8-175.2-12.100111N29 N35 D340N29-Q37 PolarHBondContact OD1-O 3.4Å; N35-Q37 HydrophobicContact CB-CG 4.32Å; N35-Q37 PolarHBondContact ND2-OE1 3.31Å; N35-Q37 PolarHBondContact O-N 3.04Å; N35-Q37 PolarHBondContact OD1-N 3Å; N35-Q37 VanDerWaalsContact OD1-N 3.17Å; Q37-D340 PolarHBondContact NE2-OD1 2.95Å
38D93.1Very high92.5Very high37 Ų3731.8 Ų31.820%0.19820%0.197CC..  trans-73.6149178.5-64-42.4000110.9L27 G336 C337 L338L27-D38 HydrophobicContact CB-CB 4.42Å; D38-G336 WeakPolarHBondContact OD2-CA 3.37Å; D38-C337 PolarHBondContact N-O 3.22Å; D38-C337 PolarHBondContact OD2-N 2.89Å; D38-L338 HydrophobicContact CB-CD2 4Å; D38-L338 VanDerWaalsContact O-CD2 3.23Å; D38-L338 WeakPolarHBondContact O-CD2 3.46Å
39K94.4Very high92.6Very high7 Ų731 Ų313%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-118.3145.7172-67.9168.7-179.577.60108.8L27 A28 V30 D31 S33 I51 F52 L69L27-K39 WeakPolarHBondContact CA-O 3.22Å; A28-K39 PolarHBondContact N-O 3.39Å; A28-K39 PolarHBondContact O-N 2.95Å; V30-K39 HydrophobicContact CG1-CB 4.24Å; V30-K39 HydrophobicContact CG1-CD 4.11Å; D31-K39 HydrophobicContact CB-CD 4.37Å; D31-K39 VanDerWaalsContact OD1-CE 3.25Å; D31-K39 WeakPolarHBondContact OD1-CE 3.47Å; D31-K39 IonicContact OD1-NZ 3.25Å; D31-K39 PolarHBondContact OD1-NZ 3.38Å; D31-K39 WeakPolarHBondContact OD2-CE 3.2Å; D31-K39 IonicContact OD2-NZ 2.7Å; D31-K39 PolarHBondContact OD2-NZ 2.59Å; S33-K39 PolarHBondContact OG-NZ 3.45Å; K39-I51 HydrophobicContact CB-CG2 4.04Å; K39-F52 CarbonylContact C-O 3.45Å; K39-F52 WeakPolarHBondContact CA-O 3.44Å; K39-F52 WeakPolarHBondContact CB-O 3.46Å; K39-L69 HydrophobicContact CD-CD1 3.73Å; K39-L69 HydrophobicContact CG-CD1 4.35Å
40I96.5Very high92.7Very high0 Ų030.1 Ų30.10%019%0.185CC..EExtended strand (participates in β ladder)trans-88.5118.8-180-44.4-178.6000108.7W10 L25 L27 V42 I51 F52 P54 L338 V346 L354 C356W10-I40 HydrophobicContact CE3-CD1 4.24Å; W10-I40 HydrophobicContact CZ3-CD1 3.84Å; L25-I40 HydrophobicContact CD1-CG2 3.68Å; L27-I40 HydrophobicContact CD2-CB 4.01Å; L27-I40 HydrophobicContact CD2-CG1 3.7Å; L27-I40 HydrophobicContact CD2-CG2 4.07Å; I40-V42 HydrophobicContact CG2-CG2 4.04Å; I40-I51 CarbonylContact O-C 3.56Å; I40-I51 VanDerWaalsContact O-CA 3.32Å; I40-I51 WeakPolarHBondContact O-CA 3.46Å; I40-F52 HydrophobicContact CB-CB 4.21Å; I40-F52 PolarHBondContact N-O 2.61Å; I40-F52 PolarHBondContact O-N 2.83Å; I40-P54 HydrophobicContact CD1-CG 3.57Å; I40-P54 HydrophobicContact CG1-CG 4.2Å; I40-L338 HydrophobicContact CD1-CD1 4.16Å; I40-L338 HydrophobicContact CG1-CD1 4.44Å; I40-L338 HydrophobicContact CG1-CD2 4.35Å; I40-V346 HydrophobicContact CD1-CG1 4.08Å; I40-V346 HydrophobicContact CG2-CG1 4.19Å; I40-L354 HydrophobicContact CG2-CD1 4.04Å; I40-L354 HydrophobicContact CG2-CD2 4.05Å; I40-C356 WeakPolarHBondContact CD1-SG 3.46Å
41I97.3Very high92.8Very high0 Ų030.1 Ų30.10%019%0.185CC..EExtended strand (participates in β ladder)trans-113.7125.8179.9-52.6150000107.5C26 V30 L49 R50 I51 V81 V83 L95C26-I41 HydrophobicContact CB-CB 4.31Å; C26-I41 HydrophobicContact CB-CD1 4.39Å; C26-I41 PolarHBondContact N-O 3.04Å; C26-I41 PolarHBondContact O-N 3.37Å; V30-I41 HydrophobicContact CB-CD1 3.81Å; V30-I41 HydrophobicContact CG1-CD1 3.95Å; V30-I41 HydrophobicContact CG1-CG1 4.21Å; V30-I41 HydrophobicContact CG2-CD1 4.09Å; I41-L49 HydrophobicContact CG2-CD1 3.93Å; I41-R50 WeakPolarHBondContact CA-O 3.45Å; I41-I51 HydrophobicContact CG1-CG1 4.25Å; I41-I51 HydrophobicContact CG1-CG2 4.17Å; I41-I51 HydrophobicContact CG2-CG1 4.2Å; I41-V81 HydrophobicContact CG2-CG1 3.67Å; I41-V83 HydrophobicContact CD1-CG2 3.49Å; I41-V83 VanDerWaalsContact CD1-CG2 3.49Å; I41-L95 HydrophobicContact CD1-CD1 4.14Å; I41-L95 HydrophobicContact CG2-CD1 4.08Å; I41-L95 HydrophobicContact CG2-CD2 4.46Å
42V97.8Very high92.9Very high0 Ų028.9 Ų28.90%018%0.178CC..EExtended strand (participates in β ladder)trans-129.7120.1179.9-170.80000110.5L14 F20 C24 L25 I40 R50 L348 L354L14-V42 HydrophobicContact CD1-CB 4.03Å; L14-V42 HydrophobicContact CD1-CG1 3.64Å; L14-V42 HydrophobicContact CD1-CG2 4.1Å; F20-V42 HydrophobicContact CD1-CG1 3.66Å; F20-V42 HydrophobicContact CE1-CG1 3.59Å; C24-V42 VanDerWaalsContact O-CA 3.27Å; C24-V42 WeakPolarHBondContact O-CA 3.37Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; I40-V42 HydrophobicContact CG2-CG2 4.04Å; V42-R50 PolarHBondContact N-O 3.08Å; V42-R50 PolarHBondContact O-N 3.2Å; V42-L348 HydrophobicContact CG1-CD1 4.27Å; V42-L348 HydrophobicContact CG1-CD2 3.71Å; V42-L354 HydrophobicContact CG2-CD1 4.23Å; V42-L354 HydrophobicContact CG2-CD2 4.06Å
43G96.8Very high92.9Very high0 Ų027.6 Ų27.60%017%0.172CC..EExtended strand (participates in β ladder)trans-99.4143.5169.100000111.6F20 C24 Y48F20-G43 VanDerWaalsContact CD1-O 3.31Å; F20-G43 WeakPolarHBondContact CD1-O 3.45Å; C24-G43 WeakPolarHBondContact CB-O 3.37Å; C24-G43 PolarHBondContact O-N 3.45Å; C24-G43 PolarHBondContact SG-O 2.97Å; G43-Y48 CarbonylContact C-O 3.57Å; G43-Y48 WeakPolarHBondContact CA-O 3.48Å
44S96.8Very high93Very high0 Ų026.3 Ų26.30%016%0.163CC..  trans-113.1150.3-178.3175.30000111.8E18 M46 G47 Y48 V78E18-S44 WeakPolarHBondContact OE2-CB 3.43Å; E18-S44 PolarHBondContact OE2-OG 2.88Å; S44-M46 PolarHBondContact O-N 3.43Å; S44-M46 PolarHBondContact OG-N 3.43Å; S44-M46 VanDerWaalsContact OG-N 3.09Å; S44-G47 PolarHBondContact O-N 3.47Å; S44-Y48 WeakPolarHBondContact CB-O 3.34Å; S44-Y48 PolarHBondContact N-O 3.27Å; S44-V78 WeakPolarHBondContact O-CB 3.3Å; S44-V78 PolarHBondContact O-N 2.88Å
45F96.3Very high93.2Very high46 Ų4625.8 Ų25.820%0.20214%0.135CC..THydrogen-bonded Turntrans-65.3-13.7169-72.1-5.5000113.3E19 D21 G47 P77 V78 L79E19-F45 HydrophobicContact CB-CB 4.27Å; E19-F45 HydrophobicContact CB-CD2 4.08Å; E19-F45 HydrophobicContact CG-CD2 3.76Å; E19-F45 HydrophobicContact CG-CE2 4.3Å; E19-F45 WeakPolarHBondContact O-CB 3.45Å; E19-F45 PolarHBondContact O-N 2.99Å; D21-F45 HydrophobicContact CB-CE1 4.07Å; D21-F45 HydrophobicContact CB-CE2 4.22Å; D21-F45 HydrophobicContact CB-CZ 3.48Å; D21-F45 VanDerWaalsContact CB-CZ 3.48Å; F45-G47 VanDerWaalsContact C-N 3.28Å; F45-P77 VanDerWaalsContact O-CA 3.3Å; F45-P77 WeakPolarHBondContact O-CA 3.4Å; F45-P77 WeakPolarHBondContact O-CB 3.48Å; F45-P77 VanDerWaalsContact O-CG 3.28Å; F45-P77 WeakPolarHBondContact O-CG 3.3Å; F45-V78 VanDerWaalsContact CD1-O 3.32Å; F45-V78 WeakPolarHBondContact CD1-O 3.47Å; F45-L79 HydrophobicContact CD1-CD2 4.47Å; F45-L79 HydrophobicContact CE1-CD2 4.02Å
46M94Very high93.1Very high96 Ų9622.3 Ų22.347%0.47312%0.118SC..THydrogen-bonded Turntrans-83.3-4.3171.2-58.8-58.1144.800113.3E18 S44 Y48E18-M46 HydrophobicContact CB-CG 4.47Å; E18-M46 HydrophobicContact CG-CG 4.14Å; S44-M46 PolarHBondContact O-N 3.43Å; S44-M46 PolarHBondContact OG-N 3.43Å; S44-M46 VanDerWaalsContact OG-N 3.09Å; M46-Y48 HydrophobicContact CB-CD2 3.97Å; M46-Y48 HydrophobicContact CB-CE2 4.17Å
47G94.1Very high92.5Very high0 Ų024.7 Ų24.70%013%0.133CC..SBendtrans95.9-3.3178.600000115S44 F45 L74 D76S44-G47 PolarHBondContact O-N 3.47Å; F45-G47 VanDerWaalsContact C-N 3.28Å; G47-L74 WeakPolarHBondContact O-CB 2.94Å; G47-L74 PolarHBondContact O-N 3.48Å; G47-D76 VanDerWaalsContact CA-O 3.28Å; G47-D76 WeakPolarHBondContact CA-O 3.34Å
48Y96.6Very high91.7Very high80 Ų8031.1 Ų31.131%0.31416%0.161SC..EExtended strand (participates in β ladder)trans-71.7131.3173.9-64.1-69.5000111.5G43 S44 M46 E71 V72 D73G43-Y48 CarbonylContact C-O 3.57Å; G43-Y48 WeakPolarHBondContact CA-O 3.48Å; S44-Y48 WeakPolarHBondContact CB-O 3.34Å; S44-Y48 PolarHBondContact N-O 3.27Å; M46-Y48 HydrophobicContact CB-CD2 3.97Å; M46-Y48 HydrophobicContact CB-CE2 4.17Å; Y48-E71 HydrophobicContact CD1-CG 4.45Å; Y48-V72 WeakPolarHBondContact CA-O 3.08Å; Y48-D73 HydrophobicContact CD1-CB 4.09Å; Y48-D73 HydrophobicContact CE1-CB 3.96Å
49L96.7Very high90.6Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-117.1121.6169.7178.271000108.8I41 E71 V72 L74 V81 L95 V97 M123I41-L49 HydrophobicContact CG2-CD1 3.93Å; L49-E71 WeakPolarHBondContact O-CA 3.31Å; L49-V72 PolarHBondContact N-O 2.87Å; L49-V72 PolarHBondContact O-N 3.48Å; L49-L74 HydrophobicContact CB-CD1 3.96Å; L49-L74 HydrophobicContact CB-CG 4.38Å; L49-L74 HydrophobicContact CD2-CD1 4.11Å; L49-V81 HydrophobicContact CD1-CG2 4.14Å; L49-L95 HydrophobicContact CD1-CD2 4.43Å; L49-L95 HydrophobicContact CD2-CD2 3.73Å; L49-V97 HydrophobicContact CD2-CG2 4.13Å; L49-M123 HydrophobicContact CD2-CE 4.09Å; L49-M123 HydrophobicContact CD2-SD 3.49Å; L49-M123 WeakPolarHBondContact CD2-SD 3.18Å
50R96Very high89.2Confident9 Ų935.3 Ų35.33%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-120.9137.2-177.1-62.4174.7179.599.55.1110.4E18 I41 V42 F52 L68 L70 E71E18-R50 VanDerWaalsContact CD-NH1 3.31Å; E18-R50 IonicContact OE1-CZ 3.74Å; E18-R50 VanDerWaalsContact OE1-CZ 3.27Å; E18-R50 IonicContact OE1-NH1 3.49Å; E18-R50 PolarHBondContact OE1-NH1 3.18Å; E18-R50 VanDerWaalsContact OE1-NH1 3.07Å; E18-R50 IonicContact OE1-NH2 3.39Å; E18-R50 PolarHBondContact OE1-NH2 3.38Å; E18-R50 IonicContact OE2-CZ 2.84Å; E18-R50 IonicContact OE2-NH1 2.8Å; E18-R50 PolarHBondContact OE2-NH1 3.22Å; E18-R50 IonicContact OE2-NH2 3.39Å; I41-R50 WeakPolarHBondContact CA-O 3.45Å; V42-R50 PolarHBondContact N-O 3.08Å; V42-R50 PolarHBondContact O-N 3.2Å; R50-F52 HydrophobicContact CB-CD2 4.28Å; R50-F52 HydrophobicContact CB-CE2 3.52Å; R50-F52 HydrophobicContact CB-CZ 4Å; R50-F52 HydrophobicContact CG-CE2 4.42Å; R50-L68 HydrophobicContact CB-CD1 4.17Å; R50-L68 HydrophobicContact CG-CD1 4.43Å; R50-L70 WeakPolarHBondContact CA-O 3.43Å; R50-E71 HydrophobicContact CG-CB 4.26Å; R50-E71 HydrophobicContact CG-CG 3.97Å; R50-E71 IonicContact CZ-OE2 3.27Å; R50-E71 IonicContact NE-OE2 2.81Å; R50-E71 PolarHBondContact NE-OE2 2.89Å; R50-E71 IonicContact NH2-OE2 2.63Å; R50-E71 PolarHBondContact NH2-OE2 2.83Å
51I95.6Very high87.7Confident0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-122.2125171.6-51.8-176.2000108.3V30 K39 I40 I41 L69 L70 L95 V108V30-I51 HydrophobicContact CG1-CD1 4.18Å; V30-I51 HydrophobicContact CG1-CG2 4.15Å; K39-I51 HydrophobicContact CB-CG2 4.04Å; I40-I51 CarbonylContact O-C 3.56Å; I40-I51 VanDerWaalsContact O-CA 3.32Å; I40-I51 WeakPolarHBondContact O-CA 3.46Å; I41-I51 HydrophobicContact CG1-CG1 4.25Å; I41-I51 HydrophobicContact CG1-CG2 4.17Å; I41-I51 HydrophobicContact CG2-CG1 4.2Å; I51-L69 HydrophobicContact CB-CB 4.47Å; I51-L69 HydrophobicContact CG2-CD1 4.06Å; I51-L69 WeakPolarHBondContact O-CB 3.41Å; I51-L69 PolarHBondContact O-N 2.87Å; I51-L70 HydrophobicContact CB-CG 4.09Å; I51-L70 HydrophobicContact CD1-CD1 4.22Å; I51-L70 HydrophobicContact CD1-CD2 3.76Å; I51-L70 HydrophobicContact CD1-CG 4.05Å; I51-L70 HydrophobicContact CG1-CD1 4.01Å; I51-L70 HydrophobicContact CG1-CD2 4.24Å; I51-L70 HydrophobicContact CG1-CG 3.96Å; I51-L70 PolarHBondContact N-O 3.49Å; I51-L70 PolarHBondContact O-N 3.42Å; I51-L95 HydrophobicContact CD1-CD2 4.38Å; I51-V108 HydrophobicContact CD1-CG1 4.02Å; I51-V108 HydrophobicContact CD1-CG2 3.91Å
52F93.9Very high86.4Confident12 Ų1240.7 Ų40.75%0.05324%0.235CC..EExtended strand (participates in β ladder)trans-113.7145.3177.6-57.3-93.3000111.3W10 T12 L14 K39 I40 R50 D67 L68 L354W10-F52 HydrophobicContact CH2-CB 4.03Å; W10-F52 AromaticContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD2 4.39Å; W10-F52 HydrophobicContact CH2-CE1 4.22Å; W10-F52 AromaticContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CZ2-CB 4.42Å; W10-F52 AromaticContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CE1 4.38Å; W10-F52 HydrophobicContact CZ2-CG 4.28Å; T12-F52 HydrophobicContact CG2-CE1 4.41Å; T12-F52 HydrophobicContact CG2-CZ 4.39Å; L14-F52 HydrophobicContact CD2-CE2 3.66Å; L14-F52 HydrophobicContact CD2-CZ 3.43Å; L14-F52 VanDerWaalsContact CD2-CZ 3.43Å; K39-F52 CarbonylContact C-O 3.45Å; K39-F52 WeakPolarHBondContact CA-O 3.44Å; K39-F52 WeakPolarHBondContact CB-O 3.46Å; I40-F52 HydrophobicContact CB-CB 4.21Å; I40-F52 PolarHBondContact N-O 2.61Å; I40-F52 PolarHBondContact O-N 2.83Å; R50-F52 HydrophobicContact CB-CD2 4.28Å; R50-F52 HydrophobicContact CB-CE2 3.52Å; R50-F52 HydrophobicContact CB-CZ 4Å; R50-F52 HydrophobicContact CG-CE2 4.42Å; F52-D67 CarbonylContact C-O 3.51Å; F52-D67 WeakPolarHBondContact CA-O 3.41Å; F52-D67 WeakPolarHBondContact CB-O 3.43Å; F52-L68 HydrophobicContact CD1-CB 4.06Å; F52-L68 HydrophobicContact CD1-CD1 3.85Å; F52-L68 HydrophobicContact CE1-CB 3.97Å; F52-L68 HydrophobicContact CE1-CD1 3.4Å; F52-L68 VanDerWaalsContact CE1-CD1 3.4Å; F52-L68 HydrophobicContact CE1-CG 4.24Å; F52-L68 HydrophobicContact CE2-CD1 4.23Å; F52-L68 HydrophobicContact CG-CD1 4.44Å; F52-L68 HydrophobicContact CZ-CD1 3.61Å; F52-L354 HydrophobicContact CD2-CD2 4Å; F52-L354 HydrophobicContact CE2-CD2 4.01Å
53S91.9Very high85.4Confident12 Ų1242.6 Ų42.68%0.08425%0.251CS..  trans-125.193.1163.5-165.20000106.6H55 D67S53-H55 PolarHBondContact O-CE1 3.4Å; S53-H55 PolarHBondContact O-ND1 3.4Å; S53-H55 PolarHBondContact OG-CE1 3.46Å; S53-D67 PolarHBondContact N-O 3.22Å
54P90.6Very high84.7Confident2 Ų247.8 Ų47.81%0.01328%0.276CS..  trans-67.3130.7-177.4-23.835000113.2W9 W10 I40W9-P54 HydrophobicContact CZ3-CB 4.35Å; W10-P54 HydrophobicContact CB-CB 4.15Å; W10-P54 HydrophobicContact CD2-CB 3.68Å; W10-P54 HydrophobicContact CD2-CG 3.76Å; W10-P54 HydrophobicContact CE3-CB 4.18Å; W10-P54 HydrophobicContact CE3-CG 3.78Å; W10-P54 HydrophobicContact CG-CB 3.66Å; W10-P54 HydrophobicContact CG-CG 4.27Å; W10-P54 HydrophobicContact CH2-CG 4.3Å; W10-P54 HydrophobicContact CZ2-CG 4.29Å; W10-P54 HydrophobicContact CZ3-CG 4.05Å; I40-P54 HydrophobicContact CD1-CG 3.57Å; I40-P54 HydrophobicContact CG1-CG 4.2Å
55H85.4Confident84Confident83 Ų8352.4 Ų52.438%0.38431%0.314SS..  trans-134.365.8175.5-56.491.8000111.5S53 A57 D67 H339S53-H55 PolarHBondContact O-CE1 3.4Å; S53-H55 PolarHBondContact O-ND1 3.4Å; S53-H55 PolarHBondContact OG-CE1 3.46Å; H55-A57 PolarHBondContact O-N 2.92Å; H55-D67 PolarHBondContact N-OD1 2.96Å; H55-H339 AromaticContact CD2-CE1 3.68Å; H55-H339 AromaticContact CD2-ND1 3.26Å; H55-H339 PolarHBondContact CD2-ND1 2.72Å; H55-H339 VanDerWaalsContact CD2-ND1 3.26Å
56P80.7Confident83.4Confident22 Ų2255.3 Ų55.314%0.14333%0.328CS..  trans-65.6126.6-175.327.2-34.3000111.9W9 W10 K58W9-P56 HydrophobicContact CD2-CG 4.09Å; W9-P56 HydrophobicContact CE3-CG 4.37Å; W9-P56 HydrophobicContact CH2-CG 4.23Å; W9-P56 HydrophobicContact CZ2-CG 3.9Å; W9-P56 HydrophobicContact CZ3-CG 4.44Å; W10-P56 HydrophobicContact CB-CG 4.37Å; P56-K58 VanDerWaalsContact C-N 3.34Å
57A70.7Confident83.2Confident95 Ų9550.9 Ų50.979%0.78531%0.306SS*.SBendtrans-68.2-3417700000112.6H55H55-A57 PolarHBondContact O-N 2.92Å
58K70.9Confident83.1Confident152 Ų15253.9 Ų53.966%0.66132%0.322SS*.SBendtrans-134.4148.3169.4-63.2177.6-177.9170.90109.4P56 G60 D61P56-K58 VanDerWaalsContact C-N 3.34Å; K58-G60 PolarHBondContact O-N 3.21Å; K58-D61 WeakPolarHBondContact CB-OD2 3.32Å; K58-D61 WeakPolarHBondContact O-CB 3.48Å; K58-D61 PolarHBondContact O-N 3.16Å
59T69.6Low82.8Confident94 Ų9452.8 Ų52.858%0.57732%0.321SS*.THydrogen-bonded Turntrans-59.4121.117752.80000110.7
60G65.3Low82.6Confident38 Ų3853.5 Ų53.539%0.39233%0.325SS..THydrogen-bonded Turntrans839.4-17900000114.8W9 K58W9-G60 PolarHBondContact O-N 3.1Å; W9-G60 VanDerWaalsContact O-N 3.14Å; K58-G60 PolarHBondContact O-N 3.21Å
61D65.8Low82.4Confident68 Ų6857.9 Ų57.936%0.36435%0.346SS..PPolyproline II helixtrans-65.6139.4160.1-87.6-20.1000108.7K58K58-D61 WeakPolarHBondContact CB-OD2 3.32Å; K58-D61 WeakPolarHBondContact O-CB 3.48Å; K58-D61 PolarHBondContact O-N 3.16Å
62G68.7Low82.4Confident45 Ų4560.3 Ų60.346%0.46436%0.36SS..PPolyproline II helixtrans-63.4160.8174.500000111.9Q64G62-Q64 PolarHBondContact O-N 3.44Å; G62-Q64 PolarHBondContact O-NE2 2.87Å
63A77.4Confident82.4Confident40 Ų4063.9 Ų63.933%0.33138%0.38SS..PPolyproline II helixtrans-51.4134.3-179.200000112.9W10 S11W10-A63 HydrophobicContact CZ2-CB 4.03Å; S11-A63 PolarHBondContact O-N 3.42Å
64Q82.8Confident82.5Confident110 Ų11064.1 Ų64.151%0.51438%0.38SS..PPolyproline II helixtrans-91155.2170.2-60.4-57.5-54.200109.6G62 E66 D67G62-Q64 PolarHBondContact O-N 3.44Å; G62-Q64 PolarHBondContact O-NE2 2.87Å; Q64-E66 PolarHBondContact O-N 3.44Å; Q64-D67 PolarHBondContact N-OD2 3.3Å; Q64-D67 WeakPolarHBondContact O-CB 2.98Å; Q64-D67 PolarHBondContact O-N 3.01Å; Q64-D67 VanDerWaalsContact O-N 3.08Å
65A82.1Confident82.6Confident97 Ų9774.3 Ų74.380%0.80242%0.419SS*.G310 helixtrans-60.2-29.3179.300000112.9D67A65-D67 VanDerWaalsContact C-N 3.26Å; A65-D67 PolarHBondContact O-N 2.98Å
66E83.7Confident83.1Confident106 Ų10673.8 Ų73.850%0.49542%0.418SS..G310 helixtrans-73.4-15.8179.9-57.7-176.2172.400113.3Q64 L68Q64-E66 PolarHBondContact O-N 3.44Å; E66-L68 VanDerWaalsContact C-N 3.26Å; E66-L68 PolarHBondContact O-N 3.43Å
67D89.5Confident83.8Confident4 Ų475.1 Ų75.12%0.02143%0.427CS..G310 helixtrans-69.8-26.9178.2-63.5-40.2000111.7W10 F52 S53 H55 Q64 A65 L69W10-D67 HydrophobicContact CZ2-CB 4.07Å; W10-D67 PolarHBondContact NE1-OD2 2.63Å; F52-D67 CarbonylContact C-O 3.51Å; F52-D67 WeakPolarHBondContact CA-O 3.41Å; F52-D67 WeakPolarHBondContact CB-O 3.43Å; S53-D67 PolarHBondContact N-O 3.22Å; H55-D67 PolarHBondContact N-OD1 2.96Å; Q64-D67 PolarHBondContact N-OD2 3.3Å; Q64-D67 WeakPolarHBondContact O-CB 2.98Å; Q64-D67 PolarHBondContact O-N 3.01Å; Q64-D67 VanDerWaalsContact O-N 3.08Å; A65-D67 VanDerWaalsContact C-N 3.26Å; A65-D67 PolarHBondContact O-N 2.98Å; D67-L69 PolarHBondContact O-N 2.88Å
68L91.4Very high85.1Confident63 Ų6370.6 Ų70.633%0.3339%0.39SS..EExtended strand (participates in β ladder)trans-86.6106.6178-179.970.3000109.9R50 F52 E66 L70 E71R50-L68 HydrophobicContact CB-CD1 4.17Å; R50-L68 HydrophobicContact CG-CD1 4.43Å; F52-L68 HydrophobicContact CD1-CB 4.06Å; F52-L68 HydrophobicContact CD1-CD1 3.85Å; F52-L68 HydrophobicContact CE1-CB 3.97Å; F52-L68 HydrophobicContact CE1-CD1 3.4Å; F52-L68 VanDerWaalsContact CE1-CD1 3.4Å; F52-L68 HydrophobicContact CE1-CG 4.24Å; F52-L68 HydrophobicContact CE2-CD1 4.23Å; F52-L68 HydrophobicContact CG-CD1 4.44Å; F52-L68 HydrophobicContact CZ-CD1 3.61Å; E66-L68 VanDerWaalsContact C-N 3.26Å; E66-L68 PolarHBondContact O-N 3.43Å; L68-L70 WeakPolarHBondContact CD1-O 3.31Å; L68-E71 HydrophobicContact CD1-CB 4.37Å; L68-E71 HydrophobicContact CD2-CB 4.11Å
69L90.5Very high86.3Confident57 Ų5764.9 Ų64.930%0.29837%0.366SS..EExtended strand (participates in β ladder)trans-74.3-40.8179.4-64.5-179.1000112.5K39 I51 D67 C121K39-L69 HydrophobicContact CD-CD1 3.73Å; K39-L69 HydrophobicContact CG-CD1 4.35Å; I51-L69 HydrophobicContact CB-CB 4.47Å; I51-L69 HydrophobicContact CG2-CD1 4.06Å; I51-L69 WeakPolarHBondContact O-CB 3.41Å; I51-L69 PolarHBondContact O-N 2.87Å; D67-L69 PolarHBondContact O-N 2.88Å; L69-C121 HydrophobicContact CB-CB 4.18Å; L69-C121 WeakPolarHBondContact O-CB 3.44Å
70L91.7Very high87.7Confident15 Ų1561.3 Ų61.38%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-157.2150.4174.367.790.9000111.1R50 I51 L68 V72 V108 C121 M123R50-L70 WeakPolarHBondContact CA-O 3.43Å; I51-L70 HydrophobicContact CB-CG 4.09Å; I51-L70 HydrophobicContact CD1-CD1 4.22Å; I51-L70 HydrophobicContact CD1-CD2 3.76Å; I51-L70 HydrophobicContact CD1-CG 4.05Å; I51-L70 HydrophobicContact CG1-CD1 4.01Å; I51-L70 HydrophobicContact CG1-CD2 4.24Å; I51-L70 HydrophobicContact CG1-CG 3.96Å; I51-L70 PolarHBondContact N-O 3.49Å; I51-L70 PolarHBondContact O-N 3.42Å; L68-L70 WeakPolarHBondContact CD1-O 3.31Å; L70-V72 HydrophobicContact CD1-CG2 3.85Å; L70-V108 HydrophobicContact CD2-CG1 4.25Å; L70-C121 HydrophobicContact CB-CB 4.43Å; L70-C121 HydrophobicContact CD2-CB 4.14Å; L70-M123 HydrophobicContact CD2-CB 4.38Å
71E93.3Very high89.2Confident101 Ų10159.6 Ų59.647%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-132.9123.3166.1177.5173.5103.400107.8Y48 L49 R50 L68Y48-E71 HydrophobicContact CD1-CG 4.45Å; L49-E71 WeakPolarHBondContact O-CA 3.31Å; R50-E71 HydrophobicContact CG-CB 4.26Å; R50-E71 HydrophobicContact CG-CG 3.97Å; R50-E71 IonicContact CZ-OE2 3.27Å; R50-E71 IonicContact NE-OE2 2.81Å; R50-E71 PolarHBondContact NE-OE2 2.89Å; R50-E71 IonicContact NH2-OE2 2.63Å; R50-E71 PolarHBondContact NH2-OE2 2.83Å; L68-E71 HydrophobicContact CD1-CB 4.37Å; L68-E71 HydrophobicContact CD2-CB 4.11Å
72V94.3Very high90.8Very high50 Ų5058 Ų5830%0.30332%0.316SS..EExtended strand (participates in β ladder)trans-132130.9-178.1179.10000109.5Y48 L49 L70 L74 M123Y48-V72 WeakPolarHBondContact CA-O 3.08Å; L49-V72 PolarHBondContact N-O 2.87Å; L49-V72 PolarHBondContact O-N 3.48Å; L70-V72 HydrophobicContact CD1-CG2 3.85Å; V72-L74 HydrophobicContact CG1-CD2 3.97Å; V72-M123 HydrophobicContact CB-CE 4.13Å; V72-M123 HydrophobicContact CG1-CE 3.92Å; V72-M123 HydrophobicContact CG2-CE 4.22Å
73D94.7Very high92.1Very high88 Ų8856.3 Ų56.347%0.47130%0.296SS..EExtended strand (participates in β ladder)trans-86.4111.1169.3177.310000110.3Y48 R75Y48-D73 HydrophobicContact CD1-CB 4.09Å; Y48-D73 HydrophobicContact CE1-CB 3.96Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 3.49Å
74L94.5Very high93Very high17 Ų1754.5 Ų54.59%0.08928%0.281CS..  trans-87.21179-62.5178.6000113.6G47 L49 V72 D76 V78 V97 K102 M123G47-L74 WeakPolarHBondContact O-CB 2.94Å; G47-L74 PolarHBondContact O-N 3.48Å; L49-L74 HydrophobicContact CB-CD1 3.96Å; L49-L74 HydrophobicContact CB-CG 4.38Å; L49-L74 HydrophobicContact CD2-CD1 4.11Å; V72-L74 HydrophobicContact CG1-CD2 3.97Å; L74-D76 PolarHBondContact O-N 3.21Å; L74-V78 HydrophobicContact CD1-CG2 4.08Å; L74-V97 HydrophobicContact CD1-CG1 3.87Å; L74-K102 PolarHBondContact O-NZ 3.38Å; L74-M123 HydrophobicContact CD2-CE 3.79Å
75R92Very high93.6Very high216 Ų21651.8 Ų51.882%0.81527%0.268SS*.SBendtrans67.2-30.3179.7-52.4-179.9178.4-178.2-1.2116.6D73D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 3.49Å
76D94.7Very high94.3Very high71 Ų7147.2 Ų47.238%0.3823%0.23SC..SBendtrans-106144.1178.9-64.5-43.3000110.5G47 L74 V78 H99 K102G47-D76 VanDerWaalsContact CA-O 3.28Å; G47-D76 WeakPolarHBondContact CA-O 3.34Å; L74-D76 PolarHBondContact O-N 3.21Å; D76-V78 PolarHBondContact O-N 2.86Å; D76-H99 HydrophobicContact CB-CB 4.38Å; D76-H99 PolarHBondContact O-CE1 3.34Å; D76-H99 PolarHBondContact O-ND1 2.94Å; D76-K102 WeakPolarHBondContact OD2-CE 3.32Å; D76-K102 IonicContact OD2-NZ 2.89Å; D76-K102 PolarHBondContact OD2-NZ 2.91Å
77P96.4Very high94.9Very high51 Ų5142.7 Ų42.733%0.33121%0.209SC..  trans-50.8134.8177.1-27.934000113.1F45 H99F45-P77 VanDerWaalsContact O-CA 3.3Å; F45-P77 WeakPolarHBondContact O-CA 3.4Å; F45-P77 WeakPolarHBondContact O-CB 3.48Å; F45-P77 VanDerWaalsContact O-CG 3.28Å; F45-P77 WeakPolarHBondContact O-CG 3.3Å; P77-H99 WeakPolarHBondContact O-CA 3.38Å; P77-H99 WeakPolarHBondContact O-CB 3.42Å; P77-H99 PolarHBondContact O-ND1 3.33Å
78V97.6Very high95.1Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-94.8108.5176179.40000109.3S44 F45 L74 D76 V81 V97S44-V78 WeakPolarHBondContact O-CB 3.3Å; S44-V78 PolarHBondContact O-N 2.88Å; F45-V78 VanDerWaalsContact CD1-O 3.32Å; F45-V78 WeakPolarHBondContact CD1-O 3.47Å; L74-V78 HydrophobicContact CD1-CG2 4.08Å; D76-V78 PolarHBondContact O-N 2.86Å; V78-V81 HydrophobicContact CG1-CG2 3.46Å; V78-V81 VanDerWaalsContact CG1-CG2 3.46Å; V78-V97 HydrophobicContact CB-CG1 4.34Å; V78-V97 HydrophobicContact CG1-CG1 3.63Å; V78-V97 HydrophobicContact CG2-CG1 3.88Å
79L97.1Very high95Very high32 Ų3246.5 Ų46.517%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-80.7-42.5-178.6-60.6-179.4000112.5F45 L98 A135F45-L79 HydrophobicContact CD1-CD2 4.47Å; F45-L79 HydrophobicContact CE1-CD2 4.02Å; L79-L98 PolarHBondContact N-O 2.78Å; L79-A135 HydrophobicContact CD1-CB 4.42Å; L79-A135 WeakPolarHBondContact CD1-O 3.33Å
80Q98Very high95Very high19 Ų1946 Ų469%0.08926%0.255CS..EExtended strand (participates in β ladder)trans-151.5145.1-178.6-173.9172.8-6.700111.3G23 E82 L98 M138G23-Q80 CarbonylContact O-C 3.59Å; G23-Q80 VanDerWaalsContact O-CA 3.31Å; G23-Q80 WeakPolarHBondContact O-CA 3.43Å; Q80-E82 HydrophobicContact CG-CG 4.27Å; Q80-E82 PolarHBondContact NE2-OE1 3.4Å; Q80-L98 HydrophobicContact CB-CB 4.23Å; Q80-L98 HydrophobicContact CB-CD2 4.34Å; Q80-L98 PolarHBondContact N-O 2.85Å; Q80-L98 PolarHBondContact O-N 3.01Å; Q80-M138 HydrophobicContact CB-CE 4.42Å; Q80-M138 HydrophobicContact CG-CE 4.23Å; Q80-M138 HydrophobicContact CG-CG 4.3Å; Q80-M138 PolarHBondContact NE2-O 2.95Å; Q80-M138 PolarHBondContact OE1-O 2.98Å
81V97.9Very high95Very high2 Ų251.6 Ų51.61%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-125.3127.3177.2-1750000109.7G23 C26 I41 L49 V78 L95 A96G23-V81 PolarHBondContact O-N 3.23Å; C26-V81 HydrophobicContact CB-CG1 4.47Å; I41-V81 HydrophobicContact CG2-CG1 3.67Å; L49-V81 HydrophobicContact CD1-CG2 4.14Å; V78-V81 HydrophobicContact CG1-CG2 3.46Å; V78-V81 VanDerWaalsContact CG1-CG2 3.46Å; V81-L95 HydrophobicContact CG1-CD1 3.29Å; V81-L95 HydrophobicContact CG1-CG 4.2Å; V81-A96 WeakPolarHBondContact CA-O 3.29Å
82E97.5Very high95Very high35 Ų3551.3 Ų51.316%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-132.8154.5178.2-69.9-68178.800111.2Q80 F86 A96 M138 Y140Q80-E82 HydrophobicContact CG-CG 4.27Å; Q80-E82 PolarHBondContact NE2-OE1 3.4Å; E82-F86 HydrophobicContact CB-CE2 4.32Å; E82-F86 HydrophobicContact CB-CZ 4.08Å; E82-A96 PolarHBondContact N-O 3.39Å; E82-A96 PolarHBondContact O-N 3.33Å; E82-M138 HydrophobicContact CB-CE 3.83Å; E82-M138 HydrophobicContact CG-CE 3.7Å; E82-Y140 HydrophobicContact CB-CD1 4.12Å; E82-Y140 HydrophobicContact CB-CE1 4.18Å; E82-Y140 HydrophobicContact CG-CD1 4.02Å; E82-Y140 HydrophobicContact CG-CE1 4.13Å; E82-Y140 WeakPolarHBondContact OE2-CE1 3.39Å
83V97.2Very high95.1Very high9 Ų951.2 Ų51.26%0.05528%0.278CS..EExtended strand (participates in β ladder)trans-125124.3177.3177.90000110A28 V30 I41 L93 H94 L95A28-V83 HydrophobicContact CB-CB 3.6Å; A28-V83 HydrophobicContact CB-CG1 3.58Å; A28-V83 HydrophobicContact CB-CG2 3.94Å; V30-V83 HydrophobicContact CB-CG1 4.46Å; V30-V83 HydrophobicContact CB-CG2 4.24Å; V30-V83 HydrophobicContact CG2-CG1 4.46Å; V30-V83 HydrophobicContact CG2-CG2 3.99Å; I41-V83 HydrophobicContact CD1-CG2 3.49Å; I41-V83 VanDerWaalsContact CD1-CG2 3.49Å; V83-L93 HydrophobicContact CG1-CB 3.76Å; V83-L93 HydrophobicContact CG1-CD1 4.19Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; V83-H94 WeakPolarHBondContact CA-O 3.39Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å
84G95.8Very high95.2Very high2 Ų247.4 Ų47.42%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-169.7-177.8-174.500000113.4F86 H94G84-F86 PolarHBondContact O-N 3.23Å; G84-H94 PolarHBondContact N-O 3.03Å; G84-H94 VanDerWaalsContact N-O 3.07Å; G84-H94 PolarHBondContact O-N 3.17Å
85K96.3Very high95.4Very high52 Ų5246.6 Ų46.623%0.22625%0.253CS..  trans-82.164.3179.8-60-176.9179.5-172.80111.5E91 L93 D150 Q166K85-E91 HydrophobicContact CD-CB 4.34Å; K85-E91 WeakPolarHBondContact CE-O 3.29Å; K85-E91 IonicContact NZ-OE2 2.9Å; K85-E91 PolarHBondContact NZ-OE2 2.85Å; K85-L93 HydrophobicContact CG-CD2 4.38Å; K85-D150 HydrophobicContact CB-CB 4.26Å; K85-D150 WeakPolarHBondContact CB-OD2 3.36Å; K85-D150 PolarHBondContact N-OD2 2.82Å; K85-D150 PolarHBondContact O-N 3.22Å; K85-Q166 PolarHBondContact O-NE2 2.95Å
86F96.8Very high95.6Very high1 Ų136.3 Ų36.30%0.00422%0.215CC..  trans-86.7-0.8-170.2-56.6-46.1000115.8E82 G84 H94 A96 V105 Y127 Y140 D150 I152 Q166E82-F86 HydrophobicContact CB-CE2 4.32Å; E82-F86 HydrophobicContact CB-CZ 4.08Å; G84-F86 PolarHBondContact O-N 3.23Å; F86-H94 HydrophobicContact CB-CB 4.45Å; F86-H94 HydrophobicContact CD2-CB 4.46Å; F86-H94 WeakPolarHBondContact CD2-O 3.24Å; F86-A96 HydrophobicContact CD2-CB 3.57Å; F86-A96 HydrophobicContact CE2-CB 3.41Å; F86-A96 VanDerWaalsContact CE2-CB 3.41Å; F86-A96 HydrophobicContact CG-CB 4.38Å; F86-A96 HydrophobicContact CZ-CB 4.14Å; F86-V105 HydrophobicContact CB-CG1 3.89Å; F86-V105 HydrophobicContact CB-CG2 4.36Å; F86-Y127 VanDerWaalsContact O-CE1 3.25Å; F86-Y127 WeakPolarHBondContact O-CE1 3.44Å; F86-Y127 PolarHBondContact O-OH 3.47Å; F86-Y140 AromaticContact CE1-CD2 3.99Å; F86-Y140 HydrophobicContact CE1-CD2 3.99Å; F86-Y140 AromaticContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CZ-CD1 4.3Å; F86-Y140 HydrophobicContact CZ-CD2 4.21Å; F86-Y140 AromaticContact CZ-CG 3.98Å; F86-Y140 HydrophobicContact CZ-CG 3.98Å; F86-D150 HydrophobicContact CD1-CB 3.94Å; F86-D150 HydrophobicContact CE1-CB 3.82Å; F86-I152 HydrophobicContact CD1-CD1 3.65Å; F86-I152 HydrophobicContact CD1-CG1 3.72Å; F86-I152 HydrophobicContact CD2-CD1 4.46Å; F86-I152 HydrophobicContact CE1-CD1 3.87Å; F86-I152 HydrophobicContact CE1-CG1 3.69Å; F86-I152 HydrophobicContact CG-CD1 3.99Å; F86-I152 HydrophobicContact CZ-CD1 4.35Å; F86-I152 HydrophobicContact CZ-CG1 4.46Å; F86-Q166 WeakPolarHBondContact O-CB 3.41Å; F86-Q166 WeakPolarHBondContact O-CG 3.44Å
87V96Very high95.8Very high11 Ų1133 Ų337%0.06720%0.196CC..SBendtrans-117.2135.6-178.7178.40000109.9T90 H94 V105 M126 Y127 Q166V87-T90 HydrophobicContact CB-CG2 3.82Å; V87-T90 HydrophobicContact CG1-CG2 3.85Å; V87-H94 HydrophobicContact CG2-CB 4.32Å; V87-H94 VanDerWaalsContact CG2-CD2 3.46Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.23Å; V87-V105 HydrophobicContact CG2-CG1 4.1Å; V87-M126 HydrophobicContact CG1-CE 4.18Å; V87-M126 HydrophobicContact CG2-CB 4.12Å; V87-M126 HydrophobicContact CG2-CE 4.48Å; V87-M126 HydrophobicContact CG2-CG 4.25Å; V87-Y127 HydrophobicContact CG2-CD1 4.49Å; V87-Y127 HydrophobicContact CG2-CE1 4.08Å; V87-Q166 PolarHBondContact O-NE2 3.01Å
88S92.7Very high95.9Very high59 Ų5930.5 Ų30.541%0.41318%0.181SC..THydrogen-bonded Turntrans-69.3144.7177.965.60000111.7T90 Q166 E167S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 2.83Å; S88-Q166 VanDerWaalsContact CB-OE1 3.28Å; S88-E167 WeakPolarHBondContact CB-OE1 3.33Å; S88-E167 VanDerWaalsContact CB-OE2 3.26Å; S88-E167 WeakPolarHBondContact CB-OE2 3.41Å; S88-E167 PolarHBondContact N-OE1 3.13Å; S88-E167 PolarHBondContact OG-OE1 3.36Å; S88-E167 PolarHBondContact OG-OE2 3.02Å; S88-E167 VanDerWaalsContact OG-OE2 3.07Å
89G89.1Confident95.9Very high89 Ų8930.6 Ų30.692%0.91818%0.181SC*.THydrogen-bonded Turntrans79.7-0.9176.700000115.9
90T92.1Very high95.9Very high46 Ų4631 Ų3128%0.28219%0.186SC..  trans-135.1146.4174.7179.20000110.7V87 S88 M92 H94V87-T90 HydrophobicContact CB-CG2 3.82Å; V87-T90 HydrophobicContact CG1-CG2 3.85Å; S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 2.83Å; T90-M92 WeakPolarHBondContact OG1-CB 3.3Å; T90-M92 VanDerWaalsContact OG1-CG 3.24Å; T90-M92 WeakPolarHBondContact OG1-CG 3.32Å; T90-M92 PolarHBondContact OG1-N 2.92Å; T90-H94 VanDerWaalsContact CG2-CE1 3.48Å; T90-H94 WeakPolarHBondContact CG2-CE1 3.31Å
91E91.1Very high95.9Very high133 Ų13336.4 Ų36.462%0.62121%0.206SC*.  trans-98.87.2173-68.7-156.7-157.900112.9K85K85-E91 HydrophobicContact CD-CB 4.34Å; K85-E91 WeakPolarHBondContact CE-O 3.29Å; K85-E91 IonicContact NZ-OE2 2.9Å; K85-E91 PolarHBondContact NZ-OE2 2.85Å
92M93.7Very high95.8Very high95 Ų9537.8 Ų37.847%0.46821%0.212SC..SBendtrans-70149.7176.8-60-70.9-83.500110.6N32 T90 H94N32-M92 HydrophobicContact CB-CE 3.26Å; N32-M92 HydrophobicContact CB-SD 4.2Å; T90-M92 WeakPolarHBondContact OG1-CB 3.3Å; T90-M92 VanDerWaalsContact OG1-CG 3.24Å; T90-M92 WeakPolarHBondContact OG1-CG 3.32Å; T90-M92 PolarHBondContact OG1-N 2.92Å; M92-H94 PolarHBondContact O-CE1 2.79Å; M92-H94 PolarHBondContact O-ND1 3.02Å
93L95.6Very high95.8Very high48 Ų4836.1 Ų36.125%0.25120%0.204SC..  trans-75136.4175.3-60-179.8000110.4N29 N32 V83 K85N29-L93 HydrophobicContact CB-CD1 4.5Å; N32-L93 PolarHBondContact ND2-O 3Å; N32-L93 WeakPolarHBondContact OD1-CB 3.31Å; N32-L93 PolarHBondContact OD1-N 2.66Å; V83-L93 HydrophobicContact CG1-CB 3.76Å; V83-L93 HydrophobicContact CG1-CD1 4.19Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; K85-L93 HydrophobicContact CG-CD2 4.38Å
94H97.3Very high95.8Very high8 Ų835.7 Ų35.74%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-128.5155.6178.6-65.876.5000109.5V83 G84 F86 V87 T90 M92 V105V83-H94 WeakPolarHBondContact CA-O 3.39Å; G84-H94 PolarHBondContact N-O 3.03Å; G84-H94 VanDerWaalsContact N-O 3.07Å; G84-H94 PolarHBondContact O-N 3.17Å; F86-H94 HydrophobicContact CB-CB 4.45Å; F86-H94 HydrophobicContact CD2-CB 4.46Å; F86-H94 WeakPolarHBondContact CD2-O 3.24Å; V87-H94 HydrophobicContact CG2-CB 4.32Å; V87-H94 VanDerWaalsContact CG2-CD2 3.46Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.23Å; T90-H94 VanDerWaalsContact CG2-CE1 3.48Å; T90-H94 WeakPolarHBondContact CG2-CE1 3.31Å; M92-H94 PolarHBondContact O-CE1 2.79Å; M92-H94 PolarHBondContact O-ND1 3.02Å; H94-V105 HydrophobicContact CB-CG1 3.96Å
95L97.6Very high95.9Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-95.3114.3-178.4-175.364.9000110.2V30 I41 L49 I51 V81 V83 V97 V105 Y106 V108 M123V30-L95 HydrophobicContact CG2-CB 3.98Å; V30-L95 HydrophobicContact CG2-CD1 4.24Å; I41-L95 HydrophobicContact CD1-CD1 4.14Å; I41-L95 HydrophobicContact CG2-CD1 4.08Å; I41-L95 HydrophobicContact CG2-CD2 4.46Å; L49-L95 HydrophobicContact CD1-CD2 4.43Å; L49-L95 HydrophobicContact CD2-CD2 3.73Å; I51-L95 HydrophobicContact CD1-CD2 4.38Å; V81-L95 HydrophobicContact CG1-CD1 3.29Å; V81-L95 HydrophobicContact CG1-CG 4.2Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å; L95-V97 HydrophobicContact CD2-CG2 4.24Å; L95-V97 HydrophobicContact CG-CG2 4.07Å; L95-V105 CarbonylContact O-C 3.52Å; L95-V105 WeakPolarHBondContact O-CA 3.17Å; L95-Y106 PolarHBondContact N-O 3.41Å; L95-Y106 PolarHBondContact O-N 3.19Å; L95-V108 HydrophobicContact CB-CG2 4.29Å; L95-V108 HydrophobicContact CD2-CG2 4.21Å; L95-M123 HydrophobicContact CD2-SD 4.47Å
96A98Very high95.9Very high0 Ų034.2 Ų34.20%019%0.194CC..EExtended strand (participates in β ladder)trans-93.1128.2169.600000109.9V81 E82 F86 L103 V105 M138 I152V81-A96 WeakPolarHBondContact CA-O 3.29Å; E82-A96 PolarHBondContact N-O 3.39Å; E82-A96 PolarHBondContact O-N 3.33Å; F86-A96 HydrophobicContact CD2-CB 3.57Å; F86-A96 HydrophobicContact CE2-CB 3.41Å; F86-A96 VanDerWaalsContact CE2-CB 3.41Å; F86-A96 HydrophobicContact CG-CB 4.38Å; F86-A96 HydrophobicContact CZ-CB 4.14Å; A96-L103 HydrophobicContact CB-CD1 4.29Å; A96-V105 HydrophobicContact CB-CG2 4.15Å; A96-M138 HydrophobicContact CB-CE 3.98Å; A96-I152 HydrophobicContact CB-CD1 3.93Å
97V98.2Very high95.9Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-118.7114.6177.7-173.90000108.1L49 L74 V78 L95 H99 C104 Y106L49-V97 HydrophobicContact CD2-CG2 4.13Å; L74-V97 HydrophobicContact CD1-CG1 3.87Å; V78-V97 HydrophobicContact CB-CG1 4.34Å; V78-V97 HydrophobicContact CG1-CG1 3.63Å; V78-V97 HydrophobicContact CG2-CG1 3.88Å; L95-V97 HydrophobicContact CD2-CG2 4.24Å; L95-V97 HydrophobicContact CG-CG2 4.07Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.37Å; V97-C104 PolarHBondContact N-O 3.41Å; V97-C104 PolarHBondContact O-N 3.22Å; V97-Y106 HydrophobicContact CB-CD2 4.48Å; V97-Y106 HydrophobicContact CB-CE2 4.14Å; V97-Y106 HydrophobicContact CG2-CD2 3.82Å; V97-Y106 HydrophobicContact CG2-CE2 3.86Å
98L98.3Very high95.8Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-92.7124.8176.4-177.266.4000109.7L79 Q80 L131 A135 M138 I154L79-L98 PolarHBondContact N-O 2.78Å; Q80-L98 HydrophobicContact CB-CB 4.23Å; Q80-L98 HydrophobicContact CB-CD2 4.34Å; Q80-L98 PolarHBondContact N-O 2.85Å; Q80-L98 PolarHBondContact O-N 3.01Å; L98-L131 HydrophobicContact CD1-CD1 4.05Å; L98-A135 HydrophobicContact CD1-CB 3.85Å; L98-A135 HydrophobicContact CD2-CB 4.1Å; L98-A135 HydrophobicContact CG-CB 4.16Å; L98-M138 HydrophobicContact CB-CE 3.97Å; L98-M138 HydrophobicContact CB-CG 4.47Å; L98-M138 HydrophobicContact CB-SD 3.94Å; L98-M138 HydrophobicContact CD2-CB 4Å; L98-M138 HydrophobicContact CD2-CG 4Å; L98-M138 HydrophobicContact CD2-SD 4.38Å; L98-I154 HydrophobicContact CD1-CD1 3.61Å; L98-I154 HydrophobicContact CD1-CG1 4.1Å; L98-I154 HydrophobicContact CD1-CG2 4.17Å
99H97.9Very high95.7Very high2 Ų234.8 Ų34.81%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-111.6173.3167.6-54.6-93.4000109.4D76 P77 V97 R101 K102D76-H99 HydrophobicContact CB-CB 4.38Å; D76-H99 PolarHBondContact O-CE1 3.34Å; D76-H99 PolarHBondContact O-ND1 2.94Å; P77-H99 WeakPolarHBondContact O-CA 3.38Å; P77-H99 WeakPolarHBondContact O-CB 3.42Å; P77-H99 PolarHBondContact O-ND1 3.33Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.37Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-R101 VanDerWaalsContact O-N 3.16Å; H99-K102 HydrophobicContact CB-CD 4.45Å; H99-K102 HydrophobicContact CB-CG 3.6Å; H99-K102 WeakPolarHBondContact CD2-CE 3.32Å; H99-K102 PolarHBondContact N-O 2.87Å; H99-K102 VanDerWaalsContact NE2-CE 3.31Å; H99-K102 WeakPolarHBondContact NE2-CE 3.39Å
100S97Very high95.3Very high40 Ų4033 Ų3328%0.2818%0.181SC..SBendtrans-53.5-39.2179.4-56.30000113.7T134 A135S100-T134 CarbonylContact O-C 3.55Å; S100-T134 WeakPolarHBondContact O-CA 3.46Å; S100-A135 PolarHBondContact O-N 3.07Å
101R96.9Very high94.8Very high133 Ų13334.6 Ų34.650%0.50219%0.19SC..SBendtrans-130.412.2-174.9-61.8-160.869.2121.47115H99 L131 Q132H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-R101 VanDerWaalsContact O-N 3.16Å; R101-L131 PolarHBondContact NH2-O 2.76Å; R101-L131 WeakPolarHBondContact O-CB 3.46Å; R101-L131 PolarHBondContact O-N 2.64Å; R101-Q132 PolarHBondContact NH2-O 3.09Å
102K96Very high94.1Very high30 Ų3035.5 Ų35.513%0.1320%0.199CC..EExtended strand (participates in β ladder)trans-149.7145.9178.762179.5-165.3-168.10110.4L74 D76 H99 H129L74-K102 PolarHBondContact O-NZ 3.38Å; D76-K102 WeakPolarHBondContact OD2-CE 3.32Å; D76-K102 IonicContact OD2-NZ 2.89Å; D76-K102 PolarHBondContact OD2-NZ 2.91Å; H99-K102 HydrophobicContact CB-CD 4.45Å; H99-K102 HydrophobicContact CB-CG 3.6Å; H99-K102 WeakPolarHBondContact CD2-CE 3.32Å; H99-K102 PolarHBondContact N-O 2.87Å; H99-K102 VanDerWaalsContact NE2-CE 3.31Å; H99-K102 WeakPolarHBondContact NE2-CE 3.39Å; K102-H129 CarbonylContact C-O 3.53Å; K102-H129 VanDerWaalsContact CA-O 3.29Å; K102-H129 WeakPolarHBondContact CA-O 3.11Å
103L97.7Very high93.3Very high0 Ų032.3 Ų32.30%019%0.19CC..EExtended strand (participates in β ladder)trans-112.8120.2166.8168.969.5000107.3A96 E128 H129 M138 I152 I154A96-L103 HydrophobicContact CB-CD1 4.29Å; L103-E128 CarbonylContact O-C 3.59Å; L103-E128 WeakPolarHBondContact O-CA 3.39Å; L103-H129 HydrophobicContact CB-CB 4.32Å; L103-H129 PolarHBondContact N-O 3.25Å; L103-H129 PolarHBondContact O-N 3.05Å; L103-M138 HydrophobicContact CD1-SD 4.02Å; L103-I152 HydrophobicContact CD1-CD1 4.37Å; L103-I152 HydrophobicContact CD2-CD1 4Å; L103-I152 HydrophobicContact CD2-CG2 4.35Å; L103-I154 HydrophobicContact CB-CD1 3.95Å; L103-I154 HydrophobicContact CD2-CD1 4Å; L103-I154 HydrophobicContact CG-CD1 4.38Å
104C97.7Very high92.3Very high0 Ų038.5 Ų38.50%022%0.223CC..EExtended strand (participates in β ladder)trans-114.1130.3180-59.30000109.1V97 Y106 L125V97-C104 PolarHBondContact N-O 3.41Å; V97-C104 PolarHBondContact O-N 3.22Å; C104-Y106 HydrophobicContact CB-CD2 4.27Å; C104-Y106 HydrophobicContact CB-CE2 3.39Å; C104-L125 HydrophobicContact CB-CD1 3.93Å
105V97.8Very high91.2Very high0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-112.9125.4175.4177.20000109.8F86 V87 H94 L95 A96 M126 Y127F86-V105 HydrophobicContact CB-CG1 3.89Å; F86-V105 HydrophobicContact CB-CG2 4.36Å; V87-V105 HydrophobicContact CG2-CG1 4.1Å; H94-V105 HydrophobicContact CB-CG1 3.96Å; L95-V105 CarbonylContact O-C 3.52Å; L95-V105 WeakPolarHBondContact O-CA 3.17Å; A96-V105 HydrophobicContact CB-CG2 4.15Å; V105-M126 WeakPolarHBondContact O-CB 3.41Å; V105-M126 PolarHBondContact O-N 3.49Å; V105-Y127 HydrophobicContact CB-CD1 3.95Å; V105-Y127 HydrophobicContact CB-CD2 4.43Å; V105-Y127 HydrophobicContact CB-CE1 3.56Å; V105-Y127 HydrophobicContact CB-CE2 4.07Å; V105-Y127 HydrophobicContact CB-CG 4.39Å; V105-Y127 HydrophobicContact CG1-CD1 4.33Å; V105-Y127 HydrophobicContact CG1-CE1 3.73Å; V105-Y127 HydrophobicContact CG2-CD2 4.4Å; V105-Y127 HydrophobicContact CG2-CE1 3.83Å; V105-Y127 HydrophobicContact CG2-CE2 3.64Å; V105-Y127 WeakPolarHBondContact CG2-OH 3.42Å; V105-Y127 PolarHBondContact N-O 3.3Å; V105-Y127 PolarHBondContact O-N 2.78Å
106Y97.2Very high89.8Confident23 Ų2348.8 Ų48.89%0.0928%0.277CS..EExtended strand (participates in β ladder)trans-116.7146.6-176-59.3-87.2000111.7L95 V97 C104 M123 K124 L125L95-Y106 PolarHBondContact N-O 3.41Å; L95-Y106 PolarHBondContact O-N 3.19Å; V97-Y106 HydrophobicContact CB-CD2 4.48Å; V97-Y106 HydrophobicContact CB-CE2 4.14Å; V97-Y106 HydrophobicContact CG2-CD2 3.82Å; V97-Y106 HydrophobicContact CG2-CE2 3.86Å; C104-Y106 HydrophobicContact CB-CD2 4.27Å; C104-Y106 HydrophobicContact CB-CE2 3.39Å; Y106-M123 HydrophobicContact CD1-CE 3.95Å; Y106-M123 HydrophobicContact CD1-CG 3.62Å; Y106-M123 HydrophobicContact CD1-SD 3.96Å; Y106-M123 HydrophobicContact CD2-SD 4.13Å; Y106-M123 HydrophobicContact CE1-CE 3.9Å; Y106-M123 HydrophobicContact CE1-CG 4.48Å; Y106-M123 HydrophobicContact CE1-SD 4.46Å; Y106-M123 HydrophobicContact CE2-CE 4.49Å; Y106-M123 HydrophobicContact CG-CE 4.3Å; Y106-M123 HydrophobicContact CG-CG 3.7Å; Y106-M123 HydrophobicContact CG-SD 3.79Å; Y106-K124 CarbonylContact C-O 3.58Å; Y106-K124 VanDerWaalsContact CA-O 3.26Å; Y106-K124 WeakPolarHBondContact CA-O 3.37Å; Y106-L125 HydrophobicContact CD1-CB 3.95Å; Y106-L125 HydrophobicContact CD1-CD1 3.95Å; Y106-L125 HydrophobicContact CE1-CB 3.79Å; Y106-L125 HydrophobicContact CE1-CD1 3.5Å; Y106-L125 HydrophobicContact CE1-CG 4.23Å; Y106-L125 HydrophobicContact CE2-CD1 4.37Å
107S96.2Very high88.5Confident30 Ų3055.5 Ų55.521%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-96126.4162.6-1790000108.3K124S107-K124 PolarHBondContact N-O 3.03Å; S107-K124 PolarHBondContact O-N 3.17Å
108V93.9Very high87.2Confident3 Ų357 Ų572%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-101.7126.5173.7-177.80000107.9V30 I51 L70 L95 C121 M123V30-V108 HydrophobicContact CG2-CB 4.1Å; V30-V108 HydrophobicContact CG2-CG2 3.82Å; I51-V108 HydrophobicContact CD1-CG1 4.02Å; I51-V108 HydrophobicContact CD1-CG2 3.91Å; L70-V108 HydrophobicContact CD2-CG1 4.25Å; L95-V108 HydrophobicContact CB-CG2 4.29Å; L95-V108 HydrophobicContact CD2-CG2 4.21Å; V108-C121 WeakPolarHBondContact CG1-SG 3.11Å; V108-M123 HydrophobicContact CG2-CG 4.42Å
109S89.9Confident86.1Confident51 Ų5160.8 Ų60.836%0.35734%0.343SS..EExtended strand (participates in β ladder)trans-137.8128.2179.8570000110.8Q122S109-Q122 PolarHBondContact N-O 3.35Å; S109-Q122 PolarHBondContact O-N 3.37Å
110G82Confident85.2Confident52 Ų5266.5 Ų66.554%0.53637%0.37SS..EExtended strand (participates in β ladder)trans-87.1130.8172.600000111.9
111T80.3Confident84.6Confident79 Ų7965.9 Ų65.949%0.48537%0.365SS..EExtended strand (participates in β ladder)trans-105.6119.2167.5-55.40000108.4Q120T111-Q120 PolarHBondContact N-O 3.13Å; T111-Q120 PolarHBondContact O-N 2.85Å
112L77.8Confident84.2Confident152 Ų15264.8 Ų64.880%0.79637%0.366SS*.  trans-70.1130.8-180-69.9168.2000110.8N119L112-N119 WeakPolarHBondContact CA-OD1 3.31Å
113G75.3Confident84Confident28 Ų2865.2 Ų65.229%0.28937%0.369SS..  trans-86.9171.9170.500000111.9V115 G118 N119G113-V115 PolarHBondContact O-N 3.14Å; G113-G118 WeakPolarHBondContact CA-O 3.41Å; G113-N119 PolarHBondContact N-OD1 2.76Å
114N75.2Confident83.9Confident177 Ų17772 Ų7295%0.94740%0.398SS*.SBendtrans-70.9-15.7174.5-68.9-10.7000113
115V74.1Confident83.8Confident81 Ų8175.7 Ų75.749%0.49142%0.417SS..SBendtrans-139.5155.2178.9-163.30000107.6G113 H117 G118G113-V115 PolarHBondContact O-N 3.14Å; V115-H117 WeakPolarHBondContact CG1-CE1 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.5Å; V115-G118 PolarHBondContact O-N 3.48Å
116E67.8Low83.8Confident143 Ų14379.4 Ų79.467%0.66844%0.436SS*.G310 helixtrans-56.4-45.6-172.5-66.5-179.4157.200113.3G118 N119E116-G118 PolarHBondContact O-N 3.23Å; E116-G118 VanDerWaalsContact O-N 3.12Å; E116-N119 WeakPolarHBondContact O-CB 3.47Å; E116-N119 VanDerWaalsContact O-CG 3.29Å; E116-N119 PolarHBondContact O-N 3.08Å; E116-N119 PolarHBondContact O-ND2 2.74Å
117H72.4Confident83.8Confident142 Ų14279.5 Ų79.566%0.65744%0.436SS*.G310 helixtrans-69.5-3.5172.857.7-97.8000114.6V115V115-H117 WeakPolarHBondContact CG1-CE1 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å
118G69.8Low83.8Confident30 Ų3082 Ų8231%0.30945%0.445SS..G310 helixtrans-93.5-4.8174.300000113.6G113 V115 E116 Q120G113-G118 WeakPolarHBondContact CA-O 3.41Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.5Å; V115-G118 PolarHBondContact O-N 3.48Å; E116-G118 PolarHBondContact O-N 3.23Å; E116-G118 VanDerWaalsContact O-N 3.12Å; G118-Q120 PolarHBondContact O-N 3.28Å
119N76.1Confident84Confident80 Ų8083.1 Ų83.143%0.42845%0.449SS..  trans-66.1126.8175.9-67-23.5000109.7L112 G113 E116L112-N119 WeakPolarHBondContact CA-OD1 3.31Å; G113-N119 PolarHBondContact N-OD1 2.76Å; E116-N119 WeakPolarHBondContact O-CB 3.47Å; E116-N119 VanDerWaalsContact O-CG 3.29Å; E116-N119 PolarHBondContact O-N 3.08Å; E116-N119 PolarHBondContact O-ND2 2.74Å
120Q78.6Confident84.3Confident122 Ų12286.6 Ų86.657%0.5746%0.464SS*.EExtended strand (participates in β ladder)trans-114123.2179.7-67-175.9-1.300109.7T111 G118T111-Q120 PolarHBondContact N-O 3.13Å; T111-Q120 PolarHBondContact O-N 2.85Å; G118-Q120 PolarHBondContact O-N 3.28Å
121C84.3Confident84.9Confident28 Ų2884.5 Ų84.519%0.18944%0.441CS..EExtended strand (participates in β ladder)trans-95.7127.6170.3-157.80000109.5L69 L70 V108L69-C121 HydrophobicContact CB-CB 4.18Å; L69-C121 WeakPolarHBondContact O-CB 3.44Å; L70-C121 HydrophobicContact CB-CB 4.43Å; L70-C121 HydrophobicContact CD2-CB 4.14Å; V108-C121 WeakPolarHBondContact CG1-SG 3.11Å
122Q87.9Confident85.5Confident109 Ų10987.7 Ų87.751%0.50945%0.45SS..EExtended strand (participates in β ladder)trans-114.3140.2177.4-65.7-175.2200110.1S109S109-Q122 PolarHBondContact N-O 3.35Å; S109-Q122 PolarHBondContact O-N 3.37Å
123M92.8Very high86.2Confident40 Ų4082.9 Ų82.920%0.19742%0.421CS..EExtended strand (participates in β ladder)trans-112.7117.4175-173.8176.272.700109L49 L70 V72 L74 L95 Y106 V108L49-M123 HydrophobicContact CD2-CE 4.09Å; L49-M123 HydrophobicContact CD2-SD 3.49Å; L49-M123 WeakPolarHBondContact CD2-SD 3.18Å; L70-M123 HydrophobicContact CD2-CB 4.38Å; V72-M123 HydrophobicContact CB-CE 4.13Å; V72-M123 HydrophobicContact CG1-CE 3.92Å; V72-M123 HydrophobicContact CG2-CE 4.22Å; L74-M123 HydrophobicContact CD2-CE 3.79Å; L95-M123 HydrophobicContact CD2-SD 4.47Å; Y106-M123 HydrophobicContact CD1-CE 3.95Å; Y106-M123 HydrophobicContact CD1-CG 3.62Å; Y106-M123 HydrophobicContact CD1-SD 3.96Å; Y106-M123 HydrophobicContact CD2-SD 4.13Å; Y106-M123 HydrophobicContact CE1-CE 3.9Å; Y106-M123 HydrophobicContact CE1-CG 4.48Å; Y106-M123 HydrophobicContact CE1-SD 4.46Å; Y106-M123 HydrophobicContact CE2-CE 4.49Å; Y106-M123 HydrophobicContact CG-CE 4.3Å; Y106-M123 HydrophobicContact CG-CG 3.7Å; Y106-M123 HydrophobicContact CG-SD 3.79Å; V108-M123 HydrophobicContact CG2-CG 4.42Å
124K94.5Very high87.3Confident141 Ų14184.5 Ų84.561%0.61343%0.425SS*.EExtended strand (participates in β ladder)trans-111.7123.7-178.3-177-177.7177-174.40110.3Y106 S107 M126Y106-K124 CarbonylContact C-O 3.58Å; Y106-K124 VanDerWaalsContact CA-O 3.26Å; Y106-K124 WeakPolarHBondContact CA-O 3.37Å; S107-K124 PolarHBondContact N-O 3.03Å; S107-K124 PolarHBondContact O-N 3.17Å; K124-M126 PolarHBondContact O-N 3.41Å
125L96.4Very high88.3Confident78 Ų7876.1 Ų76.141%0.40838%0.381SS..EExtended strand (participates in β ladder)trans-65.5123.5173.1-174.969.3000109.7C104 Y106 Y127C104-L125 HydrophobicContact CB-CD1 3.93Å; Y106-L125 HydrophobicContact CD1-CB 3.95Å; Y106-L125 HydrophobicContact CD1-CD1 3.95Å; Y106-L125 HydrophobicContact CE1-CB 3.79Å; Y106-L125 HydrophobicContact CE1-CD1 3.5Å; Y106-L125 HydrophobicContact CE1-CG 4.23Å; Y106-L125 HydrophobicContact CE2-CD1 4.37Å; L125-Y127 WeakPolarHBondContact CD1-O 3.36Å
126M96.6Very high89.4Confident78 Ų7874.1 Ų74.138%0.38437%0.37SS..EExtended strand (participates in β ladder)trans-92.1-48.1178.6-63.2-59.2-69.100110.9V87 V105 K124V87-M126 HydrophobicContact CG1-CE 4.18Å; V87-M126 HydrophobicContact CG2-CB 4.12Å; V87-M126 HydrophobicContact CG2-CE 4.48Å; V87-M126 HydrophobicContact CG2-CG 4.25Å; V105-M126 WeakPolarHBondContact O-CB 3.41Å; V105-M126 PolarHBondContact O-N 3.49Å; K124-M126 PolarHBondContact O-N 3.41Å
127Y97.3Very high90.7Very high26 Ų2668.2 Ų68.210%0.10234%0.343CS..EExtended strand (participates in β ladder)trans-157.8165.917265.4-90.7000110.7F86 V87 V105 L125 H129 Q166 E167F86-Y127 VanDerWaalsContact O-CE1 3.25Å; F86-Y127 WeakPolarHBondContact O-CE1 3.44Å; F86-Y127 PolarHBondContact O-OH 3.47Å; V87-Y127 HydrophobicContact CG2-CD1 4.49Å; V87-Y127 HydrophobicContact CG2-CE1 4.08Å; V105-Y127 HydrophobicContact CB-CD1 3.95Å; V105-Y127 HydrophobicContact CB-CD2 4.43Å; V105-Y127 HydrophobicContact CB-CE1 3.56Å; V105-Y127 HydrophobicContact CB-CE2 4.07Å; V105-Y127 HydrophobicContact CB-CG 4.39Å; V105-Y127 HydrophobicContact CG1-CD1 4.33Å; V105-Y127 HydrophobicContact CG1-CE1 3.73Å; V105-Y127 HydrophobicContact CG2-CD2 4.4Å; V105-Y127 HydrophobicContact CG2-CE1 3.83Å; V105-Y127 HydrophobicContact CG2-CE2 3.64Å; V105-Y127 WeakPolarHBondContact CG2-OH 3.42Å; V105-Y127 PolarHBondContact N-O 3.3Å; V105-Y127 PolarHBondContact O-N 2.78Å; L125-Y127 WeakPolarHBondContact CD1-O 3.36Å; Y127-H129 AromaticContact CD2-CD2 3.81Å; Y127-H129 AromaticContact CD2-NE2 3.81Å; Y127-H129 AromaticContact CE2-CD2 3.58Å; Y127-H129 AromaticContact CE2-NE2 3.62Å; Y127-Q166 WeakPolarHBondContact CE2-O 3.12Å; Y127-Q166 WeakPolarHBondContact OH-CA 3.47Å; Y127-Q166 PolarHBondContact OH-O 2.94Å; Y127-E167 HydrophobicContact CD1-CG 3.7Å; Y127-E167 HydrophobicContact CE1-CG 3.98Å; Y127-E167 HydrophobicContact CG-CG 4.05Å
128E97.2Very high91.9Very high83 Ų8361.8 Ų61.839%0.38831%0.314SS..EExtended strand (participates in β ladder)trans-138.5136.2177.6180-176.1117.900109.6L103 N130L103-E128 CarbonylContact O-C 3.59Å; L103-E128 WeakPolarHBondContact O-CA 3.39Å; E128-N130 PolarHBondContact OE1-ND2 2.91Å
129H97.3Very high93.2Very high25 Ų2561.1 Ų61.112%0.11630%0.304CS..EExtended strand (participates in β ladder)trans-108.9126.4168.1-72.7-65.3000110.2K102 L103 Y127 F164 Q166 E167K102-H129 CarbonylContact C-O 3.53Å; K102-H129 VanDerWaalsContact CA-O 3.29Å; K102-H129 WeakPolarHBondContact CA-O 3.11Å; L103-H129 HydrophobicContact CB-CB 4.32Å; L103-H129 PolarHBondContact N-O 3.25Å; L103-H129 PolarHBondContact O-N 3.05Å; Y127-H129 AromaticContact CD2-CD2 3.81Å; Y127-H129 AromaticContact CD2-NE2 3.81Å; Y127-H129 AromaticContact CE2-CD2 3.58Å; Y127-H129 AromaticContact CE2-NE2 3.62Å; H129-F164 HydrophobicContact CB-CD1 4.21Å; H129-F164 HydrophobicContact CB-CE1 3.82Å; H129-F164 AromaticContact CD2-CD1 3.54Å; H129-F164 AromaticContact CG-CD1 3.67Å; H129-F164 AromaticContact CG-CE1 3.73Å; H129-F164 AromaticContact ND1-CD1 3.97Å; H129-F164 AromaticContact NE2-CD1 3.77Å; H129-Q166 PolarHBondContact NE2-O 3.35Å; H129-E167 VanDerWaalsContact CE1-C 3.41Å; H129-E167 PolarHBondContact CE1-O 3.22Å
130N96.2Very high94.2Very high125 Ų12561.2 Ų61.267%0.66830%0.299SS*.EExtended strand (participates in β ladder)trans-83.2125171.4-78.2-74.8000109.9E128E128-N130 PolarHBondContact OE1-ND2 2.91Å
131L95.7Very high95Very high8 Ų855.9 Ų55.94%0.04228%0.276CS..  trans-92.7125.6-177.6-51175.9000110.6L98 R101 R133 A135 I154 M162 F164L98-L131 HydrophobicContact CD1-CD1 4.05Å; R101-L131 PolarHBondContact NH2-O 2.76Å; R101-L131 WeakPolarHBondContact O-CB 3.46Å; R101-L131 PolarHBondContact O-N 2.64Å; L131-R133 WeakPolarHBondContact CB-O 3.43Å; L131-R133 PolarHBondContact O-N 3.33Å; L131-A135 HydrophobicContact CD1-CB 3.86Å; L131-I154 HydrophobicContact CD1-CD1 4.06Å; L131-I154 HydrophobicContact CD2-CD1 3.82Å; L131-M162 HydrophobicContact CD2-CE 4.31Å; L131-F164 HydrophobicContact CD2-CE1 4.38Å; L131-F164 HydrophobicContact CD2-CE2 4.14Å; L131-F164 HydrophobicContact CD2-CZ 3.56Å
132Q91.9Very high95.4Very high145 Ų14556.4 Ų56.468%0.67828%0.28SS*.SBendtrans-71.6-17176-62-179.60.300112.5R101R101-Q132 PolarHBondContact NH2-O 3.09Å
133R93.5Very high95.7Very high52 Ų5251.2 Ų51.220%0.19626%0.256CS..SBendtrans-127.3155.7-179.7-61.5-176.1-177.6-77.9-12.3110.7L131 A135 D158 M160L131-R133 WeakPolarHBondContact CB-O 3.43Å; L131-R133 PolarHBondContact O-N 3.33Å; R133-A135 PolarHBondContact O-N 3.28Å; R133-D158 IonicContact CZ-OD2 2.67Å; R133-D158 IonicContact NE-OD2 2.64Å; R133-D158 IonicContact NH1-OD2 3.27Å; R133-D158 PolarHBondContact NH1-OD2 3.33Å; R133-M160 PolarHBondContact NE-SD 2.77Å
134T97Very high95.6Very high61 Ų6151.2 Ų51.237%0.37427%0.266SS..  trans-72.1120.1175.8-55.50000109.8S100 S156 M157S100-T134 CarbonylContact O-C 3.55Å; S100-T134 WeakPolarHBondContact O-CA 3.46Å; T134-S156 CarbonylContact O-C 3.56Å; T134-S156 VanDerWaalsContact O-CA 3.26Å; T134-S156 WeakPolarHBondContact O-CA 3.39Å; T134-S156 WeakPolarHBondContact O-CB 3.4Å; T134-M157 HydrophobicContact CG2-CG 3.9Å; T134-M157 PolarHBondContact O-N 3.23Å
135A97.4Very high95.4Very high2 Ų247 Ų472%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-73.4152.9175.700000112.1L79 L98 S100 L131 R133 I154L79-A135 HydrophobicContact CD1-CB 4.42Å; L79-A135 WeakPolarHBondContact CD1-O 3.33Å; L98-A135 HydrophobicContact CD1-CB 3.85Å; L98-A135 HydrophobicContact CD2-CB 4.1Å; L98-A135 HydrophobicContact CG-CB 4.16Å; S100-A135 PolarHBondContact O-N 3.07Å; L131-A135 HydrophobicContact CD1-CB 3.86Å; R133-A135 PolarHBondContact O-N 3.28Å; A135-I154 HydrophobicContact CB-CG2 3.63Å
136C96Very high95.1Very high39 Ų3946 Ų4626%0.26426%0.26SS..EExtended strand (participates in β ladder)trans-111.3-56.1170.5-177.30000110.6Q155 M157 P181C136-Q155 PolarHBondContact N-O 2.86Å; C136-M157 HydrophobicContact CB-CG 4.29Å; C136-M157 HydrophobicContact CB-SD 3.48Å; C136-M157 WeakPolarHBondContact CB-SD 3.44Å; C136-P181 HydrophobicContact CB-CB 3.9Å; C136-P181 HydrophobicContact CB-CG 3.99Å; C136-P181 WeakPolarHBondContact SG-CG 3.4Å
137N96.9Very high94.7Very high19 Ų1951.6 Ų51.610%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-149.1176.5-179.76337.5000110.2Q155 G182N137-Q155 PolarHBondContact ND2-OE1 3.48Å; N137-Q155 VanDerWaalsContact ND2-OE1 3.16Å; N137-Q155 PolarHBondContact O-N 3.32Å; N137-Q155 VanDerWaalsContact OD1-CB 3.23Å; N137-Q155 WeakPolarHBondContact OD1-CB 3.47Å; N137-Q155 PolarHBondContact OD1-OE1 2.92Å; N137-G182 PolarHBondContact ND2-O 3.43Å; N137-G182 VanDerWaalsContact ND2-O 3.1Å
138M97.2Very high94.3Very high6 Ų651.6 Ų51.63%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-141.4160.9171.765.9178.5175.800112.1Q80 E82 A96 L98 L103 I152 C153 I154Q80-M138 HydrophobicContact CB-CE 4.42Å; Q80-M138 HydrophobicContact CG-CE 4.23Å; Q80-M138 HydrophobicContact CG-CG 4.3Å; Q80-M138 PolarHBondContact NE2-O 2.95Å; Q80-M138 PolarHBondContact OE1-O 2.98Å; E82-M138 HydrophobicContact CB-CE 3.83Å; E82-M138 HydrophobicContact CG-CE 3.7Å; A96-M138 HydrophobicContact CB-CE 3.98Å; L98-M138 HydrophobicContact CB-CE 3.97Å; L98-M138 HydrophobicContact CB-CG 4.47Å; L98-M138 HydrophobicContact CB-SD 3.94Å; L98-M138 HydrophobicContact CD2-CB 4Å; L98-M138 HydrophobicContact CD2-CG 4Å; L98-M138 HydrophobicContact CD2-SD 4.38Å; L103-M138 HydrophobicContact CD1-SD 4.02Å; M138-I152 HydrophobicContact CB-CG2 4.08Å; M138-I152 HydrophobicContact CG-CG2 4.42Å; M138-I152 HydrophobicContact SD-CG2 3.77Å; M138-C153 CarbonylContact C-O 3.56Å; M138-C153 WeakPolarHBondContact CA-O 3.21Å; M138-C153 WeakPolarHBondContact CB-O 3.29Å; M138-I154 HydrophobicContact CB-CG1 3.98Å
139T97Very high94.1Very high17 Ų1753.6 Ų53.610%0.10429%0.294CS..EExtended strand (participates in β ladder)trans-133162.9167.3-163.50000109.2C153 L184 Y186 F193T139-C153 HydrophobicContact CG2-CB 4.12Å; T139-C153 PolarHBondContact N-O 2.99Å; T139-C153 PolarHBondContact O-N 3.41Å; T139-L184 HydrophobicContact CG2-CD2 3.77Å; T139-L184 HydrophobicContact CG2-CG 3.86Å; T139-Y186 PolarHBondContact OG1-N 2.94Å; T139-F193 HydrophobicContact CG2-CD1 3.98Å; T139-F193 HydrophobicContact CG2-CE1 4.05Å
140Y96.5Very high94Very high82 Ų8254 Ų5432%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-139.5163.3179.473-84.7000112.8E82 F86 D150 L151E82-Y140 HydrophobicContact CB-CD1 4.12Å; E82-Y140 HydrophobicContact CB-CE1 4.18Å; E82-Y140 HydrophobicContact CG-CD1 4.02Å; E82-Y140 HydrophobicContact CG-CE1 4.13Å; E82-Y140 WeakPolarHBondContact OE2-CE1 3.39Å; F86-Y140 AromaticContact CE1-CD2 3.99Å; F86-Y140 HydrophobicContact CE1-CD2 3.99Å; F86-Y140 AromaticContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CZ-CD1 4.3Å; F86-Y140 HydrophobicContact CZ-CD2 4.21Å; F86-Y140 AromaticContact CZ-CG 3.98Å; F86-Y140 HydrophobicContact CZ-CG 3.98Å; Y140-D150 HydrophobicContact CD2-CB 3.9Å; Y140-L151 CarbonylContact C-O 3.49Å; Y140-L151 WeakPolarHBondContact CA-O 3.4Å; Y140-L151 WeakPolarHBondContact CB-O 3.34Å
141G94.5Very high94Very high9 Ų948.4 Ų48.49%0.09327%0.267CS..EExtended strand (participates in β ladder)trans161.5-169.1170.100000113.4F143 L151G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.26Å; G141-L151 PolarHBondContact N-O 3.47Å; G141-L151 PolarHBondContact O-N 3.06Å
142S93.5Very high94.1Very high39 Ų3948.1 Ų48.127%0.27327%0.265SS..  trans-82.463.1-179.340.60000111.8G144 G145 V146 Y186S142-G144 PolarHBondContact O-N 3.01Å; S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.11Å; S142-V146 WeakPolarHBondContact CB-O 3.42Å; S142-Y186 PolarHBondContact O-OH 3.1Å
143F94.2Very high94.4Very high0 Ų041.2 Ų41.20%023%0.233CC..G310 helixtrans-55.2133.3-177-50.2-21.6000111.3G141 G145 V146 L151 C153 V163 Y186 F193 Y207G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.26Å; F143-G145 PolarHBondContact O-N 2.86Å; F143-V146 WeakPolarHBondContact O-CG2 3.47Å; F143-L151 HydrophobicContact CB-CD1 3.94Å; F143-L151 HydrophobicContact CD2-CB 3.53Å; F143-L151 HydrophobicContact CD2-CD1 4.29Å; F143-L151 HydrophobicContact CD2-CG 4.5Å; F143-L151 HydrophobicContact CE2-CB 3.84Å; F143-L151 WeakPolarHBondContact CE2-O 3.27Å; F143-L151 HydrophobicContact CG-CB 4.04Å; F143-L151 HydrophobicContact CG-CD1 4.38Å; F143-L151 WeakPolarHBondContact CZ-O 3.49Å; F143-C153 HydrophobicContact CE2-CB 3.76Å; F143-C153 HydrophobicContact CZ-CB 3.75Å; F143-V163 HydrophobicContact CD2-CG1 3.91Å; F143-V163 HydrophobicContact CE2-CG1 4.12Å; F143-Y186 WeakPolarHBondContact CA-OH 3.49Å; F143-Y186 AromaticContact CD1-CD1 3.84Å; F143-Y186 HydrophobicContact CD1-CD1 3.84Å; F143-Y186 AromaticContact CD1-CD2 3.57Å; F143-Y186 HydrophobicContact CD1-CD2 3.57Å; F143-Y186 AromaticContact CD1-CE1 3.82Å; F143-Y186 HydrophobicContact CD1-CE1 3.82Å; F143-Y186 AromaticContact CD1-CE2 3.57Å; F143-Y186 HydrophobicContact CD1-CE2 3.57Å; F143-Y186 AromaticContact CD1-CG 3.72Å; F143-Y186 HydrophobicContact CD1-CG 3.72Å; F143-Y186 AromaticContact CD1-CZ 3.71Å; F143-Y186 AromaticContact CE1-CD1 3.87Å; F143-Y186 HydrophobicContact CE1-CD1 3.87Å; F143-Y186 AromaticContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CE1 4.33Å; F143-Y186 HydrophobicContact CE1-CE2 4.23Å; F143-Y186 AromaticContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CG-CE2 4.39Å; F143-F193 HydrophobicContact CD1-CE1 4.17Å; F143-F193 HydrophobicContact CD1-CZ 4.04Å; F143-F193 HydrophobicContact CD2-CE1 4.46Å; F143-F193 AromaticContact CD2-CZ 3.9Å; F143-F193 HydrophobicContact CD2-CZ 3.9Å; F143-F193 AromaticContact CE1-CE1 3.66Å; F143-F193 HydrophobicContact CE1-CE1 3.66Å; F143-F193 AromaticContact CE1-CZ 3.95Å; F143-F193 HydrophobicContact CE1-CZ 3.95Å; F143-F193 AromaticContact CE2-CE1 3.99Å; F143-F193 HydrophobicContact CE2-CE1 3.99Å; F143-F193 AromaticContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CG-CZ 4.03Å; F143-F193 AromaticContact CZ-CE1 3.57Å; F143-F193 HydrophobicContact CZ-CE1 3.57Å; F143-F193 AromaticContact CZ-CZ 3.85Å; F143-F193 HydrophobicContact CZ-CZ 3.85Å; F143-Y207 HydrophobicContact CB-CD2 3.67Å; F143-Y207 HydrophobicContact CB-CE2 3.59Å; F143-Y207 HydrophobicContact CB-CG 4.21Å; F143-Y207 HydrophobicContact CD2-CD2 4.48Å; F143-Y207 HydrophobicContact CD2-CE2 4.25Å; F143-Y207 HydrophobicContact CG-CD2 4.27Å; F143-Y207 HydrophobicContact CG-CE2 4.3Å
144G90.4Very high94.6Very high41 Ų4138.7 Ų38.742%0.42322%0.224SC..G310 helixtrans72.27.3-174.500000114.8S142 D191S142-G144 PolarHBondContact O-N 3.01Å; G144-D191 WeakPolarHBondContact CA-OD2 3.33Å; G144-D191 PolarHBondContact N-OD1 2.87Å
145G89.8Confident94.6Very high52 Ų5235.8 Ų35.854%0.53621%0.206SC..G310 helixtrans80.120.6-17900000114.6S142 F143 K147S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.11Å; F143-G145 PolarHBondContact O-N 2.86Å; G145-K147 PolarHBondContact O-N 3.14Å
146V90.8Very high94.5Very high57 Ų5735.7 Ų35.735%0.34521%0.205SC..  trans-69.9117.7179.5-178.50000110.2S142 F143 R149S142-V146 WeakPolarHBondContact CB-O 3.42Å; F143-V146 WeakPolarHBondContact O-CG2 3.47Å; V146-R149 HydrophobicContact CG1-CB 4.16Å; V146-R149 HydrophobicContact CG1-CG 4.17Å
147K89Confident94.5Very high195 Ų19538.3 Ų38.385%0.84821%0.214SC*.THydrogen-bonded Turntrans-79144.5-178.7-63.7-172178.4-176.40111.8G145 R149G145-K147 PolarHBondContact O-N 3.14Å; K147-R149 PolarHBondContact O-N 3.34Å
148G88.5Confident94.3Very high26 Ų2640.5 Ų40.527%0.26823%0.226SC..THydrogen-bonded Turntrans74.110173.100000114.7
149R92.7Very high94Very high126 Ų12640.2 Ų40.248%0.47523%0.225SC..  trans-135.1138.5178.2-56.7-175.1-169178.6-1.6109.7V146 K147 L151V146-R149 HydrophobicContact CG1-CB 4.16Å; V146-R149 HydrophobicContact CG1-CG 4.17Å; K147-R149 PolarHBondContact O-N 3.34Å; R149-L151 HydrophobicContact CB-CD2 4.26Å
150D95.2Very high93.9Very high32 Ų3239.5 Ų39.517%0.17122%0.22CC..  trans-109.1120.7169-67-45.4000108.3K85 F86 Y140K85-D150 HydrophobicContact CB-CB 4.26Å; K85-D150 WeakPolarHBondContact CB-OD2 3.36Å; K85-D150 PolarHBondContact N-OD2 2.82Å; K85-D150 PolarHBondContact O-N 3.22Å; F86-D150 HydrophobicContact CD1-CB 3.94Å; F86-D150 HydrophobicContact CE1-CB 3.82Å; Y140-D150 HydrophobicContact CD2-CB 3.9Å
151L96.1Very high93.8Very high8 Ų835.7 Ų35.74%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-101.5152.4177.9-46.7179.4000108Y140 G141 F143 R149 E165 Q166Y140-L151 CarbonylContact C-O 3.49Å; Y140-L151 WeakPolarHBondContact CA-O 3.4Å; Y140-L151 WeakPolarHBondContact CB-O 3.34Å; G141-L151 PolarHBondContact N-O 3.47Å; G141-L151 PolarHBondContact O-N 3.06Å; F143-L151 HydrophobicContact CB-CD1 3.94Å; F143-L151 HydrophobicContact CD2-CB 3.53Å; F143-L151 HydrophobicContact CD2-CD1 4.29Å; F143-L151 HydrophobicContact CD2-CG 4.5Å; F143-L151 HydrophobicContact CE2-CB 3.84Å; F143-L151 WeakPolarHBondContact CE2-O 3.27Å; F143-L151 HydrophobicContact CG-CB 4.04Å; F143-L151 HydrophobicContact CG-CD1 4.38Å; F143-L151 WeakPolarHBondContact CZ-O 3.49Å; R149-L151 HydrophobicContact CB-CD2 4.26Å; L151-E165 HydrophobicContact CD1-CG 3.92Å; L151-E165 HydrophobicContact CD2-CB 4.32Å; L151-E165 HydrophobicContact CD2-CG 4.29Å; L151-Q166 HydrophobicContact CD2-CG 3.99Å
152I97.8Very high93.9Very high2 Ų235.6 Ų35.61%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-113.4135.8-172.9-61.1172000109.4F86 A96 L103 M138 I154 F164F86-I152 HydrophobicContact CD1-CD1 3.65Å; F86-I152 HydrophobicContact CD1-CG1 3.72Å; F86-I152 HydrophobicContact CD2-CD1 4.46Å; F86-I152 HydrophobicContact CE1-CD1 3.87Å; F86-I152 HydrophobicContact CE1-CG1 3.69Å; F86-I152 HydrophobicContact CG-CD1 3.99Å; F86-I152 HydrophobicContact CZ-CD1 4.35Å; F86-I152 HydrophobicContact CZ-CG1 4.46Å; A96-I152 HydrophobicContact CB-CD1 3.93Å; L103-I152 HydrophobicContact CD1-CD1 4.37Å; L103-I152 HydrophobicContact CD2-CD1 4Å; L103-I152 HydrophobicContact CD2-CG2 4.35Å; M138-I152 HydrophobicContact CB-CG2 4.08Å; M138-I152 HydrophobicContact CG-CG2 4.42Å; M138-I152 HydrophobicContact SD-CG2 3.77Å; I152-I154 HydrophobicContact CG2-CG1 4.04Å; I152-F164 PolarHBondContact N-O 3.47Å; I152-F164 PolarHBondContact O-N 3.46Å
153C97.7Very high94Very high0 Ų033.9 Ų33.90%019%0.19CC..EExtended strand (participates in β ladder)trans-117.7118.8169.2179.10000108.8M138 T139 F143 M162 V163 F193M138-C153 CarbonylContact C-O 3.56Å; M138-C153 WeakPolarHBondContact CA-O 3.21Å; M138-C153 WeakPolarHBondContact CB-O 3.29Å; T139-C153 HydrophobicContact CG2-CB 4.12Å; T139-C153 PolarHBondContact N-O 2.99Å; T139-C153 PolarHBondContact O-N 3.41Å; F143-C153 HydrophobicContact CE2-CB 3.76Å; F143-C153 HydrophobicContact CZ-CB 3.75Å; C153-M162 CarbonylContact C-O 3.55Å; C153-M162 WeakPolarHBondContact CA-O 3.45Å; C153-V163 HydrophobicContact CB-CG2 4.31Å; C153-F193 HydrophobicContact CB-CD1 4.27Å; C153-F193 HydrophobicContact CB-CE1 3.48Å; C153-F193 VanDerWaalsContact CB-CE1 3.48Å; C153-F193 HydrophobicContact CB-CZ 3.94Å
154I98Very high94.1Very high0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-98.2131.7177.5-61.9176.3000108.9L98 L103 L131 A135 M138 I152 L161 M162 F164L98-I154 HydrophobicContact CD1-CD1 3.61Å; L98-I154 HydrophobicContact CD1-CG1 4.1Å; L98-I154 HydrophobicContact CD1-CG2 4.17Å; L103-I154 HydrophobicContact CB-CD1 3.95Å; L103-I154 HydrophobicContact CD2-CD1 4Å; L103-I154 HydrophobicContact CG-CD1 4.38Å; L131-I154 HydrophobicContact CD1-CD1 4.06Å; L131-I154 HydrophobicContact CD2-CD1 3.82Å; A135-I154 HydrophobicContact CB-CG2 3.63Å; M138-I154 HydrophobicContact CB-CG1 3.98Å; I152-I154 HydrophobicContact CG2-CG1 4.04Å; I154-L161 CarbonylContact O-C 3.54Å; I154-L161 WeakPolarHBondContact O-CA 3.32Å; I154-M162 HydrophobicContact CB-CB 4.46Å; I154-M162 HydrophobicContact CB-CE 4.08Å; I154-M162 HydrophobicContact CG2-CE 3.67Å; I154-M162 PolarHBondContact N-O 3.48Å; I154-M162 PolarHBondContact O-N 3.28Å; I154-F164 HydrophobicContact CB-CE2 4.29Å; I154-F164 HydrophobicContact CD1-CD2 4.06Å; I154-F164 HydrophobicContact CD1-CE2 3.63Å; I154-F164 HydrophobicContact CD1-CZ 4.34Å; I154-F164 HydrophobicContact CG1-CD2 4.26Å; I154-F164 HydrophobicContact CG1-CE2 4.05Å
155Q97.2Very high94.3Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-92.6126.9167.3-170176.23200109.7C136 N137 M160 L161 G182 L184C136-Q155 PolarHBondContact N-O 2.86Å; N137-Q155 PolarHBondContact ND2-OE1 3.48Å; N137-Q155 VanDerWaalsContact ND2-OE1 3.16Å; N137-Q155 PolarHBondContact O-N 3.32Å; N137-Q155 VanDerWaalsContact OD1-CB 3.23Å; N137-Q155 WeakPolarHBondContact OD1-CB 3.47Å; N137-Q155 PolarHBondContact OD1-OE1 2.92Å; Q155-M160 WeakPolarHBondContact CA-O 3.47Å; Q155-L161 HydrophobicContact CB-CD2 4.03Å; Q155-L161 HydrophobicContact CG-CD2 3.98Å; Q155-G182 PolarHBondContact OE1-O 3.14Å; Q155-L184 HydrophobicContact CB-CD2 4.16Å
156S96.4Very high94.5Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-82.7158170.567.30000112.3T134 D158 G159 M160T134-S156 CarbonylContact O-C 3.56Å; T134-S156 VanDerWaalsContact O-CA 3.26Å; T134-S156 WeakPolarHBondContact O-CA 3.39Å; T134-S156 WeakPolarHBondContact O-CB 3.4Å; S156-D158 WeakPolarHBondContact CB-OD1 3.45Å; S156-D158 PolarHBondContact O-N 3.43Å; S156-D158 VanDerWaalsContact O-N 3.12Å; S156-D158 PolarHBondContact OG-OD1 2.94Å; S156-G159 PolarHBondContact O-N 3Å; S156-G159 PolarHBondContact OG-N 2.84Å; S156-M160 PolarHBondContact N-O 3.41Å; S156-M160 WeakPolarHBondContact OG-CA 3.44Å; S156-M160 VanDerWaalsContact OG-CB 3.25Å; S156-M160 WeakPolarHBondContact OG-CB 3.37Å; S156-M160 PolarHBondContact OG-N 2.72Å; S156-M160 PolarHBondContact OG-O 2.71Å
157M95.1Very high94.7Very high94 Ų9434.7 Ų34.746%0.46317%0.165SC..THydrogen-bonded Turntrans-58.4-22.5176.6-69.9-63-6300113.7T134 C136 F178 P181T134-M157 HydrophobicContact CG2-CG 3.9Å; T134-M157 PolarHBondContact O-N 3.23Å; C136-M157 HydrophobicContact CB-CG 4.29Å; C136-M157 HydrophobicContact CB-SD 3.48Å; C136-M157 WeakPolarHBondContact CB-SD 3.44Å; M157-F178 VanDerWaalsContact O-CE1 3.29Å; M157-F178 WeakPolarHBondContact O-CE1 3.27Å; M157-P181 HydrophobicContact CE-CG 4.14Å; M157-P181 HydrophobicContact SD-CG 3.95Å
158D92.5Very high94.9Very high64 Ų6428.2 Ų28.234%0.34215%0.145SC..THydrogen-bonded Turntrans-101.811.1177.866.7-29.2000113.7R133 S156 F178R133-D158 IonicContact CZ-OD2 2.67Å; R133-D158 IonicContact NE-OD2 2.64Å; R133-D158 IonicContact NH1-OD2 3.27Å; R133-D158 PolarHBondContact NH1-OD2 3.33Å; S156-D158 WeakPolarHBondContact CB-OD1 3.45Å; S156-D158 PolarHBondContact O-N 3.43Å; S156-D158 VanDerWaalsContact O-N 3.12Å; S156-D158 PolarHBondContact OG-OD1 2.94Å; D158-F178 VanDerWaalsContact C-CD1 3.46Å; D158-F178 WeakPolarHBondContact O-CD1 3.45Å
159G91.5Very high95.2Very high0 Ų031.1 Ų31.10%015%0.148CC..SBendtrans87.923.5166.700000116S156 L175 F178S156-G159 PolarHBondContact O-N 3Å; S156-G159 PolarHBondContact OG-N 2.84Å; G159-L175 PolarHBondContact O-N 3.3Å; G159-F178 VanDerWaalsContact CA-CD1 3.5Å; G159-F178 VanDerWaalsContact CA-CE1 3.41Å; G159-F178 VanDerWaalsContact CA-CG 3.47Å; G159-F178 VanDerWaalsContact N-CZ 3.26Å
160M93.9Very high95.2Very high3 Ų326.9 Ų26.92%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-92.4127.6170.3-172.3171.5172.300110R133 Q155 S156 M162 G172 R173 F174 A216R133-M160 PolarHBondContact NE-SD 2.77Å; Q155-M160 WeakPolarHBondContact CA-O 3.47Å; S156-M160 PolarHBondContact N-O 3.41Å; S156-M160 WeakPolarHBondContact OG-CA 3.44Å; S156-M160 VanDerWaalsContact OG-CB 3.25Å; S156-M160 WeakPolarHBondContact OG-CB 3.37Å; S156-M160 PolarHBondContact OG-N 2.72Å; S156-M160 PolarHBondContact OG-O 2.71Å; M160-M162 HydrophobicContact CE-CG 4.24Å; M160-M162 HydrophobicContact CG-CG 4.09Å; M160-M162 HydrophobicContact SD-CG 4.37Å; M160-G172 VanDerWaalsContact CE-CA 3.49Å; M160-R173 CarbonylContact C-O 3.47Å; M160-R173 WeakPolarHBondContact CA-O 3.23Å; M160-F174 HydrophobicContact CB-CD1 3.98Å; M160-F174 HydrophobicContact CB-CE1 3.96Å; M160-F174 HydrophobicContact CB-CZ 4.48Å; M160-F174 HydrophobicContact SD-CE2 4.24Å; M160-F174 HydrophobicContact SD-CZ 4.18Å; M160-A216 HydrophobicContact CE-CB 3.56Å; M160-A216 HydrophobicContact SD-CB 4.04Å
161L95.5Very high95.1Very high2 Ų226.1 Ų26.11%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-87.5114.4166.5-60.9-172.9000108.5I154 Q155 G172 R173 L175 L184 L210I154-L161 CarbonylContact O-C 3.54Å; I154-L161 WeakPolarHBondContact O-CA 3.32Å; Q155-L161 HydrophobicContact CB-CD2 4.03Å; Q155-L161 HydrophobicContact CG-CD2 3.98Å; L161-G172 CarbonylContact O-C 3.6Å; L161-G172 WeakPolarHBondContact O-CA 3.45Å; L161-R173 PolarHBondContact N-O 3.49Å; L161-R173 PolarHBondContact O-N 2.88Å; L161-L175 HydrophobicContact CD1-CD2 3.85Å; L161-L175 HydrophobicContact CD1-CG 4.37Å; L161-L175 HydrophobicContact CD2-CD1 4.25Å; L161-L175 HydrophobicContact CG-CD1 4.24Å; L161-L175 HydrophobicContact CG-CD2 4.13Å; L161-L175 HydrophobicContact CG-CG 4.11Å; L161-L184 HydrophobicContact CD2-CD1 4.05Å; L161-L184 HydrophobicContact CD2-CD2 3.98Å; L161-L210 HydrophobicContact CD1-CD1 4.23Å; L161-L210 HydrophobicContact CD1-CD2 4.43Å
162M96.1Very high95Very high7 Ų725.7 Ų25.73%0.03413%0.133CC..EExtended strand (participates in β ladder)trans-104.5115.4178-64.2177.9-67.200109.1L131 C153 I154 M160 F164 Y169L131-M162 HydrophobicContact CD2-CE 4.31Å; C153-M162 CarbonylContact C-O 3.55Å; C153-M162 WeakPolarHBondContact CA-O 3.45Å; I154-M162 HydrophobicContact CB-CB 4.46Å; I154-M162 HydrophobicContact CB-CE 4.08Å; I154-M162 HydrophobicContact CG2-CE 3.67Å; I154-M162 PolarHBondContact N-O 3.48Å; I154-M162 PolarHBondContact O-N 3.28Å; M160-M162 HydrophobicContact CE-CG 4.24Å; M160-M162 HydrophobicContact CG-CG 4.09Å; M160-M162 HydrophobicContact SD-CG 4.37Å; M162-F164 HydrophobicContact CB-CD2 4.49Å; M162-F164 HydrophobicContact CB-CE2 3.6Å; M162-F164 HydrophobicContact CB-CZ 4.17Å; M162-F164 WeakPolarHBondContact O-CD2 3.16Å; M162-Y169 HydrophobicContact CB-CE2 4.18Å; M162-Y169 HydrophobicContact CG-CE2 4.47Å
163V96.4Very high94.8Very high2 Ų226.4 Ų26.41%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-99.5128.4-177.3-179.60000110F143 C153 A170 F171 Y207F143-V163 HydrophobicContact CD2-CG1 3.91Å; F143-V163 HydrophobicContact CE2-CG1 4.12Å; C153-V163 HydrophobicContact CB-CG2 4.31Å; V163-A170 HydrophobicContact CG1-CB 4.34Å; V163-A170 WeakPolarHBondContact O-CB 3.32Å; V163-A170 PolarHBondContact O-N 3.4Å; V163-F171 HydrophobicContact CB-CD2 4.5Å; V163-F171 HydrophobicContact CB-CE1 4.24Å; V163-F171 HydrophobicContact CB-CE2 4.16Å; V163-F171 HydrophobicContact CB-CZ 4.03Å; V163-F171 HydrophobicContact CG1-CE1 4.37Å; V163-F171 HydrophobicContact CG1-CZ 4.37Å; V163-F171 HydrophobicContact CG2-CD2 4.39Å; V163-F171 HydrophobicContact CG2-CE1 4.48Å; V163-F171 HydrophobicContact CG2-CE2 3.72Å; V163-F171 HydrophobicContact CG2-CZ 3.78Å; V163-F171 PolarHBondContact N-O 3.29Å; V163-F171 PolarHBondContact O-N 3.5Å; V163-Y207 HydrophobicContact CG1-CE2 4.34Å
164F96.2Very high94.5Very high7 Ų730 Ų303%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-117.3118.4178.8-62-94.7000109.5H129 L131 I152 I154 M162 Q166 S168 Y169H129-F164 HydrophobicContact CB-CD1 4.21Å; H129-F164 HydrophobicContact CB-CE1 3.82Å; H129-F164 AromaticContact CD2-CD1 3.54Å; H129-F164 AromaticContact CG-CD1 3.67Å; H129-F164 AromaticContact CG-CE1 3.73Å; H129-F164 AromaticContact ND1-CD1 3.97Å; H129-F164 AromaticContact NE2-CD1 3.77Å; L131-F164 HydrophobicContact CD2-CE1 4.38Å; L131-F164 HydrophobicContact CD2-CE2 4.14Å; L131-F164 HydrophobicContact CD2-CZ 3.56Å; I152-F164 PolarHBondContact N-O 3.47Å; I152-F164 PolarHBondContact O-N 3.46Å; I154-F164 HydrophobicContact CB-CE2 4.29Å; I154-F164 HydrophobicContact CD1-CD2 4.06Å; I154-F164 HydrophobicContact CD1-CE2 3.63Å; I154-F164 HydrophobicContact CD1-CZ 4.34Å; I154-F164 HydrophobicContact CG1-CD2 4.26Å; I154-F164 HydrophobicContact CG1-CE2 4.05Å; M162-F164 HydrophobicContact CB-CD2 4.49Å; M162-F164 HydrophobicContact CB-CE2 3.6Å; M162-F164 HydrophobicContact CB-CZ 4.17Å; M162-F164 WeakPolarHBondContact O-CD2 3.16Å; F164-Q166 PolarHBondContact O-N 3.35Å; F164-S168 CarbonylContact C-O 3.59Å; F164-S168 WeakPolarHBondContact CA-O 3.23Å; F164-Y169 HydrophobicContact CD1-CD2 4Å; F164-Y169 AromaticContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CG 4.23Å; F164-Y169 HydrophobicContact CE2-CD2 4.36Å; F164-Y169 AromaticContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CE2 4.29Å
165E94.4Very high94.2Very high80 Ų8030.7 Ų30.737%0.37416%0.155SC..EExtended strand (participates in β ladder)trans-8682.2168.9-75.5-178.1-161.500108.8L151 E167 S168 A170L151-E165 HydrophobicContact CD1-CG 3.92Å; L151-E165 HydrophobicContact CD2-CB 4.32Å; L151-E165 HydrophobicContact CD2-CG 4.29Å; E165-E167 PolarHBondContact O-N 3.44Å; E165-E167 VanDerWaalsContact O-N 3.12Å; E165-S168 CarbonylContact C-O 3.57Å; E165-S168 PolarHBondContact N-O 2.87Å; E165-S168 PolarHBondContact O-N 2.87Å; E165-S168 PolarHBondContact O-OG 2.8Å; E165-A170 HydrophobicContact CG-CB 4.03Å
166Q92.9Very high93.7Very high8 Ų833.5 Ų33.54%0.03717%0.173CC..THydrogen-bonded Turntrans52.4-113.2-177.2-59.1178.5-50.900111.1K85 F86 V87 S88 Y127 H129 L151 F164 S168K85-Q166 PolarHBondContact O-NE2 2.95Å; F86-Q166 WeakPolarHBondContact O-CB 3.41Å; F86-Q166 WeakPolarHBondContact O-CG 3.44Å; V87-Q166 PolarHBondContact O-NE2 3.01Å; S88-Q166 VanDerWaalsContact CB-OE1 3.28Å; Y127-Q166 WeakPolarHBondContact CE2-O 3.12Å; Y127-Q166 WeakPolarHBondContact OH-CA 3.47Å; Y127-Q166 PolarHBondContact OH-O 2.94Å; H129-Q166 PolarHBondContact NE2-O 3.35Å; L151-Q166 HydrophobicContact CD2-CG 3.99Å; F164-Q166 PolarHBondContact O-N 3.35Å; Q166-S168 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact O-N 3.16Å
167E94.9Very high93Very high72 Ų7236.9 Ų36.934%0.33621%0.208SC..THydrogen-bonded Turntrans-73.4-1.3-178.9-53.886.516700114.1S88 Y127 H129 E165S88-E167 WeakPolarHBondContact CB-OE1 3.33Å; S88-E167 VanDerWaalsContact CB-OE2 3.26Å; S88-E167 WeakPolarHBondContact CB-OE2 3.41Å; S88-E167 PolarHBondContact N-OE1 3.13Å; S88-E167 PolarHBondContact OG-OE1 3.36Å; S88-E167 PolarHBondContact OG-OE2 3.02Å; S88-E167 VanDerWaalsContact OG-OE2 3.07Å; Y127-E167 HydrophobicContact CD1-CG 3.7Å; Y127-E167 HydrophobicContact CE1-CG 3.98Å; Y127-E167 HydrophobicContact CG-CG 4.05Å; H129-E167 VanDerWaalsContact CE1-C 3.41Å; H129-E167 PolarHBondContact CE1-O 3.22Å; E165-E167 PolarHBondContact O-N 3.44Å; E165-E167 VanDerWaalsContact O-N 3.12Å
168S94.3Very high92.7Very high59 Ų5934.7 Ų34.741%0.41320%0.196SC..EExtended strand (participates in β ladder)trans-122.4133.1-176.2650000112.8F164 E165 Q166 A170F164-S168 CarbonylContact C-O 3.59Å; F164-S168 WeakPolarHBondContact CA-O 3.23Å; E165-S168 CarbonylContact C-O 3.57Å; E165-S168 PolarHBondContact N-O 2.87Å; E165-S168 PolarHBondContact O-N 2.87Å; E165-S168 PolarHBondContact O-OG 2.8Å; Q166-S168 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact O-N 3.16Å; S168-A170 PolarHBondContact O-N 3.22Å
169Y94.4Very high92.6Very high88 Ų8837.9 Ų37.935%0.34521%0.212SC..EExtended strand (participates in β ladder)trans-72.6122.1166.6173.5-106.4000109M162 F164 G172M162-Y169 HydrophobicContact CB-CE2 4.18Å; M162-Y169 HydrophobicContact CG-CE2 4.47Å; F164-Y169 HydrophobicContact CD1-CD2 4Å; F164-Y169 AromaticContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CG 4.23Å; F164-Y169 HydrophobicContact CE2-CD2 4.36Å; F164-Y169 AromaticContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CE2 4.29Å; Y169-G172 PolarHBondContact OH-N 3.43Å; Y169-G172 VanDerWaalsContact OH-N 3.11Å
170A92.8Very high92.7Very high36 Ų3642.2 Ų42.230%0.29823%0.234SC..EExtended strand (participates in β ladder)trans-88.1-59.6-177.400000111.2V163 E165 S168V163-A170 HydrophobicContact CG1-CB 4.34Å; V163-A170 WeakPolarHBondContact O-CB 3.32Å; V163-A170 PolarHBondContact O-N 3.4Å; E165-A170 HydrophobicContact CG-CB 4.03Å; S168-A170 PolarHBondContact O-N 3.22Å
171F93.4Very high92.7Very high16 Ų1643.4 Ų43.47%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-170.4169-178.862-96.8000111.5V163 R173 Y207 L210 A211V163-F171 HydrophobicContact CB-CD2 4.5Å; V163-F171 HydrophobicContact CB-CE1 4.24Å; V163-F171 HydrophobicContact CB-CE2 4.16Å; V163-F171 HydrophobicContact CB-CZ 4.03Å; V163-F171 HydrophobicContact CG1-CE1 4.37Å; V163-F171 HydrophobicContact CG1-CZ 4.37Å; V163-F171 HydrophobicContact CG2-CD2 4.39Å; V163-F171 HydrophobicContact CG2-CE1 4.48Å; V163-F171 HydrophobicContact CG2-CE2 3.72Å; V163-F171 HydrophobicContact CG2-CZ 3.78Å; V163-F171 PolarHBondContact N-O 3.29Å; V163-F171 PolarHBondContact O-N 3.5Å; F171-R173 HydrophobicContact CD2-CG 4.03Å; F171-R173 HydrophobicContact CE2-CG 4.22Å; F171-Y207 HydrophobicContact CE1-CE2 4.28Å; F171-Y207 HydrophobicContact CZ-CE2 4.08Å; F171-L210 HydrophobicContact CE2-CB 4.16Å; F171-A211 HydrophobicContact CD1-CB 4.44Å; F171-A211 HydrophobicContact CE1-CB 3.65Å; F171-A211 VanDerWaalsContact CZ-CA 3.5Å; F171-A211 HydrophobicContact CZ-CB 3.7Å
172G93.1Very high92.6Very high0 Ų044 Ų440%025%0.249CC..EExtended strand (participates in β ladder)trans-140.4146.4170.300000114.9M160 L161 Y169 A216M160-G172 VanDerWaalsContact CE-CA 3.49Å; L161-G172 CarbonylContact O-C 3.6Å; L161-G172 WeakPolarHBondContact O-CA 3.45Å; Y169-G172 PolarHBondContact OH-N 3.43Å; Y169-G172 VanDerWaalsContact OH-N 3.11Å; G172-A216 PolarHBondContact O-N 2.9Å
173R93.2Very high92.6Very high17 Ų1743.9 Ų43.96%0.06425%0.249CC..EExtended strand (participates in β ladder)trans-136131.6-173.8-59.7-62.8177.1-96.71.5111.9M160 L161 F171 L210 A211 A213 T214 D215M160-R173 CarbonylContact C-O 3.47Å; M160-R173 WeakPolarHBondContact CA-O 3.23Å; L161-R173 PolarHBondContact N-O 3.49Å; L161-R173 PolarHBondContact O-N 2.88Å; F171-R173 HydrophobicContact CD2-CG 4.03Å; F171-R173 HydrophobicContact CE2-CG 4.22Å; R173-L210 HydrophobicContact CB-CD2 3.96Å; R173-L210 WeakPolarHBondContact CD-O 3.22Å; R173-L210 HydrophobicContact CG-CB 4.45Å; R173-L210 HydrophobicContact CG-CD2 4.23Å; R173-L210 WeakPolarHBondContact CG-O 3.5Å; R173-L210 PolarHBondContact NE-O 3.38Å; R173-A211 PolarHBondContact NH2-O 2.79Å; R173-A213 PolarHBondContact NE-O 3.16Å; R173-A213 PolarHBondContact NH2-O 2.88Å; R173-T214 WeakPolarHBondContact CD-O 3.32Å; R173-D215 IonicContact CZ-OD2 3.6Å; R173-D215 IonicContact NH1-OD1 2.77Å; R173-D215 PolarHBondContact NH1-OD1 2.83Å; R173-D215 VanDerWaalsContact NH1-OD1 3.11Å; R173-D215 IonicContact NH1-OD2 2.75Å; R173-D215 PolarHBondContact NH1-OD2 3.34Å; R173-D215 IonicContact NH2-OD2 2.78Å
174F91.6Very high92.7Very high76 Ų7644.5 Ų44.533%0.33325%0.252SS..EExtended strand (participates in β ladder)trans-76.2131.4171.3-76.1-77.2000111.6M160 A216M160-F174 HydrophobicContact CB-CD1 3.98Å; M160-F174 HydrophobicContact CB-CE1 3.96Å; M160-F174 HydrophobicContact CB-CZ 4.48Å; M160-F174 HydrophobicContact SD-CE2 4.24Å; M160-F174 HydrophobicContact SD-CZ 4.18Å; F174-A216 HydrophobicContact CD2-CB 3.66Å; F174-A216 HydrophobicContact CE2-CB 3.6Å
175L91.8Very high92.7Very high13 Ų1344.5 Ų44.57%0.06825%0.253CS..PPolyproline II helixtrans-71.2137.8170.5-65.4175.5000110.6G159 L161 F178 T195 Y205G159-L175 PolarHBondContact O-N 3.3Å; L161-L175 HydrophobicContact CD1-CD2 3.85Å; L161-L175 HydrophobicContact CD1-CG 4.37Å; L161-L175 HydrophobicContact CD2-CD1 4.25Å; L161-L175 HydrophobicContact CG-CD1 4.24Å; L161-L175 HydrophobicContact CG-CD2 4.13Å; L161-L175 HydrophobicContact CG-CG 4.11Å; L175-F178 HydrophobicContact CB-CB 4.48Å; L175-F178 HydrophobicContact CB-CD2 4.32Å; L175-F178 HydrophobicContact CD1-CD2 4.25Å; L175-T195 HydrophobicContact CD1-CG2 4.03Å; L175-Y205 HydrophobicContact CD2-CD2 4.06Å; L175-Y205 HydrophobicContact CD2-CE1 4.17Å; L175-Y205 HydrophobicContact CD2-CE2 3.66Å; L175-Y205 HydrophobicContact CD2-CG 4.48Å
176P87.5Confident92.7Very high60 Ų6041.7 Ų41.739%0.3924%0.239SC..THydrogen-bonded Turntrans-70.5143176.930.7-35.4000111.1F178 Y205P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 2.88Å; P176-Y205 WeakPolarHBondContact CD-OH 3.37Å; P176-Y205 HydrophobicContact CG-CE1 4.43Å
177G82.5Confident92.8Very high70 Ų7041.4 Ų41.472%0.72224%0.238SC*.THydrogen-bonded Turntrans68.223.4172.500000115.2
178F88.2Confident92.6Very high49 Ų4941 Ų4122%0.21524%0.244CC..  trans-77.6144.9-175.4-171.8-85.6000113.2M157 D158 G159 L175 P176 L180 P181M157-F178 VanDerWaalsContact O-CE1 3.29Å; M157-F178 WeakPolarHBondContact O-CE1 3.27Å; D158-F178 VanDerWaalsContact C-CD1 3.46Å; D158-F178 WeakPolarHBondContact O-CD1 3.45Å; G159-F178 VanDerWaalsContact CA-CD1 3.5Å; G159-F178 VanDerWaalsContact CA-CE1 3.41Å; G159-F178 VanDerWaalsContact CA-CG 3.47Å; G159-F178 VanDerWaalsContact N-CZ 3.26Å; L175-F178 HydrophobicContact CB-CB 4.48Å; L175-F178 HydrophobicContact CB-CD2 4.32Å; L175-F178 HydrophobicContact CD1-CD2 4.25Å; P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 2.88Å; F178-L180 WeakPolarHBondContact CE2-O 3.25Å; F178-L180 WeakPolarHBondContact CZ-O 3.22Å; F178-P181 HydrophobicContact CE2-CB 4.39Å; F178-P181 HydrophobicContact CZ-CB 3.87Å; F178-P181 HydrophobicContact CZ-CG 4.49Å
179L90.4Very high92.5Very high131 Ų13145 Ų4569%0.68625%0.249SC*.SBendtrans-137.9-50.7170.7-178.666.7000111.8
180L93.5Very high92.3Very high90 Ų9042.7 Ų42.747%0.47125%0.245SC..SBendtrans-123.7144.6177.4-65.9174.5000109.3F178F178-L180 WeakPolarHBondContact CE2-O 3.25Å; F178-L180 WeakPolarHBondContact CZ-O 3.22Å
181P94Very high92.4Very high29 Ų2942.3 Ų42.319%0.18824%0.238CC..  trans-67.9137.7172.728.8-32.8000109.9C136 M157 F178C136-P181 HydrophobicContact CB-CB 3.9Å; C136-P181 HydrophobicContact CB-CG 3.99Å; C136-P181 WeakPolarHBondContact SG-CG 3.4Å; M157-P181 HydrophobicContact CE-CG 4.14Å; M157-P181 HydrophobicContact SD-CG 3.95Å; F178-P181 HydrophobicContact CE2-CB 4.39Å; F178-P181 HydrophobicContact CZ-CB 3.87Å; F178-P181 HydrophobicContact CZ-CG 4.49Å
182G93.8Very high92.5Very high13 Ų1341.6 Ų41.613%0.13423%0.234CC..  trans-108.7-178.4168.500000110.7N137 Q155 V196N137-G182 PolarHBondContact ND2-O 3.43Å; N137-G182 VanDerWaalsContact ND2-O 3.1Å; Q155-G182 PolarHBondContact OE1-O 3.14Å; G182-V196 WeakPolarHBondContact CA-O 3.26Å
183P96.3Very high92.7Very high6 Ų641.6 Ų41.64%0.03924%0.235CC..  trans-65.8152.4175.831.5-37.9000110.5T195 V196 A245 I248P183-T195 VanDerWaalsContact O-CA 3.24Å; P183-T195 WeakPolarHBondContact O-CA 3.5Å; P183-T195 WeakPolarHBondContact O-CB 3.5Å; P183-T195 PolarHBondContact O-OG1 3.39Å; P183-V196 HydrophobicContact CG-CB 4.49Å; P183-V196 HydrophobicContact CG-CG2 4.29Å; P183-A245 VanDerWaalsContact CD-O 3.25Å; P183-A245 WeakPolarHBondContact CD-O 3.49Å; P183-A245 HydrophobicContact CG-CB 3.77Å; P183-I248 HydrophobicContact CB-CB 4.2Å; P183-I248 HydrophobicContact CB-CG2 3.62Å; P183-I248 HydrophobicContact CG-CB 4.16Å; P183-I248 HydrophobicContact CG-CG2 3.98Å
184L96.7Very high92.8Very high15 Ų1540.9 Ų40.98%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-130.7128.8-176.6-177.671.7000110.4T139 Q155 L161 F193 L194T139-L184 HydrophobicContact CG2-CD2 3.77Å; T139-L184 HydrophobicContact CG2-CG 3.86Å; Q155-L184 HydrophobicContact CB-CD2 4.16Å; L161-L184 HydrophobicContact CD2-CD1 4.05Å; L161-L184 HydrophobicContact CD2-CD2 3.98Å; L184-F193 HydrophobicContact CD1-CB 4.32Å; L184-L194 WeakPolarHBondContact CA-O 3.22Å
185A96.6Very high93.1Very high7 Ų737.4 Ų37.46%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-138.1157.1173.300000112.3F193 L194 I248 I250A185-F193 CarbonylContact O-C 3.47Å; A185-F193 WeakPolarHBondContact O-CA 3.46Å; A185-L194 PolarHBondContact N-O 3.31Å; A185-L194 PolarHBondContact O-N 3.17Å; A185-I248 HydrophobicContact CB-CG1 4.36Å; A185-I248 HydrophobicContact CB-CG2 3.71Å; A185-I250 HydrophobicContact CB-CD1 3.46Å; A185-I250 VanDerWaalsContact CB-CD1 3.46Å; A185-I250 HydrophobicContact CB-CG1 3.87Å
186Y95.5Very high93.3Very high21 Ų2137 Ų378%0.08222%0.215CC..EExtended strand (participates in β ladder)trans-112.2129.2176.8174.2-102.4000112T139 S142 F143 D191 F193 I250T139-Y186 PolarHBondContact OG1-N 2.94Å; S142-Y186 PolarHBondContact O-OH 3.1Å; F143-Y186 WeakPolarHBondContact CA-OH 3.49Å; F143-Y186 AromaticContact CD1-CD1 3.84Å; F143-Y186 HydrophobicContact CD1-CD1 3.84Å; F143-Y186 AromaticContact CD1-CD2 3.57Å; F143-Y186 HydrophobicContact CD1-CD2 3.57Å; F143-Y186 AromaticContact CD1-CE1 3.82Å; F143-Y186 HydrophobicContact CD1-CE1 3.82Å; F143-Y186 AromaticContact CD1-CE2 3.57Å; F143-Y186 HydrophobicContact CD1-CE2 3.57Å; F143-Y186 AromaticContact CD1-CG 3.72Å; F143-Y186 HydrophobicContact CD1-CG 3.72Å; F143-Y186 AromaticContact CD1-CZ 3.71Å; F143-Y186 AromaticContact CE1-CD1 3.87Å; F143-Y186 HydrophobicContact CE1-CD1 3.87Å; F143-Y186 AromaticContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CE1 4.33Å; F143-Y186 HydrophobicContact CE1-CE2 4.23Å; F143-Y186 AromaticContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CG-CE2 4.39Å; Y186-D191 PolarHBondContact OH-OD1 3.26Å; Y186-F193 AromaticContact CD2-CD1 3.99Å; Y186-F193 HydrophobicContact CD2-CD1 3.99Å; Y186-F193 AromaticContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CG 4.42Å; Y186-F193 HydrophobicContact CD2-CZ 4.16Å; Y186-F193 HydrophobicContact CG-CE1 4.4Å; Y186-I250 WeakPolarHBondContact O-CD1 3.33Å
187S94.1Very high93.5Very high1 Ų134.5 Ų34.51%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-98.2111.2172.3178.60000110.1R189 T190 D191 S192S187-R189 VanDerWaalsContact C-N 3.28Å; S187-R189 PolarHBondContact O-N 2.92Å; S187-T190 VanDerWaalsContact CB-OG1 3.27Å; S187-T190 WeakPolarHBondContact CB-OG1 3.43Å; S187-T190 PolarHBondContact OG-N 3.29Å; S187-T190 PolarHBondContact OG-OG1 3.36Å; S187-D191 VanDerWaalsContact O-CA 3.25Å; S187-D191 WeakPolarHBondContact O-CA 3.36Å; S187-D191 PolarHBondContact O-N 2.91Å; S187-S192 PolarHBondContact N-O 3.36Å; S187-S192 PolarHBondContact O-N 3.4Å
188S91.3Very high94Very high65 Ų6532.5 Ų32.546%0.45517%0.174SC..THydrogen-bonded Turntrans-67.5-27.8174.658.50000113.1
189R90.7Very high94.2Very high141 Ų14133.6 Ų33.653%0.53219%0.187SC..THydrogen-bonded Turntrans-69.8-44.3179.8176.6-176.3-91.3-165.9-9.3112.2S187 D273S187-R189 VanDerWaalsContact C-N 3.28Å; S187-R189 PolarHBondContact O-N 2.92Å; R189-D273 WeakPolarHBondContact CD-OD2 2.84Å; R189-D273 IonicContact CZ-OD2 3.7Å; R189-D273 IonicContact NE-OD2 3.07Å; R189-D273 IonicContact NH1-OD2 2.83Å; R189-D273 PolarHBondContact NH1-OD2 3.31Å
190T92.1Very high94.4Very high41 Ų4130.9 Ų30.925%0.25217%0.171SC..THydrogen-bonded Turntrans-98.8-0.7-178.3550000112.8S187 S192 D273S187-T190 VanDerWaalsContact CB-OG1 3.27Å; S187-T190 WeakPolarHBondContact CB-OG1 3.43Å; S187-T190 PolarHBondContact OG-N 3.29Å; S187-T190 PolarHBondContact OG-OG1 3.36Å; T190-S192 VanDerWaalsContact C-N 3.3Å; T190-S192 PolarHBondContact O-N 2.8Å; T190-S192 PolarHBondContact O-OG 3.28Å; T190-D273 HydrophobicContact CG2-CB 3.85Å
191D94.4Very high94.5Very high28 Ų2828.3 Ų28.315%0.1516%0.156CC..THydrogen-bonded Turntrans4752.6-173.8-169.535.1000111.9G144 Y186 S187 Y207G144-D191 WeakPolarHBondContact CA-OD2 3.33Å; G144-D191 PolarHBondContact N-OD1 2.87Å; Y186-D191 PolarHBondContact OH-OD1 3.26Å; S187-D191 VanDerWaalsContact O-CA 3.25Å; S187-D191 WeakPolarHBondContact O-CA 3.36Å; S187-D191 PolarHBondContact O-N 2.91Å; D191-Y207 PolarHBondContact O-N 3.08Å
192S95.3Very high94.6Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-137.7142.8-171.6-56.60000111.7S187 T190 S204 Y205 K206S187-S192 PolarHBondContact N-O 3.36Å; S187-S192 PolarHBondContact O-N 3.4Å; T190-S192 VanDerWaalsContact C-N 3.3Å; T190-S192 PolarHBondContact O-N 2.8Å; T190-S192 PolarHBondContact O-OG 3.28Å; S192-S204 WeakPolarHBondContact CB-OG 3.47Å; S192-Y205 CarbonylContact C-O 3.59Å; S192-Y205 VanDerWaalsContact CA-O 3.28Å; S192-Y205 WeakPolarHBondContact CA-O 3.43Å; S192-K206 WeakPolarHBondContact OG-CG 3.46Å
193F96.5Very high94.7Very high1 Ų127 Ų270%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-87.3138.8166.5-60.7-83.9000109.9T139 F143 C153 L184 A185 Y186 S204 Y205 Y207 L210T139-F193 HydrophobicContact CG2-CD1 3.98Å; T139-F193 HydrophobicContact CG2-CE1 4.05Å; F143-F193 HydrophobicContact CD1-CE1 4.17Å; F143-F193 HydrophobicContact CD1-CZ 4.04Å; F143-F193 HydrophobicContact CD2-CE1 4.46Å; F143-F193 AromaticContact CD2-CZ 3.9Å; F143-F193 HydrophobicContact CD2-CZ 3.9Å; F143-F193 AromaticContact CE1-CE1 3.66Å; F143-F193 HydrophobicContact CE1-CE1 3.66Å; F143-F193 AromaticContact CE1-CZ 3.95Å; F143-F193 HydrophobicContact CE1-CZ 3.95Å; F143-F193 AromaticContact CE2-CE1 3.99Å; F143-F193 HydrophobicContact CE2-CE1 3.99Å; F143-F193 AromaticContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CG-CZ 4.03Å; F143-F193 AromaticContact CZ-CE1 3.57Å; F143-F193 HydrophobicContact CZ-CE1 3.57Å; F143-F193 AromaticContact CZ-CZ 3.85Å; F143-F193 HydrophobicContact CZ-CZ 3.85Å; C153-F193 HydrophobicContact CB-CD1 4.27Å; C153-F193 HydrophobicContact CB-CE1 3.48Å; C153-F193 VanDerWaalsContact CB-CE1 3.48Å; C153-F193 HydrophobicContact CB-CZ 3.94Å; L184-F193 HydrophobicContact CD1-CB 4.32Å; A185-F193 CarbonylContact O-C 3.47Å; A185-F193 WeakPolarHBondContact O-CA 3.46Å; Y186-F193 AromaticContact CD2-CD1 3.99Å; Y186-F193 HydrophobicContact CD2-CD1 3.99Å; Y186-F193 AromaticContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CG 4.42Å; Y186-F193 HydrophobicContact CD2-CZ 4.16Å; Y186-F193 HydrophobicContact CG-CE1 4.4Å; F193-S204 CarbonylContact O-C 3.56Å; F193-S204 WeakPolarHBondContact O-CA 3.33Å; F193-Y205 PolarHBondContact N-O 2.84Å; F193-Y205 PolarHBondContact O-N 3.46Å; F193-Y207 AromaticContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CG 4.49Å; F193-Y207 HydrophobicContact CZ-CD2 4.14Å; F193-L210 HydrophobicContact CD2-CD1 3.33Å; F193-L210 HydrophobicContact CE2-CD1 3.8Å; F193-L210 HydrophobicContact CG-CD1 4.3Å
194L96.6Very high94.7Very high1 Ų126.8 Ų26.81%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-120133.2176.9-66.997.6000109.4L184 A185 E203 W237 I248 I250 V260L184-L194 WeakPolarHBondContact CA-O 3.22Å; A185-L194 PolarHBondContact N-O 3.31Å; A185-L194 PolarHBondContact O-N 3.17Å; L194-E203 WeakPolarHBondContact CA-O 3.43Å; L194-W237 HydrophobicContact CD2-CH2 3.5Å; L194-W237 HydrophobicContact CD2-CZ2 3.5Å; L194-W237 VanDerWaalsContact CD2-CZ2 3.5Å; L194-I248 HydrophobicContact CB-CD1 3.74Å; L194-I250 HydrophobicContact CD1-CD1 3.56Å; L194-V260 HydrophobicContact CD2-CB 4.36Å; L194-V260 HydrophobicContact CD2-CG1 3.82Å; L194-V260 HydrophobicContact CD2-CG2 3.74Å
195T96.4Very high94.7Very high3 Ų326.1 Ų26.12%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-141.1166.1174.6-167.50000110.4L175 P183 V202 E203 Y205L175-T195 HydrophobicContact CD1-CG2 4.03Å; P183-T195 VanDerWaalsContact O-CA 3.24Å; P183-T195 WeakPolarHBondContact O-CA 3.5Å; P183-T195 WeakPolarHBondContact O-CB 3.5Å; P183-T195 PolarHBondContact O-OG1 3.39Å; T195-V202 CarbonylContact O-C 3.51Å; T195-V202 WeakPolarHBondContact O-CA 3.46Å; T195-E203 HydrophobicContact CG2-CB 4.47Å; T195-E203 PolarHBondContact N-O 3.5Å; T195-E203 PolarHBondContact O-N 3.22Å; T195-Y205 HydrophobicContact CG2-CE2 4.16Å
196V96.1Very high94.6Very high4 Ų429.8 Ų29.82%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-116.5113.6175.1-173.60000109G182 P183 Q201 V202 I241 A245 V262G182-V196 WeakPolarHBondContact CA-O 3.26Å; P183-V196 HydrophobicContact CG-CB 4.49Å; P183-V196 HydrophobicContact CG-CG2 4.29Å; V196-Q201 CarbonylContact C-O 3.53Å; V196-Q201 VanDerWaalsContact CA-O 3.29Å; V196-Q201 WeakPolarHBondContact CA-O 3.4Å; V196-V202 HydrophobicContact CG2-CB 4.5Å; V196-V202 HydrophobicContact CG2-CG2 3.95Å; V196-I241 HydrophobicContact CG1-CD1 4.02Å; V196-A245 HydrophobicContact CB-CB 3.82Å; V196-A245 HydrophobicContact CG1-CB 3.93Å; V196-A245 HydrophobicContact CG2-CB 3.54Å; V196-V262 HydrophobicContact CG2-CG1 4.13Å
197S93.2Very high94.5Very high8 Ų830 Ų306%0.05616%0.155CC..  trans-78.1162.2-177.367.10000112.2C199 Q200 Q201 E203S197-C199 PolarHBondContact O-N 2.9Å; S197-C199 PolarHBondContact OG-SG 3.41Å; S197-Q200 PolarHBondContact O-N 2.94Å; S197-Q201 PolarHBondContact N-O 2.77Å; S197-E203 WeakPolarHBondContact CB-OE1 3.38Å; S197-E203 PolarHBondContact OG-OE1 3.24Å
198S92.9Very high94.4Very high29 Ų2935.8 Ų35.820%0.20318%0.181CC..THydrogen-bonded Turntrans-59.3-18.5177.355.70000113.8Q200S198-Q200 PolarHBondContact O-N 3.38Å
199C92.8Very high94.5Very high72 Ų7235.3 Ų35.349%0.48618%0.176SC..THydrogen-bonded Turntrans-88.219.1172.372.50000114S197 Q201S197-C199 PolarHBondContact O-N 2.9Å; S197-C199 PolarHBondContact OG-SG 3.41Å; C199-Q201 VanDerWaalsContact C-N 3.27Å; C199-Q201 PolarHBondContact O-N 3.02Å; C199-Q201 PolarHBondContact O-NE2 2.74Å; C199-Q201 VanDerWaalsContact SG-CG 3.52Å
200Q94.5Very high94.6Very high73 Ų7328.7 Ų28.734%0.34115%0.151SC..SBendtrans65.928.4172.1-51.6174.4-5.400113.3S197 S198 N240 I241 G242 E243S197-Q200 PolarHBondContact O-N 2.94Å; S198-Q200 PolarHBondContact O-N 3.38Å; Q200-N240 WeakPolarHBondContact O-CA 3.22Å; Q200-N240 PolarHBondContact O-OD1 3.08Å; Q200-I241 WeakPolarHBondContact O-CG1 3.43Å; Q200-I241 PolarHBondContact O-N 2.79Å; Q200-G242 PolarHBondContact OE1-O 3.27Å; Q200-E243 WeakPolarHBondContact CA-O 3.3Å; Q200-E243 VanDerWaalsContact CB-O 3.29Å; Q200-E243 WeakPolarHBondContact CB-O 3.46Å
201Q95Very high94.4Very high36 Ų3628.3 Ų28.317%0.16815%0.152CC..EExtended strand (participates in β ladder)trans-104.4127.5176.8-56.1-62.9-49.100109.8V196 S197 C199 E203 L239 N240V196-Q201 CarbonylContact C-O 3.53Å; V196-Q201 VanDerWaalsContact CA-O 3.29Å; V196-Q201 WeakPolarHBondContact CA-O 3.4Å; S197-Q201 PolarHBondContact N-O 2.77Å; C199-Q201 VanDerWaalsContact C-N 3.27Å; C199-Q201 PolarHBondContact O-N 3.02Å; C199-Q201 PolarHBondContact O-NE2 2.74Å; C199-Q201 VanDerWaalsContact SG-CG 3.52Å; Q201-E203 HydrophobicContact CB-CG 3.9Å; Q201-L239 CarbonylContact C-O 3.5Å; Q201-L239 WeakPolarHBondContact CA-O 3.19Å; Q201-N240 PolarHBondContact NE2-ND2 2.88Å; Q201-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q201-N240 VanDerWaalsContact OE1-CA 3.31Å
202V96.6Very high94.1Very high0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-75.7122159.6-174.30000107.2T195 V196 W237 T238 L239 I241 V262 L271T195-V202 CarbonylContact O-C 3.51Å; T195-V202 WeakPolarHBondContact O-CA 3.46Å; V196-V202 HydrophobicContact CG2-CB 4.5Å; V196-V202 HydrophobicContact CG2-CG2 3.95Å; V202-W237 HydrophobicContact CB-CZ3 4.27Å; V202-W237 HydrophobicContact CG1-CH2 3.97Å; V202-W237 HydrophobicContact CG1-CZ3 3.86Å; V202-T238 CarbonylContact O-C 3.53Å; V202-T238 VanDerWaalsContact O-CA 3.23Å; V202-T238 WeakPolarHBondContact O-CA 3.36Å; V202-L239 HydrophobicContact CB-CB 4.37Å; V202-L239 PolarHBondContact N-O 2.94Å; V202-L239 PolarHBondContact O-N 3.16Å; V202-I241 HydrophobicContact CG2-CD1 4.09Å; V202-I241 HydrophobicContact CG2-CG1 4.24Å; V202-I241 HydrophobicContact CG2-CG2 3.61Å; V202-V262 HydrophobicContact CG2-CG2 4.24Å; V202-L271 HydrophobicContact CB-CD1 4.32Å; V202-L271 HydrophobicContact CG1-CD1 3.97Å; V202-L271 HydrophobicContact CG2-CD1 4.24Å
203E95.8Very high93.6Very high16 Ų1635.1 Ų35.18%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-121.2129.5-173.5-61.8172.6-176.600109.6L194 T195 S197 Q201 Y205 V235 T238L194-E203 WeakPolarHBondContact CA-O 3.43Å; T195-E203 HydrophobicContact CG2-CB 4.47Å; T195-E203 PolarHBondContact N-O 3.5Å; T195-E203 PolarHBondContact O-N 3.22Å; S197-E203 WeakPolarHBondContact CB-OE1 3.38Å; S197-E203 PolarHBondContact OG-OE1 3.24Å; Q201-E203 HydrophobicContact CB-CG 3.9Å; E203-Y205 HydrophobicContact CB-CD2 4.31Å; E203-Y205 HydrophobicContact CB-CE2 3.49Å; E203-Y205 VanDerWaalsContact CB-CE2 3.49Å; E203-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E203-Y205 PolarHBondContact OE2-OH 3.28Å; E203-V235 HydrophobicContact CB-CG1 3.99Å; E203-T238 HydrophobicContact CG-CG2 4.08Å
204S96.1Very high92.7Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-107.3128.4176.7176.60000110.9S192 F193 V235 D236 W237S192-S204 WeakPolarHBondContact CB-OG 3.47Å; F193-S204 CarbonylContact O-C 3.56Å; F193-S204 WeakPolarHBondContact O-CA 3.33Å; S204-V235 WeakPolarHBondContact O-CG1 3.41Å; S204-D236 VanDerWaalsContact O-CB 3.3Å; S204-D236 WeakPolarHBondContact O-CB 3.41Å; S204-D236 PolarHBondContact O-N 3.07Å; S204-W237 PolarHBondContact N-O 3.25Å; S204-W237 PolarHBondContact OG-NE1 2.74Å
205Y95.2Very high91.6Very high1 Ų139.1 Ų39.10%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-123.6112.2-179.6-63.5-88.4000110.1L175 P176 S192 F193 T195 E203 Y207 L233 V235L175-Y205 HydrophobicContact CD2-CD2 4.06Å; L175-Y205 HydrophobicContact CD2-CE1 4.17Å; L175-Y205 HydrophobicContact CD2-CE2 3.66Å; L175-Y205 HydrophobicContact CD2-CG 4.48Å; P176-Y205 WeakPolarHBondContact CD-OH 3.37Å; P176-Y205 HydrophobicContact CG-CE1 4.43Å; S192-Y205 CarbonylContact C-O 3.59Å; S192-Y205 VanDerWaalsContact CA-O 3.28Å; S192-Y205 WeakPolarHBondContact CA-O 3.43Å; F193-Y205 PolarHBondContact N-O 2.84Å; F193-Y205 PolarHBondContact O-N 3.46Å; T195-Y205 HydrophobicContact CG2-CE2 4.16Å; E203-Y205 HydrophobicContact CB-CD2 4.31Å; E203-Y205 HydrophobicContact CB-CE2 3.49Å; E203-Y205 VanDerWaalsContact CB-CE2 3.49Å; E203-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E203-Y205 PolarHBondContact OE2-OH 3.28Å; Y205-Y207 PolarHBondContact O-N 2.84Å; Y205-L233 HydrophobicContact CD1-CD1 4.42Å; Y205-L233 HydrophobicContact CD1-CD2 4.1Å; Y205-L233 HydrophobicContact CD1-CG 4.15Å; Y205-L233 HydrophobicContact CE1-CD2 3.97Å; Y205-L233 HydrophobicContact CE1-CG 4.16Å; Y205-V235 HydrophobicContact CD1-CG1 4.39Å; Y205-V235 HydrophobicContact CE1-CB 4.12Å; Y205-V235 HydrophobicContact CE1-CG1 4.06Å; Y205-V235 HydrophobicContact CE1-CG2 3.64Å; Y205-V235 HydrophobicContact CE2-CG1 4.35Å
206K95.2Very high90.3Very high84 Ų8439.4 Ų39.437%0.36521%0.209SC..EExtended strand (participates in β ladder)trans-60.2133.8174.7-77.3173.2171.5148.90111S192 Q208 V209 L210 D236S192-K206 WeakPolarHBondContact OG-CG 3.46Å; K206-Q208 VanDerWaalsContact C-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.45Å; K206-V209 HydrophobicContact CB-CB 4.24Å; K206-V209 HydrophobicContact CB-CG2 3.87Å; K206-V209 WeakPolarHBondContact O-CB 3.33Å; K206-V209 PolarHBondContact O-N 3.01Å; K206-L210 PolarHBondContact O-N 3.19Å; K206-L210 VanDerWaalsContact O-N 3.13Å; K206-D236 HydrophobicContact CD-CB 4.45Å; K206-D236 VanDerWaalsContact CE-CG 3.45Å; K206-D236 VanDerWaalsContact CE-OD1 3.3Å; K206-D236 WeakPolarHBondContact CE-OD1 3.37Å; K206-D236 VanDerWaalsContact CE-OD2 3.25Å; K206-D236 WeakPolarHBondContact CE-OD2 3.31Å; K206-D236 HydrophobicContact CG-CB 4.25Å; K206-D236 IonicContact NZ-OD1 3.74Å; K206-D236 PolarHBondContact NZ-OD1 2.82Å; K206-D236 IonicContact NZ-OD2 2.8Å; K206-D236 PolarHBondContact NZ-OD2 3.28Å
207Y94.3Very high88.6Confident27 Ų2741.9 Ų41.911%0.10622%0.222CC..Hα-helixtrans-53.8-46.2-179.6167.8-100000111.7F143 V163 F171 D191 F193 Y205 V209 L210 A211F143-Y207 HydrophobicContact CB-CD2 3.67Å; F143-Y207 HydrophobicContact CB-CE2 3.59Å; F143-Y207 HydrophobicContact CB-CG 4.21Å; F143-Y207 HydrophobicContact CD2-CD2 4.48Å; F143-Y207 HydrophobicContact CD2-CE2 4.25Å; F143-Y207 HydrophobicContact CG-CD2 4.27Å; F143-Y207 HydrophobicContact CG-CE2 4.3Å; V163-Y207 HydrophobicContact CG1-CE2 4.34Å; F171-Y207 HydrophobicContact CE1-CE2 4.28Å; F171-Y207 HydrophobicContact CZ-CE2 4.08Å; D191-Y207 PolarHBondContact O-N 3.08Å; F193-Y207 AromaticContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CG 4.49Å; F193-Y207 HydrophobicContact CZ-CD2 4.14Å; Y205-Y207 PolarHBondContact O-N 2.84Å; Y207-V209 VanDerWaalsContact C-N 3.3Å; Y207-V209 PolarHBondContact O-N 3.24Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 2.77Å; Y207-A211 PolarHBondContact O-N 3.44Å
208Q92.5Very high86.9Confident121 Ų12148.4 Ų48.457%0.56525%0.249SC*.Hα-helixtrans-59.3-40.2177.7-63.8-179.3-200112.4K206 L210 A211 F212K206-Q208 VanDerWaalsContact C-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.45Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 2.84Å; Q208-A211 PolarHBondContact O-N 3.32Å; Q208-F212 HydrophobicContact CB-CD2 4.42Å; Q208-F212 HydrophobicContact CB-CE2 4.47Å; Q208-F212 WeakPolarHBondContact O-CB 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.42Å; Q208-F212 PolarHBondContact O-N 3.5Å
209V92.3Very high85Confident56 Ų5654.7 Ų54.734%0.33927%0.268SS..Hα-helixtrans-66.7-39.1-179.81770000110.8K206 Y207 A213 L233K206-V209 HydrophobicContact CB-CB 4.24Å; K206-V209 HydrophobicContact CB-CG2 3.87Å; K206-V209 WeakPolarHBondContact O-CB 3.33Å; K206-V209 PolarHBondContact O-N 3.01Å; Y207-V209 VanDerWaalsContact C-N 3.3Å; Y207-V209 PolarHBondContact O-N 3.24Å; V209-A213 WeakPolarHBondContact O-CB 3.36Å; V209-A213 PolarHBondContact O-N 3.5Å; V209-A213 VanDerWaalsContact O-N 3.16Å; V209-L233 HydrophobicContact CG1-CD1 4.09Å
210L92Very high82.9Confident2 Ų258.4 Ų58.41%0.0128%0.279CS..Hα-helixtrans-64.1-48.6172.7-72.8162000111.2L161 F171 R173 F193 K206 Y207 Q208 F212 A213 L233L161-L210 HydrophobicContact CD1-CD1 4.23Å; L161-L210 HydrophobicContact CD1-CD2 4.43Å; F171-L210 HydrophobicContact CE2-CB 4.16Å; R173-L210 HydrophobicContact CB-CD2 3.96Å; R173-L210 WeakPolarHBondContact CD-O 3.22Å; R173-L210 HydrophobicContact CG-CB 4.45Å; R173-L210 HydrophobicContact CG-CD2 4.23Å; R173-L210 WeakPolarHBondContact CG-O 3.5Å; R173-L210 PolarHBondContact NE-O 3.38Å; F193-L210 HydrophobicContact CD2-CD1 3.33Å; F193-L210 HydrophobicContact CE2-CD1 3.8Å; F193-L210 HydrophobicContact CG-CD1 4.3Å; K206-L210 PolarHBondContact O-N 3.19Å; K206-L210 VanDerWaalsContact O-N 3.13Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 2.77Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 2.84Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.32Å; L210-A213 PolarHBondContact O-N 3.34Å; L210-L233 HydrophobicContact CD2-CD1 3.6Å; L210-L233 HydrophobicContact CD2-CD2 3.72Å; L210-L233 HydrophobicContact CD2-CG 4.32Å; L210-L233 HydrophobicContact CG-CD1 4.16Å
211A89.9Confident80.5Confident33 Ų3363.8 Ų63.827%0.27330%0.304SS..Hα-helixtrans-58.3-42.1179.800000112.3F171 R173 Y207 Q208F171-A211 HydrophobicContact CD1-CB 4.44Å; F171-A211 HydrophobicContact CE1-CB 3.65Å; F171-A211 VanDerWaalsContact CZ-CA 3.5Å; F171-A211 HydrophobicContact CZ-CB 3.7Å; R173-A211 PolarHBondContact NH2-O 2.79Å; Y207-A211 PolarHBondContact O-N 3.44Å; Q208-A211 PolarHBondContact O-N 3.32Å
212F87.6Confident78Confident159 Ų15965.4 Ų65.470%0.69732%0.316SS*.Hα-helixtrans-79.1-13.9179.7-76.6-65000115.3Q208 L210Q208-F212 HydrophobicContact CB-CD2 4.42Å; Q208-F212 HydrophobicContact CB-CE2 4.47Å; Q208-F212 WeakPolarHBondContact O-CB 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.42Å; Q208-F212 PolarHBondContact O-N 3.5Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.32Å
213A84.6Confident75.4Confident12 Ų1274.2 Ų74.210%0.09936%0.357CS..SBendtrans-67.4161.3177.600000111.5R173 V209 L210 D215 L233R173-A213 PolarHBondContact NE-O 3.16Å; R173-A213 PolarHBondContact NH2-O 2.88Å; V209-A213 WeakPolarHBondContact O-CB 3.36Å; V209-A213 PolarHBondContact O-N 3.5Å; V209-A213 VanDerWaalsContact O-N 3.16Å; L210-A213 PolarHBondContact O-N 3.34Å; A213-D215 PolarHBondContact O-N 2.8Å; A213-L233 HydrophobicContact CB-CD1 4.1Å
214T77.4Confident72.6Confident52 Ų5282.6 Ų82.632%0.31940%0.397SS..PPolyproline II helixtrans-67.7134.3-179.5-54.10000111.2R173 G230 K231R173-T214 WeakPolarHBondContact CD-O 3.32Å; T214-G230 WeakPolarHBondContact OG1-CA 3.5Å; T214-K231 PolarHBondContact OG1-N 3.34Å
215D73.5Confident69.7Low33 Ų3390 Ų9018%0.17643%0.431CS..PPolyproline II helixtrans-63140.2178.7-138-46.1000113.7R173 A213 D217 K218R173-D215 IonicContact CZ-OD2 3.6Å; R173-D215 IonicContact NH1-OD1 2.77Å; R173-D215 PolarHBondContact NH1-OD1 2.83Å; R173-D215 VanDerWaalsContact NH1-OD1 3.11Å; R173-D215 IonicContact NH1-OD2 2.75Å; R173-D215 PolarHBondContact NH1-OD2 3.34Å; R173-D215 IonicContact NH2-OD2 2.78Å; A213-D215 PolarHBondContact O-N 2.8Å; D215-D217 VanDerWaalsContact C-N 3.31Å; D215-K218 HydrophobicContact CB-CD 4.44Å; D215-K218 HydrophobicContact CB-CG 4.31Å
216A68.4Low66.7Low9 Ų999.4 Ų99.47%0.07447%0.472CS..SBendtrans-62.5-40.917800000111M160 G172 F174 K218 R219M160-A216 HydrophobicContact CE-CB 3.56Å; M160-A216 HydrophobicContact SD-CB 4.04Å; G172-A216 PolarHBondContact O-N 2.9Å; F174-A216 HydrophobicContact CD2-CB 3.66Å; F174-A216 HydrophobicContact CE2-CB 3.6Å; A216-K218 PolarHBondContact O-N 3.29Å; A216-R219 PolarHBondContact O-N 3.13Å; A216-R219 VanDerWaalsContact O-N 3.1Å
217D61.7Low63.6Low56 Ų56104.3 Ų104.330%0.29950%0.502SS..Hα-helixtrans-68.2-25.8-173.6-62.1-23.8000112.3D215 R219D215-D217 VanDerWaalsContact C-N 3.31Å; D217-R219 PolarHBondContact O-N 3.29Å
218K56.6Low60.6Low146 Ų146107 Ų10764%0.63554%0.537SS*.Hα-helixtrans-71.9-15.2176.5-67.9-175.9179.1179.30113.7D215 A216 T222D215-K218 HydrophobicContact CB-CD 4.44Å; D215-K218 HydrophobicContact CB-CG 4.31Å; A216-K218 PolarHBondContact O-N 3.29Å; K218-T222 PolarHBondContact O-OG1 3.45Å
219R53.4Low58.1Low160 Ų160107.1 Ų107.160%0.60455%0.551SS**Hα-helixtrans-78.3-29.2179.6-75-173.5179.2168.93.1113.3A216 D217 E221 T222A216-R219 PolarHBondContact O-N 3.13Å; A216-R219 VanDerWaalsContact O-N 3.1Å; D217-R219 PolarHBondContact O-N 3.29Å; R219-E221 PolarHBondContact O-N 3.48Å; R219-T222 PolarHBondContact O-N 3.22Å
220Q47.4Very low56.1Low151 Ų151106.4 Ų106.471%0.70656%0.555SS**Hα-helixtrans-73.8-23.7-177-76.2-173.8-11.800113.7
221E44.4Very low54.5Low185 Ų185113.8 Ų113.886%0.86459%0.587SS**THydrogen-bonded Turntrans-87-8.8176.5-68.7-173.5157.900113.9R219R219-E221 PolarHBondContact O-N 3.48Å
222T43.4Very low53.4Low70 Ų70123.1 Ų123.143%0.42962%0.615SS.*  trans-123.432.7-164.6-26.80000114.5K218 R219 Q224 Q225K218-T222 PolarHBondContact O-OG1 3.45Å; R219-T222 PolarHBondContact O-N 3.22Å; T222-Q224 PolarHBondContact O-N 3.3Å; T222-Q224 VanDerWaalsContact O-N 3.13Å; T222-Q225 HydrophobicContact CG2-CB 4.08Å; T222-Q225 PolarHBondContact O-N 3.21Å
223E41.4Very low53.2Low185 Ų185117 Ų11786%0.86459%0.59SS**THydrogen-bonded Turntrans-69.5-2.7175.5-72.7-162.1151.800114.4
224Q38.4Very low53.2Low193 Ų193121.1 Ų121.190%0.90261%0.613SS**THydrogen-bonded Turntrans-107.42.9177.1-73.4-173.7-3.800116T222T222-Q224 PolarHBondContact O-N 3.3Å; T222-Q224 VanDerWaalsContact O-N 3.13Å
225Q34Very low53.9Low154 Ų154120.6 Ų120.672%0.7261%0.61SS**SBendtrans-128.3103.3177.8-70.9-176.43.500113.7T222T222-Q225 HydrophobicContact CG2-CB 4.08Å; T222-Q225 PolarHBondContact O-N 3.21Å
226K31.9Very low54.8Low200 Ų200122.1 Ų122.187%0.8762%0.618SS**  trans45.2115.1142.4-67.9-177.5176.9178.80118G228K226-G228 PolarHBondContact O-N 3.22Å
227L29.7Very low56.1Low187 Ų187123.3 Ų123.398%0.97962%0.621SS**SBendtrans-29.4121.6155-67.585.7000112.9
228G31.4Very low57.7Low82 Ų82124.5 Ų124.585%0.84563%0.63SS**  trans137.91.4146.800000121.5K226K226-G228 PolarHBondContact O-N 3.22Å
229S41.7Very low59.6Low125 Ų125119.1 Ų119.187%0.87461%0.608SS**  trans-117.810.1-171.476.10000118
230G49Very low61.7Low40 Ų40116 Ų11641%0.41260%0.604SS.*PPolyproline II helixtrans-94.9124.4174.300000112.7T214 R232T214-G230 WeakPolarHBondContact OG1-CA 3.5Å; G230-R232 PolarHBondContact O-N 2.64Å
231K58.8Low64Low158 Ų158109.5 Ų109.569%0.68757%0.573SS**PPolyproline II helixtrans-62118.3170.4-78.2-176.2179.4177.90108.3T214T214-K231 PolarHBondContact OG1-N 3.34Å
232R67Low66.4Low228 Ų228102.7 Ų102.786%0.8655%0.553SS**PPolyproline II helixtrans-61.9136.9173.9-76.5-176.4176.1-176.4-1.9109.2G230 V234G230-R232 PolarHBondContact O-N 2.64Å; R232-V234 PolarHBondContact O-N 3.02Å
233L83.1Confident68.8Low32 Ų3299.4 Ų99.417%0.16853%0.532CS..PPolyproline II helixtrans-64.3127.8171.2-176.562.5000108.5Y205 V209 L210 A213Y205-L233 HydrophobicContact CD1-CD1 4.42Å; Y205-L233 HydrophobicContact CD1-CD2 4.1Å; Y205-L233 HydrophobicContact CD1-CG 4.15Å; Y205-L233 HydrophobicContact CE1-CD2 3.97Å; Y205-L233 HydrophobicContact CE1-CG 4.16Å; V209-L233 HydrophobicContact CG1-CD1 4.09Å; L210-L233 HydrophobicContact CD2-CD1 3.6Å; L210-L233 HydrophobicContact CD2-CD2 3.72Å; L210-L233 HydrophobicContact CD2-CG 4.32Å; L210-L233 HydrophobicContact CG-CD1 4.16Å; A213-L233 HydrophobicContact CB-CD1 4.1Å
234V84.3Confident71.3Confident97 Ų9793.8 Ų93.859%0.58851%0.506SS*.  trans-112.3129.3-179.4179.50000108.3R232R232-V234 PolarHBondContact O-N 3.02Å
235V91.4Very high74.1Confident41 Ų4185.1 Ų85.125%0.24847%0.468CS..  trans-74.5138.5173.8-159.50000109E203 S204 Y205 W237 T238E203-V235 HydrophobicContact CB-CG1 3.99Å; S204-V235 WeakPolarHBondContact O-CG1 3.41Å; Y205-V235 HydrophobicContact CD1-CG1 4.39Å; Y205-V235 HydrophobicContact CE1-CB 4.12Å; Y205-V235 HydrophobicContact CE1-CG1 4.06Å; Y205-V235 HydrophobicContact CE1-CG2 3.64Å; Y205-V235 HydrophobicContact CE2-CG1 4.35Å; V235-W237 WeakPolarHBondContact CG1-O 3.44Å; V235-T238 HydrophobicContact CB-CG2 4.15Å; V235-T238 HydrophobicContact CG1-CG2 3.7Å; V235-T238 HydrophobicContact CG2-CG2 4.45Å
236D93.7Very high77Confident66 Ų6680.7 Ų80.735%0.35345%0.449SS..SBendtrans-69.6-50.5177.3-170.940.4000111S204 K206S204-D236 VanDerWaalsContact O-CB 3.3Å; S204-D236 WeakPolarHBondContact O-CB 3.41Å; S204-D236 PolarHBondContact O-N 3.07Å; K206-D236 HydrophobicContact CD-CB 4.45Å; K206-D236 VanDerWaalsContact CE-CG 3.45Å; K206-D236 VanDerWaalsContact CE-OD1 3.3Å; K206-D236 WeakPolarHBondContact CE-OD1 3.37Å; K206-D236 VanDerWaalsContact CE-OD2 3.25Å; K206-D236 WeakPolarHBondContact CE-OD2 3.31Å; K206-D236 HydrophobicContact CG-CB 4.25Å; K206-D236 IonicContact NZ-OD1 3.74Å; K206-D236 PolarHBondContact NZ-OD1 2.82Å; K206-D236 IonicContact NZ-OD2 2.8Å; K206-D236 PolarHBondContact NZ-OD2 3.28Å
237W95.6Very high80.1Confident34 Ų3472.8 Ų72.813%0.12942%0.416CS..EExtended strand (participates in β ladder)trans-153.4158172.156.5-102.6000110.7L194 V202 S204 V235 L239 L271 D273 G275L194-W237 HydrophobicContact CD2-CH2 3.5Å; L194-W237 HydrophobicContact CD2-CZ2 3.5Å; L194-W237 VanDerWaalsContact CD2-CZ2 3.5Å; V202-W237 HydrophobicContact CB-CZ3 4.27Å; V202-W237 HydrophobicContact CG1-CH2 3.97Å; V202-W237 HydrophobicContact CG1-CZ3 3.86Å; S204-W237 PolarHBondContact N-O 3.25Å; S204-W237 PolarHBondContact OG-NE1 2.74Å; V235-W237 WeakPolarHBondContact CG1-O 3.44Å; W237-L239 HydrophobicContact CZ3-CB 4.35Å; W237-L271 HydrophobicContact CH2-CD1 4.22Å; W237-L271 HydrophobicContact CZ3-CD1 4.49Å; W237-D273 PolarHBondContact NE1-O 3.5Å; W237-G275 VanDerWaalsContact CD2-CA 3.48Å; W237-G275 VanDerWaalsContact CE3-CA 3.43Å
238T95.4Very high83.3Confident81 Ų8164.2 Ų64.250%0.49737%0.371SS..EExtended strand (participates in β ladder)trans-131.4145.4176.958.30000110.6V202 E203 V235V202-T238 CarbonylContact O-C 3.53Å; V202-T238 VanDerWaalsContact O-CA 3.23Å; V202-T238 WeakPolarHBondContact O-CA 3.36Å; E203-T238 HydrophobicContact CG-CG2 4.08Å; V235-T238 HydrophobicContact CB-CG2 4.15Å; V235-T238 HydrophobicContact CG1-CG2 3.7Å; V235-T238 HydrophobicContact CG2-CG2 4.45Å
239L96.9Very high86.4Confident32 Ų3261.9 Ų61.917%0.16834%0.341CS..EExtended strand (participates in β ladder)trans-133.7121.4172.5175.772.5000110.5Q201 V202 W237 I241 L271 I277Q201-L239 CarbonylContact C-O 3.5Å; Q201-L239 WeakPolarHBondContact CA-O 3.19Å; V202-L239 HydrophobicContact CB-CB 4.37Å; V202-L239 PolarHBondContact N-O 2.94Å; V202-L239 PolarHBondContact O-N 3.16Å; W237-L239 HydrophobicContact CZ3-CB 4.35Å; L239-I241 HydrophobicContact CD2-CG2 3.91Å; L239-I241 HydrophobicContact CG-CG2 4.16Å; L239-I241 PolarHBondContact O-N 3.33Å; L239-L271 HydrophobicContact CD2-CD1 3.77Å; L239-L271 HydrophobicContact CD2-CD2 3.37Å; L239-L271 HydrophobicContact CD2-CG 4.2Å; L239-I277 HydrophobicContact CD1-CG1 4.33Å; L239-I277 HydrophobicContact CD2-CD1 4.34Å; L239-I277 HydrophobicContact CD2-CG1 3.71Å
240N96.4Very high88.8Confident96 Ų9657.5 Ų57.551%0.51331%0.308SS..EExtended strand (participates in β ladder)trans-76.2115.1171.6-167.3-19.5000110.2Q200 Q201 G242Q200-N240 WeakPolarHBondContact O-CA 3.22Å; Q200-N240 PolarHBondContact O-OD1 3.08Å; Q201-N240 PolarHBondContact NE2-ND2 2.88Å; Q201-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q201-N240 VanDerWaalsContact OE1-CA 3.31Å; N240-G242 PolarHBondContact OD1-N 2.68Å
241I96Very high90.6Very high13 Ų1356.2 Ų56.27%0.06729%0.292CS..  trans-97.2-9.2178.756.4163.1000113.2V196 Q200 V202 L239 E243 V262 F269V196-I241 HydrophobicContact CG1-CD1 4.02Å; Q200-I241 WeakPolarHBondContact O-CG1 3.43Å; Q200-I241 PolarHBondContact O-N 2.79Å; V202-I241 HydrophobicContact CG2-CD1 4.09Å; V202-I241 HydrophobicContact CG2-CG1 4.24Å; V202-I241 HydrophobicContact CG2-CG2 3.61Å; L239-I241 HydrophobicContact CD2-CG2 3.91Å; L239-I241 HydrophobicContact CG-CG2 4.16Å; L239-I241 PolarHBondContact O-N 3.33Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 HydrophobicContact CD1-CG 4.37Å; I241-E243 WeakPolarHBondContact CD1-O 3.42Å; I241-E243 WeakPolarHBondContact CG1-O 3.36Å; I241-V262 HydrophobicContact CD1-CG1 4.19Å; I241-F269 HydrophobicContact CB-CD2 4.45Å; I241-F269 HydrophobicContact CB-CE1 4.26Å; I241-F269 HydrophobicContact CB-CE2 3.88Å; I241-F269 HydrophobicContact CB-CZ 3.79Å; I241-F269 HydrophobicContact CD1-CE2 4.3Å; I241-F269 HydrophobicContact CG2-CD1 4.36Å; I241-F269 HydrophobicContact CG2-CD2 4.37Å; I241-F269 HydrophobicContact CG2-CE1 4.26Å; I241-F269 HydrophobicContact CG2-CE2 4.26Å; I241-F269 HydrophobicContact CG2-CG 4.41Å; I241-F269 HydrophobicContact CG2-CZ 4.22Å; I241-F269 WeakPolarHBondContact O-CZ 3.49Å
242G94.1Very high91.6Very high42 Ų4252.2 Ų52.243%0.43328%0.284SS..SBendtrans78.310.8177.400000115.5Q200 N240Q200-G242 PolarHBondContact OE1-O 3.27Å; N240-G242 PolarHBondContact OD1-N 2.68Å
243E94.9Very high92.1Very high1 Ų143.9 Ų43.91%0.00525%0.254CS..SBendtrans-160.7171.3174.661.6-170169.600111.9Q200 I241 G264 R266 N267Q200-E243 WeakPolarHBondContact CA-O 3.3Å; Q200-E243 VanDerWaalsContact CB-O 3.29Å; Q200-E243 WeakPolarHBondContact CB-O 3.46Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 HydrophobicContact CD1-CG 4.37Å; I241-E243 WeakPolarHBondContact CD1-O 3.42Å; I241-E243 WeakPolarHBondContact CG1-O 3.36Å; E243-G264 WeakPolarHBondContact OE1-CA 3.5Å; E243-R266 WeakPolarHBondContact OE2-CA 3.46Å; E243-R266 VanDerWaalsContact OE2-CB 3.24Å; E243-R266 WeakPolarHBondContact OE2-CB 3.4Å; E243-R266 IonicContact OE2-CZ 3.41Å; E243-R266 PolarHBondContact OE2-N 3.46Å; E243-R266 IonicContact OE2-NE 3.47Å; E243-R266 IonicContact OE2-NH2 3.71Å; E243-N267 WeakPolarHBondContact OE1-CA 3.44Å; E243-N267 WeakPolarHBondContact OE1-CB 3.49Å; E243-N267 PolarHBondContact OE1-N 2.88Å; E243-N267 PolarHBondContact OE1-ND2 3.35Å; E243-N267 PolarHBondContact OE2-ND2 3.1Å
244Q94.3Very high91.2Very high67 Ų6750.9 Ų50.931%0.31329%0.291SS..  trans-78.4159.1167.7-69.7-171.83.900110.5G264 E265Q244-G264 WeakPolarHBondContact O-CA 3.45Å; Q244-E265 PolarHBondContact O-N 2.93Å
245A96.6Very high90.1Very high12 Ų1252.8 Ų52.810%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-105.1138.5174.700000110.6P183 V196 V262 L263P183-A245 VanDerWaalsContact CD-O 3.25Å; P183-A245 WeakPolarHBondContact CD-O 3.49Å; P183-A245 HydrophobicContact CG-CB 3.77Å; V196-A245 HydrophobicContact CB-CB 3.82Å; V196-A245 HydrophobicContact CG1-CB 3.93Å; V196-A245 HydrophobicContact CG2-CB 3.54Å; A245-V262 HydrophobicContact CB-CG1 3.49Å; A245-V262 VanDerWaalsContact CB-CG1 3.49Å; A245-L263 CarbonylContact C-O 3.56Å; A245-L263 VanDerWaalsContact CA-O 3.3Å; A245-L263 WeakPolarHBondContact CA-O 3.41Å
246L95.7Very high88.9Confident60 Ų6051.9 Ų51.931%0.31429%0.29SS..EExtended strand (participates in β ladder)trans-76.2-46.1170.6-61.6176.2000110Q22 L263 E265 P287Q22-L246 PolarHBondContact OE1-O 2.92Å; L246-L263 HydrophobicContact CB-CD2 4.36Å; L246-L263 HydrophobicContact CD1-CD2 4.29Å; L246-L263 PolarHBondContact N-O 3.37Å; L246-E265 HydrophobicContact CD2-CG 4.43Å; L246-P287 HydrophobicContact CD1-CG 4.13Å; L246-P287 VanDerWaalsContact CD1-O 3.24Å; L246-P287 WeakPolarHBondContact CD1-O 3.24Å
247D96.6Very high88.2Confident35 Ų3551 Ų5119%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-148.7154.5-174-170.114.5000111.5L263 F290D247-L263 PolarHBondContact O-N 3.28Å; D247-F290 HydrophobicContact CB-CD1 3.88Å; D247-F290 HydrophobicContact CB-CE1 3.6Å; D247-F290 WeakPolarHBondContact OD2-CE1 3.06Å
248I96.9Very high87.7Confident7 Ų749.4 Ų49.44%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-136.7124.9178.1-171.2170.3000109.9P183 A185 L194 V260 F261 V262P183-I248 HydrophobicContact CB-CB 4.2Å; P183-I248 HydrophobicContact CB-CG2 3.62Å; P183-I248 HydrophobicContact CG-CB 4.16Å; P183-I248 HydrophobicContact CG-CG2 3.98Å; A185-I248 HydrophobicContact CB-CG1 4.36Å; A185-I248 HydrophobicContact CB-CG2 3.71Å; L194-I248 HydrophobicContact CB-CD1 3.74Å; I248-V260 HydrophobicContact CD1-CG1 3.84Å; I248-V260 HydrophobicContact CG1-CG1 3.97Å; I248-F261 WeakPolarHBondContact CA-O 3.35Å; I248-F261 WeakPolarHBondContact CG1-O 3.43Å; I248-V262 HydrophobicContact CD1-CG2 4.11Å; I248-V262 HydrophobicContact CG1-CG2 4.1Å
249C95.2Very high87.5Confident32 Ų3245.6 Ų45.622%0.21626%0.262CS..EExtended strand (participates in β ladder)trans-129.3131.6-177.4-171.50000110.3F261 F290 P292C249-F261 PolarHBondContact N-O 2.88Å; C249-F261 PolarHBondContact O-N 3.09Å; C249-F290 HydrophobicContact CB-CE1 4.27Å; C249-F290 HydrophobicContact CB-CE2 4.08Å; C249-F290 HydrophobicContact CB-CZ 3.59Å; C249-P292 HydrophobicContact CB-CG 3.83Å; C249-P292 WeakPolarHBondContact SG-CG 3.23Å
250I93.4Very high87.4Confident34 Ų3444.1 Ų44.117%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-111.6121.4-179.7-58.3164.5000107.5A185 Y186 L194 V260A185-I250 HydrophobicContact CB-CD1 3.46Å; A185-I250 VanDerWaalsContact CB-CD1 3.46Å; A185-I250 HydrophobicContact CB-CG1 3.87Å; Y186-I250 WeakPolarHBondContact O-CD1 3.33Å; L194-I250 HydrophobicContact CD1-CD1 3.56Å; I250-V260 HydrophobicContact CG1-CG1 4.25Å; I250-V260 HydrophobicContact CG1-CG2 4.27Å
251V86.5Confident87.4Confident12 Ų1239.6 Ų39.67%0.07323%0.23CC..EExtended strand (participates in β ladder)trans-117.1137.2179.8-690000111.4F253 S258 S259 F261 P292 I301V251-F253 HydrophobicContact CB-CD2 4.16Å; V251-F253 HydrophobicContact CB-CE1 4.5Å; V251-F253 HydrophobicContact CB-CE2 3.64Å; V251-F253 HydrophobicContact CB-CZ 3.83Å; V251-F253 HydrophobicContact CG1-CE1 4.46Å; V251-F253 HydrophobicContact CG1-CE2 3.88Å; V251-F253 HydrophobicContact CG1-CZ 3.67Å; V251-F253 HydrophobicContact CG2-CD2 4.39Å; V251-F253 HydrophobicContact CG2-CE2 3.93Å; V251-S258 WeakPolarHBondContact O-CA 3.29Å; V251-S259 PolarHBondContact N-O 3Å; V251-S259 PolarHBondContact O-N 3.18Å; V251-F261 HydrophobicContact CG2-CD2 3.74Å; V251-F261 HydrophobicContact CG2-CE2 3.46Å; V251-F261 VanDerWaalsContact CG2-CE2 3.46Å; V251-P292 HydrophobicContact CG1-CB 3.89Å; V251-P292 HydrophobicContact CG1-CG 3.49Å; V251-P292 VanDerWaalsContact CG1-CG 3.49Å; V251-P292 HydrophobicContact CG2-CB 4.28Å; V251-P292 HydrophobicContact CG2-CG 4.45Å; V251-I301 HydrophobicContact CG2-CD1 3.84Å; V251-I301 HydrophobicContact CG2-CG2 4.43Å
252S80.2Confident87.5Confident74 Ų7439 Ų3952%0.51723%0.227SC..  trans-133.275.9174.659.40000109.1
253F77.7Confident87.7Confident53 Ų5337 Ų3723%0.23221%0.206CC..  trans-79.1145173.2-54.7-56.3000110.1V251 Q255 S256 C294 I301V251-F253 HydrophobicContact CB-CD2 4.16Å; V251-F253 HydrophobicContact CB-CE1 4.5Å; V251-F253 HydrophobicContact CB-CE2 3.64Å; V251-F253 HydrophobicContact CB-CZ 3.83Å; V251-F253 HydrophobicContact CG1-CE1 4.46Å; V251-F253 HydrophobicContact CG1-CE2 3.88Å; V251-F253 HydrophobicContact CG1-CZ 3.67Å; V251-F253 HydrophobicContact CG2-CD2 4.39Å; V251-F253 HydrophobicContact CG2-CE2 3.93Å; F253-Q255 PolarHBondContact O-N 3.45Å; F253-S256 PolarHBondContact O-N 3.04Å; F253-S256 VanDerWaalsContact O-O 3.12Å; F253-C294 WeakPolarHBondContact CD1-SG 3.38Å; F253-C294 WeakPolarHBondContact CE1-SG 3.28Å; F253-I301 HydrophobicContact CE2-CG2 4.13Å
254N63.4Low87.8Confident179 Ų17937 Ų3796%0.95721%0.206SC*.THydrogen-bonded Turntrans-56-22.8-176.3-73.2-17000114.3
255Q61.6Low87.8Confident138 Ų13837.3 Ų37.365%0.64521%0.208SC*.THydrogen-bonded Turntrans-100.50.6-176-64.8-179.6-700114.3F253F253-Q255 PolarHBondContact O-N 3.45Å
256S66.5Low87.8Confident22 Ų2241.8 Ų41.815%0.15422%0.222CC..SBendtrans-136.2149.5-172.8-59.90000111.9F253 S258F253-S256 PolarHBondContact O-N 3.04Å; F253-S256 VanDerWaalsContact O-O 3.12Å; S256-S258 PolarHBondContact O-N 2.9Å
257A77.6Confident87.8Confident47 Ų4740 Ų4039%0.38821%0.213SC..  trans-62.3138.116900000109.5S259A257-S259 PolarHBondContact O-N 3.28Å; A257-S259 PolarHBondContact O-OG 2.9Å
258S85.7Confident87.9Confident1 Ų138.3 Ų38.31%0.00720%0.204CC..  trans-52.9139.2172.4-166.70000109.9V251 S256 R278V251-S258 WeakPolarHBondContact O-CA 3.29Å; S256-S258 PolarHBondContact O-N 2.9Å; S258-R278 PolarHBondContact O-NH2 3.07Å
259S91.3Very high87.9Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-147.1137.1-173.8-49.80000108.7V251 A257 R278V251-S259 PolarHBondContact N-O 3Å; V251-S259 PolarHBondContact O-N 3.18Å; A257-S259 PolarHBondContact O-N 3.28Å; A257-S259 PolarHBondContact O-OG 2.9Å; S259-R278 PolarHBondContact OG-NH1 3.36Å; S259-R278 PolarHBondContact OG-NH2 2.86Å
260V95Very high87.9Confident2 Ų236.6 Ų36.61%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-96.2116.3175.4-179.80000107L194 I248 I250 V262 C270 L271L194-V260 HydrophobicContact CD2-CB 4.36Å; L194-V260 HydrophobicContact CD2-CG1 3.82Å; L194-V260 HydrophobicContact CD2-CG2 3.74Å; I248-V260 HydrophobicContact CD1-CG1 3.84Å; I248-V260 HydrophobicContact CG1-CG1 3.97Å; I250-V260 HydrophobicContact CG1-CG1 4.25Å; I250-V260 HydrophobicContact CG1-CG2 4.27Å; V260-V262 HydrophobicContact CG1-CG2 4.2Å; V260-C270 CarbonylContact O-C 3.56Å; V260-C270 WeakPolarHBondContact O-CA 3.4Å; V260-L271 HydrophobicContact CB-CB 4.18Å; V260-L271 PolarHBondContact N-O 2.97Å; V260-L271 VanDerWaalsContact N-O 3.08Å; V260-L271 PolarHBondContact O-N 2.91Å
261F96.3Very high88Confident1 Ų135 Ų350%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-97.9135.7173.9-69.5-92.4000110.4I248 C249 V251 F268 F269 C270 F279 F290 P292 I301I248-F261 WeakPolarHBondContact CA-O 3.35Å; I248-F261 WeakPolarHBondContact CG1-O 3.43Å; C249-F261 PolarHBondContact N-O 2.88Å; C249-F261 PolarHBondContact O-N 3.09Å; V251-F261 HydrophobicContact CG2-CD2 3.74Å; V251-F261 HydrophobicContact CG2-CE2 3.46Å; V251-F261 VanDerWaalsContact CG2-CE2 3.46Å; F261-F268 HydrophobicContact CB-CE2 4.31Å; F261-F268 HydrophobicContact CD1-CE1 4.28Å; F261-F268 AromaticContact CD1-CE2 3.67Å; F261-F268 HydrophobicContact CD1-CE2 3.67Å; F261-F268 AromaticContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CE1-CE1 4.39Å; F261-F268 HydrophobicContact CE1-CE2 4.49Å; F261-F268 AromaticContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CG-CE2 4.44Å; F261-F268 HydrophobicContact CG-CZ 4.41Å; F261-F269 CarbonylContact C-O 3.6Å; F261-F269 VanDerWaalsContact CA-O 3.31Å; F261-F269 WeakPolarHBondContact CA-O 3.49Å; F261-C270 HydrophobicContact CD1-CB 3.88Å; F261-C270 HydrophobicContact CE1-CB 3.68Å; F261-C270 HydrophobicContact CZ-CB 4.29Å; F261-F279 HydrophobicContact CE1-CE2 4.16Å; F261-F279 AromaticContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CZ-CZ 4.3Å; F261-F290 HydrophobicContact CB-CE2 3.53Å; F261-F290 HydrophobicContact CB-CZ 3.97Å; F261-F290 HydrophobicContact CG-CE2 4.48Å; F261-P292 HydrophobicContact CD2-CB 4.17Å; F261-P292 HydrophobicContact CD2-CG 4.28Å; F261-P292 HydrophobicContact CE2-CB 4.33Å; F261-I301 HydrophobicContact CE2-CB 4.36Å; F261-I301 HydrophobicContact CE2-CD1 3.62Å; F261-I301 HydrophobicContact CE2-CG2 3.96Å; F261-I301 HydrophobicContact CZ-CB 3.84Å; F261-I301 HydrophobicContact CZ-CD1 3.74Å; F261-I301 HydrophobicContact CZ-CG1 4.35Å; F261-I301 HydrophobicContact CZ-CG2 3.72Å
262V97.6Very high88.3Confident0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-127.6125.2179.4-172.30000108.2V196 V202 I241 A245 I248 V260 F269 L271V196-V262 HydrophobicContact CG2-CG1 4.13Å; V202-V262 HydrophobicContact CG2-CG2 4.24Å; I241-V262 HydrophobicContact CD1-CG1 4.19Å; A245-V262 HydrophobicContact CB-CG1 3.49Å; A245-V262 VanDerWaalsContact CB-CG1 3.49Å; I248-V262 HydrophobicContact CD1-CG2 4.11Å; I248-V262 HydrophobicContact CG1-CG2 4.1Å; V260-V262 HydrophobicContact CG1-CG2 4.2Å; V262-F269 HydrophobicContact CB-CB 4.22Å; V262-F269 HydrophobicContact CB-CD2 4.5Å; V262-F269 PolarHBondContact N-O 3.38Å; V262-F269 PolarHBondContact O-N 3.36Å; V262-L271 HydrophobicContact CG2-CD1 4.06Å; V262-L271 HydrophobicContact CG2-CG 4.45Å
263L97.9Very high88.8Confident0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-97.6102.6171.8-173.471.9000108.5A245 L246 D247 F268 L283 P287 F290 I305A245-L263 CarbonylContact C-O 3.56Å; A245-L263 VanDerWaalsContact CA-O 3.3Å; A245-L263 WeakPolarHBondContact CA-O 3.41Å; L246-L263 HydrophobicContact CB-CD2 4.36Å; L246-L263 HydrophobicContact CD1-CD2 4.29Å; L246-L263 PolarHBondContact N-O 3.37Å; D247-L263 PolarHBondContact O-N 3.28Å; L263-F268 HydrophobicContact CD1-CD2 4.35Å; L263-L283 HydrophobicContact CD1-CD1 4.33Å; L263-P287 HydrophobicContact CD1-CB 3.67Å; L263-P287 HydrophobicContact CD1-CG 3.93Å; L263-P287 HydrophobicContact CD2-CB 4.01Å; L263-P287 HydrophobicContact CD2-CG 4.43Å; L263-P287 HydrophobicContact CG-CB 4.03Å; L263-P287 HydrophobicContact CG-CG 4.07Å; L263-F290 HydrophobicContact CB-CD1 3.44Å; L263-F290 VanDerWaalsContact CB-CD1 3.44Å; L263-F290 HydrophobicContact CB-CE1 3.63Å; L263-F290 HydrophobicContact CB-CG 3.93Å; L263-F290 HydrophobicContact CB-CZ 4.29Å; L263-F290 HydrophobicContact CD1-CB 4.22Å; L263-F290 HydrophobicContact CD1-CG 4.35Å; L263-F290 HydrophobicContact CD2-CB 3.9Å; L263-F290 HydrophobicContact CD2-CD1 3.67Å; L263-F290 HydrophobicContact CD2-CG 4.04Å; L263-F290 HydrophobicContact CG-CB 4.47Å; L263-F290 HydrophobicContact CG-CD1 4.1Å; L263-F290 HydrophobicContact CG-CG 4.35Å; L263-I305 HydrophobicContact CD1-CG2 3.89Å
264G97.1Very high89.4Confident0 Ų038.7 Ų38.70%020%0.196CC..EExtended strand (participates in β ladder)trans-73.9169.6168.800000112E243 Q244 R266 N267 P287E243-G264 WeakPolarHBondContact OE1-CA 3.5Å; Q244-G264 WeakPolarHBondContact O-CA 3.45Å; G264-R266 PolarHBondContact O-N 2.89Å; G264-N267 VanDerWaalsContact CA-O 3.26Å; G264-N267 WeakPolarHBondContact CA-O 3.37Å; G264-N267 PolarHBondContact N-O 3.14Å; G264-P287 WeakPolarHBondContact O-CG 3.33Å
265E95.4Very high90.8Very high74 Ų7430.5 Ų30.535%0.34615%0.154SC..SBendtrans-62-24.9172.2-63.3174.8166.300113.3Q244 L246 P287Q244-E265 PolarHBondContact O-N 2.93Å; L246-E265 HydrophobicContact CD2-CG 4.43Å; E265-P287 WeakPolarHBondContact O-CD 3.49Å
266R95.5Very high92.3Very high107 Ų10729.2 Ų29.240%0.40415%0.148SC..SBendtrans-136-13.1-178-59.1171.8-73.4-77.3-1.7114.2E243 G264 L283E243-R266 WeakPolarHBondContact OE2-CA 3.46Å; E243-R266 VanDerWaalsContact OE2-CB 3.24Å; E243-R266 WeakPolarHBondContact OE2-CB 3.4Å; E243-R266 IonicContact OE2-CZ 3.41Å; E243-R266 PolarHBondContact OE2-N 3.46Å; E243-R266 IonicContact OE2-NE 3.47Å; E243-R266 IonicContact OE2-NH2 3.71Å; G264-R266 PolarHBondContact O-N 2.89Å; R266-L283 WeakPolarHBondContact O-CB 3.17Å; R266-L283 PolarHBondContact O-N 2.87Å
267N97Very high93.7Very high21 Ų2131.2 Ų31.211%0.11216%0.156CC..EExtended strand (participates in β ladder)trans-131.9154.8179.5-45.8-77.7000111.7E243 G264 F269 K281 K282E243-N267 WeakPolarHBondContact OE1-CA 3.44Å; E243-N267 WeakPolarHBondContact OE1-CB 3.49Å; E243-N267 PolarHBondContact OE1-N 2.88Å; E243-N267 PolarHBondContact OE1-ND2 3.35Å; E243-N267 PolarHBondContact OE2-ND2 3.1Å; G264-N267 VanDerWaalsContact CA-O 3.26Å; G264-N267 WeakPolarHBondContact CA-O 3.37Å; G264-N267 PolarHBondContact N-O 3.14Å; N267-F269 HydrophobicContact CB-CD2 4.32Å; N267-F269 HydrophobicContact CB-CE1 4.45Å; N267-F269 HydrophobicContact CB-CE2 3.56Å; N267-F269 HydrophobicContact CB-CZ 3.62Å; N267-K281 WeakPolarHBondContact CA-O 3.49Å; N267-K282 WeakPolarHBondContact OD1-CA 3.11Å; N267-K282 WeakPolarHBondContact OD1-CB 3.29Å; N267-K282 WeakPolarHBondContact OD1-CG 3.29Å
268F97.3Very high94.5Very high0 Ų033 Ų330%015%0.153CC..EExtended strand (participates in β ladder)trans-112.5126.3174.1171.9-119.5000109.1F261 L263 F279 M280 K281 L283 F290 T303 I305F261-F268 HydrophobicContact CB-CE2 4.31Å; F261-F268 HydrophobicContact CD1-CE1 4.28Å; F261-F268 AromaticContact CD1-CE2 3.67Å; F261-F268 HydrophobicContact CD1-CE2 3.67Å; F261-F268 AromaticContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CE1-CE1 4.39Å; F261-F268 HydrophobicContact CE1-CE2 4.49Å; F261-F268 AromaticContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CG-CE2 4.44Å; F261-F268 HydrophobicContact CG-CZ 4.41Å; L263-F268 HydrophobicContact CD1-CD2 4.35Å; F268-F279 HydrophobicContact CE1-CE2 4.18Å; F268-M280 CarbonylContact O-C 3.56Å; F268-M280 VanDerWaalsContact O-CA 3.27Å; F268-M280 WeakPolarHBondContact O-CA 3.12Å; F268-K281 HydrophobicContact CD1-CB 4.5Å; F268-K281 PolarHBondContact N-O 3.33Å; F268-K281 PolarHBondContact O-N 3.24Å; F268-L283 HydrophobicContact CB-CD1 4.26Å; F268-L283 HydrophobicContact CB-CD2 4.28Å; F268-L283 HydrophobicContact CB-CG 4.37Å; F268-F290 HydrophobicContact CD2-CD2 4.5Å; F268-F290 AromaticContact CE2-CD2 3.85Å; F268-F290 HydrophobicContact CE2-CD2 3.85Å; F268-F290 AromaticContact CE2-CE2 3.99Å; F268-F290 HydrophobicContact CE2-CE2 3.99Å; F268-T303 HydrophobicContact CE2-CG2 3.96Å; F268-T303 HydrophobicContact CZ-CG2 3.68Å; F268-I305 HydrophobicContact CB-CD1 4.25Å; F268-I305 HydrophobicContact CD1-CD1 4.11Å; F268-I305 HydrophobicContact CD2-CD1 4.04Å; F268-I305 HydrophobicContact CE1-CD1 4.43Å; F268-I305 HydrophobicContact CE2-CD1 4.38Å; F268-I305 HydrophobicContact CG-CD1 3.88Å
269F97.2Very high94.9Very high4 Ų434.8 Ų34.82%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-118.7143.8-177-56.8-92.6000111.3I241 F261 V262 N267 L271 I277 M280I241-F269 HydrophobicContact CB-CD2 4.45Å; I241-F269 HydrophobicContact CB-CE1 4.26Å; I241-F269 HydrophobicContact CB-CE2 3.88Å; I241-F269 HydrophobicContact CB-CZ 3.79Å; I241-F269 HydrophobicContact CD1-CE2 4.3Å; I241-F269 HydrophobicContact CG2-CD1 4.36Å; I241-F269 HydrophobicContact CG2-CD2 4.37Å; I241-F269 HydrophobicContact CG2-CE1 4.26Å; I241-F269 HydrophobicContact CG2-CE2 4.26Å; I241-F269 HydrophobicContact CG2-CG 4.41Å; I241-F269 HydrophobicContact CG2-CZ 4.22Å; I241-F269 WeakPolarHBondContact O-CZ 3.49Å; F261-F269 CarbonylContact C-O 3.6Å; F261-F269 VanDerWaalsContact CA-O 3.31Å; F261-F269 WeakPolarHBondContact CA-O 3.49Å; V262-F269 HydrophobicContact CB-CB 4.22Å; V262-F269 HydrophobicContact CB-CD2 4.5Å; V262-F269 PolarHBondContact N-O 3.38Å; V262-F269 PolarHBondContact O-N 3.36Å; N267-F269 HydrophobicContact CB-CD2 4.32Å; N267-F269 HydrophobicContact CB-CE1 4.45Å; N267-F269 HydrophobicContact CB-CE2 3.56Å; N267-F269 HydrophobicContact CB-CZ 3.62Å; F269-L271 HydrophobicContact CB-CD2 4.06Å; F269-I277 HydrophobicContact CD1-CD1 4.22Å; F269-I277 HydrophobicContact CE1-CD1 4.37Å; F269-M280 HydrophobicContact CD1-CB 3.66Å; F269-M280 HydrophobicContact CD1-CE 4.35Å; F269-M280 HydrophobicContact CD1-SD 4.43Å; F269-M280 HydrophobicContact CE1-CB 4.06Å; F269-M280 HydrophobicContact CE1-CE 3.57Å; F269-M280 HydrophobicContact CE1-SD 3.99Å; F269-M280 HydrophobicContact CG-CB 4.46Å; F269-M280 HydrophobicContact CZ-CE 4.12Å
270C95.4Very high95.1Very high0 Ų039 Ų390%018%0.182CC..EExtended strand (participates in β ladder)trans-121.8120.2163.7-179.90000108.2V260 F261 R278 F279V260-C270 CarbonylContact O-C 3.56Å; V260-C270 WeakPolarHBondContact O-CA 3.4Å; F261-C270 HydrophobicContact CD1-CB 3.88Å; F261-C270 HydrophobicContact CE1-CB 3.68Å; F261-C270 HydrophobicContact CZ-CB 4.29Å; C270-R278 WeakPolarHBondContact O-CA 3.41Å; C270-R278 WeakPolarHBondContact O-CB 3.48Å; C270-R278 PolarHBondContact O-N 2.68Å; C270-F279 HydrophobicContact CB-CD1 3.98Å; C270-F279 HydrophobicContact CB-CD2 3.55Å; C270-F279 HydrophobicContact CB-CE1 3.66Å; C270-F279 HydrophobicContact CB-CE2 3.21Å; C270-F279 HydrophobicContact CB-CG 3.93Å; C270-F279 HydrophobicContact CB-CZ 3.27Å; C270-F279 PolarHBondContact N-O 3.48Å; C270-F279 PolarHBondContact O-N 3.25Å
271L95.4Very high95.2Very high0 Ų041.2 Ų41.20%019%0.191CC..EExtended strand (participates in β ladder)trans-107.9149.3-177.3-41.9-180000110.4V202 W237 L239 V260 V262 F269 Q276 I277V202-L271 HydrophobicContact CB-CD1 4.32Å; V202-L271 HydrophobicContact CG1-CD1 3.97Å; V202-L271 HydrophobicContact CG2-CD1 4.24Å; W237-L271 HydrophobicContact CH2-CD1 4.22Å; W237-L271 HydrophobicContact CZ3-CD1 4.49Å; L239-L271 HydrophobicContact CD2-CD1 3.77Å; L239-L271 HydrophobicContact CD2-CD2 3.37Å; L239-L271 HydrophobicContact CD2-CG 4.2Å; V260-L271 HydrophobicContact CB-CB 4.18Å; V260-L271 PolarHBondContact N-O 2.97Å; V260-L271 VanDerWaalsContact N-O 3.08Å; V260-L271 PolarHBondContact O-N 2.91Å; V262-L271 HydrophobicContact CG2-CD1 4.06Å; V262-L271 HydrophobicContact CG2-CG 4.45Å; F269-L271 HydrophobicContact CB-CD2 4.06Å; L271-Q276 WeakPolarHBondContact CA-O 3.48Å; L271-I277 HydrophobicContact CD2-CB 4.33Å; L271-I277 HydrophobicContact CD2-CG1 3.79Å
272K93.4Very high95.2Very high85 Ų8547.1 Ų47.137%0.3722%0.217SC..  trans-78.2162.4168-61.6178.5-173.9173.50109.7N274 G275 Q276 R278K272-N274 VanDerWaalsContact CB-OD1 3.25Å; K272-N274 WeakPolarHBondContact CB-OD1 3.33Å; K272-N274 PolarHBondContact O-N 2.93Å; K272-G275 PolarHBondContact O-N 3.16Å; K272-Q276 PolarHBondContact N-O 3.12Å; K272-R278 HydrophobicContact CG-CB 3.94Å; K272-R278 HydrophobicContact CG-CG 4.46Å
273D90.3Very high95.2Very high41 Ų4147.4 Ų47.422%0.21922%0.218CC..THydrogen-bonded Turntrans-56.1-21.5176.8-61.6-28.7000113.9R189 T190 W237R189-D273 WeakPolarHBondContact CD-OD2 2.84Å; R189-D273 IonicContact CZ-OD2 3.7Å; R189-D273 IonicContact NE-OD2 3.07Å; R189-D273 IonicContact NH1-OD2 2.83Å; R189-D273 PolarHBondContact NH1-OD2 3.31Å; T190-D273 HydrophobicContact CG2-CB 3.85Å; W237-D273 PolarHBondContact NE1-O 3.5Å
274N91.5Very high95Very high90 Ų9054.2 Ų54.248%0.48125%0.254SS..THydrogen-bonded Turntrans-91.98.4178.272.7-11.2000114.4K272 Q276K272-N274 VanDerWaalsContact CB-OD1 3.25Å; K272-N274 WeakPolarHBondContact CB-OD1 3.33Å; K272-N274 PolarHBondContact O-N 2.93Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact ND2-OE1 2.9Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.45Å; N274-Q276 PolarHBondContact OD1-N 3.12Å
275G91.7Very high94.8Very high7 Ų756.2 Ų56.27%0.07226%0.262CS..SBendtrans83.4-3.6178.700000115.8W237 K272W237-G275 VanDerWaalsContact CD2-CA 3.48Å; W237-G275 VanDerWaalsContact CE3-CA 3.43Å; K272-G275 PolarHBondContact O-N 3.16Å
276Q94.3Very high94.9Very high112 Ų11256.2 Ų56.252%0.52327%0.27SS..  trans-81.2144175.7-65.3179.2-21.600111.4L271 K272 N274 R278L271-Q276 WeakPolarHBondContact CA-O 3.48Å; K272-Q276 PolarHBondContact N-O 3.12Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact ND2-OE1 2.9Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.45Å; N274-Q276 PolarHBondContact OD1-N 3.12Å; Q276-R278 PolarHBondContact O-N 2.94Å
277I95.7Very high94.9Very high63 Ų6351.2 Ų51.232%0.32325%0.251SS..EExtended strand (participates in β ladder)trans-62123173.5-59.7173.9000109.3L239 F269 L271 F279 M280L239-I277 HydrophobicContact CD1-CG1 4.33Å; L239-I277 HydrophobicContact CD2-CD1 4.34Å; L239-I277 HydrophobicContact CD2-CG1 3.71Å; F269-I277 HydrophobicContact CD1-CD1 4.22Å; F269-I277 HydrophobicContact CE1-CD1 4.37Å; L271-I277 HydrophobicContact CD2-CB 4.33Å; L271-I277 HydrophobicContact CD2-CG1 3.79Å; I277-F279 VanDerWaalsContact CG2-C 3.48Å; I277-F279 WeakPolarHBondContact CG2-O 3.38Å; I277-M280 HydrophobicContact CD1-SD 4.27Å; I277-M280 HydrophobicContact CG2-CB 4.07Å; I277-M280 HydrophobicContact CG2-CG 4.35Å
278R93.2Very high94.9Very high85 Ų8551 Ų5132%0.32125%0.252SS..EExtended strand (participates in β ladder)trans-78.8-49.8168.7-173.5178.6-67177.610.7110.1S258 S259 C270 K272 Q276S258-R278 PolarHBondContact O-NH2 3.07Å; S259-R278 PolarHBondContact OG-NH1 3.36Å; S259-R278 PolarHBondContact OG-NH2 2.86Å; C270-R278 WeakPolarHBondContact O-CA 3.41Å; C270-R278 WeakPolarHBondContact O-CB 3.48Å; C270-R278 PolarHBondContact O-N 2.68Å; K272-R278 HydrophobicContact CG-CB 3.94Å; K272-R278 HydrophobicContact CG-CG 4.46Å; Q276-R278 PolarHBondContact O-N 2.94Å
279F94.4Very high94.9Very high38 Ų3851.2 Ų51.217%0.16725%0.253CS..EExtended strand (participates in β ladder)trans-155.2160.4169.855.7-104000109.3F261 F268 C270 I277 D317 V318F261-F279 HydrophobicContact CE1-CE2 4.16Å; F261-F279 AromaticContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CZ-CZ 4.3Å; F268-F279 HydrophobicContact CE1-CE2 4.18Å; C270-F279 HydrophobicContact CB-CD1 3.98Å; C270-F279 HydrophobicContact CB-CD2 3.55Å; C270-F279 HydrophobicContact CB-CE1 3.66Å; C270-F279 HydrophobicContact CB-CE2 3.21Å; C270-F279 HydrophobicContact CB-CG 3.93Å; C270-F279 HydrophobicContact CB-CZ 3.27Å; C270-F279 PolarHBondContact N-O 3.48Å; C270-F279 PolarHBondContact O-N 3.25Å; I277-F279 VanDerWaalsContact CG2-C 3.48Å; I277-F279 WeakPolarHBondContact CG2-O 3.38Å; F279-D317 HydrophobicContact CD1-CB 4.39Å; F279-D317 HydrophobicContact CE1-CB 3.87Å; F279-D317 HydrophobicContact CE2-CB 4.23Å; F279-D317 HydrophobicContact CZ-CB 3.77Å; F279-V318 HydrophobicContact CB-CG1 4.19Å; F279-V318 HydrophobicContact CD2-CG1 3.48Å; F279-V318 VanDerWaalsContact CD2-CG1 3.48Å; F279-V318 HydrophobicContact CE2-CG1 4.12Å; F279-V318 HydrophobicContact CG-CG1 4.08Å
280M96.1Very high94.9Very high90 Ų9051.1 Ų51.144%0.44325%0.253SS..EExtended strand (participates in β ladder)trans-142153.5172.564.7175.7-68.800109.9F268 F269 I277F268-M280 CarbonylContact O-C 3.56Å; F268-M280 VanDerWaalsContact O-CA 3.27Å; F268-M280 WeakPolarHBondContact O-CA 3.12Å; F269-M280 HydrophobicContact CD1-CB 3.66Å; F269-M280 HydrophobicContact CD1-CE 4.35Å; F269-M280 HydrophobicContact CD1-SD 4.43Å; F269-M280 HydrophobicContact CE1-CB 4.06Å; F269-M280 HydrophobicContact CE1-CE 3.57Å; F269-M280 HydrophobicContact CE1-SD 3.99Å; F269-M280 HydrophobicContact CG-CB 4.46Å; F269-M280 HydrophobicContact CZ-CE 4.12Å; I277-M280 HydrophobicContact CD1-SD 4.27Å; I277-M280 HydrophobicContact CG2-CB 4.07Å; I277-M280 HydrophobicContact CG2-CG 4.35Å
281K96.9Very high94.9Very high48 Ų4852.4 Ų52.421%0.20926%0.259CS..EExtended strand (participates in β ladder)trans-129.4122.6172.9176.1171.1170.448.90109.2N267 F268 L283 Y315 V318N267-K281 WeakPolarHBondContact CA-O 3.49Å; F268-K281 HydrophobicContact CD1-CB 4.5Å; F268-K281 PolarHBondContact N-O 3.33Å; F268-K281 PolarHBondContact O-N 3.24Å; K281-L283 HydrophobicContact CD-CD2 4.1Å; K281-L283 HydrophobicContact CG-CD2 4.04Å; K281-Y315 HydrophobicContact CD-CD1 4.2Å; K281-Y315 HydrophobicContact CD-CE1 3.66Å; K281-Y315 WeakPolarHBondContact CE-OH 3.35Å; K281-V318 HydrophobicContact CB-CB 4.34Å; K281-V318 HydrophobicContact CB-CG1 4.02Å
282K96.9Very high94.9Very high125 Ų12552.7 Ų52.754%0.54326%0.261SS..EExtended strand (participates in β ladder)trans-70.4127163.8-178.3172175.561.90109N267N267-K282 WeakPolarHBondContact OD1-CA 3.11Å; N267-K282 WeakPolarHBondContact OD1-CB 3.29Å; N267-K282 WeakPolarHBondContact OD1-CG 3.29Å
283L95.8Very high94.7Very high6 Ų651.3 Ų51.33%0.03125%0.254CS..  trans-94.5132.9176.8-52.7175.3000107.9L263 R266 F268 K281 W285 P287L263-L283 HydrophobicContact CD1-CD1 4.33Å; R266-L283 WeakPolarHBondContact O-CB 3.17Å; R266-L283 PolarHBondContact O-N 2.87Å; F268-L283 HydrophobicContact CB-CD1 4.26Å; F268-L283 HydrophobicContact CB-CD2 4.28Å; F268-L283 HydrophobicContact CB-CG 4.37Å; K281-L283 HydrophobicContact CD-CD2 4.1Å; K281-L283 HydrophobicContact CG-CD2 4.04Å; L283-W285 HydrophobicContact CB-CD2 4.27Å; L283-W285 HydrophobicContact CB-CE3 4.42Å; L283-W285 WeakPolarHBondContact CB-O 3.07Å; L283-W285 HydrophobicContact CD1-CE3 4.35Å; L283-W285 HydrophobicContact CD1-CH2 3.92Å; L283-W285 HydrophobicContact CD1-CZ2 4.48Å; L283-W285 HydrophobicContact CD1-CZ3 3.87Å; L283-W285 HydrophobicContact CD2-CH2 3.91Å; L283-W285 HydrophobicContact CD2-CZ2 3.74Å; L283-W285 HydrophobicContact CG-CH2 4.39Å; L283-W285 HydrophobicContact CG-CZ2 4.48Å; L283-W285 PolarHBondContact O-N 3.4Å; L283-P287 HydrophobicContact CD1-CB 3.91Å; L283-P287 HydrophobicContact CD1-CG 3.79Å
284D94Very high94.2Very high142 Ų14253.1 Ų53.176%0.75927%0.269SS*.SBendtrans-88.714176.8-58.5-49.7000111.8
285W94Very high93.6Very high43 Ų4349.6 Ų49.616%0.16325%0.251CS..SBendtrans-147.7156.8-177.142.5-98.7000109.1L283 P287 I305 N307 H313 Y315L283-W285 HydrophobicContact CB-CD2 4.27Å; L283-W285 HydrophobicContact CB-CE3 4.42Å; L283-W285 WeakPolarHBondContact CB-O 3.07Å; L283-W285 HydrophobicContact CD1-CE3 4.35Å; L283-W285 HydrophobicContact CD1-CH2 3.92Å; L283-W285 HydrophobicContact CD1-CZ2 4.48Å; L283-W285 HydrophobicContact CD1-CZ3 3.87Å; L283-W285 HydrophobicContact CD2-CH2 3.91Å; L283-W285 HydrophobicContact CD2-CZ2 3.74Å; L283-W285 HydrophobicContact CG-CH2 4.39Å; L283-W285 HydrophobicContact CG-CZ2 4.48Å; L283-W285 PolarHBondContact O-N 3.4Å; W285-P287 HydrophobicContact CE3-CB 4.25Å; W285-P287 HydrophobicContact CZ3-CB 3.69Å; W285-P287 WeakPolarHBondContact O-CD 3.48Å; W285-I305 HydrophobicContact CH2-CB 3.79Å; W285-I305 HydrophobicContact CH2-CD1 4.42Å; W285-I305 HydrophobicContact CH2-CG2 3.42Å; W285-I305 VanDerWaalsContact CH2-CG2 3.42Å; W285-I305 HydrophobicContact CZ3-CB 4.4Å; W285-I305 HydrophobicContact CZ3-CG2 3.6Å; W285-N307 HydrophobicContact CD2-CB 4.14Å; W285-N307 HydrophobicContact CE3-CB 3.42Å; W285-N307 VanDerWaalsContact CE3-CB 3.42Å; W285-N307 HydrophobicContact CZ3-CB 3.77Å; W285-H313 AromaticContact CE2-CE1 3.8Å; W285-H313 AromaticContact CE2-ND1 3.87Å; W285-H313 AromaticContact CH2-ND1 3.85Å; W285-H313 HydrophobicContact CZ2-CB 4.28Å; W285-H313 AromaticContact CZ2-CE1 3.92Å; W285-H313 AromaticContact CZ2-CG 3.82Å; W285-H313 AromaticContact CZ2-ND1 3.51Å; W285-H313 AromaticContact NE1-CE1 3.9Å; W285-Y315 HydrophobicContact CZ2-CE2 4.07Å
286S96.2Very high92.9Very high73 Ų7356.2 Ų56.251%0.5129%0.29SS..  trans-80.1112.1179.5-53.50000110.3N307 H308S286-N307 WeakPolarHBondContact O-CA 3.38Å; S286-N307 WeakPolarHBondContact O-CB 3.44Å; S286-H308 PolarHBondContact O-CD2 2.66Å; S286-H308 PolarHBondContact O-N 2.98Å; S286-H308 VanDerWaalsContact O-N 3.14Å
287P97.2Very high92.2Very high2 Ų253.3 Ų53.31%0.01328%0.283CS..EExtended strand (participates in β ladder)trans-69.6154.2173.133.8-35.3000110.4L246 L263 G264 E265 L283 W285 I305 G306L246-P287 HydrophobicContact CD1-CG 4.13Å; L246-P287 VanDerWaalsContact CD1-O 3.24Å; L246-P287 WeakPolarHBondContact CD1-O 3.24Å; L263-P287 HydrophobicContact CD1-CB 3.67Å; L263-P287 HydrophobicContact CD1-CG 3.93Å; L263-P287 HydrophobicContact CD2-CB 4.01Å; L263-P287 HydrophobicContact CD2-CG 4.43Å; L263-P287 HydrophobicContact CG-CB 4.03Å; L263-P287 HydrophobicContact CG-CG 4.07Å; G264-P287 WeakPolarHBondContact O-CG 3.33Å; E265-P287 WeakPolarHBondContact O-CD 3.49Å; L283-P287 HydrophobicContact CD1-CB 3.91Å; L283-P287 HydrophobicContact CD1-CG 3.79Å; W285-P287 HydrophobicContact CE3-CB 4.25Å; W285-P287 HydrophobicContact CZ3-CB 3.69Å; W285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-I305 HydrophobicContact CB-CG2 3.91Å; P287-G306 WeakPolarHBondContact CA-O 3.47Å
288S96.6Very high91.3Very high17 Ų1758.6 Ų58.612%0.11931%0.306CS..EExtended strand (participates in β ladder)trans-119.3-41.8177.864.90000112.1G306 P330S288-G306 PolarHBondContact N-O 3.35Å; S288-G306 PolarHBondContact OG-O 3.48Å; S288-P330 WeakPolarHBondContact CB-O 3.18Å; S288-P330 PolarHBondContact OG-O 2.78Å
289C96.7Very high90.6Very high4 Ų457 Ų573%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-148.9163.4174.8600000110.7I305 G306 V331C289-I305 WeakPolarHBondContact O-CA 3.31Å; C289-G306 PolarHBondContact O-N 2.76Å; C289-V331 WeakPolarHBondContact CB-O 3.18Å
290F97.3Very high90.2Very high2 Ų256.2 Ų56.21%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-147.9161172.284.3-58.1000113.2D247 C249 F261 L263 F268 P292 T303 L304 I305D247-F290 HydrophobicContact CB-CD1 3.88Å; D247-F290 HydrophobicContact CB-CE1 3.6Å; D247-F290 WeakPolarHBondContact OD2-CE1 3.06Å; C249-F290 HydrophobicContact CB-CE1 4.27Å; C249-F290 HydrophobicContact CB-CE2 4.08Å; C249-F290 HydrophobicContact CB-CZ 3.59Å; F261-F290 HydrophobicContact CB-CE2 3.53Å; F261-F290 HydrophobicContact CB-CZ 3.97Å; F261-F290 HydrophobicContact CG-CE2 4.48Å; L263-F290 HydrophobicContact CB-CD1 3.44Å; L263-F290 VanDerWaalsContact CB-CD1 3.44Å; L263-F290 HydrophobicContact CB-CE1 3.63Å; L263-F290 HydrophobicContact CB-CG 3.93Å; L263-F290 HydrophobicContact CB-CZ 4.29Å; L263-F290 HydrophobicContact CD1-CB 4.22Å; L263-F290 HydrophobicContact CD1-CG 4.35Å; L263-F290 HydrophobicContact CD2-CB 3.9Å; L263-F290 HydrophobicContact CD2-CD1 3.67Å; L263-F290 HydrophobicContact CD2-CG 4.04Å; L263-F290 HydrophobicContact CG-CB 4.47Å; L263-F290 HydrophobicContact CG-CD1 4.1Å; L263-F290 HydrophobicContact CG-CG 4.35Å; F268-F290 HydrophobicContact CD2-CD2 4.5Å; F268-F290 AromaticContact CE2-CD2 3.85Å; F268-F290 HydrophobicContact CE2-CD2 3.85Å; F268-F290 AromaticContact CE2-CE2 3.99Å; F268-F290 HydrophobicContact CE2-CE2 3.99Å; F290-P292 HydrophobicContact CE2-CG 4.35Å; F290-T303 HydrophobicContact CD2-CG2 3.79Å; F290-L304 CarbonylContact C-O 3.52Å; F290-L304 WeakPolarHBondContact CA-O 3Å; F290-L304 VanDerWaalsContact CB-O 3.32Å; F290-L304 WeakPolarHBondContact CB-O 3.47Å; F290-I305 HydrophobicContact CB-CB 4.39Å; F290-I305 HydrophobicContact CB-CG1 4.07Å; F290-I305 HydrophobicContact CB-CG2 4.24Å
291L95.8Very high89.9Confident27 Ų2752.1 Ų52.114%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-149.2113.4174-175.877.4000110.9T303 L304 V333 V335L291-T303 WeakPolarHBondContact O-CA 3.34Å; L291-L304 HydrophobicContact CD2-CD1 4.49Å; L291-L304 PolarHBondContact N-O 3.49Å; L291-L304 PolarHBondContact O-N 2.86Å; L291-V333 HydrophobicContact CB-CG1 3.91Å; L291-V335 HydrophobicContact CD2-CB 4.16Å; L291-V335 HydrophobicContact CD2-CG2 3.95Å
292P94.1Very high89.7Confident7 Ų750.9 Ų50.95%0.04529%0.29CS..EExtended strand (participates in β ladder)trans-72.1132.3165.229.3-32.1000110.6C249 V251 F261 F290 I301 N302C249-P292 HydrophobicContact CB-CG 3.83Å; C249-P292 WeakPolarHBondContact SG-CG 3.23Å; V251-P292 HydrophobicContact CG1-CB 3.89Å; V251-P292 HydrophobicContact CG1-CG 3.49Å; V251-P292 VanDerWaalsContact CG1-CG 3.49Å; V251-P292 HydrophobicContact CG2-CB 4.28Å; V251-P292 HydrophobicContact CG2-CG 4.45Å; F261-P292 HydrophobicContact CD2-CB 4.17Å; F261-P292 HydrophobicContact CD2-CG 4.28Å; F261-P292 HydrophobicContact CE2-CB 4.33Å; F290-P292 HydrophobicContact CE2-CG 4.35Å; P292-I301 HydrophobicContact CB-CG2 4.02Å; P292-N302 CarbonylContact C-O 3.52Å; P292-N302 WeakPolarHBondContact CA-O 3.27Å
293Y89.3Confident89.6Confident55 Ų5545 Ų4522%0.21626%0.264CS..EExtended strand (participates in β ladder)trans-133.6167.1179.670.4-77.2000110.8S295 N302 L304 I314Y293-S295 PolarHBondContact O-N 3.28Å; Y293-N302 HydrophobicContact CD1-CB 3.86Å; Y293-N302 HydrophobicContact CD2-CB 4.2Å; Y293-N302 HydrophobicContact CE1-CB 3.38Å; Y293-N302 HydrophobicContact CE2-CB 3.75Å; Y293-N302 HydrophobicContact CG-CB 4.26Å; Y293-N302 PolarHBondContact N-O 2.79Å; Y293-N302 PolarHBondContact O-N 2.86Å; Y293-N302 VanDerWaalsContact O-O 3.11Å; Y293-N302 PolarHBondContact OH-ND2 3.26Å; Y293-L304 HydrophobicContact CD1-CD1 3.22Å; Y293-L304 HydrophobicContact CD1-CG 4Å; Y293-L304 HydrophobicContact CE1-CD1 3.32Å; Y293-L304 HydrophobicContact CE1-CG 3.63Å; Y293-L304 HydrophobicContact CG-CD1 4.02Å; Y293-I314 HydrophobicContact CE1-CG2 4.4Å; Y293-I314 WeakPolarHBondContact OH-CG2 3.36Å
294C81Confident89.6Confident80 Ų8044.8 Ų44.854%0.54126%0.263SS..  trans-57.7127.8-176.5-72.70000111.4F253F253-C294 WeakPolarHBondContact CD1-SG 3.38Å; F253-C294 WeakPolarHBondContact CE1-SG 3.28Å
295S79.4Confident89.8Confident15 Ų1538 Ų3811%0.10523%0.227CC..  trans-84.2152.6169.1-164.80000110.6Y293 S297 T300 N302Y293-S295 PolarHBondContact O-N 3.28Å; S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact OG-N 3.4Å; S295-T300 VanDerWaalsContact CB-O 3.22Å; S295-T300 WeakPolarHBondContact CB-O 3.45Å; S295-T300 PolarHBondContact OG-OG1 3.46Å; S295-T300 VanDerWaalsContact OG-OG1 3.09Å; S295-N302 WeakPolarHBondContact CB-OD1 3.43Å; S295-N302 PolarHBondContact OG-OD1 3.33Å
296V75.9Confident89.9Confident147 Ų14736 Ų3689%0.89122%0.219SC*.SBendtrans-81.3-15.4168.6-68.40000112.6
297S79.8Confident89.8Confident51 Ų5132.6 Ų32.636%0.35720%0.196SC..SBendtrans-100.9129.7-176.7179.50000110.6S295 G299 T300 Q316S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact OG-N 3.4Å; S297-G299 PolarHBondContact O-N 3.03Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.48Å; S297-T300 PolarHBondContact O-OG1 3.34Å; S297-Q316 PolarHBondContact OG-NE2 2.99Å
298E76.2Confident89.8Confident173 Ų17337.2 Ų37.281%0.80822%0.217SC*.THydrogen-bonded Turntrans-54.2134.5-179.1-65.8-176.1176.700112T300E298-T300 PolarHBondContact O-N 3.13Å
299G79.4Confident89.7Confident53 Ų5342.2 Ų42.255%0.54624%0.242SC..THydrogen-bonded Turntrans76.2-7.5175.300000116.5S297S297-G299 PolarHBondContact O-N 3.03Å
300T86.5Confident89.5Confident21 Ų2144.6 Ų44.613%0.12926%0.255CS..  trans-105.7162.6179.265.90000111.7S295 S297 E298 Q316S295-T300 VanDerWaalsContact CB-O 3.22Å; S295-T300 WeakPolarHBondContact CB-O 3.45Å; S295-T300 PolarHBondContact OG-OG1 3.46Å; S295-T300 VanDerWaalsContact OG-OG1 3.09Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.48Å; S297-T300 PolarHBondContact O-OG1 3.34Å; E298-T300 PolarHBondContact O-N 3.13Å; T300-Q316 HydrophobicContact CG2-CG 4.33Å; T300-Q316 PolarHBondContact OG1-NE2 3.47Å
301I88.9Confident89.5Confident4 Ų447.3 Ų47.32%0.02127%0.268CS..  trans-126.7132.1176.5-62.2173.8000108.1V251 F253 F261 P292 D317V251-I301 HydrophobicContact CG2-CD1 3.84Å; V251-I301 HydrophobicContact CG2-CG2 4.43Å; F253-I301 HydrophobicContact CE2-CG2 4.13Å; F261-I301 HydrophobicContact CE2-CB 4.36Å; F261-I301 HydrophobicContact CE2-CD1 3.62Å; F261-I301 HydrophobicContact CE2-CG2 3.96Å; F261-I301 HydrophobicContact CZ-CB 3.84Å; F261-I301 HydrophobicContact CZ-CD1 3.74Å; F261-I301 HydrophobicContact CZ-CG1 4.35Å; F261-I301 HydrophobicContact CZ-CG2 3.72Å; P292-I301 HydrophobicContact CB-CG2 4.02Å; I301-D317 PolarHBondContact N-OD1 3.11Å; I301-D317 PolarHBondContact O-N 3.41Å
302N92.7Very high89.6Confident22 Ų2246 Ų4612%0.11826%0.262CS..EExtended strand (participates in β ladder)trans-85.7146.7172.1-72.96.1000109.2P292 Y293 S295 Y315P292-N302 CarbonylContact C-O 3.52Å; P292-N302 WeakPolarHBondContact CA-O 3.27Å; Y293-N302 HydrophobicContact CD1-CB 3.86Å; Y293-N302 HydrophobicContact CD2-CB 4.2Å; Y293-N302 HydrophobicContact CE1-CB 3.38Å; Y293-N302 HydrophobicContact CE2-CB 3.75Å; Y293-N302 HydrophobicContact CG-CB 4.26Å; Y293-N302 PolarHBondContact N-O 2.79Å; Y293-N302 PolarHBondContact O-N 2.86Å; Y293-N302 VanDerWaalsContact O-O 3.11Å; Y293-N302 PolarHBondContact OH-ND2 3.26Å; S295-N302 WeakPolarHBondContact CB-OD1 3.43Å; S295-N302 PolarHBondContact OG-OD1 3.33Å; N302-Y315 CarbonylContact C-O 3.48Å; N302-Y315 WeakPolarHBondContact CA-O 3.3Å
303T94.8Very high89.7Confident0 Ų046.2 Ų46.20%026%0.262CS..EExtended strand (participates in β ladder)trans-138.7129.9178.8-54.30000109.8F268 F290 L291 I305 I314 Y315F268-T303 HydrophobicContact CE2-CG2 3.96Å; F268-T303 HydrophobicContact CZ-CG2 3.68Å; F290-T303 HydrophobicContact CD2-CG2 3.79Å; L291-T303 WeakPolarHBondContact O-CA 3.34Å; T303-I305 HydrophobicContact CG2-CD1 4.45Å; T303-I305 HydrophobicContact CG2-CG1 3.9Å; T303-I314 CarbonylContact O-C 3.52Å; T303-I314 WeakPolarHBondContact O-CA 3.35Å; T303-Y315 PolarHBondContact N-O 2.87Å; T303-Y315 PolarHBondContact O-N 3.47Å
304L96Very high90Very high2 Ų244.1 Ų44.11%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-90133.3166.7-64118.3000108.6F290 L291 Y293 L312 H313 I314 V335 I345F290-L304 CarbonylContact C-O 3.52Å; F290-L304 WeakPolarHBondContact CA-O 3Å; F290-L304 VanDerWaalsContact CB-O 3.32Å; F290-L304 WeakPolarHBondContact CB-O 3.47Å; L291-L304 HydrophobicContact CD2-CD1 4.49Å; L291-L304 PolarHBondContact N-O 3.49Å; L291-L304 PolarHBondContact O-N 2.86Å; Y293-L304 HydrophobicContact CD1-CD1 3.22Å; Y293-L304 HydrophobicContact CD1-CG 4Å; Y293-L304 HydrophobicContact CE1-CD1 3.32Å; Y293-L304 HydrophobicContact CE1-CG 3.63Å; Y293-L304 HydrophobicContact CG-CD1 4.02Å; L304-L312 HydrophobicContact CB-CD1 4.15Å; L304-L312 HydrophobicContact CD2-CD1 4.35Å; L304-L312 HydrophobicContact CD2-CD2 3.53Å; L304-L312 HydrophobicContact CD2-CG 3.95Å; L304-H313 CarbonylContact C-O 3.59Å; L304-H313 WeakPolarHBondContact CA-O 3.38Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CD2-CG1 3.82Å; L304-I314 HydrophobicContact CG-CG1 4.18Å; L304-V335 HydrophobicContact CD1-CG2 3.45Å; L304-V335 VanDerWaalsContact CD1-CG2 3.45Å; L304-I345 HydrophobicContact CD2-CD1 3.93Å; L304-I345 HydrophobicContact CD2-CG1 4.36Å
305I97.5Very high90.7Very high0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-130.8116.7173.7-47.7179.2000108.4L263 F268 W285 P287 C289 F290 T303 H313 Y315L263-I305 HydrophobicContact CD1-CG2 3.89Å; F268-I305 HydrophobicContact CB-CD1 4.25Å; F268-I305 HydrophobicContact CD1-CD1 4.11Å; F268-I305 HydrophobicContact CD2-CD1 4.04Å; F268-I305 HydrophobicContact CE1-CD1 4.43Å; F268-I305 HydrophobicContact CE2-CD1 4.38Å; F268-I305 HydrophobicContact CG-CD1 3.88Å; W285-I305 HydrophobicContact CH2-CB 3.79Å; W285-I305 HydrophobicContact CH2-CD1 4.42Å; W285-I305 HydrophobicContact CH2-CG2 3.42Å; W285-I305 VanDerWaalsContact CH2-CG2 3.42Å; W285-I305 HydrophobicContact CZ3-CB 4.4Å; W285-I305 HydrophobicContact CZ3-CG2 3.6Å; P287-I305 HydrophobicContact CB-CG2 3.91Å; C289-I305 WeakPolarHBondContact O-CA 3.31Å; F290-I305 HydrophobicContact CB-CB 4.39Å; F290-I305 HydrophobicContact CB-CG1 4.07Å; F290-I305 HydrophobicContact CB-CG2 4.24Å; T303-I305 HydrophobicContact CG2-CD1 4.45Å; T303-I305 HydrophobicContact CG2-CG1 3.9Å; I305-H313 PolarHBondContact N-O 2.84Å; I305-H313 PolarHBondContact O-N 3.27Å; I305-Y315 HydrophobicContact CD1-CD2 3.82Å; I305-Y315 HydrophobicContact CD1-CE2 4.14Å; I305-Y315 HydrophobicContact CG1-CD2 4.26Å
306G96.8Very high91.3Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-81.5152.8171.300000110.8P287 S288 C289 M311P287-G306 WeakPolarHBondContact CA-O 3.47Å; S288-G306 PolarHBondContact N-O 3.35Å; S288-G306 PolarHBondContact OG-O 3.48Å; C289-G306 PolarHBondContact O-N 2.76Å; G306-M311 WeakPolarHBondContact CA-O 3.25Å
307N95Very high92Very high2 Ų236.7 Ų36.71%0.01120%0.201CC..EExtended strand (participates in β ladder)trans-132.5166.7176.974.57.4000112.3W285 S286 N309 N310 M311 H313W285-N307 HydrophobicContact CD2-CB 4.14Å; W285-N307 HydrophobicContact CE3-CB 3.42Å; W285-N307 VanDerWaalsContact CE3-CB 3.42Å; W285-N307 HydrophobicContact CZ3-CB 3.77Å; S286-N307 WeakPolarHBondContact O-CA 3.38Å; S286-N307 WeakPolarHBondContact O-CB 3.44Å; N307-N309 PolarHBondContact O-N 3.48Å; N307-N309 VanDerWaalsContact O-N 3.13Å; N307-N309 VanDerWaalsContact OD1-C 3.32Å; N307-N309 WeakPolarHBondContact OD1-CA 3.45Å; N307-N309 PolarHBondContact OD1-N 3.1Å; N307-N310 PolarHBondContact O-N 2.97Å; N307-N310 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact N-O 2.79Å; N307-M311 WeakPolarHBondContact OD1-CA 3.45Å; N307-M311 WeakPolarHBondContact OD1-CB 3.49Å; N307-M311 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact OD1-O 2.79Å; N307-H313 PolarHBondContact ND2-CE1 3.37Å
308H95.9Very high92.6Very high100 Ų10037 Ų3746%0.46320%0.201SC..THydrogen-bonded Turntrans-71.11.6176.2-72.1-88.8000114.7S286 I329S286-H308 PolarHBondContact O-CD2 2.66Å; S286-H308 PolarHBondContact O-N 2.98Å; S286-H308 VanDerWaalsContact O-N 3.14Å; H308-I329 WeakPolarHBondContact O-CD1 3.45Å
309N94.3Very high93.5Very high121 Ų12132.6 Ų32.665%0.64719%0.186SC*.THydrogen-bonded Turntrans-103.923.1174.2-69.3-7.6000111.7N307 M311N307-N309 PolarHBondContact O-N 3.48Å; N307-N309 VanDerWaalsContact O-N 3.13Å; N307-N309 VanDerWaalsContact OD1-C 3.32Å; N307-N309 WeakPolarHBondContact OD1-CA 3.45Å; N307-N309 PolarHBondContact OD1-N 3.1Å; N309-M311 VanDerWaalsContact C-N 3.28Å; N309-M311 PolarHBondContact O-N 2.93Å
310N93.9Very high94.3Very high54 Ų5434.1 Ų34.129%0.28918%0.181SC..SBendtrans55.241.7179.4-47.719.8000111.8N307 L326 H328 I329N307-N310 PolarHBondContact O-N 2.97Å; N307-N310 PolarHBondContact OD1-N 3.43Å; N310-L326 WeakPolarHBondContact CB-O 3.18Å; N310-L326 WeakPolarHBondContact O-CA 3.35Å; N310-L326 WeakPolarHBondContact O-CB 3.48Å; N310-L326 PolarHBondContact O-N 3.44Å; N310-H328 WeakPolarHBondContact CA-O 3.39Å; N310-H328 WeakPolarHBondContact CB-O 3.27Å; N310-I329 WeakPolarHBondContact OD1-CG1 3.33Å
311M96.5Very high94.7Very high59 Ų5938.4 Ų38.429%0.29120%0.198SC..EExtended strand (participates in β ladder)trans-126.9143.9175.1-65.9-149.2-6200112G306 N307 N309 T324 Q325G306-M311 WeakPolarHBondContact CA-O 3.25Å; N307-M311 PolarHBondContact N-O 2.79Å; N307-M311 WeakPolarHBondContact OD1-CA 3.45Å; N307-M311 WeakPolarHBondContact OD1-CB 3.49Å; N307-M311 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact OD1-O 2.79Å; N309-M311 VanDerWaalsContact C-N 3.28Å; N309-M311 PolarHBondContact O-N 2.93Å; M311-T324 WeakPolarHBondContact CA-O 3.35Å; M311-Q325 HydrophobicContact CG-CG 4.46Å; M311-Q325 HydrophobicContact SD-CG 4.32Å
312L97Very high95Very high1 Ų141.5 Ų41.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-111.1121.6174.6-166.167.5000109.6L304 A323 T324 L326 V333 I345L304-L312 HydrophobicContact CB-CD1 4.15Å; L304-L312 HydrophobicContact CD2-CD1 4.35Å; L304-L312 HydrophobicContact CD2-CD2 3.53Å; L304-L312 HydrophobicContact CD2-CG 3.95Å; L312-A323 WeakPolarHBondContact O-CA 3.33Å; L312-T324 HydrophobicContact CB-CG2 3.78Å; L312-T324 HydrophobicContact CD2-CG2 4.36Å; L312-T324 PolarHBondContact N-O 2.88Å; L312-T324 PolarHBondContact O-N 2.77Å; L312-L326 HydrophobicContact CB-CD1 3.8Å; L312-L326 HydrophobicContact CB-CD2 4.21Å; L312-L326 HydrophobicContact CB-CG 3.97Å; L312-L326 HydrophobicContact CD1-CD1 4.47Å; L312-L326 HydrophobicContact CD2-CD2 4.41Å; L312-V333 HydrophobicContact CD1-CG2 4.41Å; L312-I345 HydrophobicContact CD2-CD1 3.93Å; L312-I345 HydrophobicContact CD2-CG2 3.74Å
313H96.7Very high95.1Very high11 Ų1141.6 Ų41.65%0.05121%0.213CC..EExtended strand (participates in β ladder)trans-104129.2178.2-63.287.7000110.1W285 L304 I305 N307 Y315 L320W285-H313 AromaticContact CE2-CE1 3.8Å; W285-H313 AromaticContact CE2-ND1 3.87Å; W285-H313 AromaticContact CH2-ND1 3.85Å; W285-H313 HydrophobicContact CZ2-CB 4.28Å; W285-H313 AromaticContact CZ2-CE1 3.92Å; W285-H313 AromaticContact CZ2-CG 3.82Å; W285-H313 AromaticContact CZ2-ND1 3.51Å; W285-H313 AromaticContact NE1-CE1 3.9Å; L304-H313 CarbonylContact C-O 3.59Å; L304-H313 WeakPolarHBondContact CA-O 3.38Å; I305-H313 PolarHBondContact N-O 2.84Å; I305-H313 PolarHBondContact O-N 3.27Å; N307-H313 PolarHBondContact ND2-CE1 3.37Å; H313-Y315 HydrophobicContact CB-CD2 4.04Å; H313-Y315 HydrophobicContact CB-CE2 3.5Å; H313-Y315 VanDerWaalsContact CB-CE2 3.5Å; H313-L320 HydrophobicContact CB-CD1 3.78Å
314I96Very high95.2Very high11 Ų1141.7 Ų41.76%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-102.7110.8173.6-63.9169.4000108Y293 T303 L304 K321 W322 L359Y293-I314 HydrophobicContact CE1-CG2 4.4Å; Y293-I314 WeakPolarHBondContact OH-CG2 3.36Å; T303-I314 CarbonylContact O-C 3.52Å; T303-I314 WeakPolarHBondContact O-CA 3.35Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CD2-CG1 3.82Å; L304-I314 HydrophobicContact CG-CG1 4.18Å; I314-K321 HydrophobicContact CG2-CB 4.42Å; I314-K321 PolarHBondContact O-N 2.78Å; I314-W322 HydrophobicContact CB-CB 4.01Å; I314-W322 HydrophobicContact CD1-CB 4.04Å; I314-W322 HydrophobicContact CG1-CB 4.42Å; I314-W322 PolarHBondContact N-O 3.41Å; I314-W322 PolarHBondContact O-N 2.84Å; I314-L359 HydrophobicContact CD1-CD1 3.5Å; I314-L359 HydrophobicContact CD1-CD2 4.14Å; I314-L359 HydrophobicContact CD1-CG 4.43Å
315Y95.1Very high95.2Very high8 Ų846.5 Ų46.53%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-99.2144.2174.4-73.8-79.6000110.9K281 W285 N302 T303 I305 H313 V318 T319 L320K281-Y315 HydrophobicContact CD-CD1 4.2Å; K281-Y315 HydrophobicContact CD-CE1 3.66Å; K281-Y315 WeakPolarHBondContact CE-OH 3.35Å; W285-Y315 HydrophobicContact CZ2-CE2 4.07Å; N302-Y315 CarbonylContact C-O 3.48Å; N302-Y315 WeakPolarHBondContact CA-O 3.3Å; T303-Y315 PolarHBondContact N-O 2.87Å; T303-Y315 PolarHBondContact O-N 3.47Å; I305-Y315 HydrophobicContact CD1-CD2 3.82Å; I305-Y315 HydrophobicContact CD1-CE2 4.14Å; I305-Y315 HydrophobicContact CG1-CD2 4.26Å; H313-Y315 HydrophobicContact CB-CD2 4.04Å; H313-Y315 HydrophobicContact CB-CE2 3.5Å; H313-Y315 VanDerWaalsContact CB-CE2 3.5Å; Y315-V318 WeakPolarHBondContact CD1-O 3.45Å; Y315-T319 CarbonylContact C-O 3.58Å; Y315-T319 WeakPolarHBondContact CA-O 3.36Å; Y315-T319 VanDerWaalsContact CD1-C 3.47Å; Y315-L320 HydrophobicContact CD1-CB 4.11Å; Y315-L320 HydrophobicContact CD1-CD1 4.37Å; Y315-L320 HydrophobicContact CE1-CB 3.6Å; Y315-L320 HydrophobicContact CE1-CD1 3.91Å; Y315-L320 HydrophobicContact CE1-CG 4.35Å; Y315-L320 HydrophobicContact CE2-CD1 4.09Å
316Q92.8Very high95.1Very high33 Ų3347.1 Ų47.115%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-107.5110.3157.6-175-17719.700106.3S297 T300 V318 T319 K321S297-Q316 PolarHBondContact OG-NE2 2.99Å; T300-Q316 HydrophobicContact CG2-CG 4.33Å; T300-Q316 PolarHBondContact OG1-NE2 3.47Å; Q316-V318 PolarHBondContact O-N 2.89Å; Q316-T319 PolarHBondContact N-O 2.73Å; Q316-T319 PolarHBondContact O-N 2.8Å; Q316-K321 HydrophobicContact CB-CD 4.35Å; Q316-K321 HydrophobicContact CB-CG 3.73Å
317D90Very high94.9Very high44 Ų4451 Ų5124%0.23527%0.265CS..THydrogen-bonded Turntrans52.4-99.4-163.3-55.8-27.6000111.8F279 I301F279-D317 HydrophobicContact CD1-CB 4.39Å; F279-D317 HydrophobicContact CE1-CB 3.87Å; F279-D317 HydrophobicContact CE2-CB 4.23Å; F279-D317 HydrophobicContact CZ-CB 3.77Å; I301-D317 PolarHBondContact N-OD1 3.11Å; I301-D317 PolarHBondContact O-N 3.41Å
318V93.3Very high94.9Very high58 Ų5851.4 Ų51.435%0.35227%0.267SS..THydrogen-bonded Turntrans-112.4-4.7176.5-60.90000113.6F279 K281 Y315 Q316F279-V318 HydrophobicContact CB-CG1 4.19Å; F279-V318 HydrophobicContact CD2-CG1 3.48Å; F279-V318 VanDerWaalsContact CD2-CG1 3.48Å; F279-V318 HydrophobicContact CE2-CG1 4.12Å; F279-V318 HydrophobicContact CG-CG1 4.08Å; K281-V318 HydrophobicContact CB-CB 4.34Å; K281-V318 HydrophobicContact CB-CG1 4.02Å; Y315-V318 WeakPolarHBondContact CD1-O 3.45Å; Q316-V318 PolarHBondContact O-N 2.89Å
319T94.6Very high94.9Very high81 Ų8149.1 Ų49.150%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-88.5120.8-176.9-56.60000110.3Y315 Q316 K321Y315-T319 CarbonylContact C-O 3.58Å; Y315-T319 WeakPolarHBondContact CA-O 3.36Å; Y315-T319 VanDerWaalsContact CD1-C 3.47Å; Q316-T319 PolarHBondContact N-O 2.73Å; Q316-T319 PolarHBondContact O-N 2.8Å; T319-K321 HydrophobicContact CG2-CD 4.48Å; T319-K321 PolarHBondContact O-N 2.99Å
320L95.6Very high95Very high84 Ų8443.3 Ų43.344%0.4423%0.226SC..EExtended strand (participates in β ladder)trans-67.6119175.7-175.565.3000109.7H313 Y315 W322 A323H313-L320 HydrophobicContact CB-CD1 3.78Å; Y315-L320 HydrophobicContact CD1-CB 4.11Å; Y315-L320 HydrophobicContact CD1-CD1 4.37Å; Y315-L320 HydrophobicContact CE1-CB 3.6Å; Y315-L320 HydrophobicContact CE1-CD1 3.91Å; Y315-L320 HydrophobicContact CE1-CG 4.35Å; Y315-L320 HydrophobicContact CE2-CD1 4.09Å; L320-W322 VanDerWaalsContact CD1-O 3.25Å; L320-W322 WeakPolarHBondContact CD1-O 3.36Å; L320-A323 HydrophobicContact CD2-CB 4.43Å
321K94.6Very high95.2Very high111 Ų11141.9 Ų41.948%0.48322%0.219SC..EExtended strand (participates in β ladder)trans-98.9-34177.7-66.3-57.6-171.3169.60113.1I314 Q316 T319I314-K321 HydrophobicContact CG2-CB 4.42Å; I314-K321 PolarHBondContact O-N 2.78Å; Q316-K321 HydrophobicContact CB-CD 4.35Å; Q316-K321 HydrophobicContact CB-CG 3.73Å; T319-K321 HydrophobicContact CG2-CD 4.48Å; T319-K321 PolarHBondContact O-N 2.99Å
322W95.4Very high95.2Very high69 Ų6939.1 Ų39.126%0.26121%0.206SC..EExtended strand (participates in β ladder)trans-152.6150.1178.5-156.8-99.3000110L3 F4 I314 L320 L359 T361L3-W322 HydrophobicContact CD1-CH2 4.07Å; L3-W322 HydrophobicContact CD1-CZ2 4.19Å; F4-W322 HydrophobicContact CD1-CZ2 4.03Å; F4-W322 HydrophobicContact CE1-CH2 4.16Å; F4-W322 HydrophobicContact CE1-CZ2 4.08Å; F4-W322 HydrophobicContact CE1-CZ3 4.41Å; I314-W322 HydrophobicContact CB-CB 4.01Å; I314-W322 HydrophobicContact CD1-CB 4.04Å; I314-W322 HydrophobicContact CG1-CB 4.42Å; I314-W322 PolarHBondContact N-O 3.41Å; I314-W322 PolarHBondContact O-N 2.84Å; L320-W322 VanDerWaalsContact CD1-O 3.25Å; L320-W322 WeakPolarHBondContact CD1-O 3.36Å; W322-L359 HydrophobicContact CG-CD1 4.26Å; W322-T361 HydrophobicContact CH2-CG2 4.05Å; W322-T361 HydrophobicContact CZ2-CG2 3.98Å
323A95.9Very high95.2Very high25 Ų2539.1 Ų39.121%0.20721%0.206CC..EExtended strand (participates in β ladder)trans-134.7136.9169.400000107.9F4 L312 L320F4-A323 VanDerWaalsContact CD1-O 3.3Å; F4-A323 WeakPolarHBondContact CD1-O 3.35Å; L312-A323 WeakPolarHBondContact O-CA 3.33Å; L320-A323 HydrophobicContact CD2-CB 4.43Å
324T95.9Very high95.1Very high1 Ų141.4 Ų41.41%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-139.8138-177.2-168.70000111.2F4 K5 A6 M311 L312 L359F4-T324 CarbonylContact O-C 3.55Å; F4-T324 WeakPolarHBondContact O-CA 3.49Å; K5-T324 WeakPolarHBondContact CA-OG1 3.49Å; K5-T324 PolarHBondContact N-OG1 2.73Å; A6-T324 HydrophobicContact CB-CG2 4.5Å; A6-T324 PolarHBondContact N-OG1 2.71Å; M311-T324 WeakPolarHBondContact CA-O 3.35Å; L312-T324 HydrophobicContact CB-CG2 3.78Å; L312-T324 HydrophobicContact CD2-CG2 4.36Å; L312-T324 PolarHBondContact N-O 2.88Å; L312-T324 PolarHBondContact O-N 2.77Å; T324-L359 HydrophobicContact CG2-CD2 3.65Å
325Q96Very high95.1Very high103 Ų10343.1 Ų43.148%0.48123%0.225SC..EExtended strand (participates in β ladder)trans-74130.5173.9-64.7173.6-3.400109.5F4 A6 M311F4-Q325 PolarHBondContact O-N 3.38Å; A6-Q325 WeakPolarHBondContact CB-O 3.2Å; A6-Q325 PolarHBondContact N-O 3.19Å; M311-Q325 HydrophobicContact CG-CG 4.46Å; M311-Q325 HydrophobicContact SD-CG 4.32Å
326L95.4Very high94.8Very high13 Ų1343.1 Ų43.17%0.06823%0.227CC..  trans-100.1157.1171.7-63171.6000109.5A6 N310 L312 H328 P330 T347A6-L326 HydrophobicContact CB-CD2 3.72Å; N310-L326 WeakPolarHBondContact CB-O 3.18Å; N310-L326 WeakPolarHBondContact O-CA 3.35Å; N310-L326 WeakPolarHBondContact O-CB 3.48Å; N310-L326 PolarHBondContact O-N 3.44Å; L312-L326 HydrophobicContact CB-CD1 3.8Å; L312-L326 HydrophobicContact CB-CD2 4.21Å; L312-L326 HydrophobicContact CB-CG 3.97Å; L312-L326 HydrophobicContact CD1-CD1 4.47Å; L312-L326 HydrophobicContact CD2-CD2 4.41Å; L326-H328 VanDerWaalsContact C-N 3.33Å; L326-P330 HydrophobicContact CD1-CG 3.24Å; L326-T347 HydrophobicContact CD2-CG2 4.34Å
327P92.9Very high94.8Very high83 Ų8343 Ų4354%0.53923%0.23SC..SBendtrans-77.1-17.2176.523.5-24.2000114
328H94.3Very high94.8Very high10 Ų1041 Ų415%0.04622%0.219CC..SBendtrans-144.3176.1-172.257.1-52.4000109.9N310 L326 P330 T347 H353N310-H328 WeakPolarHBondContact CA-O 3.39Å; N310-H328 WeakPolarHBondContact CB-O 3.27Å; L326-H328 VanDerWaalsContact C-N 3.33Å; H328-P330 VanDerWaalsContact O-CD 3.24Å; H328-P330 WeakPolarHBondContact O-CD 3.43Å; H328-T347 PolarHBondContact CE1-OG1 3.32Å; H328-T347 PolarHBondContact NE2-OG1 2.9Å; H328-T347 VanDerWaalsContact NE2-OG1 3.08Å; H328-H353 HydrophobicContact CB-CB 4.32Å
329I97.1Very high94.4Very high51 Ų5142.6 Ų42.626%0.26222%0.223SC..  trans-90.3122.9177-62.5174.2000110.2H308 N310 V331H308-I329 WeakPolarHBondContact O-CD1 3.45Å; N310-I329 WeakPolarHBondContact OD1-CG1 3.33Å; I329-V331 PolarHBondContact O-N 2.89Å
330P96.8Very high93.9Very high0 Ų045.1 Ų45.10%023%0.233CC..  trans-38.9102.7162.448.1-34.3000120.7S288 L326 H328 T347S288-P330 WeakPolarHBondContact CB-O 3.18Å; S288-P330 PolarHBondContact OG-O 2.78Å; L326-P330 HydrophobicContact CD1-CG 3.24Å; H328-P330 VanDerWaalsContact O-CD 3.24Å; H328-P330 WeakPolarHBondContact O-CD 3.43Å; P330-T347 HydrophobicContact CB-CG2 4.3Å; P330-T347 HydrophobicContact CG-CG2 4.05Å
331V96.6Very high93.6Very high23 Ų2344.4 Ų44.414%0.13923%0.23CC..SBendtrans-94.2-36.8160177.30000111.2C289 I329 L348 D350C289-V331 WeakPolarHBondContact CB-O 3.18Å; I329-V331 PolarHBondContact O-N 2.89Å; V331-L348 PolarHBondContact N-O 2.75Å; V331-D350 HydrophobicContact CG2-CB 3.8Å; V331-D350 VanDerWaalsContact CG2-N 3.28Å
332A97Very high93.4Very high2 Ų247.4 Ų47.42%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-137.4146.7170.200000111.3L25 T347 L348L25-A332 HydrophobicContact CB-CB 3.6Å; L25-A332 HydrophobicContact CD2-CB 3.83Å; L25-A332 HydrophobicContact CG-CB 4.33Å; A332-T347 WeakPolarHBondContact O-CA 3.44Å; A332-L348 HydrophobicContact CB-CB 4.47Å; A332-L348 PolarHBondContact N-O 2.94Å; A332-L348 PolarHBondContact O-N 3.29Å
333V96.9Very high93.1Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-132.4135.2172.763.40000110.6L291 L312 I345 V346 T347L291-V333 HydrophobicContact CB-CG1 3.91Å; L312-V333 HydrophobicContact CD1-CG2 4.41Å; V333-I345 HydrophobicContact CG2-CG2 3.83Å; V333-V346 CarbonylContact C-O 3.53Å; V333-V346 WeakPolarHBondContact CA-O 3.47Å; V333-T347 HydrophobicContact CB-CG2 4.45Å; V333-T347 HydrophobicContact CG2-CG2 4.08Å
334R95.9Very high93Very high59 Ų5945.3 Ų45.322%0.22324%0.244CC..EExtended strand (participates in β ladder)trans-132.6156.5175-63.8-65.2179-100.40.7110.1L25 L27 V346L25-R334 HydrophobicContact CD2-CB 4.38Å; L25-R334 HydrophobicContact CD2-CG 3.93Å; L25-R334 HydrophobicContact CG-CG 4.02Å; L25-R334 PolarHBondContact O-NE 3.36Å; L25-R334 PolarHBondContact O-NH2 3.48Å; L27-R334 HydrophobicContact CB-CB 4.4Å; L27-R334 HydrophobicContact CD1-CB 3.44Å; L27-R334 VanDerWaalsContact CD1-CB 3.44Å; L27-R334 HydrophobicContact CD1-CG 4.5Å; L27-R334 HydrophobicContact CG-CB 3.66Å; L27-R334 HydrophobicContact CG-CG 4.22Å; R334-V346 PolarHBondContact N-O 2.87Å; R334-V346 PolarHBondContact O-N 3.39Å
335V94.6Very high93Very high47 Ų4745.7 Ų45.729%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-128.3119.5173.8177.70000107.9L291 L304 V344 I345L291-V335 HydrophobicContact CD2-CB 4.16Å; L291-V335 HydrophobicContact CD2-CG2 3.95Å; L304-V335 HydrophobicContact CD1-CG2 3.45Å; L304-V335 VanDerWaalsContact CD1-CG2 3.45Å; V335-V344 WeakPolarHBondContact CA-O 3.43Å; V335-I345 HydrophobicContact CG2-CG1 4.45Å
336G90.2Very high93Very high8 Ų840.8 Ų40.88%0.08222%0.223CC..EExtended strand (participates in β ladder)trans-136.4-177.1-173.400000113.7D38 G343 V344D38-G336 WeakPolarHBondContact OD2-CA 3.37Å; G336-G343 PolarHBondContact O-N 3.46Å; G336-V344 PolarHBondContact N-O 2.8Å; G336-V344 VanDerWaalsContact N-O 3.17Å; G336-V344 PolarHBondContact O-N 2.84Å
337C91.9Very high93.1Very high30 Ų3040.1 Ų40.120%0.20322%0.22CC..EExtended strand (participates in β ladder)trans-110.3102.5172.7-174.60000109.5D38 L341 K342D38-C337 PolarHBondContact N-O 3.22Å; D38-C337 PolarHBondContact OD2-N 2.89Å; C337-L341 WeakPolarHBondContact CA-O 3.31Å; C337-K342 HydrophobicContact CB-CG 4.26Å
338L89.8Confident93.3Very high2 Ų236.2 Ų36.21%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-113126.1-178.3-59.5177.5000109.4W9 D38 I40 D340 L341 V344 V346 C356W9-L338 HydrophobicContact CH2-CB 3.84Å; W9-L338 WeakPolarHBondContact CH2-O 3.47Å; W9-L338 HydrophobicContact CZ3-CB 3.67Å; W9-L338 HydrophobicContact CZ3-CD1 4.08Å; D38-L338 HydrophobicContact CB-CD2 4Å; D38-L338 VanDerWaalsContact O-CD2 3.23Å; D38-L338 WeakPolarHBondContact O-CD2 3.46Å; I40-L338 HydrophobicContact CD1-CD1 4.16Å; I40-L338 HydrophobicContact CG1-CD1 4.44Å; I40-L338 HydrophobicContact CG1-CD2 4.35Å; L338-D340 PolarHBondContact O-N 3.43Å; L338-L341 PolarHBondContact N-O 3.44Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 2.92Å; L338-V344 HydrophobicContact CB-CG2 4.49Å; L338-V344 HydrophobicContact CD1-CB 4.31Å; L338-V344 HydrophobicContact CD1-CG1 4.04Å; L338-V346 HydrophobicContact CD1-CG2 3.85Å; L338-C356 HydrophobicContact CD1-CB 4.42Å; L338-C356 VanDerWaalsContact CD1-SG 3.52Å
339H86Confident93.4Very high92 Ų9235.9 Ų35.943%0.42619%0.193SC..THydrogen-bonded Turntrans44.855.8177.8-159.765.3000114.1W9 H55 L341W9-H339 HydrophobicContact CH2-CB 3.88Å; W9-H339 HydrophobicContact CZ2-CB 4.31Å; H55-H339 AromaticContact CD2-CE1 3.68Å; H55-H339 AromaticContact CD2-ND1 3.26Å; H55-H339 PolarHBondContact CD2-ND1 2.72Å; H55-H339 VanDerWaalsContact CD2-ND1 3.26Å; H339-L341 PolarHBondContact O-N 3.3Å
340D82.5Confident93.3Very high135 Ų13537.5 Ų37.572%0.72220%0.202SC*.THydrogen-bonded Turntrans61.53.2-177.3-61.2-23.6000116.5Q37 L338Q37-D340 PolarHBondContact NE2-OD1 2.95Å; L338-D340 PolarHBondContact O-N 3.43Å
341L89.5Confident93.1Very high69 Ų6941.1 Ų41.136%0.36122%0.221SC..EExtended strand (participates in β ladder)trans-94112.2170.9-173.360.3000110.3W9 C337 L338 H339 V344W9-L341 HydrophobicContact CD2-CD2 4.33Å; W9-L341 HydrophobicContact CZ2-CB 4.35Å; W9-L341 HydrophobicContact CZ2-CD2 4.2Å; C337-L341 WeakPolarHBondContact CA-O 3.31Å; L338-L341 PolarHBondContact N-O 3.44Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 2.92Å; H339-L341 PolarHBondContact O-N 3.3Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD2-CG2 3.58Å; L341-V344 HydrophobicContact CG-CG2 3.54Å; L341-V344 WeakPolarHBondContact O-CG2 3.11Å
342K90.4Very high93Very high173 Ų17340 Ų4075%0.75222%0.215SC*.EExtended strand (participates in β ladder)trans-83145.4175.7-69.1-178.1178.7-177.70111.4C337C337-K342 HydrophobicContact CB-CG 4.26Å
343G89.8Confident92.9Very high46 Ų4643.1 Ų43.147%0.47423%0.229SC..EExtended strand (participates in β ladder)trans79.324.5172.200000113.5G336G336-G343 PolarHBondContact O-N 3.46Å
344V94.1Very high92.9Very high4 Ų443.2 Ų43.22%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-71.1130174.4-177.80000108.6W9 V335 G336 L338 L341 V346 C356W9-V344 HydrophobicContact CE3-CG1 4.19Å; V335-V344 WeakPolarHBondContact CA-O 3.43Å; G336-V344 PolarHBondContact N-O 2.8Å; G336-V344 VanDerWaalsContact N-O 3.17Å; G336-V344 PolarHBondContact O-N 2.84Å; L338-V344 HydrophobicContact CB-CG2 4.49Å; L338-V344 HydrophobicContact CD1-CB 4.31Å; L338-V344 HydrophobicContact CD1-CG1 4.04Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD2-CG2 3.58Å; L341-V344 HydrophobicContact CG-CG2 3.54Å; L341-V344 WeakPolarHBondContact O-CG2 3.11Å; V344-V346 HydrophobicContact CG1-CG2 4.5Å; V344-C356 HydrophobicContact CG1-CB 3.77Å
345I95.9Very high92.8Very high9 Ų941 Ų415%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-88.4117.9178.2-55.3173.9000107.6L304 L312 V333 V335 T347 C356 S357 L359L304-I345 HydrophobicContact CD2-CD1 3.93Å; L304-I345 HydrophobicContact CD2-CG1 4.36Å; L312-I345 HydrophobicContact CD2-CD1 3.93Å; L312-I345 HydrophobicContact CD2-CG2 3.74Å; V333-I345 HydrophobicContact CG2-CG2 3.83Å; V335-I345 HydrophobicContact CG2-CG1 4.45Å; I345-T347 HydrophobicContact CG2-CG2 4.07Å; I345-C356 CarbonylContact O-C 3.59Å; I345-C356 WeakPolarHBondContact O-CA 3.19Å; I345-S357 PolarHBondContact N-O 3.11Å; I345-S357 PolarHBondContact O-N 3.45Å; I345-S357 PolarHBondContact O-OG 3.38Å; I345-L359 HydrophobicContact CD1-CD2 3.73Å; I345-L359 HydrophobicContact CD1-CG 4.23Å
346V96.5Very high92.8Very high0 Ų038.8 Ų38.80%021%0.208CC..EExtended strand (participates in β ladder)trans-106.4120.6177.2-172.80000108.6L25 L27 I40 V333 R334 L338 V344 L354 Q355L25-V346 HydrophobicContact CD1-CG1 4.19Å; L25-V346 HydrophobicContact CD2-CG1 4.28Å; L27-V346 HydrophobicContact CD1-CB 4.1Å; L27-V346 HydrophobicContact CD1-CG2 3.7Å; L27-V346 HydrophobicContact CD2-CG2 4.25Å; I40-V346 HydrophobicContact CD1-CG1 4.08Å; I40-V346 HydrophobicContact CG2-CG1 4.19Å; V333-V346 CarbonylContact C-O 3.53Å; V333-V346 WeakPolarHBondContact CA-O 3.47Å; R334-V346 PolarHBondContact N-O 2.87Å; R334-V346 PolarHBondContact O-N 3.39Å; L338-V346 HydrophobicContact CD1-CG2 3.85Å; V344-V346 HydrophobicContact CG1-CG2 4.5Å; V346-L354 HydrophobicContact CG1-CD1 4Å; V346-Q355 CarbonylContact C-O 3.57Å; V346-Q355 VanDerWaalsContact CA-O 3.29Å; V346-Q355 WeakPolarHBondContact CA-O 3.33Å
347T97.2Very high93Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-119.3142.617956.20000110.5L326 H328 P330 A332 V333 I345 Q355L326-T347 HydrophobicContact CD2-CG2 4.34Å; H328-T347 PolarHBondContact CE1-OG1 3.32Å; H328-T347 PolarHBondContact NE2-OG1 2.9Å; H328-T347 VanDerWaalsContact NE2-OG1 3.08Å; P330-T347 HydrophobicContact CB-CG2 4.3Å; P330-T347 HydrophobicContact CG-CG2 4.05Å; A332-T347 WeakPolarHBondContact O-CA 3.44Å; V333-T347 HydrophobicContact CB-CG2 4.45Å; V333-T347 HydrophobicContact CG2-CG2 4.08Å; I345-T347 HydrophobicContact CG2-CG2 4.07Å; T347-Q355 PolarHBondContact N-O 3.08Å; T347-Q355 PolarHBondContact O-N 2.89Å
348L97.2Very high93.1Very high0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-124.5135.9173.5176.865.5000109.3L14 F20 C24 L25 V42 V331 A332 H353 L354L14-L348 HydrophobicContact CD1-CD1 3.85Å; F20-L348 HydrophobicContact CB-CD2 3.92Å; F20-L348 HydrophobicContact CB-CG 4.27Å; F20-L348 HydrophobicContact CD1-CD2 4.15Å; F20-L348 HydrophobicContact CD2-CD1 4.48Å; F20-L348 HydrophobicContact CG-CD1 4.3Å; F20-L348 HydrophobicContact CG-CD2 4.15Å; F20-L348 HydrophobicContact CG-CG 4.44Å; C24-L348 HydrophobicContact CB-CD2 4.05Å; L25-L348 HydrophobicContact CB-CB 4.25Å; L25-L348 HydrophobicContact CB-CD2 3.93Å; L25-L348 HydrophobicContact CD2-CB 3.97Å; L25-L348 HydrophobicContact CG-CB 4.48Å; V42-L348 HydrophobicContact CG1-CD1 4.27Å; V42-L348 HydrophobicContact CG1-CD2 3.71Å; V331-L348 PolarHBondContact N-O 2.75Å; A332-L348 HydrophobicContact CB-CB 4.47Å; A332-L348 PolarHBondContact N-O 2.94Å; A332-L348 PolarHBondContact O-N 3.29Å; L348-H353 WeakPolarHBondContact CA-O 3.35Å; L348-L354 HydrophobicContact CB-CD1 4.38Å; L348-L354 HydrophobicContact CD1-CB 4.31Å; L348-L354 HydrophobicContact CD1-CD1 4.33Å
349S96.4Very high93.3Very high3 Ų343.7 Ų43.72%0.02122%0.224CC..  trans-90.8163.3171.2-147.40000112.6D351 G352 H353S349-D351 VanDerWaalsContact C-N 3.32Å; S349-D351 WeakPolarHBondContact CB-OD1 3.14Å; S349-D351 PolarHBondContact OG-OD1 3.34Å; S349-G352 PolarHBondContact O-N 3.43Å; S349-H353 PolarHBondContact N-O 3.36Å
350D94.2Very high93.6Very high86 Ų8639.4 Ų39.446%0.4621%0.205SC..THydrogen-bonded Turntrans-64.7-35.1165.951-5.4000112.4E19 F20 V331 G352E19-D350 WeakPolarHBondContact CA-O 3.42Å; F20-D350 WeakPolarHBondContact CD2-O 3.03Å; F20-D350 PolarHBondContact N-O 3.04Å; V331-D350 HydrophobicContact CG2-CB 3.8Å; V331-D350 VanDerWaalsContact CG2-N 3.28Å; D350-G352 VanDerWaalsContact C-N 3.28Å; D350-G352 PolarHBondContact O-N 2.93Å
351D93.4Very high94Very high75 Ų7537.6 Ų37.640%0.40120%0.199SC..THydrogen-bonded Turntrans-83.32.2179.873.3-13.4000114.7S349 H353S349-D351 VanDerWaalsContact C-N 3.32Å; S349-D351 WeakPolarHBondContact CB-OD1 3.14Å; S349-D351 PolarHBondContact OG-OD1 3.34Å; D351-H353 IonicContact OD1-CE1 3.48Å; D351-H353 IonicContact OD1-CG 3.4Å; D351-H353 PolarHBondContact OD1-N 3.07Å; D351-H353 IonicContact OD1-ND1 2.7Å; D351-H353 PolarHBondContact OD1-ND1 3.13Å; D351-H353 IonicContact OD2-CE1 2.79Å; D351-H353 PolarHBondContact OD2-CE1 3.45Å; D351-H353 IonicContact OD2-ND1 3.74Å; D351-H353 PolarHBondContact OD2-ND1 2.87Å
352G93.9Very high94Very high0 Ų039.2 Ų39.20%021%0.208CC..  trans93.36.5175.200000116.4L14 S349 D350 L354L14-G352 WeakPolarHBondContact CB-O 3.25Å; L14-G352 WeakPolarHBondContact CG-O 3.37Å; L14-G352 PolarHBondContact N-O 3.24Å; S349-G352 PolarHBondContact O-N 3.43Å; D350-G352 VanDerWaalsContact C-N 3.28Å; D350-G352 PolarHBondContact O-N 2.93Å; G352-L354 PolarHBondContact O-N 2.94Å; G352-L354 VanDerWaalsContact O-N 3.11Å
353H94.9Very high93.7Very high67 Ų6734.9 Ų34.931%0.3120%0.197SC..EExtended strand (participates in β ladder)trans-65.2114.8167.9-67.682000110.2H328 L348 S349 D351H328-H353 HydrophobicContact CB-CB 4.32Å; L348-H353 WeakPolarHBondContact CA-O 3.35Å; S349-H353 PolarHBondContact N-O 3.36Å; D351-H353 IonicContact OD1-CE1 3.48Å; D351-H353 IonicContact OD1-CG 3.4Å; D351-H353 PolarHBondContact OD1-N 3.07Å; D351-H353 IonicContact OD1-ND1 2.7Å; D351-H353 PolarHBondContact OD1-ND1 3.13Å; D351-H353 IonicContact OD2-CE1 2.79Å; D351-H353 PolarHBondContact OD2-CE1 3.45Å; D351-H353 IonicContact OD2-ND1 3.74Å; D351-H353 PolarHBondContact OD2-ND1 2.87Å
354L95.8Very high92.9Very high2 Ų234.9 Ų34.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-111122.7174.4177.767.3000109W10 S11 T12 L14 L25 I40 V42 F52 V346 L348 G352W10-L354 HydrophobicContact CH2-CD2 3.85Å; W10-L354 HydrophobicContact CZ3-CD2 3.67Å; W10-L354 HydrophobicContact CZ3-CG 3.97Å; S11-L354 WeakPolarHBondContact CA-O 3.28Å; T12-L354 HydrophobicContact CG2-CB 4.18Å; T12-L354 HydrophobicContact CG2-CD2 4.2Å; T12-L354 PolarHBondContact N-O 3.42Å; T12-L354 PolarHBondContact O-N 2.91Å; T12-L354 VanDerWaalsContact O-O 3.09Å; L14-L354 HydrophobicContact CD1-CB 3.91Å; L14-L354 HydrophobicContact CD1-CD2 4.18Å; L14-L354 HydrophobicContact CD2-CB 4.45Å; L14-L354 HydrophobicContact CD2-CD2 4.24Å; L14-L354 HydrophobicContact CG-CB 3.99Å; L25-L354 HydrophobicContact CD1-CD1 4.1Å; I40-L354 HydrophobicContact CG2-CD1 4.04Å; I40-L354 HydrophobicContact CG2-CD2 4.05Å; V42-L354 HydrophobicContact CG2-CD1 4.23Å; V42-L354 HydrophobicContact CG2-CD2 4.06Å; F52-L354 HydrophobicContact CD2-CD2 4Å; F52-L354 HydrophobicContact CE2-CD2 4.01Å; V346-L354 HydrophobicContact CG1-CD1 4Å; L348-L354 HydrophobicContact CB-CD1 4.38Å; L348-L354 HydrophobicContact CD1-CB 4.31Å; L348-L354 HydrophobicContact CD1-CD1 4.33Å; G352-L354 PolarHBondContact O-N 2.94Å; G352-L354 VanDerWaalsContact O-N 3.11Å
355Q94.4Very high92Very high14 Ų1441.5 Ų41.57%0.06522%0.224CC..EExtended strand (participates in β ladder)trans-138.2132.1-174.4179.5174.241.200112.7D8 V346 T347D8-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q355 PolarHBondContact OD1-NE2 2.81Å; V346-Q355 CarbonylContact C-O 3.57Å; V346-Q355 VanDerWaalsContact CA-O 3.29Å; V346-Q355 WeakPolarHBondContact CA-O 3.33Å; T347-Q355 PolarHBondContact N-O 3.08Å; T347-Q355 PolarHBondContact O-N 2.89Å
356C95Very high91Very high0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-97.3125.9162.4-63.20000109.2W9 W10 I40 L338 V344 I345W9-C356 WeakPolarHBondContact CA-O 3.36Å; W9-C356 HydrophobicContact CB-CB 4.43Å; W9-C356 VanDerWaalsContact CB-O 3.3Å; W9-C356 WeakPolarHBondContact CB-O 3.4Å; W9-C356 HydrophobicContact CE3-CB 3.74Å; W9-C356 HydrophobicContact CZ3-CB 4.49Å; W9-C356 PolarHBondContact N-O 2.62Å; W10-C356 HydrophobicContact CB-CB 4.2Å; W10-C356 HydrophobicContact CE3-CB 4.47Å; W10-C356 PolarHBondContact N-O 3.48Å; W10-C356 WeakPolarHBondContact O-CA 3.49Å; W10-C356 WeakPolarHBondContact O-CB 3.43Å; W10-C356 PolarHBondContact O-N 2.93Å; I40-C356 WeakPolarHBondContact CD1-SG 3.46Å; L338-C356 HydrophobicContact CD1-CB 4.42Å; L338-C356 VanDerWaalsContact CD1-SG 3.52Å; V344-C356 HydrophobicContact CG1-CB 3.77Å; I345-C356 CarbonylContact O-C 3.59Å; I345-C356 WeakPolarHBondContact O-CA 3.19Å
357S94.3Very high90.2Very high1 Ų157.9 Ų57.91%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-139.6160.4-174.763.40000113.3R7 I345R7-S357 WeakPolarHBondContact O-CA 3.42Å; R7-S357 VanDerWaalsContact O-CB 3.22Å; R7-S357 WeakPolarHBondContact O-CB 3.4Å; I345-S357 PolarHBondContact N-O 3.11Å; I345-S357 PolarHBondContact O-N 3.45Å; I345-S357 PolarHBondContact O-OG 3.38Å
358Y93.1Very high89.3Confident89 Ų8962.3 Ų62.335%0.34934%0.335SS..EExtended strand (participates in β ladder)trans-125.3163.7168.957.8-86.7000110.5R7 W9 G360R7-Y358 HydrophobicContact CB-CD1 4.3Å; R7-Y358 HydrophobicContact CB-CD2 3.78Å; R7-Y358 HydrophobicContact CB-CE1 3.89Å; R7-Y358 HydrophobicContact CB-CE2 3.32Å; R7-Y358 HydrophobicContact CB-CG 4.24Å; R7-Y358 HydrophobicContact CG-CD2 4.36Å; R7-Y358 HydrophobicContact CG-CE2 3.8Å; R7-Y358 PolarHBondContact N-O 3.21Å; R7-Y358 PolarHBondContact O-N 2.99Å; W9-Y358 HydrophobicContact CB-CD1 3.99Å; W9-Y358 HydrophobicContact CB-CE1 4.14Å; W9-Y358 HydrophobicContact CG-CD1 4.44Å; Y358-G360 PolarHBondContact O-N 3.29Å
359L94.6Very high88.3Confident53 Ų5367.4 Ų67.428%0.27737%0.368SS..EExtended strand (participates in β ladder)trans-79.5121.6-176-56.8177.3000110.9I314 W322 T324 I345 T361I314-L359 HydrophobicContact CD1-CD1 3.5Å; I314-L359 HydrophobicContact CD1-CD2 4.14Å; I314-L359 HydrophobicContact CD1-CG 4.43Å; W322-L359 HydrophobicContact CG-CD1 4.26Å; T324-L359 HydrophobicContact CG2-CD2 3.65Å; I345-L359 HydrophobicContact CD1-CD2 3.73Å; I345-L359 HydrophobicContact CD1-CG 4.23Å; L359-T361 PolarHBondContact O-N 3.11Å
360G92.2Very high87.3Confident2 Ų274.8 Ų74.82%0.02141%0.407CS..  trans-73120.8173.100000111.8S2 L3 F4 K5 Y358S2-G360 CarbonylContact O-C 3.59Å; S2-G360 WeakPolarHBondContact O-CA 3.48Å; L3-G360 WeakPolarHBondContact CA-O 3.47Å; F4-G360 PolarHBondContact N-O 2.84Å; F4-G360 VanDerWaalsContact N-O 3.14Å; K5-G360 WeakPolarHBondContact O-CA 3.18Å; K5-G360 PolarHBondContact O-N 2.78Å; Y358-G360 PolarHBondContact O-N 3.29Å
361T92.2Very high86.5Confident97 Ų9774 Ų7460%0.59541%0.405SS*.  trans-1143.6-173.650.40000113.9W322 L359 P363W322-T361 HydrophobicContact CH2-CG2 4.05Å; W322-T361 HydrophobicContact CZ2-CG2 3.98Å; L359-T361 PolarHBondContact O-N 3.11Å; T361-P363 VanDerWaalsContact O-CD 3.29Å; T361-P363 WeakPolarHBondContact O-CD 3.42Å
362D88Confident85.4Confident103 Ų10378.5 Ų78.555%0.55142%0.424SS*.  trans-96.3106.6-172-161.712.2000111.9S2 L3S2-D362 PolarHBondContact N-O 2.94Å; S2-D362 WeakPolarHBondContact OG-CB 3.14Å; S2-D362 PolarHBondContact OG-N 2.95Å; L3-D362 WeakPolarHBondContact CB-O 3.26Å; L3-D362 PolarHBondContact N-O 3.21Å
363P84.5Confident84.4Confident82 Ų8283.6 Ų83.653%0.53246%0.459SS..PPolyproline II helixtrans-65.8133.7-179.227.7-34.1000111.7L3 T361L3-P363 HydrophobicContact CD2-CB 4.1Å; T361-P363 VanDerWaalsContact O-CD 3.29Å; T361-P363 WeakPolarHBondContact O-CD 3.42Å
364S73.4Confident83Confident46 Ų4690.4 Ų90.432%0.32248%0.482SS..PPolyproline II helixtrans-76.4138.4174.553.80000111.9F366S364-F366 PolarHBondContact O-N 3.35Å
365L74.8Confident81.9Confident142 Ų14298.2 Ų98.274%0.74352%0.519SS*.PPolyproline II helixtrans-70.8116.9158.8-62.1171.5000108Q367L365-Q367 HydrophobicContact CB-CG 4.44Å; L365-Q367 PolarHBondContact O-N 3.07Å
366F74.7Confident81Confident202 Ų202102.8 Ų102.889%0.88654%0.543SS*.  trans-74.870.8177.7-67.9-88.1000110.8S364S364-F366 PolarHBondContact O-N 3.35Å
367Q80Confident80.5Confident151 Ų151106.9 Ų106.971%0.70657%0.565SS**  trans-120.4139.1179.5-67.2-179.9-4.400110.2L365L365-Q367 HydrophobicContact CB-CG 4.44Å; L365-Q367 PolarHBondContact O-N 3.07Å
368A77.6Confident80.2Confident93 Ų93114.8 Ų114.877%0.76960%0.596SS**  trans-59.3133.1171.400000108.9N370A368-N370 PolarHBondContact O-N 3.39Å
369P76.4Confident80Confident107 Ų107116.8 Ų116.870%0.69561%0.613SS**  trans-64.1130.1-177.626.4-33000109.4V371P369-V371 VanDerWaalsContact C-N 3.3Å; P369-V371 HydrophobicContact CB-CG2 3.81Å; P369-V371 HydrophobicContact CG-CG2 3.94Å; P369-V371 WeakPolarHBondContact O-CG2 3.39Å; P369-V371 PolarHBondContact O-N 2.93Å
370N76.7Confident79.6Confident159 Ų159120.5 Ų120.585%0.8563%0.628SS**  trans-79.581.1177.4-166.5-3.1000109.1A368A368-N370 PolarHBondContact O-N 3.39Å
371V76.5Confident79.4Confident68 Ų68124.3 Ų124.341%0.41265%0.648SS.*  trans-99.4106-176.5-142.10000109.6P369 S373P369-V371 VanDerWaalsContact C-N 3.3Å; P369-V371 HydrophobicContact CB-CG2 3.81Å; P369-V371 HydrophobicContact CG-CG2 3.94Å; P369-V371 WeakPolarHBondContact O-CG2 3.39Å; P369-V371 PolarHBondContact O-N 2.93Å; V371-S373 WeakPolarHBondContact CG1-OG 3.4Å; V371-S373 PolarHBondContact O-N 2.89Å
372Q70.4Confident79.4Confident170 Ų170123.1 Ų123.179%0.79464%0.638SS**THydrogen-bonded Turntrans-68.8-18174.2-71.5-179.5-17.200113.1
373S72.4Confident79.5Confident107 Ų107123 Ų12375%0.74864%0.641SS**THydrogen-bonded Turntrans-88.8-4.8-175.9580000114.9V371V371-S373 WeakPolarHBondContact CG1-OG 3.4Å; V371-S373 PolarHBondContact O-N 2.89Å
374R66.2Low79.8Confident211 Ų211124.3 Ų124.380%0.79664%0.64SS**  trans-117.357.4177.6-69.9-163.8176.9-163.9-0.2110.8
375E72Confident80.7Confident166 Ų166126.9 Ų126.978%0.77665%0.648SS**  trans-66.8143.4166.7-63.3-173.5172.700109.4
376L76.8Confident81.5Confident110 Ų110126 Ų12658%0.57664%0.638SS**  trans-63.8141.5174.6-89.872.9000109.4Y378 L381L376-Y378 VanDerWaalsContact C-N 3.26Å; L376-Y378 HydrophobicContact CB-CD2 4.35Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 WeakPolarHBondContact O-CD2 3.37Å; L376-Y378 PolarHBondContact O-N 3.27Å; L376-L381 HydrophobicContact CB-CD1 4.31Å; L376-L381 HydrophobicContact CD2-CD1 4.09Å
377N83.5Confident82.3Confident85 Ų85121.5 Ų121.546%0.45562%0.62SS.*  trans-74.979173.6-170.93.1000110.4D379 E380 L381N377-D379 PolarHBondContact O-N 2.93Å; N377-E380 HydrophobicContact CB-CB 4.44Å; N377-E380 WeakPolarHBondContact ND2-CB 3.37Å; N377-E380 PolarHBondContact ND2-OE2 2.68Å; N377-E380 PolarHBondContact O-N 3.15Å; N377-L381 WeakPolarHBondContact O-CD1 3.44Å; N377-L381 PolarHBondContact O-N 2.9Å
378Y88.1Confident82.8Confident167 Ų167118 Ų11866%0.65561%0.605SS**Hα-helixtrans-59.3-32.6-176.7-74.9-81.6000113.1L376 D382L376-Y378 VanDerWaalsContact C-N 3.26Å; L376-Y378 HydrophobicContact CB-CD2 4.35Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 WeakPolarHBondContact O-CD2 3.37Å; L376-Y378 PolarHBondContact O-N 3.27Å; Y378-D382 VanDerWaalsContact O-CB 3.23Å; Y378-D382 WeakPolarHBondContact O-CB 3.39Å; Y378-D382 PolarHBondContact O-N 3.16Å
379D88Confident83.4Confident132 Ų132118 Ų11871%0.70659%0.59SS**Hα-helixtrans-66.6-45.9-177.2-68.1-28.8000111.6N377 V383N377-D379 PolarHBondContact O-N 2.93Å; D379-V383 VanDerWaalsContact O-CG2 3.31Å; D379-V383 WeakPolarHBondContact O-CG2 3.31Å; D379-V383 PolarHBondContact O-N 3.41Å; D379-V383 VanDerWaalsContact O-N 3.15Å
380E86.8Confident84.1Confident130 Ų130119.5 Ų119.561%0.60759%0.585SS**Hα-helixtrans-66.7-44.5177.4-175.4174.7-16700111.5N377 D382 V383 E384N377-E380 HydrophobicContact CB-CB 4.44Å; N377-E380 WeakPolarHBondContact ND2-CB 3.37Å; N377-E380 PolarHBondContact ND2-OE2 2.68Å; N377-E380 PolarHBondContact O-N 3.15Å; E380-D382 VanDerWaalsContact C-N 3.35Å; E380-D382 PolarHBondContact O-N 2.92Å; E380-V383 PolarHBondContact O-N 3.12Å; E380-E384 PolarHBondContact O-N 2.88Å
381L88.6Confident84.6Confident83 Ų83114.2 Ų114.244%0.43556%0.557SS.*Hα-helixtrans-62.2-39.3177.5-76.9160.6000112.4L376 N377 M385L376-L381 HydrophobicContact CB-CD1 4.31Å; L376-L381 HydrophobicContact CD2-CD1 4.09Å; N377-L381 WeakPolarHBondContact O-CD1 3.44Å; N377-L381 PolarHBondContact O-N 2.9Å; L381-M385 WeakPolarHBondContact O-CB 3.23Å; L381-M385 PolarHBondContact O-N 3.02Å
382D91.5Very high85Confident72 Ų72116 Ų11639%0.38556%0.563SS.*Hα-helixtrans-71-37.1179.1-176.263.5000111.9Y378 E380 M385 K386Y378-D382 VanDerWaalsContact O-CB 3.23Å; Y378-D382 WeakPolarHBondContact O-CB 3.39Å; Y378-D382 PolarHBondContact O-N 3.16Å; E380-D382 VanDerWaalsContact C-N 3.35Å; E380-D382 PolarHBondContact O-N 2.92Å; D382-M385 PolarHBondContact O-N 3.17Å; D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.29Å; D382-K386 WeakPolarHBondContact O-CG 3.43Å; D382-K386 PolarHBondContact O-N 2.92Å; D382-K386 IonicContact OD1-NZ 2.9Å; D382-K386 WeakPolarHBondContact OD2-CE 3.44Å; D382-K386 IonicContact OD2-NZ 3.11Å; D382-K386 PolarHBondContact OD2-NZ 3.23Å
383V91.6Very high85.9Confident101 Ų101114.1 Ų114.161%0.61255%0.552SS**Hα-helixtrans-62-49.6173.6170.50000110.6D379 E380 K386 E387D379-V383 VanDerWaalsContact O-CG2 3.31Å; D379-V383 WeakPolarHBondContact O-CG2 3.31Å; D379-V383 PolarHBondContact O-N 3.41Å; D379-V383 VanDerWaalsContact O-N 3.15Å; E380-V383 PolarHBondContact O-N 3.12Å; V383-K386 PolarHBondContact O-N 3.3Å; V383-E387 PolarHBondContact O-N 2.99Å
384E90Very high86.4Confident109 Ų109112.5 Ų112.551%0.50954%0.535SS..Hα-helixtrans-62.1-44.1176.6-172.8-177.9-178.400111.3E380 K386 E387 L388E380-E384 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 3.05Å; E384-E387 WeakPolarHBondContact O-CB 3.5Å; E384-E387 PolarHBondContact O-N 3Å; E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 PolarHBondContact O-N 2.87Å
385M91.1Very high86.9Confident100 Ų100106.3 Ų106.349%0.49352%0.52SS..Hα-helixtrans-61.3-40.4178.1-177.761.766.200112.2L381 D382 L388 Q389L381-M385 WeakPolarHBondContact O-CB 3.23Å; L381-M385 PolarHBondContact O-N 3.02Å; D382-M385 PolarHBondContact O-N 3.17Å; M385-L388 CarbonylContact O-C 3.57Å; M385-L388 VanDerWaalsContact O-CA 3.31Å; M385-L388 WeakPolarHBondContact O-CA 3.4Å; M385-L388 PolarHBondContact O-N 3.1Å; M385-Q389 WeakPolarHBondContact O-CG 3.07Å; M385-Q389 PolarHBondContact O-N 3.37Å; M385-Q389 HydrophobicContact SD-CG 4.47Å
386K93.3Very high87Confident124 Ų124103.8 Ų103.854%0.53951%0.512SS..Hα-helixtrans-66.9-39.4176.2-78.9170.8176.8162.50112D382 V383 E384 Q389 K390D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.29Å; D382-K386 WeakPolarHBondContact O-CG 3.43Å; D382-K386 PolarHBondContact O-N 2.92Å; D382-K386 IonicContact OD1-NZ 2.9Å; D382-K386 WeakPolarHBondContact OD2-CE 3.44Å; D382-K386 IonicContact OD2-NZ 3.11Å; D382-K386 PolarHBondContact OD2-NZ 3.23Å; V383-K386 PolarHBondContact O-N 3.3Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 3.05Å; K386-Q389 PolarHBondContact O-N 2.99Å; K386-K390 WeakPolarHBondContact O-CB 3.26Å; K386-K390 PolarHBondContact O-N 3.31Å
387E90.8Very high86.7Confident106 Ų106106.3 Ų106.350%0.49552%0.518SS..Hα-helixtrans-60.6-51.7171.9-163.3-166.8145.400110.3V383 E384 Q389 K390 I391 R514V383-E387 PolarHBondContact O-N 2.99Å; E384-E387 WeakPolarHBondContact O-CB 3.5Å; E384-E387 PolarHBondContact O-N 3Å; E387-Q389 PolarHBondContact O-N 2.91Å; E387-K390 WeakPolarHBondContact O-CB 3.36Å; E387-K390 PolarHBondContact O-N 3.01Å; E387-K390 VanDerWaalsContact O-N 3.12Å; E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CD1 3.32Å; E387-I391 WeakPolarHBondContact O-CG1 3.37Å; E387-I391 PolarHBondContact O-N 3.18Å; E387-I391 VanDerWaalsContact O-N 3.12Å; E387-R514 IonicContact OE1-NH2 3.7Å; E387-R514 PolarHBondContact OE1-NH2 2.86Å
388L90Very high85.5Confident77 Ų77104.6 Ų104.640%0.40351%0.513SS..Hα-helixtrans-23.7-73.7159.15285.9000113.8E384 M385 K390 I391 I392E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 PolarHBondContact O-N 2.87Å; M385-L388 CarbonylContact O-C 3.57Å; M385-L388 VanDerWaalsContact O-CA 3.31Å; M385-L388 WeakPolarHBondContact O-CA 3.4Å; M385-L388 PolarHBondContact O-N 3.1Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.88Å; L388-I391 HydrophobicContact CB-CD1 3.82Å; L388-I391 HydrophobicContact CD2-CD1 4.41Å; L388-I391 PolarHBondContact O-N 3.25Å; L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 2.99Å
389Q90.6Very high83.5Confident95 Ų95105.5 Ų105.544%0.44452%0.523SS..Hα-helixtrans-66.2-32.9-174.8-72179.81.900113M385 K386 E387 I392 K393M385-Q389 WeakPolarHBondContact O-CG 3.07Å; M385-Q389 PolarHBondContact O-N 3.37Å; M385-Q389 HydrophobicContact SD-CG 4.47Å; K386-Q389 PolarHBondContact O-N 2.99Å; E387-Q389 PolarHBondContact O-N 2.91Å; Q389-I392 PolarHBondContact O-N 2.92Å; Q389-K393 WeakPolarHBondContact O-CB 3.41Å; Q389-K393 WeakPolarHBondContact O-CG 3.44Å; Q389-K393 PolarHBondContact O-N 3.45Å
390K91.4Very high81.6Confident138 Ų138103 Ų10360%0.653%0.529SS*.Hα-helixtrans-61.1-47175.9-173.4-174.2174.5-171.70110.4K386 E387 L388 I392 K393 D394K386-K390 WeakPolarHBondContact O-CB 3.26Å; K386-K390 PolarHBondContact O-N 3.31Å; E387-K390 WeakPolarHBondContact O-CB 3.36Å; E387-K390 PolarHBondContact O-N 3.01Å; E387-K390 VanDerWaalsContact O-N 3.12Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.88Å; K390-I392 PolarHBondContact O-N 2.99Å; K390-K393 PolarHBondContact O-N 3.08Å; K390-D394 WeakPolarHBondContact O-CB 3.18Å; K390-D394 VanDerWaalsContact O-CG 3.27Å; K390-D394 PolarHBondContact O-N 3.43Å
391I86.8Confident79.4Confident48 Ų48101.4 Ų101.425%0.24653%0.528CS..Hα-helixtrans-60.1-46.2177.5-58.7138.1000110.6E387 L388 K393 D394 V395 R514E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CD1 3.32Å; E387-I391 WeakPolarHBondContact O-CG1 3.37Å; E387-I391 PolarHBondContact O-N 3.18Å; E387-I391 VanDerWaalsContact O-N 3.12Å; L388-I391 HydrophobicContact CB-CD1 3.82Å; L388-I391 HydrophobicContact CD2-CD1 4.41Å; L388-I391 PolarHBondContact O-N 3.25Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.04Å; I391-D394 PolarHBondContact O-N 2.92Å; I391-V395 VanDerWaalsContact O-CG2 3.3Å; I391-V395 WeakPolarHBondContact O-CG2 3.26Å; I391-V395 PolarHBondContact O-N 3.27Å; I391-R514 VanDerWaalsContact CD1-NH1 3.29Å
392I85.5Confident77.1Confident105 Ų105107.5 Ų107.554%0.53855%0.545SS..Hα-helixtrans-60-43.7178.9-65.5169.4000111.3L388 Q389 K390 V395 N396L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 2.99Å; Q389-I392 PolarHBondContact O-N 2.92Å; K390-I392 PolarHBondContact O-N 2.99Å; I392-V395 PolarHBondContact O-N 3.37Å; I392-N396 PolarHBondContact O-N 3.02Å
393K88Confident74.6Confident131 Ų131107.1 Ų107.157%0.5755%0.547SS*.Hα-helixtrans-66-40178.1-74.8177.9-177.71760112.2Q389 K390 I391 N396 K397Q389-K393 WeakPolarHBondContact O-CB 3.41Å; Q389-K393 WeakPolarHBondContact O-CG 3.44Å; Q389-K393 PolarHBondContact O-N 3.45Å; K390-K393 PolarHBondContact O-N 3.08Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.04Å; K393-N396 PolarHBondContact O-N 3.28Å; K393-K397 WeakPolarHBondContact O-CG 3.43Å; K393-K397 PolarHBondContact O-N 3.32Å; K393-K397 VanDerWaalsContact O-N 3.11Å
394D83.9Confident72Confident72 Ų72108.9 Ų108.939%0.38555%0.55SS.*Hα-helixtrans-69.1-35.4180-69-18.3000111.8K390 I391 K397 S398K390-D394 WeakPolarHBondContact O-CB 3.18Å; K390-D394 VanDerWaalsContact O-CG 3.27Å; K390-D394 PolarHBondContact O-N 3.43Å; I391-D394 PolarHBondContact O-N 2.92Å; D394-K397 IonicContact OD1-NZ 3.4Å; D394-S398 PolarHBondContact O-OG 3.07Å; D394-S398 VanDerWaalsContact O-OG 3.08Å
395V76.7Confident69.4Low82 Ų82109.3 Ų109.350%0.49756%0.56SS.*Hα-helixtrans-61.3-43171171.20000111.4I391 I392 S398I391-V395 VanDerWaalsContact O-CG2 3.3Å; I391-V395 WeakPolarHBondContact O-CG2 3.26Å; I391-V395 PolarHBondContact O-N 3.27Å; I392-V395 PolarHBondContact O-N 3.37Å; V395-S398 PolarHBondContact O-N 2.74Å
396N73.8Confident67.1Low113 Ų113110 Ų11060%0.60456%0.562SS**Hα-helixtrans-75.3-28.4-177.6-81.6-18000114.9I392 K393 S398 Q399I392-N396 PolarHBondContact O-N 3.02Å; K393-N396 PolarHBondContact O-N 3.28Å; N396-S398 PolarHBondContact O-N 2.84Å; N396-Q399 WeakPolarHBondContact O-CG 3.35Å
397K71Confident64.8Low162 Ų162114.7 Ų114.770%0.70458%0.577SS**Hα-helixtrans-66.5-24.9174-73.8175.4-174.3168.80112.3K393 D394 Q399K393-K397 WeakPolarHBondContact O-CG 3.43Å; K393-K397 PolarHBondContact O-N 3.32Å; K393-K397 VanDerWaalsContact O-N 3.11Å; D394-K397 IonicContact OD1-NZ 3.4Å; K397-Q399 PolarHBondContact O-N 3.5Å
398S57.5Low63Low50 Ų50113.7 Ų113.735%0.3557%0.572SS.*SBendtrans-84.256.1176.6-47.60000109.8D394 V395 N396 G400D394-S398 PolarHBondContact O-OG 3.07Å; D394-S398 VanDerWaalsContact O-OG 3.08Å; V395-S398 PolarHBondContact O-N 2.74Å; N396-S398 PolarHBondContact O-N 2.84Å; S398-G400 PolarHBondContact O-N 2.87Å
399Q47Very low61.7Low185 Ų185114.2 Ų114.286%0.86458%0.575SS**THydrogen-bonded Turntrans-59.8108.3176.8-73.8-169.9-8.200109.8N396 K397N396-Q399 WeakPolarHBondContact O-CG 3.35Å; K397-Q399 PolarHBondContact O-N 3.5Å
400G47.5Very low61.3Low81 Ų81110.2 Ų110.284%0.83556%0.557SS**THydrogen-bonded Turntrans100.6-10.1163.800000117.2S398S398-G400 PolarHBondContact O-N 2.87Å
401V39.9Very low61.1Low96 Ų96103.8 Ų103.858%0.58253%0.529SS*.SBendtrans-136.5117.3175.1-171.60000106.9M404V401-M404 HydrophobicContact CG1-CG 4.29Å
402W42.1Very low61.3Low210 Ų210105.3 Ų105.380%0.79554%0.538SS*.  trans-41.7143.3169-81.958.2000109.5M404W402-M404 PolarHBondContact O-N 2.79Å
403P37.8Very low61.6Low64 Ų64100.8 Ų100.842%0.41652%0.515SS..  trans-54.6110.1-173.1-20.731.2000110.1T405P403-T405 WeakPolarHBondContact CB-OG1 3.39Å; P403-T405 PolarHBondContact O-N 3.44Å
404M37.6Very low61.8Low139 Ų13996.7 Ų96.769%0.68550%0.503SS*.  trans-68.226.1163.6-86.2-84.1-174.600110.9V401 W402 E406 R407V401-M404 HydrophobicContact CG1-CG 4.29Å; W402-M404 PolarHBondContact O-N 2.79Å; M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 2.77Å; M404-R407 HydrophobicContact SD-CG 4.25Å
405T35.7Very low62.3Low118 Ų11894.7 Ų94.772%0.72449%0.493SS*.  trans-67.2102.7163.325.30000106.4P403P403-T405 WeakPolarHBondContact CB-OG1 3.39Å; P403-T405 PolarHBondContact O-N 3.44Å
406E42.8Very low63.2Low114 Ų11495 Ų9553%0.53350%0.495SS..  trans8190.2-176.9-65.8171.3-171.600114.6M404 E408 R510M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 2.77Å; E406-E408 HydrophobicContact CB-CB 3.81Å; E406-E408 HydrophobicContact CB-CG 3.67Å; E406-E408 HydrophobicContact CG-CB 4.46Å; E406-E408 HydrophobicContact CG-CG 3.76Å; E406-E408 PolarHBondContact O-N 3.4Å; E406-R510 IonicContact OE2-NH1 3.79Å; E406-R510 IonicContact OE2-NH2 2.78Å; E406-R510 PolarHBondContact OE2-NH2 2.8Å
407R44.5Very low64.2Low222 Ų22291.2 Ų91.284%0.83848%0.476SS*.  trans-60.653.7132.4-77.5-173.9178178.4-1.3109.2M404 D409M404-R407 HydrophobicContact SD-CG 4.25Å; R407-D409 PolarHBondContact O-N 3.48Å
408E52.5Low65.2Low86 Ų8684.9 Ų84.940%0.40245%0.452SS..  trans-76.8117.3161.2-85.3-173.7164.100105.1E406 D410 R510E406-E408 HydrophobicContact CB-CB 3.81Å; E406-E408 HydrophobicContact CB-CG 3.67Å; E406-E408 HydrophobicContact CG-CB 4.46Å; E406-E408 HydrophobicContact CG-CG 3.76Å; E406-E408 PolarHBondContact O-N 3.4Å; E408-D410 PolarHBondContact O-N 3.49Å; E408-R510 IonicContact OE2-CZ 2.68Å; E408-R510 IonicContact OE2-NH1 3.26Å; E408-R510 PolarHBondContact OE2-NH1 2.97Å; E408-R510 IonicContact OE2-NH2 3.73Å; E408-R510 PolarHBondContact OE2-NH2 3.04Å
409D63Low66.5Low88 Ų8888.6 Ų88.647%0.47148%0.475SS..  trans-64.366167.1-58.5-45.8000108.8R407 L411 R449R407-D409 PolarHBondContact O-N 3.48Å; D409-L411 PolarHBondContact O-N 3.35Å; D409-R449 WeakPolarHBondContact O-CD 3.49Å; D409-R449 IonicContact OD2-CZ 3.53Å; D409-R449 IonicContact OD2-NH1 3.83Å; D409-R449 IonicContact OD2-NH2 2.63Å; D409-R449 PolarHBondContact OD2-NH2 3.43Å
410D81.5Confident68.4Low10 Ų1085.8 Ų85.85%0.05347%0.466CS..SBendtrans-54.8-39.8179.1-77.1-19.7000110.2E408 N448 R449 V450 Y508 R510E408-D410 PolarHBondContact O-N 3.49Å; D410-N448 CarbonylContact O-C 3.57Å; D410-N448 WeakPolarHBondContact O-CA 3.43Å; D410-N448 WeakPolarHBondContact O-CB 3.22Å; D410-R449 PolarHBondContact O-N 3Å; D410-V450 HydrophobicContact CB-CG2 4.05Å; D410-Y508 HydrophobicContact CB-CE2 4.36Å; D410-R510 VanDerWaalsContact CG-NH1 3.26Å; D410-R510 IonicContact OD1-CZ 3.77Å; D410-R510 IonicContact OD1-NH1 3.87Å; D410-R510 PolarHBondContact OD1-NH1 3.03Å; D410-R510 WeakPolarHBondContact OD2-CD 3.44Å; D410-R510 IonicContact OD2-CZ 3.13Å; D410-R510 IonicContact OD2-NE 2.94Å; D410-R510 IonicContact OD2-NH1 2.87Å; D410-R510 PolarHBondContact OD2-NH1 2.56Å
411L88.2Confident70.3Confident3 Ų386 Ų862%0.01644%0.444CS..EExtended strand (participates in β ladder)trans-139.7122.9178.3-176.168.3000109D409 V413 L446 Q447 N448 L452 M477 V506 Y508 I523D409-L411 PolarHBondContact O-N 3.35Å; L411-V413 HydrophobicContact CD2-CG2 4.15Å; L411-V413 HydrophobicContact CG-CG2 4.16Å; L411-L446 HydrophobicContact CD1-CB 4.15Å; L411-Q447 CarbonylContact C-O 3.46Å; L411-Q447 WeakPolarHBondContact CA-O 3.16Å; L411-N448 HydrophobicContact CD1-CB 3.87Å; L411-L452 HydrophobicContact CB-CD1 3.93Å; L411-L452 HydrophobicContact CD1-CD1 4.09Å; L411-L452 HydrophobicContact CD2-CD1 4.49Å; L411-L452 HydrophobicContact CG-CD1 4.4Å; L411-M477 HydrophobicContact CD1-CE 4.21Å; L411-V506 HydrophobicContact CD2-CB 4.01Å; L411-V506 HydrophobicContact CD2-CG1 3.61Å; L411-Y508 HydrophobicContact CB-CE1 3.93Å; L411-Y508 HydrophobicContact CD2-CD1 3.6Å; L411-Y508 HydrophobicContact CD2-CE1 3.66Å; L411-Y508 HydrophobicContact CD2-CG 4.46Å; L411-Y508 HydrophobicContact CG-CE1 4.44Å; L411-I523 HydrophobicContact CD2-CG2 3.87Å; L411-I523 HydrophobicContact CG-CG2 4.46Å; L411-I523 WeakPolarHBondContact O-CD1 3.47Å
412N90.7Very high72.4Confident81 Ų8183 Ų8343%0.43342%0.424SS..EExtended strand (participates in β ladder)trans-99.9131.9168-170.75.7000109.6L446 Q447N412-L446 WeakPolarHBondContact O-CA 3.47Å; N412-Q447 HydrophobicContact CB-CB 4.42Å; N412-Q447 PolarHBondContact N-O 3.43Å; N412-Q447 PolarHBondContact O-N 2.7Å
413V92.1Very high74.4Confident9 Ų979.1 Ų79.16%0.05543%0.43CS..EExtended strand (participates in β ladder)trans-117.1112.7179.1-176.60000108.5L411 V444 L446 V506 I523 C525L411-V413 HydrophobicContact CD2-CG2 4.15Å; L411-V413 HydrophobicContact CG-CG2 4.16Å; V413-V444 HydrophobicContact CG1-CG1 3.86Å; V413-L446 HydrophobicContact CB-CD2 4.21Å; V413-L446 HydrophobicContact CG1-CD2 3.87Å; V413-L446 HydrophobicContact CG2-CD2 3.66Å; V413-V506 HydrophobicContact CG1-CG2 4.37Å; V413-V506 HydrophobicContact CG2-CB 4.43Å; V413-V506 HydrophobicContact CG2-CG2 3.81Å; V413-I523 HydrophobicContact CG2-CD1 4.4Å; V413-I523 HydrophobicContact CG2-CG2 3.53Å; V413-C525 HydrophobicContact CB-CB 4.1Å; V413-C525 HydrophobicContact CG1-CB 3.75Å; V413-C525 PolarHBondContact O-SG 3.43Å
414S93.2Very high76.6Confident46 Ų4680.9 Ų80.932%0.32244%0.439SS..EExtended strand (participates in β ladder)trans-116137.3175.358.10000110.2V444 T445S414-V444 WeakPolarHBondContact O-CA 3.35Å; S414-T445 PolarHBondContact N-O 3.48Å; S414-T445 PolarHBondContact O-N 3.4Å; S414-T445 PolarHBondContact OG-O 2.89Å
415V94.4Very high78.9Confident29 Ų2976.3 Ų76.318%0.17642%0.421CS..EExtended strand (participates in β ladder)trans-119.3130.4-179.5-171.70000109.3V442 K443 V444 A504 C525 F527V415-V442 HydrophobicContact CG1-CG1 3.34Å; V415-K443 CarbonylContact C-O 3.57Å; V415-K443 WeakPolarHBondContact CA-O 3.36Å; V415-V444 HydrophobicContact CB-CG2 4.48Å; V415-V444 HydrophobicContact CG1-CG2 4Å; V415-V444 HydrophobicContact CG2-CG1 4.27Å; V415-V444 HydrophobicContact CG2-CG2 3.94Å; V415-A504 HydrophobicContact CG2-CB 4.11Å; V415-C525 HydrophobicContact CG2-CB 4.15Å; V415-F527 HydrophobicContact CB-CB 3.95Å; V415-F527 HydrophobicContact CB-CD1 4.22Å; V415-F527 HydrophobicContact CB-CG 4.34Å; V415-F527 HydrophobicContact CG1-CB 3.63Å; V415-F527 HydrophobicContact CG1-CD1 3.66Å; V415-F527 HydrophobicContact CG1-CD2 4.36Å; V415-F527 HydrophobicContact CG1-CE1 4.38Å; V415-F527 HydrophobicContact CG1-CG 3.63Å; V415-F527 HydrophobicContact CG2-CD1 4.14Å
416V94.9Very high81.3Confident88 Ų8875.1 Ų75.153%0.53341%0.407SS..EExtended strand (participates in β ladder)trans-121.2114.9177.1-178.50000108.4K443V416-K443 PolarHBondContact N-O 3Å; V416-K443 PolarHBondContact O-N 2.98Å
417V94.7Very high83.2Confident35 Ų3570.9 Ų70.921%0.21239%0.391CS..EExtended strand (participates in β ladder)trans-87.7127.5174-177.20000108.5V440 V442 F527 L529V417-V440 HydrophobicContact CG1-CG2 3.88Å; V417-V442 HydrophobicContact CG1-CG2 4.22Å; V417-V442 HydrophobicContact CG2-CG1 4.24Å; V417-V442 HydrophobicContact CG2-CG2 4.11Å; V417-F527 HydrophobicContact CG2-CB 4.12Å; V417-F527 HydrophobicContact CG2-CD2 3.92Å; V417-F527 HydrophobicContact CG2-CG 4.41Å; V417-L529 HydrophobicContact CG1-CD2 4.47Å
418S92.1Very high84.9Confident29 Ų2964.1 Ų64.120%0.20338%0.375CS..  trans-64.3134.1-179.2-59.20000110.5N420 V440 T441S418-N420 PolarHBondContact O-N 2.95Å; S418-V440 WeakPolarHBondContact O-CG2 3.4Å; S418-T441 WeakPolarHBondContact CB-O 3.31Å; S418-T441 PolarHBondContact N-O 3.34Å; S418-T441 PolarHBondContact OG-O 2.81Å
419P85.2Confident85.9Confident128 Ų12866.5 Ų66.583%0.83139%0.39SS*.SBendtrans-72.1-19.1179.927.7-34.6000113.2
420N86.2Confident86.5Confident126 Ų12664.5 Ų64.567%0.67438%0.381SS*.SBendtrans-108.9149.8178.2-62.3-34.7000109.9S418S418-N420 PolarHBondContact O-N 2.95Å
421F86.8Confident86.1Confident86 Ų8670 Ų7038%0.37741%0.407SS..  trans-69.4158.6169.5-60.7-52.3000111.7P438 S439 V440 K532 L533F421-P438 HydrophobicContact CD1-CB 4.11Å; F421-P438 HydrophobicContact CD2-CB 4.31Å; F421-P438 HydrophobicContact CE1-CB 4.25Å; F421-P438 HydrophobicContact CE2-CB 4.43Å; F421-P438 HydrophobicContact CG-CB 4.14Å; F421-P438 HydrophobicContact CZ-CB 4.39Å; F421-S439 WeakPolarHBondContact CA-O 3.39Å; F421-V440 HydrophobicContact CD1-CB 4.35Å; F421-K532 HydrophobicContact CE1-CB 4.5Å; F421-K532 HydrophobicContact CE2-CB 4.13Å; F421-K532 HydrophobicContact CZ-CB 3.5Å; F421-K532 WeakPolarHBondContact CZ-O 3.35Å; F421-L533 HydrophobicContact CE1-CB 4.4Å; F421-L533 HydrophobicContact CE1-CD1 4.16Å
422D85.5Confident85Confident31 Ų3170.4 Ų70.417%0.16641%0.409CS..  trans-64.1134.9176.1-55.9-27.8000109.3V424 S439 T441 S488D422-V424 WeakPolarHBondContact CB-O 3.19Å; D422-V424 PolarHBondContact O-N 3.43Å; D422-S439 WeakPolarHBondContact CB-OG 3.46Å; D422-S439 PolarHBondContact N-O 2.87Å; D422-S439 WeakPolarHBondContact OD2-CB 3.46Å; D422-S439 PolarHBondContact OD2-OG 3.22Å; D422-T441 VanDerWaalsContact CG-OG1 3.32Å; D422-T441 WeakPolarHBondContact OD1-CB 3.23Å; D422-T441 PolarHBondContact OD1-N 3Å; D422-T441 PolarHBondContact OD1-OG1 3.44Å; D422-S488 WeakPolarHBondContact OD2-CB 3.48Å; D422-S488 PolarHBondContact OD2-OG 2.81Å
423S83.3Confident83.6Confident130 Ų13070.7 Ų70.791%0.90943%0.431SS*.SBendtrans-61.7-26.8-179.252.80000112.9
424V83.5Confident82.3Confident100 Ų10073 Ų7361%0.60645%0.445SS*.SBendtrans-126119.6170.6-179.90000106.2D422 Q426D422-V424 WeakPolarHBondContact CB-O 3.19Å; D422-V424 PolarHBondContact O-N 3.43Å; V424-Q426 PolarHBondContact O-N 2.85Å; V424-Q426 PolarHBondContact O-NE2 2.93Å
425S86Confident80.5Confident43 Ų4378.9 Ų78.930%0.30147%0.473SS..  trans-58.6134.8178.7-178.20000110.6A427 V437S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 WeakPolarHBondContact OG-CB 3.22Å; S425-A427 PolarHBondContact OG-N 3.38Å; S425-V437 VanDerWaalsContact CB-O 3.23Å; S425-V437 WeakPolarHBondContact CB-O 3.13Å; S425-V437 PolarHBondContact OG-O 3.19Å
426Q86Confident79.5Confident93 Ų9384.6 Ų84.644%0.43550%0.502SS..  trans-93.89.9175.3-56.4-59.2-60.600112.4V424 S439 T468V424-Q426 PolarHBondContact O-N 2.85Å; V424-Q426 PolarHBondContact O-NE2 2.93Å; Q426-S439 PolarHBondContact N-OG 3.32Å; Q426-T468 HydrophobicContact CB-CG2 3.71Å
427A83.5Confident79Confident25 Ų2580.9 Ų80.921%0.20748%0.48CS..  trans-72.1131.5-178.400000111.6S425 V430 V437 Y490S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 WeakPolarHBondContact OG-CB 3.22Å; S425-A427 PolarHBondContact OG-N 3.38Å; A427-V430 HydrophobicContact CB-CG2 3.64Å; A427-V437 HydrophobicContact CB-CB 4.27Å; A427-V437 HydrophobicContact CB-CG1 4.26Å; A427-Y490 HydrophobicContact CB-CD1 4.24Å; A427-Y490 HydrophobicContact CB-CD2 3.42Å; A427-Y490 VanDerWaalsContact CB-CD2 3.42Å; A427-Y490 HydrophobicContact CB-CE2 3.89Å; A427-Y490 HydrophobicContact CB-CG 3.61Å
428T80Confident78.6Confident80 Ų8080.6 Ų80.649%0.49148%0.478SS..  trans-124.4146.4179.850.10000110.6V430 Y490T428-V430 PolarHBondContact O-N 3.34Å; T428-Y490 PolarHBondContact OG1-OH 2.96Å
429D73.9Confident78.6Confident136 Ų13679.2 Ų79.273%0.72747%0.469SS*.SBendtrans50.549.4176.4-57-33000114.3K492D429-K492 WeakPolarHBondContact O-CE 3.38Å
430V75Confident79Confident47 Ų4773.1 Ų73.129%0.28543%0.429SS..  trans-86.6128.3-174.2-174.20000111.1A427 T428 V432 V437 Y490A427-V430 HydrophobicContact CB-CG2 3.64Å; T428-V430 PolarHBondContact O-N 3.34Å; V430-V432 VanDerWaalsContact C-N 3.34Å; V430-V432 HydrophobicContact CG1-CB 3.67Å; V430-V432 HydrophobicContact CG1-CG2 3.66Å; V430-V437 HydrophobicContact CB-CG2 4.38Å; V430-V437 HydrophobicContact CG1-CB 4.22Å; V430-V437 HydrophobicContact CG1-CG2 3.41Å; V430-V437 VanDerWaalsContact CG1-CG2 3.41Å; V430-Y490 HydrophobicContact CG2-CE2 4.48Å
431E72.7Confident79.4Confident126 Ų12668.6 Ų68.659%0.58941%0.406SS*.  trans-87.8-4.7176.9-66.6174.4-177.600112.9G433 K492E431-G433 PolarHBondContact O-N 2.95Å; E431-K492 PolarHBondContact N-O 3.47Å
432V66.2Low79.8Confident11 Ų1164.5 Ų64.57%0.06739%0.388CS..SBendtrans-73.3119.6-179.7-172.40000108.6V430 T434 V437 L491 L583V430-V432 VanDerWaalsContact C-N 3.34Å; V430-V432 HydrophobicContact CG1-CB 3.67Å; V430-V432 HydrophobicContact CG1-CG2 3.66Å; V432-T434 WeakPolarHBondContact CG1-OG1 3.4Å; V432-T434 PolarHBondContact O-N 2.87Å; V432-V437 HydrophobicContact CB-CG2 3.94Å; V432-V437 HydrophobicContact CG1-CG2 4.35Å; V432-V437 HydrophobicContact CG2-CG2 4.35Å; V432-L491 HydrophobicContact CG2-CD2 4.38Å; V432-L583 HydrophobicContact CG1-CB 4.18Å; V432-L583 HydrophobicContact CG1-CD2 4.3Å; V432-L583 WeakPolarHBondContact CG1-O 2.96Å
433G61.1Low80.3Confident86 Ų8667.6 Ų67.689%0.88740%0.4SS*.SBendtrans-67.525.6-174.900000116.5E431E431-G433 PolarHBondContact O-N 2.95Å
434T63.5Low80.9Confident57 Ų5761.4 Ų61.435%0.3536%0.357SS..SBendtrans-116.8128.9177.356.40000109.3V432 L436 L583V432-T434 WeakPolarHBondContact CG1-OG1 3.4Å; V432-T434 PolarHBondContact O-N 2.87Å; T434-L436 PolarHBondContact O-N 3.13Å; T434-L583 HydrophobicContact CG2-CD2 4.48Å
435D56.9Low81.4Confident171 Ų17157.8 Ų57.891%0.91434%0.335SS*.SBendtrans-61.7-9.7-171.9-67.6-28.6000115.6
436L72.7Confident81.8Confident149 Ų14955.8 Ų55.878%0.7832%0.321SS*.  trans-141.493.2-178.3-79.7137000111.4T434T434-L436 PolarHBondContact O-N 3.13Å
437V83.4Confident82.1Confident10 Ų1055.6 Ų55.66%0.06132%0.32CS..  trans-82.3125.1168174.50000109.6S425 A427 V430 V432 L491S425-V437 VanDerWaalsContact CB-O 3.23Å; S425-V437 WeakPolarHBondContact CB-O 3.13Å; S425-V437 PolarHBondContact OG-O 3.19Å; A427-V437 HydrophobicContact CB-CB 4.27Å; A427-V437 HydrophobicContact CB-CG1 4.26Å; V430-V437 HydrophobicContact CB-CG2 4.38Å; V430-V437 HydrophobicContact CG1-CB 4.22Å; V430-V437 HydrophobicContact CG1-CG2 3.41Å; V430-V437 VanDerWaalsContact CG1-CG2 3.41Å; V432-V437 HydrophobicContact CB-CG2 3.94Å; V432-V437 HydrophobicContact CG1-CG2 4.35Å; V432-V437 HydrophobicContact CG2-CG2 4.35Å; V437-L491 HydrophobicContact CG1-CB 4.31Å; V437-L491 WeakPolarHBondContact CG1-O 3.47Å
438P87.9Confident82.4Confident28 Ų2854.5 Ų54.518%0.18231%0.311CS..  trans-73.3148.6179.330.7-34.4000111.5F421 L533 L583F421-P438 HydrophobicContact CD1-CB 4.11Å; F421-P438 HydrophobicContact CD2-CB 4.31Å; F421-P438 HydrophobicContact CE1-CB 4.25Å; F421-P438 HydrophobicContact CE2-CB 4.43Å; F421-P438 HydrophobicContact CG-CB 4.14Å; F421-P438 HydrophobicContact CZ-CB 4.39Å; P438-L533 WeakPolarHBondContact CG-O 3.16Å; P438-L533 WeakPolarHBondContact O-CD1 3.5Å; P438-L583 HydrophobicContact CG-CD1 4.3Å
439S91.9Very high82.7Confident1 Ų157.7 Ų57.71%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-121.4149.5169.666.50000111F421 D422 Q426 V489F421-S439 WeakPolarHBondContact CA-O 3.39Å; D422-S439 WeakPolarHBondContact CB-OG 3.46Å; D422-S439 PolarHBondContact N-O 2.87Å; D422-S439 WeakPolarHBondContact OD2-CB 3.46Å; D422-S439 PolarHBondContact OD2-OG 3.22Å; Q426-S439 PolarHBondContact N-OG 3.32Å; S439-V489 WeakPolarHBondContact CA-O 3.19Å
440V93.5Very high83.3Confident0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-121.8122.8176.464.30000110.9V417 S418 F421 V442 S488 V489 L529 P530 L533V417-V440 HydrophobicContact CG1-CG2 3.88Å; S418-V440 WeakPolarHBondContact O-CG2 3.4Å; F421-V440 HydrophobicContact CD1-CB 4.35Å; V440-V442 PolarHBondContact O-N 3.5Å; V440-S488 WeakPolarHBondContact O-CA 3.46Å; V440-V489 HydrophobicContact CG1-CB 4.24Å; V440-V489 PolarHBondContact N-O 3.39Å; V440-V489 PolarHBondContact O-N 2.97Å; V440-L529 HydrophobicContact CG1-CD2 4.05Å; V440-P530 HydrophobicContact CG2-CG 4.35Å; V440-L533 HydrophobicContact CB-CD1 4.14Å; V440-L533 HydrophobicContact CG1-CD1 3.82Å; V440-L533 HydrophobicContact CG1-CD2 3.85Å; V440-L533 HydrophobicContact CG1-CG 4.4Å
441T94.8Very high83.9Confident30 Ų3054.5 Ų54.518%0.18430%0.296CS..EExtended strand (participates in β ladder)trans-71125.6172.6-63.30000111.4S418 D422 K443 F487 S488S418-T441 WeakPolarHBondContact CB-O 3.31Å; S418-T441 PolarHBondContact N-O 3.34Å; S418-T441 PolarHBondContact OG-O 2.81Å; D422-T441 VanDerWaalsContact CG-OG1 3.32Å; D422-T441 WeakPolarHBondContact OD1-CB 3.23Å; D422-T441 PolarHBondContact OD1-N 3Å; D422-T441 PolarHBondContact OD1-OG1 3.44Å; T441-K443 HydrophobicContact CG2-CG 4.26Å; T441-F487 WeakPolarHBondContact CA-O 3.41Å; T441-S488 PolarHBondContact OG1-OG 3.09Å
442V95.3Very high84.6Confident0 Ų048.5 Ų48.50%027%0.268CS..EExtended strand (participates in β ladder)trans-108.6132.8170.4-178.70000109V415 V417 V440 S486 F487 V489 F527 L529V415-V442 HydrophobicContact CG1-CG1 3.34Å; V417-V442 HydrophobicContact CG1-CG2 4.22Å; V417-V442 HydrophobicContact CG2-CG1 4.24Å; V417-V442 HydrophobicContact CG2-CG2 4.11Å; V440-V442 PolarHBondContact O-N 3.5Å; V442-S486 WeakPolarHBondContact O-CA 3.42Å; V442-F487 HydrophobicContact CB-CD2 4.09Å; V442-F487 HydrophobicContact CB-CE1 4.46Å; V442-F487 HydrophobicContact CB-CE2 3.52Å; V442-F487 HydrophobicContact CB-CZ 3.73Å; V442-F487 HydrophobicContact CG1-CE1 4.35Å; V442-F487 HydrophobicContact CG1-CE2 3.85Å; V442-F487 HydrophobicContact CG1-CZ 3.57Å; V442-F487 HydrophobicContact CG2-CE2 4.08Å; V442-F487 PolarHBondContact N-O 2.8Å; V442-F487 PolarHBondContact O-N 2.83Å; V442-F487 VanDerWaalsContact O-N 3.1Å; V442-V489 HydrophobicContact CG2-CG2 3.83Å; V442-F527 HydrophobicContact CG1-CD2 4.18Å; V442-F527 HydrophobicContact CG1-CE2 4.1Å; V442-F527 HydrophobicContact CG1-CZ 4.38Å; V442-F527 HydrophobicContact CG2-CD2 4.48Å; V442-F527 HydrophobicContact CG2-CE2 4.16Å; V442-L529 HydrophobicContact CG2-CD2 4.07Å
443K95.6Very high85.7Confident96 Ų9650.3 Ų50.342%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-111.4123.7177.9-57.5-166.8176.1175.80110.2V415 V416 T441 T484 V485 S486V415-K443 CarbonylContact C-O 3.57Å; V415-K443 WeakPolarHBondContact CA-O 3.36Å; V416-K443 PolarHBondContact N-O 3Å; V416-K443 PolarHBondContact O-N 2.98Å; T441-K443 HydrophobicContact CG2-CG 4.26Å; K443-T484 HydrophobicContact CB-CG2 4.35Å; K443-V485 WeakPolarHBondContact CA-O 3.28Å; K443-S486 WeakPolarHBondContact CG-OG 3.3Å
444V95.4Very high87.2Confident0 Ų051.5 Ų51.50%026%0.256CS..EExtended strand (participates in β ladder)trans-108.2123.4175.4-179.30000108.4V413 S414 V415 L446 L457 T484 V485 F487 A504V413-V444 HydrophobicContact CG1-CG1 3.86Å; S414-V444 WeakPolarHBondContact O-CA 3.35Å; V415-V444 HydrophobicContact CB-CG2 4.48Å; V415-V444 HydrophobicContact CG1-CG2 4Å; V415-V444 HydrophobicContact CG2-CG1 4.27Å; V415-V444 HydrophobicContact CG2-CG2 3.94Å; V444-L446 HydrophobicContact CG1-CD2 4.02Å; V444-L457 HydrophobicContact CB-CD2 4.02Å; V444-L457 HydrophobicContact CG1-CD1 4.22Å; V444-L457 HydrophobicContact CG1-CD2 3.78Å; V444-T484 CarbonylContact O-C 3.38Å; V444-T484 VanDerWaalsContact O-CA 3.3Å; V444-T484 WeakPolarHBondContact O-CA 3.47Å; V444-V485 HydrophobicContact CB-CG2 3.85Å; V444-V485 PolarHBondContact N-O 2.85Å; V444-V485 PolarHBondContact O-N 2.98Å; V444-F487 HydrophobicContact CG2-CE1 3.52Å; V444-F487 HydrophobicContact CG2-CZ 3.91Å; V444-A504 HydrophobicContact CG1-CB 4.47Å; V444-A504 HydrophobicContact CG2-CB 4.29Å
445T94.9Very high88.5Confident24 Ų2448.8 Ų48.815%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-111.4120.4179.3-560000109.6S414 Q447 T482 R483 T484S414-T445 PolarHBondContact N-O 3.48Å; S414-T445 PolarHBondContact O-N 3.4Å; S414-T445 PolarHBondContact OG-O 2.89Å; T445-Q447 HydrophobicContact CG2-CG 4.2Å; T445-T482 HydrophobicContact CG2-CG2 3.41Å; T445-T482 VanDerWaalsContact CG2-CG2 3.41Å; T445-R483 WeakPolarHBondContact CA-O 3.21Å; T445-T484 PolarHBondContact OG1-OG1 2.84Å
446L92.9Very high90.4Very high1 Ų144.2 Ų44.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-103.4123.5178-55.7-176.1000108.6L411 N412 V413 V444 L457 F474 T482 R483 V506L411-L446 HydrophobicContact CD1-CB 4.15Å; N412-L446 WeakPolarHBondContact O-CA 3.47Å; V413-L446 HydrophobicContact CB-CD2 4.21Å; V413-L446 HydrophobicContact CG1-CD2 3.87Å; V413-L446 HydrophobicContact CG2-CD2 3.66Å; V444-L446 HydrophobicContact CG1-CD2 4.02Å; L446-L457 HydrophobicContact CD1-CB 4.44Å; L446-L457 HydrophobicContact CD1-CD2 4.4Å; L446-F474 HydrophobicContact CD1-CD2 4.01Å; L446-F474 HydrophobicContact CD1-CE2 3.44Å; L446-F474 VanDerWaalsContact CD1-CE2 3.44Å; L446-F474 HydrophobicContact CD1-CZ 4.14Å; L446-T482 CarbonylContact O-C 3.55Å; L446-T482 WeakPolarHBondContact O-CA 3.12Å; L446-R483 HydrophobicContact CB-CB 4.37Å; L446-R483 PolarHBondContact N-O 2.81Å; L446-R483 PolarHBondContact O-N 3.3Å; L446-V506 HydrophobicContact CD2-CG2 3.67Å
447Q92Very high91.4Very high89 Ų8937.1 Ų37.142%0.41617%0.174SC..EExtended strand (participates in β ladder)trans-125.9112.5178-67.1-176.8-20.900109.5L411 N412 T445 T482L411-Q447 CarbonylContact C-O 3.46Å; L411-Q447 WeakPolarHBondContact CA-O 3.16Å; N412-Q447 HydrophobicContact CB-CB 4.42Å; N412-Q447 PolarHBondContact N-O 3.43Å; N412-Q447 PolarHBondContact O-N 2.7Å; T445-Q447 HydrophobicContact CG2-CG 4.2Å; Q447-T482 HydrophobicContact CG-CG2 3.92Å
448N90.6Very high92.1Very high3 Ų337.1 Ų37.12%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-106.2142.1-179.364.7-62.4000112.2D410 L411 V450 L452 M477 T478 D480 L481D410-N448 CarbonylContact O-C 3.57Å; D410-N448 WeakPolarHBondContact O-CA 3.43Å; D410-N448 WeakPolarHBondContact O-CB 3.22Å; L411-N448 HydrophobicContact CD1-CB 3.87Å; N448-V450 PolarHBondContact ND2-O 3.02Å; N448-L452 HydrophobicContact CB-CD1 3.62Å; N448-L452 HydrophobicContact CB-CG 4.16Å; N448-M477 PolarHBondContact ND2-O 2.93Å; N448-T478 PolarHBondContact ND2-O 3.1Å; N448-T478 PolarHBondContact OD1-O 3.02Å; N448-D480 VanDerWaalsContact O-CA 3.24Å; N448-D480 WeakPolarHBondContact O-CA 3.39Å; N448-D480 PolarHBondContact O-N 2.87Å; N448-L481 PolarHBondContact N-O 3.25Å; N448-L481 PolarHBondContact OD1-O 2.89Å
449R86.9Confident92.4Very high146 Ų14636 Ų3655%0.55117%0.167SC*.SBendtrans-95.1-24.1176-66.4-174.1-177.2161.513.2113.2D409 D410D409-R449 WeakPolarHBondContact O-CD 3.49Å; D409-R449 IonicContact OD2-CZ 3.53Å; D409-R449 IonicContact OD2-NH1 3.83Å; D409-R449 IonicContact OD2-NH2 2.63Å; D409-R449 PolarHBondContact OD2-NH2 3.43Å; D410-R449 PolarHBondContact O-N 3Å
450V86.7Confident92.5Very high38 Ų3842.2 Ų42.223%0.2319%0.191CC..SBendtrans-118.5166.2-177.3-64.40000110.7D410 N448 L452D410-V450 HydrophobicContact CB-CG2 4.05Å; N448-V450 PolarHBondContact ND2-O 3.02Å; V450-L452 HydrophobicContact CG2-CD2 3.66Å; V450-L452 HydrophobicContact CG2-CG 4.18Å; V450-L452 PolarHBondContact O-N 2.89Å
451I85.9Confident92.4Very high79 Ų7943.2 Ų43.241%0.40520%0.197SC..  trans-63.4123170.7-65.5164.4000108.3F476 M477 P479 P511I451-F476 HydrophobicContact CG1-CZ 4.47Å; I451-F476 HydrophobicContact CG2-CD2 4.4Å; I451-F476 HydrophobicContact CG2-CE1 4.18Å; I451-F476 HydrophobicContact CG2-CE2 3.46Å; I451-F476 VanDerWaalsContact CG2-CE2 3.46Å; I451-F476 HydrophobicContact CG2-CZ 3.33Å; I451-M477 WeakPolarHBondContact CA-O 3.44Å; I451-P479 HydrophobicContact CG1-CG 3.7Å; I451-P511 WeakPolarHBondContact O-CD 3.43Å
452L88.9Confident92.2Very high0 Ų043.6 Ų43.60%020%0.197CC..EExtended strand (participates in β ladder)trans-119.4140.2175.1-62-177.6000110L411 N448 V450 M477 Y508 R510L411-L452 HydrophobicContact CB-CD1 3.93Å; L411-L452 HydrophobicContact CD1-CD1 4.09Å; L411-L452 HydrophobicContact CD2-CD1 4.49Å; L411-L452 HydrophobicContact CG-CD1 4.4Å; N448-L452 HydrophobicContact CB-CD1 3.62Å; N448-L452 HydrophobicContact CB-CG 4.16Å; V450-L452 HydrophobicContact CG2-CD2 3.66Å; V450-L452 HydrophobicContact CG2-CG 4.18Å; V450-L452 PolarHBondContact O-N 2.89Å; L452-M477 HydrophobicContact CB-CB 4.41Å; L452-M477 HydrophobicContact CB-CE 3.77Å; L452-M477 HydrophobicContact CD1-CE 3.77Å; L452-M477 HydrophobicContact CG-CE 4.37Å; L452-M477 PolarHBondContact N-O 2.71Å; L452-M477 PolarHBondContact O-N 3.32Å; L452-Y508 HydrophobicContact CD1-CD2 3.9Å; L452-Y508 HydrophobicContact CD1-CE2 4.16Å; L452-Y508 HydrophobicContact CD1-CG 4.15Å; L452-Y508 HydrophobicContact CD2-CD2 3.55Å; L452-Y508 HydrophobicContact CD2-CE2 3.81Å; L452-Y508 HydrophobicContact CD2-CG 4.48Å; L452-Y508 HydrophobicContact CG-CD2 4.24Å; L452-R510 HydrophobicContact CD2-CB 4.4Å
453Q89.7Confident91.8Very high49 Ų4945.6 Ų45.623%0.22921%0.21CC..EExtended strand (participates in β ladder)trans-117.6153178.3-62.6-177.3-8.400110.4A455 E475 F476 S509 P511Q453-A455 PolarHBondContact O-N 3.42Å; Q453-E475 CarbonylContact C-O 3.54Å; Q453-E475 WeakPolarHBondContact CA-O 3.44Å; Q453-F476 HydrophobicContact CG-CD2 3.88Å; Q453-F476 HydrophobicContact CG-CE2 4.06Å; Q453-S509 PolarHBondContact N-O 2.76Å; Q453-S509 PolarHBondContact O-N 2.8Å; Q453-P511 HydrophobicContact CG-CG 3.78Å
454K90.9Very high91.4Very high111 Ų11141.3 Ų41.348%0.48319%0.192SC..EExtended strand (participates in β ladder)trans51.242.3173.7-58.3174.6-178.7167.50112.5K456 E475K454-K456 PolarHBondContact O-N 3.34Å; K454-E475 PolarHBondContact N-O 2.86Å
455A92.1Very high91.3Very high0 Ų041.9 Ų41.90%020%0.195CC..EExtended strand (participates in β ladder)trans-76.9117.3178.900000109.7Q453 F474 M477 S507Q453-A455 PolarHBondContact O-N 3.42Å; A455-F474 HydrophobicContact CB-CB 4.29Å; A455-F474 HydrophobicContact CB-CD2 4.42Å; A455-F474 PolarHBondContact N-O 3.42Å; A455-F474 WeakPolarHBondContact O-CD2 3.29Å; A455-F474 PolarHBondContact O-N 2.59Å; A455-M477 HydrophobicContact CB-CE 3.32Å; A455-M477 HydrophobicContact CB-SD 4.06Å; A455-S507 CarbonylContact C-O 3.56Å; A455-S507 VanDerWaalsContact CA-O 3.28Å; A455-S507 WeakPolarHBondContact CA-O 3.47Å
456K95.2Very high91.1Very high74 Ų7443.6 Ų43.632%0.32220%0.201SC..EExtended strand (participates in β ladder)trans-117.6113.3179.6-178.4-179.2-179.5176.50109.1K454 F472 V506 S507K454-K456 PolarHBondContact O-N 3.34Å; K456-F472 WeakPolarHBondContact CA-O 3.29Å; K456-V506 CarbonylContact O-C 3.59Å; K456-V506 VanDerWaalsContact O-CA 3.31Å; K456-V506 WeakPolarHBondContact O-CA 3.16Å; K456-S507 PolarHBondContact N-O 3.39Å; K456-S507 PolarHBondContact O-N 3.01Å; K456-S507 PolarHBondContact O-OG 2.77Å
457L95.8Very high91.2Very high0 Ų044.7 Ų44.70%021%0.207CC..EExtended strand (participates in β ladder)trans-89.9122.4170.2166.863.1000108.5V444 L446 V459 Q471 F472 F474 V485 A504 V505 V506V444-L457 HydrophobicContact CB-CD2 4.02Å; V444-L457 HydrophobicContact CG1-CD1 4.22Å; V444-L457 HydrophobicContact CG1-CD2 3.78Å; L446-L457 HydrophobicContact CD1-CB 4.44Å; L446-L457 HydrophobicContact CD1-CD2 4.4Å; L457-V459 HydrophobicContact CD1-CG2 4.13Å; L457-V459 HydrophobicContact CG-CG2 4.3Å; L457-Q471 CarbonylContact O-C 3.58Å; L457-Q471 WeakPolarHBondContact O-CA 3.42Å; L457-F472 HydrophobicContact CB-CB 4.28Å; L457-F472 HydrophobicContact CD2-CD2 3.99Å; L457-F472 HydrophobicContact CG-CD2 4.17Å; L457-F472 PolarHBondContact N-O 3.23Å; L457-F472 PolarHBondContact O-N 2.98Å; L457-F474 HydrophobicContact CB-CE2 4.34Å; L457-V485 HydrophobicContact CD2-CG2 3.34Å; L457-A504 HydrophobicContact CD1-CB 3.89Å; L457-V505 CarbonylContact C-O 3.59Å; L457-V505 WeakPolarHBondContact CA-O 3.31Å; L457-V506 HydrophobicContact CB-CG2 4.07Å; L457-V506 HydrophobicContact CD1-CG2 3.58Å; L457-V506 HydrophobicContact CG-CG2 4.36Å
458S96.2Very high91.2Very high10 Ų1043.7 Ų43.77%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-120.9131.8173.8-49.60000108.7Y460 D470 V505S458-Y460 WeakPolarHBondContact CB-OH 3.34Å; S458-D470 CarbonylContact C-O 3.46Å; S458-D470 WeakPolarHBondContact CA-O 3.4Å; S458-V505 PolarHBondContact N-O 2.8Å; S458-V505 PolarHBondContact O-N 2.86Å
459V95.4Very high91.3Very high4 Ų445.7 Ų45.72%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-113.5132-176.8-177.60000108.7L457 L467 D470 F487 N503 A504 F527L457-V459 HydrophobicContact CD1-CG2 4.13Å; L457-V459 HydrophobicContact CG-CG2 4.3Å; V459-L467 HydrophobicContact CB-CD1 3.77Å; V459-L467 HydrophobicContact CG1-CD1 3.67Å; V459-L467 HydrophobicContact CG1-CD2 4.32Å; V459-L467 WeakPolarHBondContact O-CD1 3.35Å; V459-D470 PolarHBondContact N-O 3.13Å; V459-F487 HydrophobicContact CB-CE1 4.38Å; V459-F487 HydrophobicContact CB-CZ 4.16Å; V459-F487 HydrophobicContact CG1-CE1 4.21Å; V459-F487 HydrophobicContact CG1-CE2 3.69Å; V459-F487 HydrophobicContact CG1-CZ 3.5Å; V459-F487 HydrophobicContact CG2-CD1 4.28Å; V459-F487 HydrophobicContact CG2-CE1 3.59Å; V459-F487 HydrophobicContact CG2-CZ 3.75Å; V459-N503 WeakPolarHBondContact CA-O 3.39Å; V459-A504 HydrophobicContact CG2-CB 4.43Å; V459-F527 HydrophobicContact CG1-CE1 4.03Å; V459-F527 HydrophobicContact CG1-CZ 3.79Å
460Y93.3Very high91.5Very high133 Ų13342.6 Ų42.652%0.52222%0.215SC..EExtended strand (participates in β ladder)trans-122135.5-179.6-54.2-84.8000109.4S458 G502 N503 V505S458-Y460 WeakPolarHBondContact CB-OH 3.34Å; Y460-G502 CarbonylContact O-C 3.57Å; Y460-G502 WeakPolarHBondContact O-CA 3.32Å; Y460-N503 PolarHBondContact N-O 3.33Å; Y460-N503 PolarHBondContact O-N 3.2Å; Y460-V505 HydrophobicContact CD2-CG2 3.96Å; Y460-V505 HydrophobicContact CE2-CB 4.06Å; Y460-V505 HydrophobicContact CE2-CG2 3.84Å
461V92.7Very high91.9Very high20 Ų2044.8 Ų44.812%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-129.5157.7171.6-69.90000108.6L465 L467 V489 F527 L529V461-L465 HydrophobicContact CB-CB 4.06Å; V461-L465 HydrophobicContact CB-CD1 4.46Å; V461-L465 HydrophobicContact CG2-CB 3.78Å; V461-L467 HydrophobicContact CB-CD2 4.46Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å; V461-L467 HydrophobicContact CG1-CG 4.45Å; V461-L467 HydrophobicContact CG2-CD1 4.3Å; V461-L467 HydrophobicContact CG2-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CG 3.79Å; V461-V489 HydrophobicContact CG1-CG1 4.15Å; V461-V489 HydrophobicContact CG2-CG1 4.5Å; V461-F527 HydrophobicContact CG1-CZ 4.41Å; V461-L529 HydrophobicContact CG1-CD1 4.33Å
462Q89Confident92.4Very high39 Ų3942.7 Ų42.718%0.18221%0.211CC..  trans-74131.4179.1-65.8-57.9-50.900110.9L465 P497 E499Q462-L465 WeakPolarHBondContact O-CB 3.43Å; Q462-L465 PolarHBondContact O-N 3.12Å; Q462-P497 HydrophobicContact CB-CB 4.44Å; Q462-E499 HydrophobicContact CG-CB 4.19Å
463P87.1Confident92.6Very high41 Ų4146.7 Ų46.727%0.26624%0.236SC..THydrogen-bonded Turntrans-53140.3168.8-24.733.9000110.8P497 F721P463-P497 WeakPolarHBondContact O-CA 3.47Å; P463-F721 HydrophobicContact CB-CE1 3.6Å; P463-F721 HydrophobicContact CB-CZ 3.54Å; P463-F721 HydrophobicContact CG-CE1 4.09Å; P463-F721 HydrophobicContact CG-CE2 4.47Å; P463-F721 HydrophobicContact CG-CZ 3.5Å; P463-F721 VanDerWaalsContact CG-CZ 3.5Å
464P88.6Confident92.8Very high7 Ų746 Ų465%0.04523%0.232CC..THydrogen-bonded Turncis-95.925.97.633.3-25.7000114.8L491 K492 R493 Y495P464-L491 HydrophobicContact CB-CD1 4.5Å; P464-L491 HydrophobicContact CG-CD1 3.76Å; P464-K492 PolarHBondContact O-N 2.94Å; P464-R493 HydrophobicContact CB-CB 3.63Å; P464-R493 HydrophobicContact CB-CG 4.13Å; P464-R493 HydrophobicContact CG-CB 4.39Å; P464-Y495 HydrophobicContact CB-CD1 4.45Å; P464-Y495 HydrophobicContact CB-CD2 4.26Å; P464-Y495 HydrophobicContact CB-CE1 3.94Å; P464-Y495 HydrophobicContact CB-CE2 3.73Å; P464-Y495 HydrophobicContact CG-CD1 4.26Å; P464-Y495 HydrophobicContact CG-CD2 3.59Å; P464-Y495 HydrophobicContact CG-CE1 4.2Å; P464-Y495 HydrophobicContact CG-CE2 3.52Å; P464-Y495 HydrophobicContact CG-CG 3.97Å; P464-Y495 WeakPolarHBondContact CG-O 3.49Å
465L92.1Very high92.7Very high11 Ų1146.8 Ų46.86%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-69.7142.9168.4-61.4166.7000109.6V461 Q462 V489 Y490 L491 P497 L500 L529 L533 I534V461-L465 HydrophobicContact CB-CB 4.06Å; V461-L465 HydrophobicContact CB-CD1 4.46Å; V461-L465 HydrophobicContact CG2-CB 3.78Å; Q462-L465 WeakPolarHBondContact O-CB 3.43Å; Q462-L465 PolarHBondContact O-N 3.12Å; L465-V489 HydrophobicContact CB-CG1 4.15Å; L465-V489 HydrophobicContact CD2-CG1 4.42Å; L465-Y490 WeakPolarHBondContact CA-O 3.34Å; L465-L491 HydrophobicContact CD2-CD1 4.22Å; L465-P497 HydrophobicContact CD1-CB 4.15Å; L465-P497 HydrophobicContact CD1-CG 4.19Å; L465-P497 HydrophobicContact CG-CB 4.14Å; L465-P497 HydrophobicContact CG-CG 4.16Å; L465-L500 HydrophobicContact CD1-CD2 4.4Å; L465-L529 HydrophobicContact CD1-CD1 3.64Å; L465-L533 HydrophobicContact CD2-CD2 4.02Å; L465-I534 HydrophobicContact CD2-CG2 3.96Å
466E92.1Very high92.4Very high61 Ų6151.6 Ų51.629%0.28526%0.258SS..EExtended strand (participates in β ladder)trans-129.4154.9177.7-167.1167.6-152.600110.5V489 Y490 K492E466-V489 WeakPolarHBondContact O-CA 3.41Å; E466-Y490 HydrophobicContact CB-CE2 4.15Å; E466-Y490 PolarHBondContact N-O 3.01Å; E466-Y490 PolarHBondContact O-N 3.14Å; E466-Y490 VanDerWaalsContact O-N 3.09Å; E466-Y490 PolarHBondContact OE2-OH 3.36Å; E466-K492 HydrophobicContact CB-CB 4.17Å; E466-K492 IonicContact OE1-NZ 3.81Å; E466-K492 PolarHBondContact OE1-NZ 2.98Å; E466-K492 WeakPolarHBondContact OE2-CB 3.3Å; E466-K492 WeakPolarHBondContact OE2-CD 3.34Å; E466-K492 VanDerWaalsContact OE2-CE 3.22Å; E466-K492 WeakPolarHBondContact OE2-CE 3.43Å; E466-K492 WeakPolarHBondContact OE2-CG 3.42Å; E466-K492 IonicContact OE2-NZ 3.58Å; E466-K492 PolarHBondContact OE2-NZ 3.37Å
467L93.5Very high92Very high23 Ų2348.1 Ų48.112%0.1224%0.243CC..EExtended strand (participates in β ladder)trans-109.4142.3-179.3-57.2174.9000109.1V459 V461 C469 D470 F487 V489V459-L467 HydrophobicContact CB-CD1 3.77Å; V459-L467 HydrophobicContact CG1-CD1 3.67Å; V459-L467 HydrophobicContact CG1-CD2 4.32Å; V459-L467 WeakPolarHBondContact O-CD1 3.35Å; V461-L467 HydrophobicContact CB-CD2 4.46Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å; V461-L467 HydrophobicContact CG1-CG 4.45Å; V461-L467 HydrophobicContact CG2-CD1 4.3Å; V461-L467 HydrophobicContact CG2-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CG 3.79Å; L467-C469 PolarHBondContact O-N 2.91Å; L467-D470 HydrophobicContact CD1-CB 4.24Å; L467-F487 HydrophobicContact CD2-CD2 3.85Å; L467-F487 HydrophobicContact CD2-CE2 4Å; L467-V489 HydrophobicContact CD2-CB 4.23Å; L467-V489 HydrophobicContact CD2-CG1 4.09Å; L467-V489 HydrophobicContact CD2-CG2 3.52Å
468T92.9Very high91.5Very high68 Ų6851.3 Ų51.342%0.41726%0.263SS..SBendtrans-66.2-27.1169.156.70000112.7Q426 S488 Y490Q426-T468 HydrophobicContact CB-CG2 3.71Å; T468-S488 PolarHBondContact N-O 2.63Å; T468-S488 PolarHBondContact OG1-N 3.49Å; T468-Y490 HydrophobicContact CG2-CD1 4.45Å; T468-Y490 HydrophobicContact CG2-CE1 4.01Å
469C92.1Very high91Very high45 Ų4553.8 Ų53.830%0.30428%0.279SS..  trans-153.6124.4176.4-170.70000108.7L467 Q471 F472L467-C469 PolarHBondContact O-N 2.91Å; C469-Q471 PolarHBondContact SG-O 3.38Å; C469-Q471 VanDerWaalsContact SG-O 3.34Å; C469-F472 HydrophobicContact CB-CE1 4.21Å; C469-F472 HydrophobicContact CB-CE2 4.43Å; C469-F472 HydrophobicContact CB-CZ 3.74Å
470D92.1Very high90.4Very high81 Ų8160 Ų6043%0.43331%0.312SS..  trans-94.3-27.4-176.767.3-35.4000112.5S458 V459 L467S458-D470 CarbonylContact C-O 3.46Å; S458-D470 WeakPolarHBondContact CA-O 3.4Å; V459-D470 PolarHBondContact N-O 3.13Å; L467-D470 HydrophobicContact CD1-CB 4.24Å
471Q94.6Very high90.1Very high84 Ų8455.8 Ų55.839%0.39330%0.298SS..EExtended strand (participates in β ladder)trans-130139.1-172.3-7017250.500113.4L457 C469L457-Q471 CarbonylContact O-C 3.58Å; L457-Q471 WeakPolarHBondContact O-CA 3.42Å; C469-Q471 PolarHBondContact SG-O 3.38Å; C469-Q471 VanDerWaalsContact SG-O 3.34Å
472F95.6Very high90Very high35 Ų3558.1 Ų58.115%0.15431%0.312CS..EExtended strand (participates in β ladder)trans-135126.9174.9-55-91000109.5K456 L457 C469 F474 V485 F487K456-F472 WeakPolarHBondContact CA-O 3.29Å; L457-F472 HydrophobicContact CB-CB 4.28Å; L457-F472 HydrophobicContact CD2-CD2 3.99Å; L457-F472 HydrophobicContact CG-CD2 4.17Å; L457-F472 PolarHBondContact N-O 3.23Å; L457-F472 PolarHBondContact O-N 2.98Å; C469-F472 HydrophobicContact CB-CE1 4.21Å; C469-F472 HydrophobicContact CB-CE2 4.43Å; C469-F472 HydrophobicContact CB-CZ 3.74Å; F472-F474 HydrophobicContact CB-CE2 4.15Å; F472-F474 HydrophobicContact CB-CZ 4.04Å; F472-V485 HydrophobicContact CB-CG1 4.1Å; F472-V485 HydrophobicContact CD1-CB 3.88Å; F472-V485 HydrophobicContact CD1-CG1 3.63Å; F472-V485 HydrophobicContact CD1-CG2 4.43Å; F472-V485 HydrophobicContact CD2-CB 4.31Å; F472-V485 HydrophobicContact CD2-CG1 4.45Å; F472-V485 HydrophobicContact CD2-CG2 3.97Å; F472-V485 HydrophobicContact CE1-CB 3.89Å; F472-V485 HydrophobicContact CE1-CG1 4.14Å; F472-V485 HydrophobicContact CE1-CG2 4.48Å; F472-V485 HydrophobicContact CE2-CB 4.33Å; F472-V485 HydrophobicContact CE2-CG2 4.04Å; F472-V485 HydrophobicContact CG-CB 4.08Å; F472-V485 HydrophobicContact CG-CG1 3.8Å; F472-V485 HydrophobicContact CG-CG2 4.17Å; F472-V485 HydrophobicContact CZ-CB 4.12Å; F472-V485 HydrophobicContact CZ-CG2 4.29Å; F472-F487 AromaticContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CE1 4.5Å; F472-F487 HydrophobicContact CZ-CB 4.16Å; F472-F487 HydrophobicContact CZ-CD1 4.01Å
473T94.4Very high90.2Very high85 Ų8561.7 Ų61.752%0.52132%0.324SS..EExtended strand (participates in β ladder)trans-114.4132.8-177-55.50000110.9
474F92Very high90.5Very high33 Ų3363.5 Ų63.515%0.14534%0.335CS..EExtended strand (participates in β ladder)trans-125.6104.7175.6-45.5-79.8000108.8L446 A455 L457 F472 F476 M477 R483 V485L446-F474 HydrophobicContact CD1-CD2 4.01Å; L446-F474 HydrophobicContact CD1-CE2 3.44Å; L446-F474 VanDerWaalsContact CD1-CE2 3.44Å; L446-F474 HydrophobicContact CD1-CZ 4.14Å; A455-F474 HydrophobicContact CB-CB 4.29Å; A455-F474 HydrophobicContact CB-CD2 4.42Å; A455-F474 PolarHBondContact N-O 3.42Å; A455-F474 WeakPolarHBondContact O-CD2 3.29Å; A455-F474 PolarHBondContact O-N 2.59Å; L457-F474 HydrophobicContact CB-CE2 4.34Å; F472-F474 HydrophobicContact CB-CE2 4.15Å; F472-F474 HydrophobicContact CB-CZ 4.04Å; F474-F476 VanDerWaalsContact C-N 3.3Å; F474-F476 PolarHBondContact O-N 3.44Å; F474-M477 HydrophobicContact CB-CG 3.95Å; F474-M477 HydrophobicContact CB-SD 4.05Å; F474-M477 HydrophobicContact CD2-SD 4.32Å; F474-M477 HydrophobicContact CG-SD 4.24Å; F474-R483 HydrophobicContact CD1-CG 4.33Å; F474-R483 HydrophobicContact CE1-CB 4.22Å; F474-R483 HydrophobicContact CE1-CG 4.33Å; F474-R483 HydrophobicContact CZ-CB 4.42Å; F474-V485 HydrophobicContact CE1-CG1 4.24Å; F474-V485 HydrophobicContact CZ-CG1 3.59Å
475E89.8Confident90.7Very high129 Ų12964 Ų6460%0.60334%0.337SS*.EExtended strand (participates in β ladder)trans-61.1-40.1-178.1-68.7-57.2145.700112.6Q453 K454Q453-E475 CarbonylContact C-O 3.54Å; Q453-E475 WeakPolarHBondContact CA-O 3.44Å; K454-E475 PolarHBondContact N-O 2.86Å
476F86.5Confident90.8Very high100 Ų10066.3 Ų66.344%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-145.7128.6-176.7-163.4-94.9000110.9I451 Q453 F474 T478I451-F476 HydrophobicContact CG1-CZ 4.47Å; I451-F476 HydrophobicContact CG2-CD2 4.4Å; I451-F476 HydrophobicContact CG2-CE1 4.18Å; I451-F476 HydrophobicContact CG2-CE2 3.46Å; I451-F476 VanDerWaalsContact CG2-CE2 3.46Å; I451-F476 HydrophobicContact CG2-CZ 3.33Å; Q453-F476 HydrophobicContact CG-CD2 3.88Å; Q453-F476 HydrophobicContact CG-CE2 4.06Å; F474-F476 VanDerWaalsContact C-N 3.3Å; F474-F476 PolarHBondContact O-N 3.44Å; F476-T478 HydrophobicContact CD1-CG2 4.17Å; F476-T478 HydrophobicContact CE1-CG2 3.84Å
477M85.2Confident90.9Very high1 Ų163.5 Ų63.51%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-120.7115.7173.5-59.5-171.5-58.300108.8L411 N448 I451 L452 A455 F474 L481 R483L411-M477 HydrophobicContact CD1-CE 4.21Å; N448-M477 PolarHBondContact ND2-O 2.93Å; I451-M477 WeakPolarHBondContact CA-O 3.44Å; L452-M477 HydrophobicContact CB-CB 4.41Å; L452-M477 HydrophobicContact CB-CE 3.77Å; L452-M477 HydrophobicContact CD1-CE 3.77Å; L452-M477 HydrophobicContact CG-CE 4.37Å; L452-M477 PolarHBondContact N-O 2.71Å; L452-M477 PolarHBondContact O-N 3.32Å; A455-M477 HydrophobicContact CB-CE 3.32Å; A455-M477 HydrophobicContact CB-SD 4.06Å; F474-M477 HydrophobicContact CB-CG 3.95Å; F474-M477 HydrophobicContact CB-SD 4.05Å; F474-M477 HydrophobicContact CD2-SD 4.32Å; F474-M477 HydrophobicContact CG-SD 4.24Å; M477-L481 HydrophobicContact CB-CD2 4.48Å; M477-R483 HydrophobicContact SD-CG 4.43Å
478T86.2Confident91Very high68 Ų6862.8 Ų62.842%0.41734%0.339SS..  trans-68.4155.7174.452.60000110.4N448 F476 L481N448-T478 PolarHBondContact ND2-O 3.1Å; N448-T478 PolarHBondContact OD1-O 3.02Å; F476-T478 HydrophobicContact CD1-CG2 4.17Å; F476-T478 HydrophobicContact CE1-CG2 3.84Å; T478-L481 WeakPolarHBondContact O-CB 3.34Å; T478-L481 PolarHBondContact O-N 3.39Å
479P85.1Confident91Very high61 Ų6159.6 Ų59.640%0.39632%0.319SS..THydrogen-bonded Turntrans-53.7146.6175.2-25.837.1000112.2I451 L481I451-P479 HydrophobicContact CG1-CG 3.7Å; P479-L481 PolarHBondContact O-N 2.99Å; P479-L481 VanDerWaalsContact O-N 3.08Å
480D83.9Confident91Very high135 Ų13557.6 Ų57.672%0.72231%0.305SS*.THydrogen-bonded Turntrans57.918179.2-55.6-44.8000114.7N448N448-D480 VanDerWaalsContact O-CA 3.24Å; N448-D480 WeakPolarHBondContact O-CA 3.39Å; N448-D480 PolarHBondContact O-N 2.87Å
481L87.2Confident91Very high44 Ų4453.8 Ų53.823%0.2329%0.285CS..  trans-78.9137.2174.9-171.562.3000109.9N448 M477 T478 P479 R483N448-L481 PolarHBondContact N-O 3.25Å; N448-L481 PolarHBondContact OD1-O 2.89Å; M477-L481 HydrophobicContact CB-CD2 4.48Å; T478-L481 WeakPolarHBondContact O-CB 3.34Å; T478-L481 PolarHBondContact O-N 3.39Å; P479-L481 PolarHBondContact O-N 2.99Å; P479-L481 VanDerWaalsContact O-N 3.08Å; L481-R483 HydrophobicContact CD2-CG 4.29Å; L481-R483 HydrophobicContact CG-CG 4.37Å
482T90.6Very high90.7Very high69 Ų6951.9 Ų51.942%0.42328%0.275SS..EExtended strand (participates in β ladder)trans-107.8123.9169.1-590000109T445 L446 Q447T445-T482 HydrophobicContact CG2-CG2 3.41Å; T445-T482 VanDerWaalsContact CG2-CG2 3.41Å; L446-T482 CarbonylContact O-C 3.55Å; L446-T482 WeakPolarHBondContact O-CA 3.12Å; Q447-T482 HydrophobicContact CG-CG2 3.92Å
483R92Very high90.1Very high114 Ų11454.4 Ų54.443%0.4328%0.284SS..EExtended strand (participates in β ladder)trans-113.5127.4171.6-69-63.8-171.6-178-1.4109.2T445 L446 F474 M477 L481T445-R483 WeakPolarHBondContact CA-O 3.21Å; L446-R483 HydrophobicContact CB-CB 4.37Å; L446-R483 PolarHBondContact N-O 2.81Å; L446-R483 PolarHBondContact O-N 3.3Å; F474-R483 HydrophobicContact CD1-CG 4.33Å; F474-R483 HydrophobicContact CE1-CB 4.22Å; F474-R483 HydrophobicContact CE1-CG 4.33Å; F474-R483 HydrophobicContact CZ-CB 4.42Å; M477-R483 HydrophobicContact SD-CG 4.43Å; L481-R483 HydrophobicContact CD2-CG 4.29Å; L481-R483 HydrophobicContact CG-CG 4.37Å
484T93.2Very high89.5Confident80 Ų8053 Ų5349%0.49128%0.277SS..EExtended strand (participates in β ladder)trans-116.8127174.7-55.20000108.8K443 V444 T445K443-T484 HydrophobicContact CB-CG2 4.35Å; V444-T484 CarbonylContact O-C 3.38Å; V444-T484 VanDerWaalsContact O-CA 3.3Å; V444-T484 WeakPolarHBondContact O-CA 3.47Å; T445-T484 PolarHBondContact OG1-OG1 2.84Å
485V94.5Very high89Confident16 Ų1651.9 Ų51.910%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-110.8157.7169.4-62.10000109.9K443 V444 L457 F472 F474K443-V485 WeakPolarHBondContact CA-O 3.28Å; V444-V485 HydrophobicContact CB-CG2 3.85Å; V444-V485 PolarHBondContact N-O 2.85Å; V444-V485 PolarHBondContact O-N 2.98Å; L457-V485 HydrophobicContact CD2-CG2 3.34Å; F472-V485 HydrophobicContact CB-CG1 4.1Å; F472-V485 HydrophobicContact CD1-CB 3.88Å; F472-V485 HydrophobicContact CD1-CG1 3.63Å; F472-V485 HydrophobicContact CD1-CG2 4.43Å; F472-V485 HydrophobicContact CD2-CB 4.31Å; F472-V485 HydrophobicContact CD2-CG1 4.45Å; F472-V485 HydrophobicContact CD2-CG2 3.97Å; F472-V485 HydrophobicContact CE1-CB 3.89Å; F472-V485 HydrophobicContact CE1-CG1 4.14Å; F472-V485 HydrophobicContact CE1-CG2 4.48Å; F472-V485 HydrophobicContact CE2-CB 4.33Å; F472-V485 HydrophobicContact CE2-CG2 4.04Å; F472-V485 HydrophobicContact CG-CB 4.08Å; F472-V485 HydrophobicContact CG-CG1 3.8Å; F472-V485 HydrophobicContact CG-CG2 4.17Å; F472-V485 HydrophobicContact CZ-CB 4.12Å; F472-V485 HydrophobicContact CZ-CG2 4.29Å; F474-V485 HydrophobicContact CE1-CG1 4.24Å; F474-V485 HydrophobicContact CZ-CG1 3.59Å
486S93.7Very high88.8Confident61 Ų6146.3 Ų46.343%0.42725%0.247SC..EExtended strand (participates in β ladder)trans-136.5135.2176.9-57.40000108.8V442 K443V442-S486 WeakPolarHBondContact O-CA 3.42Å; K443-S486 WeakPolarHBondContact CG-OG 3.3Å
487F94.5Very high89.1Confident2 Ų241.5 Ų41.51%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-139156.9172.751.3-89.5000108.1T441 V442 V444 V459 L467 F472 V489 F527T441-F487 WeakPolarHBondContact CA-O 3.41Å; V442-F487 HydrophobicContact CB-CD2 4.09Å; V442-F487 HydrophobicContact CB-CE1 4.46Å; V442-F487 HydrophobicContact CB-CE2 3.52Å; V442-F487 HydrophobicContact CB-CZ 3.73Å; V442-F487 HydrophobicContact CG1-CE1 4.35Å; V442-F487 HydrophobicContact CG1-CE2 3.85Å; V442-F487 HydrophobicContact CG1-CZ 3.57Å; V442-F487 HydrophobicContact CG2-CE2 4.08Å; V442-F487 PolarHBondContact N-O 2.8Å; V442-F487 PolarHBondContact O-N 2.83Å; V442-F487 VanDerWaalsContact O-N 3.1Å; V444-F487 HydrophobicContact CG2-CE1 3.52Å; V444-F487 HydrophobicContact CG2-CZ 3.91Å; V459-F487 HydrophobicContact CB-CE1 4.38Å; V459-F487 HydrophobicContact CB-CZ 4.16Å; V459-F487 HydrophobicContact CG1-CE1 4.21Å; V459-F487 HydrophobicContact CG1-CE2 3.69Å; V459-F487 HydrophobicContact CG1-CZ 3.5Å; V459-F487 HydrophobicContact CG2-CD1 4.28Å; V459-F487 HydrophobicContact CG2-CE1 3.59Å; V459-F487 HydrophobicContact CG2-CZ 3.75Å; L467-F487 HydrophobicContact CD2-CD2 3.85Å; L467-F487 HydrophobicContact CD2-CE2 4Å; F472-F487 AromaticContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CE1 4.5Å; F472-F487 HydrophobicContact CZ-CB 4.16Å; F472-F487 HydrophobicContact CZ-CD1 4.01Å; F487-V489 HydrophobicContact CD2-CG2 4.04Å; F487-V489 HydrophobicContact CE2-CG2 3.96Å; F487-F527 HydrophobicContact CE2-CZ 4.14Å; F487-F527 HydrophobicContact CZ-CE1 4.48Å; F487-F527 HydrophobicContact CZ-CZ 4.09Å
488S94Very high89.3Confident8 Ų841.5 Ų41.56%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-105.2141.4174.9-65.40000109.8D422 V440 T441 T468D422-S488 WeakPolarHBondContact OD2-CB 3.48Å; D422-S488 PolarHBondContact OD2-OG 2.81Å; V440-S488 WeakPolarHBondContact O-CA 3.46Å; T441-S488 PolarHBondContact OG1-OG 3.09Å; T468-S488 PolarHBondContact N-O 2.63Å; T468-S488 PolarHBondContact OG1-N 3.49Å
489V94.2Very high89.5Confident0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-108.7135.4173.7-166.60000108.8S439 V440 V442 V461 L465 E466 L467 F487 L529 L533S439-V489 WeakPolarHBondContact CA-O 3.19Å; V440-V489 HydrophobicContact CG1-CB 4.24Å; V440-V489 PolarHBondContact N-O 3.39Å; V440-V489 PolarHBondContact O-N 2.97Å; V442-V489 HydrophobicContact CG2-CG2 3.83Å; V461-V489 HydrophobicContact CG1-CG1 4.15Å; V461-V489 HydrophobicContact CG2-CG1 4.5Å; L465-V489 HydrophobicContact CB-CG1 4.15Å; L465-V489 HydrophobicContact CD2-CG1 4.42Å; E466-V489 WeakPolarHBondContact O-CA 3.41Å; L467-V489 HydrophobicContact CD2-CB 4.23Å; L467-V489 HydrophobicContact CD2-CG1 4.09Å; L467-V489 HydrophobicContact CD2-CG2 3.52Å; F487-V489 HydrophobicContact CD2-CG2 4.04Å; F487-V489 HydrophobicContact CE2-CG2 3.96Å; V489-L529 HydrophobicContact CB-CD1 4.46Å; V489-L529 HydrophobicContact CB-CD2 4.2Å; V489-L529 HydrophobicContact CG1-CD1 3.82Å; V489-L529 HydrophobicContact CG1-CD2 4.44Å; V489-L529 HydrophobicContact CG2-CD2 4.03Å; V489-L533 HydrophobicContact CB-CD2 4.48Å; V489-L533 HydrophobicContact CG1-CD2 4.34Å
490Y92.3Very high89.8Confident3 Ų337.7 Ų37.71%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-146.8168.6177.960.7-89.1000111.1A427 T428 V430 L465 E466 T468 K492A427-Y490 HydrophobicContact CB-CD1 4.24Å; A427-Y490 HydrophobicContact CB-CD2 3.42Å; A427-Y490 VanDerWaalsContact CB-CD2 3.42Å; A427-Y490 HydrophobicContact CB-CE2 3.89Å; A427-Y490 HydrophobicContact CB-CG 3.61Å; T428-Y490 PolarHBondContact OG1-OH 2.96Å; V430-Y490 HydrophobicContact CG2-CE2 4.48Å; L465-Y490 WeakPolarHBondContact CA-O 3.34Å; E466-Y490 HydrophobicContact CB-CE2 4.15Å; E466-Y490 PolarHBondContact N-O 3.01Å; E466-Y490 PolarHBondContact O-N 3.14Å; E466-Y490 VanDerWaalsContact O-N 3.09Å; E466-Y490 PolarHBondContact OE2-OH 3.36Å; T468-Y490 HydrophobicContact CG2-CD1 4.45Å; T468-Y490 HydrophobicContact CG2-CE1 4.01Å; Y490-K492 HydrophobicContact CE2-CB 4.42Å
491L91.1Very high90.2Very high2 Ų234.5 Ų34.51%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-92.8118178.9-174.371.5000110.2V432 V437 P464 L465 I534 L583V432-L491 HydrophobicContact CG2-CD2 4.38Å; V437-L491 HydrophobicContact CG1-CB 4.31Å; V437-L491 WeakPolarHBondContact CG1-O 3.47Å; P464-L491 HydrophobicContact CB-CD1 4.5Å; P464-L491 HydrophobicContact CG-CD1 3.76Å; L465-L491 HydrophobicContact CD2-CD1 4.22Å; L491-I534 HydrophobicContact CB-CG2 4.36Å; L491-I534 HydrophobicContact CD1-CG2 4.01Å; L491-I534 HydrophobicContact CD2-CB 4.5Å; L491-I534 HydrophobicContact CD2-CG2 4.31Å; L491-I534 HydrophobicContact CG-CG2 4.47Å; L491-L583 HydrophobicContact CD2-CB 3.62Å; L491-L583 HydrophobicContact CD2-CD1 4.19Å
492K88.7Confident90.4Very high44 Ų4432.6 Ų32.619%0.19117%0.17CC..  trans-89.6-44.7-177.6-162.1-153.8-161.4114.50113.5D429 E431 P464 E466 Y490D429-K492 WeakPolarHBondContact O-CE 3.38Å; E431-K492 PolarHBondContact N-O 3.47Å; P464-K492 PolarHBondContact O-N 2.94Å; E466-K492 HydrophobicContact CB-CB 4.17Å; E466-K492 IonicContact OE1-NZ 3.81Å; E466-K492 PolarHBondContact OE1-NZ 2.98Å; E466-K492 WeakPolarHBondContact OE2-CB 3.3Å; E466-K492 WeakPolarHBondContact OE2-CD 3.34Å; E466-K492 VanDerWaalsContact OE2-CE 3.22Å; E466-K492 WeakPolarHBondContact OE2-CE 3.43Å; E466-K492 WeakPolarHBondContact OE2-CG 3.42Å; E466-K492 IonicContact OE2-NZ 3.58Å; E466-K492 PolarHBondContact OE2-NZ 3.37Å; Y490-K492 HydrophobicContact CE2-CB 4.42Å
493R83.9Confident90.5Very high88 Ų8830.9 Ų30.933%0.33216%0.158SC..SBendtrans-108.1167-173.9-53.3-178.8174.5173.3-4.9112P464 Y495P464-R493 HydrophobicContact CB-CB 3.63Å; P464-R493 HydrophobicContact CB-CG 4.13Å; P464-R493 HydrophobicContact CG-CB 4.39Å; R493-Y495 VanDerWaalsContact C-N 3.34Å; R493-Y495 HydrophobicContact CB-CD1 3.94Å; R493-Y495 HydrophobicContact CB-CE1 3.58Å; R493-Y495 HydrophobicContact CG-CE1 4.22Å; R493-Y495 PolarHBondContact O-N 3.41Å
494S80.6Confident90.7Very high56 Ų5625.5 Ų25.539%0.39214%0.138SC..SBendtrans-81.23.4-170.6580000116G584S494-G584 CarbonylContact O-C 3.55Å; S494-G584 WeakPolarHBondContact O-CA 3.41Å
495Y83.1Confident90.8Very high9 Ų923 Ų234%0.03512%0.123CC..SBendtrans-105.3167175.858-84000111.6P464 R493 F721 Q722 T725P464-Y495 HydrophobicContact CB-CD1 4.45Å; P464-Y495 HydrophobicContact CB-CD2 4.26Å; P464-Y495 HydrophobicContact CB-CE1 3.94Å; P464-Y495 HydrophobicContact CB-CE2 3.73Å; P464-Y495 HydrophobicContact CG-CD1 4.26Å; P464-Y495 HydrophobicContact CG-CD2 3.59Å; P464-Y495 HydrophobicContact CG-CE1 4.2Å; P464-Y495 HydrophobicContact CG-CE2 3.52Å; P464-Y495 HydrophobicContact CG-CG 3.97Å; P464-Y495 WeakPolarHBondContact CG-O 3.49Å; R493-Y495 VanDerWaalsContact C-N 3.34Å; R493-Y495 HydrophobicContact CB-CD1 3.94Å; R493-Y495 HydrophobicContact CB-CE1 3.58Å; R493-Y495 HydrophobicContact CG-CE1 4.22Å; R493-Y495 PolarHBondContact O-N 3.41Å; Y495-F721 WeakPolarHBondContact OH-CD1 3.47Å; Y495-F721 WeakPolarHBondContact OH-CE1 3.33Å; Y495-Q722 HydrophobicContact CD1-CG 3.67Å; Y495-Q722 HydrophobicContact CE1-CG 3.56Å; Y495-Q722 HydrophobicContact CG-CG 4.23Å; Y495-T725 WeakPolarHBondContact CD2-OG1 3.42Å; Y495-T725 HydrophobicContact CE2-CG2 3.94Å; Y495-T725 WeakPolarHBondContact CE2-OG1 3.36Å
496T85.5Confident90.8Very high11 Ų1122.3 Ų22.37%0.06712%0.118CC..  trans-85.6139.2-178.352.80000111.3F582T496-F582 HydrophobicContact CG2-CB 3.94Å; T496-F582 HydrophobicContact CG2-CD2 3.37Å; T496-F582 HydrophobicContact CG2-CE2 3.94Å; T496-F582 HydrophobicContact CG2-CG 3.72Å
497P91.1Very high90.8Very high0 Ų021.6 Ų21.60%011%0.113CC..  trans-67.6151.7171.829.4-34.2000110.9Q462 P463 L465 E499 L500 I534 L611Q462-P497 HydrophobicContact CB-CB 4.44Å; P463-P497 WeakPolarHBondContact O-CA 3.47Å; L465-P497 HydrophobicContact CD1-CB 4.15Å; L465-P497 HydrophobicContact CD1-CG 4.19Å; L465-P497 HydrophobicContact CG-CB 4.14Å; L465-P497 HydrophobicContact CG-CG 4.16Å; P497-E499 VanDerWaalsContact C-N 3.29Å; P497-E499 PolarHBondContact O-N 2.63Å; P497-L500 HydrophobicContact CG-CD2 4.21Å; P497-I534 HydrophobicContact CG-CD1 3.88Å; P497-I534 HydrophobicContact CG-CG2 4.31Å; P497-L611 WeakPolarHBondContact O-CD1 3.34Å
498S89.8Confident90.7Very high0 Ų022.4 Ų22.40%012%0.116CC..SBendtrans-68.5-29.7178.166.20000113.3W610 K728 S729S498-W610 PolarHBondContact O-NE1 2.99Å; S498-K728 WeakPolarHBondContact OG-CD 3.31Å; S498-S729 WeakPolarHBondContact CA-OG 3.31Å
499E90.1Very high90.6Very high38 Ų3822.9 Ų22.918%0.17812%0.12CC..  trans-146.2151.9179.5-58.9-177.8126.300110.1Q462 P497 E501 H732Q462-E499 HydrophobicContact CG-CB 4.19Å; P497-E499 VanDerWaalsContact C-N 3.29Å; P497-E499 PolarHBondContact O-N 2.63Å; E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.96Å; E499-H732 IonicContact OE1-CE1 2.72Å; E499-H732 PolarHBondContact OE1-CE1 3.44Å; E499-H732 IonicContact OE1-ND1 3.74Å; E499-H732 PolarHBondContact OE1-ND1 3.49Å; E499-H732 IonicContact OE1-NE2 3.51Å; E499-H732 PolarHBondContact OE1-NE2 2.95Å
500L92.4Very high90.3Very high11 Ų1125.9 Ų25.96%0.05813%0.131CC..SBendtrans-98.844.3171.9-72.6170.6000110.7L465 P497 R528 L529 L531 I534 L611L465-L500 HydrophobicContact CD1-CD2 4.4Å; P497-L500 HydrophobicContact CG-CD2 4.21Å; L500-R528 CarbonylContact O-C 3.54Å; L500-R528 WeakPolarHBondContact O-CA 3.46Å; L500-L529 HydrophobicContact CB-CB 4.34Å; L500-L529 HydrophobicContact CD2-CB 4.36Å; L500-L529 PolarHBondContact O-N 2.95Å; L500-L531 HydrophobicContact CD1-CB 4.25Å; L500-L531 HydrophobicContact CD1-CD1 3.87Å; L500-I534 HydrophobicContact CD1-CD1 4.02Å; L500-I534 HydrophobicContact CD1-CG1 4.3Å; L500-I534 HydrophobicContact CD2-CD1 3.78Å; L500-I534 HydrophobicContact CD2-CG1 4.04Å; L500-I534 HydrophobicContact CD2-CG2 4.21Å; L500-I534 HydrophobicContact CG-CD1 4.11Å; L500-L611 HydrophobicContact CG-CD2 4.32Å
501E91.1Very high90.1Very high69 Ų6927.7 Ų27.732%0.32214%0.143SC..EExtended strand (participates in β ladder)trans-114.2142.7174.1-65.6-166.4172.300110.2E499 K526 F527E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.96Å; E501-K526 IonicContact OE2-NZ 2.71Å; E501-K526 PolarHBondContact OE2-NZ 2.83Å; E501-F527 CarbonylContact C-O 3.58Å; E501-F527 WeakPolarHBondContact CA-O 3.35Å
502G92.2Very high89.8Confident3 Ų329.5 Ų29.53%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-118.9155.2164.500000110.5Y460 K526 F527Y460-G502 CarbonylContact O-C 3.57Å; Y460-G502 WeakPolarHBondContact O-CA 3.32Å; G502-K526 CarbonylContact O-C 3.59Å; G502-K526 WeakPolarHBondContact O-CA 3.15Å; G502-F527 PolarHBondContact N-O 3.19Å; G502-F527 VanDerWaalsContact O-CD1 3.3Å; G502-F527 WeakPolarHBondContact O-CD1 3.06Å; G502-F527 PolarHBondContact O-N 2.98Å
503N93.9Very high89.6Confident34 Ų3435.8 Ų35.818%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-125.2121.6179-164.711.2000109.9V459 Y460 Q524 C525V459-N503 WeakPolarHBondContact CA-O 3.39Å; Y460-N503 PolarHBondContact N-O 3.33Å; Y460-N503 PolarHBondContact O-N 3.2Å; N503-Q524 PolarHBondContact ND2-OE1 2.91Å; N503-C525 PolarHBondContact OD1-O 3.36Å
504A94.8Very high89.4Confident0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-97.8111.2173.200000108.9V415 V444 L457 V459 Q524 C525 F527V415-A504 HydrophobicContact CG2-CB 4.11Å; V444-A504 HydrophobicContact CG1-CB 4.47Å; V444-A504 HydrophobicContact CG2-CB 4.29Å; L457-A504 HydrophobicContact CD1-CB 3.89Å; V459-A504 HydrophobicContact CG2-CB 4.43Å; A504-Q524 CarbonylContact O-C 3.5Å; A504-Q524 VanDerWaalsContact O-CA 3.3Å; A504-Q524 WeakPolarHBondContact O-CA 3.3Å; A504-C525 PolarHBondContact N-O 2.78Å; A504-C525 PolarHBondContact O-N 2.91Å; A504-F527 HydrophobicContact CB-CE1 4.28Å
505V95.3Very high89.7Confident29 Ų2939.2 Ų39.218%0.17620%0.199CC..EExtended strand (participates in β ladder)trans-107.9123.3-178.6-176.40000109.1L457 S458 Y460 V522 I523 Q524L457-V505 CarbonylContact C-O 3.59Å; L457-V505 WeakPolarHBondContact CA-O 3.31Å; S458-V505 PolarHBondContact N-O 2.8Å; S458-V505 PolarHBondContact O-N 2.86Å; Y460-V505 HydrophobicContact CD2-CG2 3.96Å; Y460-V505 HydrophobicContact CE2-CB 4.06Å; Y460-V505 HydrophobicContact CE2-CG2 3.84Å; V505-V522 HydrophobicContact CG1-CG1 3.47Å; V505-V522 VanDerWaalsContact CG1-CG1 3.47Å; V505-I523 CarbonylContact C-O 3.59Å; V505-Q524 HydrophobicContact CG2-CB 4.13Å
506V94.2Very high89.8Confident0 Ų043.4 Ų43.40%023%0.227CC..EExtended strand (participates in β ladder)trans-114.1115.8177-168.60000109.6L411 V413 L446 K456 L457 Y508 V522 I523L411-V506 HydrophobicContact CD2-CB 4.01Å; L411-V506 HydrophobicContact CD2-CG1 3.61Å; V413-V506 HydrophobicContact CG1-CG2 4.37Å; V413-V506 HydrophobicContact CG2-CB 4.43Å; V413-V506 HydrophobicContact CG2-CG2 3.81Å; L446-V506 HydrophobicContact CD2-CG2 3.67Å; K456-V506 CarbonylContact O-C 3.59Å; K456-V506 VanDerWaalsContact O-CA 3.31Å; K456-V506 WeakPolarHBondContact O-CA 3.16Å; L457-V506 HydrophobicContact CB-CG2 4.07Å; L457-V506 HydrophobicContact CD1-CG2 3.58Å; L457-V506 HydrophobicContact CG-CG2 4.36Å; V506-Y508 HydrophobicContact CG1-CD1 4.33Å; V506-V522 CarbonylContact O-C 3.59Å; V506-V522 VanDerWaalsContact O-CA 3.32Å; V506-V522 WeakPolarHBondContact O-CA 3.35Å; V506-I523 HydrophobicContact CB-CG2 3.87Å; V506-I523 HydrophobicContact CG2-CG2 4.46Å; V506-I523 PolarHBondContact N-O 2.86Å; V506-I523 PolarHBondContact O-N 2.84Å
507S94.2Very high89.6Confident46 Ų4648 Ų4832%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-98.2133.5169.2600000109.9A455 K456 R521A455-S507 CarbonylContact C-O 3.56Å; A455-S507 VanDerWaalsContact CA-O 3.28Å; A455-S507 WeakPolarHBondContact CA-O 3.47Å; K456-S507 PolarHBondContact N-O 3.39Å; K456-S507 PolarHBondContact O-N 3.01Å; K456-S507 PolarHBondContact O-OG 2.77Å; S507-R521 CarbonylContact C-O 3.58Å; S507-R521 VanDerWaalsContact CA-O 3.31Å; S507-R521 WeakPolarHBondContact CA-O 3.49Å
508Y92.4Very high89.2Confident19 Ų1948.2 Ų48.28%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-146.6161.8-179.957.5-91000111.1D410 L411 L452 V506 P520 R521 I523D410-Y508 HydrophobicContact CB-CE2 4.36Å; L411-Y508 HydrophobicContact CB-CE1 3.93Å; L411-Y508 HydrophobicContact CD2-CD1 3.6Å; L411-Y508 HydrophobicContact CD2-CE1 3.66Å; L411-Y508 HydrophobicContact CD2-CG 4.46Å; L411-Y508 HydrophobicContact CG-CE1 4.44Å; L452-Y508 HydrophobicContact CD1-CD2 3.9Å; L452-Y508 HydrophobicContact CD1-CE2 4.16Å; L452-Y508 HydrophobicContact CD1-CG 4.15Å; L452-Y508 HydrophobicContact CD2-CD2 3.55Å; L452-Y508 HydrophobicContact CD2-CE2 3.81Å; L452-Y508 HydrophobicContact CD2-CG 4.48Å; L452-Y508 HydrophobicContact CG-CD2 4.24Å; V506-Y508 HydrophobicContact CG1-CD1 4.33Å; Y508-P520 CarbonylContact O-C 3.51Å; Y508-P520 WeakPolarHBondContact O-CA 3.5Å; Y508-R521 HydrophobicContact CD2-CB 3.92Å; Y508-R521 HydrophobicContact CE1-CB 4.08Å; Y508-R521 HydrophobicContact CE2-CB 3.46Å; Y508-R521 VanDerWaalsContact CE2-CB 3.46Å; Y508-R521 HydrophobicContact CE2-CG 4.04Å; Y508-R521 HydrophobicContact CG-CB 4.45Å; Y508-R521 PolarHBondContact N-O 3.45Å; Y508-R521 PolarHBondContact O-N 3.1Å; Y508-I523 HydrophobicContact CE1-CB 4.46Å; Y508-I523 HydrophobicContact CE1-CG2 3.97Å
509S91.3Very high89.1Confident19 Ų1951 Ų5113%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-110125.3175.5-56.70000109.7Q453 P511 I519Q453-S509 PolarHBondContact N-O 2.76Å; Q453-S509 PolarHBondContact O-N 2.8Å; S509-P511 WeakPolarHBondContact O-CD 3.3Å; S509-I519 WeakPolarHBondContact CA-O 3.39Å
510R88.6Confident89.1Confident62 Ų6253.7 Ų53.723%0.23429%0.289CS..EExtended strand (participates in β ladder)trans-93.4108.1172.5-179.8173.8178.8172-1.8108.5E406 E408 D410 L452 G518 I519E406-R510 IonicContact OE2-NH1 3.79Å; E406-R510 IonicContact OE2-NH2 2.78Å; E406-R510 PolarHBondContact OE2-NH2 2.8Å; E408-R510 IonicContact OE2-CZ 2.68Å; E408-R510 IonicContact OE2-NH1 3.26Å; E408-R510 PolarHBondContact OE2-NH1 2.97Å; E408-R510 IonicContact OE2-NH2 3.73Å; E408-R510 PolarHBondContact OE2-NH2 3.04Å; D410-R510 VanDerWaalsContact CG-NH1 3.26Å; D410-R510 IonicContact OD1-CZ 3.77Å; D410-R510 IonicContact OD1-NH1 3.87Å; D410-R510 PolarHBondContact OD1-NH1 3.03Å; D410-R510 WeakPolarHBondContact OD2-CD 3.44Å; D410-R510 IonicContact OD2-CZ 3.13Å; D410-R510 IonicContact OD2-NE 2.94Å; D410-R510 IonicContact OD2-NH1 2.87Å; D410-R510 PolarHBondContact OD2-NH1 2.56Å; L452-R510 HydrophobicContact CD2-CB 4.4Å; R510-G518 CarbonylContact O-C 3.58Å; R510-G518 WeakPolarHBondContact O-CA 3.31Å; R510-I519 PolarHBondContact N-O 2.82Å; R510-I519 PolarHBondContact O-N 2.97Å
511P88Confident89Confident42 Ų4257.5 Ų57.527%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-57.5137.6176.3-23.535.6000110.8I451 Q453 S509I451-P511 WeakPolarHBondContact O-CD 3.43Å; Q453-P511 HydrophobicContact CG-CG 3.78Å; S509-P511 WeakPolarHBondContact O-CD 3.3Å
512T85.8Confident89.1Confident40 Ų4059 Ų5925%0.24532%0.316CS..EExtended strand (participates in β ladder)trans-136.8158.6177.462.80000109.8R514 N515 I519T512-R514 PolarHBondContact O-N 3.45Å; T512-R514 VanDerWaalsContact O-N 3.14Å; T512-N515 PolarHBondContact N-O 3.31Å; T512-N515 VanDerWaalsContact N-O 3.13Å; T512-N515 CarbonylContact O-C 3.51Å; T512-N515 PolarHBondContact O-N 2.85Å; T512-N515 VanDerWaalsContact O-N 3.08Å; T512-N515 PolarHBondContact OG1-N 2.79Å; T512-N515 PolarHBondContact OG1-O 2.77Å; T512-I519 HydrophobicContact CG2-CD1 3.7Å; T512-I519 HydrophobicContact CG2-CG1 3.93Å
513D82.5Confident89Confident176 Ų17661.4 Ų61.494%0.94133%0.328SS*.THydrogen-bonded Turntrans-59.2-28.8179.1-60.8-29.4000113
514R81.7Confident89Confident157 Ų15765.9 Ų65.959%0.59235%0.348SS*.THydrogen-bonded Turntrans-81.5-28177.9-66.8-174.5180165.85.2114E387 I391 T512E387-R514 IonicContact OE1-NH2 3.7Å; E387-R514 PolarHBondContact OE1-NH2 2.86Å; I391-R514 VanDerWaalsContact CD1-NH1 3.29Å; T512-R514 PolarHBondContact O-N 3.45Å; T512-R514 VanDerWaalsContact O-N 3.14Å
515N85.1Confident88.9Confident59 Ų5967.4 Ų67.432%0.31636%0.358SS..EExtended strand (participates in β ladder)trans-140.795.7178.3-172.66.5000108.7T512 D517 G518T512-N515 PolarHBondContact N-O 3.31Å; T512-N515 VanDerWaalsContact N-O 3.13Å; T512-N515 CarbonylContact O-C 3.51Å; T512-N515 PolarHBondContact O-N 2.85Å; T512-N515 VanDerWaalsContact O-N 3.08Å; T512-N515 PolarHBondContact OG1-N 2.79Å; T512-N515 PolarHBondContact OG1-O 2.77Å; N515-D517 PolarHBondContact O-N 2.82Å; N515-D517 WeakPolarHBondContact OD1-CB 3.44Å; N515-D517 PolarHBondContact OD1-N 2.8Å; N515-G518 PolarHBondContact ND2-O 3.34Å; N515-G518 WeakPolarHBondContact O-CA 3.28Å; N515-G518 PolarHBondContact O-N 2.8Å
516P85.3Confident88.8Confident97 Ų9772.7 Ų72.763%0.6338%0.378SS*.EExtended strand (participates in β ladder)trans-63.4-23.9179.424.3-32.5000112.4G518P516-G518 PolarHBondContact O-N 3.36Å
517D82.3Confident88.8Confident106 Ų10673.3 Ų73.357%0.56738%0.381SS*.EExtended strand (participates in β ladder)trans-72.3-13.7172-66.3-43.3000113N515N515-D517 PolarHBondContact O-N 2.82Å; N515-D517 WeakPolarHBondContact OD1-CB 3.44Å; N515-D517 PolarHBondContact OD1-N 2.8Å
518G82.8Confident88.8Confident5 Ų575.7 Ų75.75%0.05238%0.383CS..EExtended strand (participates in β ladder)trans88.9160.1173.900000115.7R510 N515 P516R510-G518 CarbonylContact O-C 3.58Å; R510-G518 WeakPolarHBondContact O-CA 3.31Å; N515-G518 PolarHBondContact ND2-O 3.34Å; N515-G518 WeakPolarHBondContact O-CA 3.28Å; N515-G518 PolarHBondContact O-N 2.8Å; P516-G518 PolarHBondContact O-N 3.36Å
519I87.3Confident88.8Confident58 Ų5874.9 Ų74.930%0.29738%0.38SS..EExtended strand (participates in β ladder)trans-90.8127.1176.8-50.2176.1000108.5S509 R510 T512 R521S509-I519 WeakPolarHBondContact CA-O 3.39Å; R510-I519 PolarHBondContact N-O 2.82Å; R510-I519 PolarHBondContact O-N 2.97Å; T512-I519 HydrophobicContact CG2-CD1 3.7Å; T512-I519 HydrophobicContact CG2-CG1 3.93Å; I519-R521 PolarHBondContact O-N 2.96Å
520P90.7Very high88.9Confident96 Ų9676 Ų7662%0.62339%0.387SS*.EExtended strand (participates in β ladder)trans-67135.8177.727.8-34000110.7Y508Y508-P520 CarbonylContact O-C 3.51Å; Y508-P520 WeakPolarHBondContact O-CA 3.5Å
521R90.6Very high89.1Confident90 Ų9073.1 Ų73.134%0.3438%0.376SS..EExtended strand (participates in β ladder)trans-135.3150.2176.4-68.7-69.9-179.4-98.12.1108.6S507 Y508 I519S507-R521 CarbonylContact C-O 3.58Å; S507-R521 VanDerWaalsContact CA-O 3.31Å; S507-R521 WeakPolarHBondContact CA-O 3.49Å; Y508-R521 HydrophobicContact CD2-CB 3.92Å; Y508-R521 HydrophobicContact CE1-CB 4.08Å; Y508-R521 HydrophobicContact CE2-CB 3.46Å; Y508-R521 VanDerWaalsContact CE2-CB 3.46Å; Y508-R521 HydrophobicContact CE2-CG 4.04Å; Y508-R521 HydrophobicContact CG-CB 4.45Å; Y508-R521 PolarHBondContact N-O 3.45Å; Y508-R521 PolarHBondContact O-N 3.1Å; I519-R521 PolarHBondContact O-N 2.96Å
522V91.9Very high89.1Confident101 Ų10175.2 Ų75.261%0.61238%0.381SS*.EExtended strand (participates in β ladder)trans-134131.4178.6-175.70000108.6V505 V506V505-V522 HydrophobicContact CG1-CG1 3.47Å; V505-V522 VanDerWaalsContact CG1-CG1 3.47Å; V506-V522 CarbonylContact O-C 3.59Å; V506-V522 VanDerWaalsContact O-CA 3.32Å; V506-V522 WeakPolarHBondContact O-CA 3.35Å
523I91.5Very high89.3Confident53 Ų5373.3 Ų73.327%0.27237%0.369SS..EExtended strand (participates in β ladder)trans-122.7147.2170.4-170169.2000108.7L411 V413 V505 V506 Y508L411-I523 HydrophobicContact CD2-CG2 3.87Å; L411-I523 HydrophobicContact CG-CG2 4.46Å; L411-I523 WeakPolarHBondContact O-CD1 3.47Å; V413-I523 HydrophobicContact CG2-CD1 4.4Å; V413-I523 HydrophobicContact CG2-CG2 3.53Å; V505-I523 CarbonylContact C-O 3.59Å; V506-I523 HydrophobicContact CB-CG2 3.87Å; V506-I523 HydrophobicContact CG2-CG2 4.46Å; V506-I523 PolarHBondContact N-O 2.86Å; V506-I523 PolarHBondContact O-N 2.84Å; Y508-I523 HydrophobicContact CE1-CB 4.46Å; Y508-I523 HydrophobicContact CE1-CG2 3.97Å
524Q91.9Very high89.7Confident129 Ų12965 Ų6560%0.60333%0.325SS*.EExtended strand (participates in β ladder)trans-132.2147.3179.262.3177.6-18.900111.1N503 A504 V505N503-Q524 PolarHBondContact ND2-OE1 2.91Å; A504-Q524 CarbonylContact O-C 3.5Å; A504-Q524 VanDerWaalsContact O-CA 3.3Å; A504-Q524 WeakPolarHBondContact O-CA 3.3Å; V505-Q524 HydrophobicContact CG2-CB 4.13Å
525C92.8Very high90.1Very high31 Ų3157.7 Ų57.721%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-138.9120.1178.6-170.50000109.7V413 V415 N503 A504V413-C525 HydrophobicContact CB-CB 4.1Å; V413-C525 HydrophobicContact CG1-CB 3.75Å; V413-C525 PolarHBondContact O-SG 3.43Å; V415-C525 HydrophobicContact CG2-CB 4.15Å; N503-C525 PolarHBondContact OD1-O 3.36Å; A504-C525 PolarHBondContact N-O 2.78Å; A504-C525 PolarHBondContact O-N 2.91Å
526K93.7Very high90.2Very high140 Ų14058.4 Ų58.461%0.60930%0.301SS*.EExtended strand (participates in β ladder)trans-84.5145.9176.6-67.7-172.7169.3-158.70111E501 G502E501-K526 IonicContact OE2-NZ 2.71Å; E501-K526 PolarHBondContact OE2-NZ 2.83Å; G502-K526 CarbonylContact O-C 3.59Å; G502-K526 WeakPolarHBondContact O-CA 3.15Å
527F94Very high90.4Very high13 Ų1357.1 Ų57.16%0.05729%0.292CS..EExtended strand (participates in β ladder)trans-137.5147.4174.157.9-87.9000110.6V415 V417 V442 V459 V461 F487 E501 G502 A504 L529V415-F527 HydrophobicContact CB-CB 3.95Å; V415-F527 HydrophobicContact CB-CD1 4.22Å; V415-F527 HydrophobicContact CB-CG 4.34Å; V415-F527 HydrophobicContact CG1-CB 3.63Å; V415-F527 HydrophobicContact CG1-CD1 3.66Å; V415-F527 HydrophobicContact CG1-CD2 4.36Å; V415-F527 HydrophobicContact CG1-CE1 4.38Å; V415-F527 HydrophobicContact CG1-CG 3.63Å; V415-F527 HydrophobicContact CG2-CD1 4.14Å; V417-F527 HydrophobicContact CG2-CB 4.12Å; V417-F527 HydrophobicContact CG2-CD2 3.92Å; V417-F527 HydrophobicContact CG2-CG 4.41Å; V442-F527 HydrophobicContact CG1-CD2 4.18Å; V442-F527 HydrophobicContact CG1-CE2 4.1Å; V442-F527 HydrophobicContact CG1-CZ 4.38Å; V442-F527 HydrophobicContact CG2-CD2 4.48Å; V442-F527 HydrophobicContact CG2-CE2 4.16Å; V459-F527 HydrophobicContact CG1-CE1 4.03Å; V459-F527 HydrophobicContact CG1-CZ 3.79Å; V461-F527 HydrophobicContact CG1-CZ 4.41Å; F487-F527 HydrophobicContact CE2-CZ 4.14Å; F487-F527 HydrophobicContact CZ-CE1 4.48Å; F487-F527 HydrophobicContact CZ-CZ 4.09Å; E501-F527 CarbonylContact C-O 3.58Å; E501-F527 WeakPolarHBondContact CA-O 3.35Å; G502-F527 PolarHBondContact N-O 3.19Å; G502-F527 VanDerWaalsContact O-CD1 3.3Å; G502-F527 WeakPolarHBondContact O-CD1 3.06Å; G502-F527 PolarHBondContact O-N 2.98Å; A504-F527 HydrophobicContact CB-CE1 4.28Å; F527-L529 HydrophobicContact CD2-CD2 4.18Å; F527-L529 HydrophobicContact CD2-CG 4.46Å; F527-L529 HydrophobicContact CE2-CD2 3.96Å; F527-L529 HydrophobicContact CE2-CG 4.33Å
528R94.1Very high90.5Very high97 Ų9753 Ų5337%0.36628%0.276SS..EExtended strand (participates in β ladder)trans-102128.8-179.3-179.9174163.1-148.70.8110.7L500 E615L500-R528 CarbonylContact O-C 3.54Å; L500-R528 WeakPolarHBondContact O-CA 3.46Å; R528-E615 IonicContact CZ-OE1 3.75Å; R528-E615 IonicContact NE-OE1 3.84Å; R528-E615 PolarHBondContact NE-OE1 3.14Å; R528-E615 IonicContact NH2-OE1 2.83Å; R528-E615 PolarHBondContact NH2-OE1 2.9Å; R528-E615 IonicContact NH2-OE2 3.94Å; R528-E615 PolarHBondContact NH2-OE2 3.24Å
529L93.8Very high90.7Very high1 Ų160.5 Ų60.51%0.00531%0.309CS..PPolyproline II helixtrans-85.2147.5176.7-64.7170.5000110.7V417 V440 V442 V461 L465 V489 L500 F527 L533V417-L529 HydrophobicContact CG1-CD2 4.47Å; V440-L529 HydrophobicContact CG1-CD2 4.05Å; V442-L529 HydrophobicContact CG2-CD2 4.07Å; V461-L529 HydrophobicContact CG1-CD1 4.33Å; L465-L529 HydrophobicContact CD1-CD1 3.64Å; V489-L529 HydrophobicContact CB-CD1 4.46Å; V489-L529 HydrophobicContact CB-CD2 4.2Å; V489-L529 HydrophobicContact CG1-CD1 3.82Å; V489-L529 HydrophobicContact CG1-CD2 4.44Å; V489-L529 HydrophobicContact CG2-CD2 4.03Å; L500-L529 HydrophobicContact CB-CB 4.34Å; L500-L529 HydrophobicContact CD2-CB 4.36Å; L500-L529 PolarHBondContact O-N 2.95Å; F527-L529 HydrophobicContact CD2-CD2 4.18Å; F527-L529 HydrophobicContact CD2-CG 4.46Å; F527-L529 HydrophobicContact CE2-CD2 3.96Å; F527-L529 HydrophobicContact CE2-CG 4.33Å; L529-L533 HydrophobicContact CB-CD2 4.48Å; L529-L533 HydrophobicContact CD1-CD2 4.38Å
530P92.4Very high90.7Very high43 Ų4360 Ų6028%0.27931%0.31SS..PPolyproline II helixtrans-71.7133.5-178.728-33.3000111.3V440 K532 L533V440-P530 HydrophobicContact CG2-CG 4.35Å; P530-K532 PolarHBondContact O-N 2.79Å; P530-L533 HydrophobicContact CG-CB 4.41Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 3.46Å
531L91.9Very high90.6Very high1 Ų157.3 Ų57.31%0.00529%0.293CS..G310 helixtrans-49.2-34.6175179.163.3000113.9L500 L533 I534 C535 F563 F566 F580 F582 I612 E615L500-L531 HydrophobicContact CD1-CB 4.25Å; L500-L531 HydrophobicContact CD1-CD1 3.87Å; L531-L533 PolarHBondContact O-N 2.91Å; L531-L533 VanDerWaalsContact O-N 3.12Å; L531-I534 PolarHBondContact O-N 3.4Å; L531-C535 HydrophobicContact CD1-CB 4.13Å; L531-C535 HydrophobicContact CG-CB 4.09Å; L531-C535 VanDerWaalsContact O-CB 3.25Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 3.4Å; L531-F563 HydrophobicContact CD2-CD1 4.37Å; L531-F563 HydrophobicContact CD2-CE1 4.01Å; L531-F566 HydrophobicContact CD2-CE2 4.04Å; L531-F566 HydrophobicContact CD2-CZ 3.99Å; L531-F566 HydrophobicContact CG-CE2 4.38Å; L531-F566 HydrophobicContact CG-CZ 3.98Å; L531-F580 HydrophobicContact CD2-CE1 4.45Å; L531-F582 HydrophobicContact CD1-CE1 4.07Å; L531-I612 HydrophobicContact CD1-CD1 4.11Å; L531-I612 HydrophobicContact CD2-CD1 3.9Å; L531-E615 HydrophobicContact CB-CG 4.16Å; L531-E615 HydrophobicContact CD1-CG 4.19Å; L531-E615 HydrophobicContact CD2-CB 4.22Å; L531-E615 HydrophobicContact CD2-CG 3.96Å; L531-E615 HydrophobicContact CG-CG 4.31Å
532K90.1Very high90.3Very high87 Ų8762.4 Ų62.438%0.37832%0.318SS..G310 helixtrans-61.5-18.8178.9-62.8-178.7-179.1-178.10113.6F421 P530 I534 C535 F566F421-K532 HydrophobicContact CE1-CB 4.5Å; F421-K532 HydrophobicContact CE2-CB 4.13Å; F421-K532 HydrophobicContact CZ-CB 3.5Å; F421-K532 WeakPolarHBondContact CZ-O 3.35Å; P530-K532 PolarHBondContact O-N 2.79Å; K532-I534 PolarHBondContact O-N 3.06Å; K532-C535 WeakPolarHBondContact CA-O 3.36Å; K532-F566 HydrophobicContact CB-CZ 4.34Å; K532-F566 HydrophobicContact CG-CE2 3.65Å; K532-F566 HydrophobicContact CG-CZ 3.67Å
533L89.5Confident90Very high0 Ų063.2 Ų63.20%032%0.323CS..G310 helixtrans-62.3-34.5178.4-174.366.9000111.6F421 P438 V440 L465 V489 L529 P530 L531 L583F421-L533 HydrophobicContact CE1-CB 4.4Å; F421-L533 HydrophobicContact CE1-CD1 4.16Å; P438-L533 WeakPolarHBondContact CG-O 3.16Å; P438-L533 WeakPolarHBondContact O-CD1 3.5Å; V440-L533 HydrophobicContact CB-CD1 4.14Å; V440-L533 HydrophobicContact CG1-CD1 3.82Å; V440-L533 HydrophobicContact CG1-CD2 3.85Å; V440-L533 HydrophobicContact CG1-CG 4.4Å; L465-L533 HydrophobicContact CD2-CD2 4.02Å; V489-L533 HydrophobicContact CB-CD2 4.48Å; V489-L533 HydrophobicContact CG1-CD2 4.34Å; L529-L533 HydrophobicContact CB-CD2 4.48Å; L529-L533 HydrophobicContact CD1-CD2 4.38Å; P530-L533 HydrophobicContact CG-CB 4.41Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 3.46Å; L531-L533 PolarHBondContact O-N 2.91Å; L531-L533 VanDerWaalsContact O-N 3.12Å; L533-L583 WeakPolarHBondContact O-CD1 3.44Å
534I89.7Confident89.9Confident2 Ų261.6 Ų61.61%0.0132%0.317CS..THydrogen-bonded Turntrans-113.9-5.4-176.863164.4000113.1L465 L491 P497 L500 L531 K532 F582 L583 L611L465-I534 HydrophobicContact CD2-CG2 3.96Å; L491-I534 HydrophobicContact CB-CG2 4.36Å; L491-I534 HydrophobicContact CD1-CG2 4.01Å; L491-I534 HydrophobicContact CD2-CB 4.5Å; L491-I534 HydrophobicContact CD2-CG2 4.31Å; L491-I534 HydrophobicContact CG-CG2 4.47Å; P497-I534 HydrophobicContact CG-CD1 3.88Å; P497-I534 HydrophobicContact CG-CG2 4.31Å; L500-I534 HydrophobicContact CD1-CD1 4.02Å; L500-I534 HydrophobicContact CD1-CG1 4.3Å; L500-I534 HydrophobicContact CD2-CD1 3.78Å; L500-I534 HydrophobicContact CD2-CG1 4.04Å; L500-I534 HydrophobicContact CD2-CG2 4.21Å; L500-I534 HydrophobicContact CG-CD1 4.11Å; L531-I534 PolarHBondContact O-N 3.4Å; K532-I534 PolarHBondContact O-N 3.06Å; I534-F582 HydrophobicContact CD1-CD1 4.21Å; I534-F582 HydrophobicContact CD1-CE1 4.01Å; I534-F582 HydrophobicContact CG1-CD1 4.23Å; I534-F582 HydrophobicContact CG1-CE1 4.26Å; I534-F582 WeakPolarHBondContact O-CA 3.37Å; I534-L583 PolarHBondContact O-N 3.38Å; I534-L611 HydrophobicContact CD1-CD1 3.61Å
535C90Very high89.9Confident2 Ų259.6 Ų59.61%0.01432%0.318CS..EExtended strand (participates in β ladder)trans-134.6135.6-168.1-1660000112.6L531 K532 F566 F582L531-C535 HydrophobicContact CD1-CB 4.13Å; L531-C535 HydrophobicContact CG-CB 4.09Å; L531-C535 VanDerWaalsContact O-CB 3.25Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 3.4Å; K532-C535 WeakPolarHBondContact CA-O 3.36Å; C535-F566 HydrophobicContact CB-CE1 3.85Å; C535-F566 HydrophobicContact CB-CZ 4.01Å; C535-F566 WeakPolarHBondContact O-CE1 3.45Å; C535-F582 HydrophobicContact CB-CD1 3.65Å; C535-F582 HydrophobicContact CB-CE1 3.8Å
536L88.5Confident90Very high75 Ų7560 Ų6039%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-111.7158.5173.6-61.4175.9000110.5G538 H581 L583L536-G538 PolarHBondContact O-N 2.95Å; L536-H581 PolarHBondContact N-O 2.88Å; L536-H581 PolarHBondContact O-N 2.93Å; L536-L583 HydrophobicContact CD1-CD2 4.38Å
537P88.4Confident90Very high69 Ų6960.2 Ų60.245%0.44832%0.317SS..EExtended strand (participates in β ladder)trans-63.1133.8168.426.9-33.8000110.4F566P537-F566 HydrophobicContact CB-CB 4.5Å; P537-F566 HydrophobicContact CB-CD1 4.44Å; P537-F566 WeakPolarHBondContact CB-O 3.48Å
538G85.6Confident90Very high21 Ų2160 Ų6022%0.21632%0.316CS..EExtended strand (participates in β ladder)trans-126.9163.8-178.300000112.6L536 G579L536-G538 PolarHBondContact O-N 2.95Å; G538-G579 PolarHBondContact N-O 3.17Å; G538-G579 CarbonylContact O-C 3.57Å; G538-G579 VanDerWaalsContact O-CA 3.27Å; G538-G579 WeakPolarHBondContact O-CA 3.12Å
539Q86.6Confident90Very high162 Ų16256.9 Ų56.976%0.75731%0.308SS*.PPolyproline II helixtrans-72.1125.7172-73.9-68.2-24.700109.8
540P87.6Confident90Very high48 Ų4856.9 Ų56.931%0.31231%0.308SS..PPolyproline II helixtrans-68.5133.6-179.527.1-33.2000111.5V577 T589P540-V577 HydrophobicContact CB-CG1 3.56Å; P540-V577 HydrophobicContact CG-CG1 3.93Å; P540-T589 HydrophobicContact CB-CG2 3.59Å
541S87.9Confident90.1Very high38 Ų3856.2 Ų56.227%0.26630%0.303SS..PPolyproline II helixtrans-83140.2173.174.70000110.3T589 Q602S541-T589 PolarHBondContact N-OG1 2.86Å; S541-T589 PolarHBondContact OG-OG1 2.82Å; S541-Q602 PolarHBondContact O-NE2 3.4Å
542K83.4Confident90.1Very high198 Ų19856.6 Ų56.686%0.86131%0.305SS*.SBendtrans-75.8-34177.4-70.8-170.6177.9179.90112.3Q602K542-Q602 PolarHBondContact O-NE2 2.86Å
543T86.8Confident90.2Very high117 Ų11755.6 Ų55.672%0.71830%0.304SS*.  trans-137.4137.1-177.946.20000108.3
544A89.9Confident90.2Very high19 Ų1957.8 Ų57.816%0.15731%0.313CS..  trans-140.9159.8172.100000109.2Q602 S603 E604A544-Q602 HydrophobicContact CB-CB 4.07Å; A544-Q602 HydrophobicContact CB-CG 4.15Å; A544-S603 WeakPolarHBondContact CB-O 3.12Å; A544-E604 WeakPolarHBondContact CA-OE1 3.15Å
545S92Very high90Very high87 Ų8761.7 Ų61.761%0.60834%0.341SS*.SBendtrans-62.6-42.9-175.5-60.20000113E604S545-E604 WeakPolarHBondContact CB-OE2 3.24Å; S545-E604 PolarHBondContact N-OE2 3.49Å; S545-E604 PolarHBondContact OG-OE2 2.8Å
546H93.6Very high89.9Confident39 Ų3963.7 Ų63.718%0.18135%0.354CS..EExtended strand (participates in β ladder)trans-111.1137-176.3-59104000111.4Q602 S603 E604 L609H546-Q602 WeakPolarHBondContact O-CA 3.37Å; H546-Q602 WeakPolarHBondContact O-CB 3.49Å; H546-S603 PolarHBondContact N-O 3.13Å; H546-S603 PolarHBondContact O-N 2.72Å; H546-E604 PolarHBondContact CE1-O 2.76Å; H546-E604 VanDerWaalsContact CE1-O 3.3Å; H546-E604 PolarHBondContact ND1-O 3.39Å; H546-L609 HydrophobicContact CB-CD1 4Å
547K93.6Very high89.9Confident146 Ų14660.6 Ų60.664%0.63534%0.338SS*.EExtended strand (participates in β ladder)trans-145.6136.7-179.766.2-169174.7-166.90112.5I601 Q602K547-I601 CarbonylContact C-O 3.48Å; K547-I601 WeakPolarHBondContact CA-O 3.5Å; K547-Q602 HydrophobicContact CB-CB 4.05Å
548I94.2Very high90Very high7 Ų759.2 Ų59.24%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-124.2140.7174.3-69169.7000108.2I550 R600 I601 F606 L609 F636 L733 L737I548-I550 HydrophobicContact CG2-CD1 3.83Å; I548-I550 HydrophobicContact CG2-CG1 4.32Å; I548-R600 CarbonylContact O-C 3.59Å; I548-R600 VanDerWaalsContact O-CA 3.32Å; I548-R600 WeakPolarHBondContact O-CA 3.41Å; I548-I601 PolarHBondContact N-O 2.84Å; I548-I601 PolarHBondContact O-N 2.88Å; I548-F606 HydrophobicContact CD1-CE2 4.13Å; I548-L609 HydrophobicContact CD1-CB 4.28Å; I548-L609 HydrophobicContact CD1-CD1 3.67Å; I548-L609 HydrophobicContact CG1-CD1 3.98Å; I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE2 4.01Å; I548-L733 HydrophobicContact CD1-CD1 3.87Å; I548-L733 HydrophobicContact CD1-CD2 3.6Å; I548-L733 HydrophobicContact CD1-CG 3.99Å; I548-L737 HydrophobicContact CD1-CD1 3.97Å; I548-L737 HydrophobicContact CG2-CD2 3.85Å
549T94.5Very high90.2Very high32 Ų3258.2 Ų58.220%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-121.2115.9177.1-55.70000109.1R598 Y599 R600 F636T549-R598 HydrophobicContact CG2-CB 4Å; T549-R598 HydrophobicContact CG2-CG 4.05Å; T549-Y599 CarbonylContact C-O 3.56Å; T549-Y599 WeakPolarHBondContact CA-O 3.49Å; T549-R600 PolarHBondContact OG1-NE 2.75Å; T549-F636 WeakPolarHBondContact O-CD2 3.44Å
550I94.8Very high90.3Very high1 Ų153 Ų531%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-96.8121175.8-55.7-58000108.1I548 R598 Y599 I601 T613 C634 F636 L737 L740I548-I550 HydrophobicContact CG2-CD1 3.83Å; I548-I550 HydrophobicContact CG2-CG1 4.32Å; I550-R598 CarbonylContact O-C 3.58Å; I550-R598 VanDerWaalsContact O-CA 3.3Å; I550-R598 WeakPolarHBondContact O-CA 3.46Å; I550-Y599 PolarHBondContact N-O 2.81Å; I550-Y599 PolarHBondContact O-N 3.26Å; I550-I601 HydrophobicContact CG1-CD1 4.1Å; I550-T613 HydrophobicContact CD1-CG2 4.34Å; I550-T613 HydrophobicContact CG1-CG2 4.16Å; I550-C634 HydrophobicContact CG2-CB 3.98Å; I550-F636 HydrophobicContact CD1-CD2 4.22Å; I550-L737 HydrophobicContact CD1-CD2 3.97Å; I550-L740 HydrophobicContact CD1-CD1 3.99Å
551D93.5Very high90.3Very high30 Ų3053.2 Ų53.216%0.1630%0.299CS..EExtended strand (participates in β ladder)trans-87.8144.5174.7-57.8-55.3000109.4R598 C634 S635 S637D551-R598 VanDerWaalsContact OD1-CB 3.31Å; D551-R598 WeakPolarHBondContact OD1-CB 3.23Å; D551-C634 CarbonylContact O-C 3.5Å; D551-C634 WeakPolarHBondContact O-CA 3.44Å; D551-S635 WeakPolarHBondContact CA-O 3.41Å; D551-S635 WeakPolarHBondContact CB-O 3.34Å; D551-S635 PolarHBondContact N-O 3.21Å; D551-S635 PolarHBondContact O-N 2.86Å; D551-S637 WeakPolarHBondContact OD2-CB 3.42Å; D551-S637 PolarHBondContact OD2-OG 3.04Å
552T92.7Very high90.5Very high9 Ų951.8 Ų51.86%0.05529%0.288CS..EExtended strand (participates in β ladder)trans-126.4159.7176.764.70000109K554 Q597 Y599 L620 F632 A633T552-K554 PolarHBondContact OG1-O 3.21Å; T552-Q597 WeakPolarHBondContact CA-O 3.46Å; T552-Q597 PolarHBondContact N-O 3.25Å; T552-Q597 WeakPolarHBondContact O-CB 3.42Å; T552-Q597 PolarHBondContact O-OE1 3.22Å; T552-Q597 PolarHBondContact OG1-O 3.4Å; T552-Y599 HydrophobicContact CG2-CD2 3.99Å; T552-Y599 HydrophobicContact CG2-CE2 3.94Å; T552-L620 HydrophobicContact CG2-CD1 4.45Å; T552-F632 HydrophobicContact CG2-CE2 3.95Å; T552-F632 HydrophobicContact CG2-CZ 4.04Å; T552-A633 WeakPolarHBondContact CA-O 3.45Å
553N91.8Very high90.8Very high65 Ų6542.3 Ų42.335%0.34825%0.247SC..SBendtrans-95.212.9175.668.9-23.7000113.7Q597 D631 A633N553-Q597 PolarHBondContact O-OE1 3.3Å; N553-D631 PolarHBondContact ND2-O 2.86Å; N553-A633 PolarHBondContact N-O 3.38Å; N553-A633 PolarHBondContact OD1-N 3.35Å; N553-A633 PolarHBondContact OD1-O 3.44Å
554K89.5Confident90.8Very high46 Ų4641 Ų4120%0.224%0.241CC..SBendtrans-128.2162-178.2-63-63.3175.3177.60110.9T552 Q597 F624 V629 D631 F632T552-K554 PolarHBondContact OG1-O 3.21Å; K554-Q597 VanDerWaalsContact O-CB 3.23Å; K554-Q597 WeakPolarHBondContact O-CB 3.24Å; K554-Q597 VanDerWaalsContact O-CG 3.24Å; K554-Q597 WeakPolarHBondContact O-CG 3.36Å; K554-F624 HydrophobicContact CB-CE1 3.91Å; K554-F624 HydrophobicContact CB-CE2 4.09Å; K554-F624 HydrophobicContact CB-CZ 3.49Å; K554-F624 VanDerWaalsContact CB-CZ 3.49Å; K554-F624 HydrophobicContact CG-CE1 4.09Å; K554-F624 HydrophobicContact CG-CE2 4.44Å; K554-F624 HydrophobicContact CG-CZ 4.03Å; K554-V629 HydrophobicContact CD-CG1 4.26Å; K554-V629 VanDerWaalsContact CE-CG1 3.47Å; K554-D631 WeakPolarHBondContact CE-OD1 3.37Å; K554-D631 IonicContact NZ-OD1 3.55Å; K554-D631 PolarHBondContact NZ-OD1 3.37Å; K554-D631 IonicContact NZ-OD2 3.01Å; K554-D631 PolarHBondContact NZ-OD2 3.4Å; K554-F632 HydrophobicContact CB-CD2 4.29Å; K554-F632 HydrophobicContact CG-CD2 3.85Å
555S85.8Confident90.5Very high84 Ų8441.7 Ų41.759%0.58725%0.25SC*.PPolyproline II helixtrans-60.6140.1175.952.30000111V557S555-V557 PolarHBondContact O-N 2.75Å; S555-V557 VanDerWaalsContact O-N 3.16Å
556P87.3Confident90.3Very high44 Ų4437.7 Ų37.729%0.28622%0.221SC..PPolyproline II helixtrans-55.4119.6176.7-24.533.1000112.2S593 S596 Y599P556-S593 VanDerWaalsContact CG-O 3.31Å; P556-S593 WeakPolarHBondContact CG-O 3.46Å; P556-S596 WeakPolarHBondContact CG-O 3.33Å; P556-Y599 WeakPolarHBondContact CA-OH 3.42Å
557V89.3Confident89.5Confident11 Ų1137.9 Ų37.97%0.06723%0.23CC..PPolyproline II helixtrans-72.9141.2169.3-176.30000109.9S555 L559 S561 L562 Y599 L620 Y623 F624S555-V557 PolarHBondContact O-N 2.75Å; S555-V557 VanDerWaalsContact O-N 3.16Å; V557-L559 PolarHBondContact O-N 2.92Å; V557-S561 WeakPolarHBondContact CG1-OG 3.5Å; V557-L562 HydrophobicContact CB-CD1 4.34Å; V557-L562 HydrophobicContact CB-CG 4.47Å; V557-L562 HydrophobicContact CG1-CD1 4.37Å; V557-L562 HydrophobicContact CG1-CD2 3.93Å; V557-L562 HydrophobicContact CG1-CG 3.97Å; V557-Y599 WeakPolarHBondContact CA-OH 3.29Å; V557-Y599 PolarHBondContact N-OH 3.08Å; V557-Y599 PolarHBondContact O-OH 3.22Å; V557-L620 HydrophobicContact CB-CD2 4.18Å; V557-L620 HydrophobicContact CG2-CD2 4.05Å; V557-Y623 HydrophobicContact CB-CE1 4.42Å; V557-Y623 HydrophobicContact CG1-CD1 4.02Å; V557-Y623 HydrophobicContact CG1-CD2 4.23Å; V557-Y623 HydrophobicContact CG1-CE1 3.79Å; V557-Y623 HydrophobicContact CG1-CE2 4Å; V557-Y623 HydrophobicContact CG1-CG 4.24Å; V557-Y623 HydrophobicContact CG2-CD1 3.79Å; V557-Y623 HydrophobicContact CG2-CE1 3.68Å; V557-F624 HydrophobicContact CG2-CE1 4.21Å; V557-F624 HydrophobicContact CG2-CE2 3.85Å; V557-F624 HydrophobicContact CG2-CZ 3.47Å; V557-F624 VanDerWaalsContact CG2-CZ 3.47Å
558S89.1Confident88.1Confident39 Ų3933 Ų3327%0.27321%0.214SC..PPolyproline II helixtrans-59.2129.5175.8172.40000111.3L560 S561 L562S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 PolarHBondContact OG-N 3.08Å; S558-S561 PolarHBondContact O-N 2.89Å; S558-S561 PolarHBondContact O-OG 3.33Å; S558-L562 PolarHBondContact O-N 3.21Å
559L90.4Very high86.2Confident0 Ų042.6 Ų42.60%026%0.259CS..Hα-helixtrans-62.5-30.2-179.5-65.6-179.5000112.2V557 S561 L562 F563 V575 N576 M578 V590 A592 Y599V557-L559 PolarHBondContact O-N 2.92Å; L559-S561 PolarHBondContact O-N 3.31Å; L559-L562 HydrophobicContact CD2-CD1 4.39Å; L559-L562 PolarHBondContact O-N 3.49Å; L559-F563 PolarHBondContact O-N 3.11Å; L559-V575 PolarHBondContact N-O 3.45Å; L559-N576 WeakPolarHBondContact CD1-O 3.13Å; L559-M578 HydrophobicContact CB-CB 4.33Å; L559-M578 HydrophobicContact CB-CE 4.19Å; L559-M578 HydrophobicContact CD1-CB 3.87Å; L559-V590 HydrophobicContact CD1-CB 4.31Å; L559-V590 HydrophobicContact CD1-CG1 4.06Å; L559-V590 WeakPolarHBondContact CD1-O 3.48Å; L559-V590 HydrophobicContact CD2-CG1 3.8Å; L559-A592 HydrophobicContact CD1-CB 4.35Å; L559-A592 HydrophobicContact CD2-CB 4.28Å; L559-A592 HydrophobicContact CG-CB 4.07Å; L559-Y599 HydrophobicContact CD2-CD1 4.15Å; L559-Y599 HydrophobicContact CD2-CE1 4.02Å
560L88.2Confident84.2Confident52 Ų5245.9 Ų45.927%0.27228%0.283SS..Hα-helixtrans-60.3-33.2173.5-69.5164.4000112.5S558 P564 A567 Q574 V575 M578S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 PolarHBondContact OG-N 3.08Å; L560-P564 VanDerWaalsContact O-CA 3.28Å; L560-P564 WeakPolarHBondContact O-CA 3.5Å; L560-A567 HydrophobicContact CD2-CB 3.58Å; L560-Q574 HydrophobicContact CD2-CB 3.87Å; L560-Q574 HydrophobicContact CG-CB 4.26Å; L560-V575 HydrophobicContact CD1-CB 4.37Å; L560-V575 HydrophobicContact CD1-CG2 3.7Å; L560-M578 HydrophobicContact CD2-CE 4.27Å
561S88.5Confident82.4Confident53 Ų5349.6 Ų49.637%0.37130%0.303SS..Hα-helixtrans-78.3-30.9178.669.60000112.9V557 S558 L559V557-S561 WeakPolarHBondContact CG1-OG 3.5Å; S558-S561 PolarHBondContact O-N 2.89Å; S558-S561 PolarHBondContact O-OG 3.33Å; L559-S561 PolarHBondContact O-N 3.31Å
562L90.8Very high80.7Confident8 Ų855.4 Ų55.44%0.04233%0.334CS..Hα-helixtrans-78.7-37.5176.9-60.2175.1000111.2V557 S558 L559 P564 L616 R619 L620 Y623V557-L562 HydrophobicContact CB-CD1 4.34Å; V557-L562 HydrophobicContact CB-CG 4.47Å; V557-L562 HydrophobicContact CG1-CD1 4.37Å; V557-L562 HydrophobicContact CG1-CD2 3.93Å; V557-L562 HydrophobicContact CG1-CG 3.97Å; S558-L562 PolarHBondContact O-N 3.21Å; L559-L562 HydrophobicContact CD2-CD1 4.39Å; L559-L562 PolarHBondContact O-N 3.49Å; L562-P564 VanDerWaalsContact C-CD 3.41Å; L562-P564 WeakPolarHBondContact O-CD 3.29Å; L562-L616 HydrophobicContact CD1-CD1 3.89Å; L562-R619 HydrophobicContact CD2-CB 4.35Å; L562-R619 WeakPolarHBondContact O-CD 3.3Å; L562-R619 PolarHBondContact O-NH1 2.78Å; L562-L620 HydrophobicContact CD1-CD2 3.66Å; L562-L620 HydrophobicContact CD1-CG 4.05Å; L562-L620 HydrophobicContact CD2-CD2 4.05Å; L562-L620 HydrophobicContact CD2-CG 4.45Å; L562-Y623 HydrophobicContact CD2-CD2 4.48Å; L562-Y623 HydrophobicContact CD2-CG 4.29Å
563F91.2Very high79.2Confident0 Ų061.4 Ų61.40%037%0.365CS..  trans-124.961.4-174.7-61.8-81.2000112L531 L559 G565 F566 M578 F580 E615 L616 R619L531-F563 HydrophobicContact CD2-CD1 4.37Å; L531-F563 HydrophobicContact CD2-CE1 4.01Å; L559-F563 PolarHBondContact O-N 3.11Å; F563-G565 PolarHBondContact O-N 2.98Å; F563-G565 VanDerWaalsContact O-N 3.1Å; F563-F566 HydrophobicContact CB-CB 4.24Å; F563-F566 HydrophobicContact CB-CD2 4.01Å; F563-F566 HydrophobicContact CD1-CD2 4.2Å; F563-F566 HydrophobicContact CD1-CE2 4.46Å; F563-F566 PolarHBondContact O-N 2.84Å; F563-M578 HydrophobicContact CB-CE 4.13Å; F563-M578 HydrophobicContact CB-SD 3.45Å; F563-M578 WeakPolarHBondContact CB-SD 3.41Å; F563-M578 HydrophobicContact CD2-SD 4.23Å; F563-M578 HydrophobicContact CG-SD 4.08Å; F563-F580 HydrophobicContact CB-CZ 4.44Å; F563-F580 AromaticContact CD1-CE1 3.94Å; F563-F580 HydrophobicContact CD1-CE1 3.94Å; F563-F580 AromaticContact CD1-CZ 3.96Å; F563-F580 HydrophobicContact CD1-CZ 3.96Å; F563-F580 AromaticContact CD2-CZ 4Å; F563-F580 HydrophobicContact CD2-CZ 4Å; F563-F580 HydrophobicContact CE1-CE1 4.31Å; F563-F580 HydrophobicContact CE1-CZ 4.18Å; F563-F580 HydrophobicContact CE2-CZ 4.21Å; F563-F580 HydrophobicContact CG-CE1 4.18Å; F563-F580 AromaticContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CZ-CZ 4.3Å; F563-E615 HydrophobicContact CE1-CB 4.24Å; F563-E615 HydrophobicContact CZ-CB 4.47Å; F563-L616 HydrophobicContact CE2-CD1 4.03Å; F563-L616 HydrophobicContact CZ-CB 4.41Å; F563-R619 VanDerWaalsContact CD1-NH1 3.26Å
564P86.6Confident77.9Confident90 Ų9059.3 Ų59.358%0.58435%0.354SS*.G310 helixtrans-61.3-28.8-171.223.6-34.8000113.9L560 L562L560-P564 VanDerWaalsContact O-CA 3.28Å; L560-P564 WeakPolarHBondContact O-CA 3.5Å; L562-P564 VanDerWaalsContact C-CD 3.41Å; L562-P564 WeakPolarHBondContact O-CD 3.29Å
565G83.6Confident77.1Confident33 Ų3359.4 Ų59.434%0.3436%0.358SS..G310 helixtrans-90.68.1178.800000116F563F563-G565 PolarHBondContact O-N 2.98Å; F563-G565 VanDerWaalsContact O-N 3.1Å
566F86.4Confident77Confident2 Ų257.1 Ų57.11%0.00934%0.339CS..G310 helixtrans-109.48.5171.8-67.9-89.5000111.7L531 K532 C535 P537 F563 M578 F580L531-F566 HydrophobicContact CD2-CE2 4.04Å; L531-F566 HydrophobicContact CD2-CZ 3.99Å; L531-F566 HydrophobicContact CG-CE2 4.38Å; L531-F566 HydrophobicContact CG-CZ 3.98Å; K532-F566 HydrophobicContact CB-CZ 4.34Å; K532-F566 HydrophobicContact CG-CE2 3.65Å; K532-F566 HydrophobicContact CG-CZ 3.67Å; C535-F566 HydrophobicContact CB-CE1 3.85Å; C535-F566 HydrophobicContact CB-CZ 4.01Å; C535-F566 WeakPolarHBondContact O-CE1 3.45Å; P537-F566 HydrophobicContact CB-CB 4.5Å; P537-F566 HydrophobicContact CB-CD1 4.44Å; P537-F566 WeakPolarHBondContact CB-O 3.48Å; F563-F566 HydrophobicContact CB-CB 4.24Å; F563-F566 HydrophobicContact CB-CD2 4.01Å; F563-F566 HydrophobicContact CD1-CD2 4.2Å; F563-F566 HydrophobicContact CD1-CE2 4.46Å; F563-F566 PolarHBondContact O-N 2.84Å; F566-M578 HydrophobicContact CB-SD 3.73Å; F566-F580 HydrophobicContact CB-CE1 4.18Å; F566-F580 AromaticContact CD1-CD1 3.76Å; F566-F580 HydrophobicContact CD1-CD1 3.76Å; F566-F580 AromaticContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD2-CE1 4.04Å; F566-F580 AromaticContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CE1 4.27Å; F566-F580 HydrophobicContact CE2-CE1 4.39Å; F566-F580 HydrophobicContact CG-CD1 4.13Å; F566-F580 AromaticContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CZ-CD1 4.46Å; F566-F580 HydrophobicContact CZ-CE1 4.5Å
567A77Confident77.1Confident43 Ų4357.3 Ų57.336%0.35534%0.339SS..  trans-73.2129.7174.500000110.5L560L560-A567 HydrophobicContact CD2-CB 3.58Å
568S65.1Low77.2Confident43 Ų4356.8 Ų56.830%0.30134%0.336SS..  trans-84.5144166.577.50000109.3S570 Q574S568-S570 PolarHBondContact O-N 2.86Å; S568-Q574 PolarHBondContact OG-NE2 2.91Å
569Q54.7Low77.3Confident210 Ų21055.1 Ų55.198%0.98133%0.325SS*.THydrogen-bonded Turntrans-66.17.5-165.8-72-176.8-7.500116
570S52.5Low77.5Confident100 Ų10055.2 Ų55.270%0.69933%0.325SS*.THydrogen-bonded Turntrans-145.69.4-166.659.20000118.9S568S568-S570 PolarHBondContact O-N 2.86Å
571D56.1Low77.6Confident79 Ų7955.4 Ų55.442%0.42233%0.325SS..  trans-129.7111.3-176.4-78-28.6000114.6D573 Q574D571-D573 HydrophobicContact CB-CB 4.42Å; D571-D573 PolarHBondContact O-N 3.07Å; D571-D573 VanDerWaalsContact O-N 3.13Å; D571-Q574 HydrophobicContact CB-CG 4.1Å; D571-Q574 PolarHBondContact O-N 3.04Å
572D58.5Low77.7Confident153 Ų15353 Ų5382%0.81831%0.307SS*.G310 helixtrans-59.1-15.9165.7-121.8-2000112Q574 V575D572-Q574 PolarHBondContact O-N 2.87Å; D572-V575 VanDerWaalsContact O-CG2 3.27Å; D572-V575 WeakPolarHBondContact O-CG2 3.37Å
573D61Low77.5Confident134 Ų13453.2 Ų53.272%0.71731%0.309SS*.G310 helixtrans-69.3-18.6176.6-80.2-21.2000113.4D571 V575D571-D573 HydrophobicContact CB-CB 4.42Å; D571-D573 PolarHBondContact O-N 3.07Å; D571-D573 VanDerWaalsContact O-N 3.13Å; D573-V575 PolarHBondContact O-N 3.36Å
574Q64.2Low76.9Confident22 Ų2254.8 Ų54.810%0.10333%0.325CS..G310 helixtrans-75.7-4.3-177.1-65.4-164.4-8.400114.9L560 S568 D571 D572 N576 V577L560-Q574 HydrophobicContact CD2-CB 3.87Å; L560-Q574 HydrophobicContact CG-CB 4.26Å; S568-Q574 PolarHBondContact OG-NE2 2.91Å; D571-Q574 HydrophobicContact CB-CG 4.1Å; D571-Q574 PolarHBondContact O-N 3.04Å; D572-Q574 PolarHBondContact O-N 2.87Å; Q574-N576 PolarHBondContact O-N 2.97Å; Q574-V577 WeakPolarHBondContact CA-O 3.31Å
575V71.9Confident76.8Confident47 Ų4752.5 Ų52.529%0.28532%0.317SS..G310 helixtrans-58.5-35.9177.7177.10000111.4L559 L560 D572 D573L559-V575 PolarHBondContact N-O 3.45Å; L560-V575 HydrophobicContact CD1-CB 4.37Å; L560-V575 HydrophobicContact CD1-CG2 3.7Å; D572-V575 VanDerWaalsContact O-CG2 3.27Å; D572-V575 WeakPolarHBondContact O-CG2 3.37Å; D573-V575 PolarHBondContact O-N 3.36Å
576N84.6Confident77Confident37 Ų3751.9 Ų51.920%0.19831%0.309CS..THydrogen-bonded Turntrans-122-10.3-173.3-61.8-75.2000114.5L559 Q574 L591 A592 K594L559-N576 WeakPolarHBondContact CD1-O 3.13Å; Q574-N576 PolarHBondContact O-N 2.97Å; N576-L591 CarbonylContact O-C 3.52Å; N576-L591 WeakPolarHBondContact O-CA 3.26Å; N576-A592 PolarHBondContact O-N 3.08Å; N576-K594 HydrophobicContact CB-CG 4.45Å; N576-K594 WeakPolarHBondContact ND2-CE 3.32Å
577V90.2Very high77.3Confident47 Ų4759.9 Ų59.929%0.28534%0.339SS..EExtended strand (participates in β ladder)trans-137.3128.5-179.5-177.80000109.1P540 Q574 T589 V590 L591P540-V577 HydrophobicContact CB-CG1 3.56Å; P540-V577 HydrophobicContact CG-CG1 3.93Å; Q574-V577 WeakPolarHBondContact CA-O 3.31Å; V577-T589 HydrophobicContact CG1-CG2 4.04Å; V577-V590 WeakPolarHBondContact CA-O 3.41Å; V577-L591 HydrophobicContact CG1-CD2 4.46Å; V577-L591 HydrophobicContact CG1-CG 4.36Å; V577-L591 HydrophobicContact CG2-CD2 4.11Å; V577-L591 HydrophobicContact CG2-CG 4.37Å
578M91Very high78.1Confident1 Ų157.9 Ų57.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-136134.8179.6-169.6169.1-77.200110.8L559 L560 F563 F566 F580 T589 V590L559-M578 HydrophobicContact CB-CB 4.33Å; L559-M578 HydrophobicContact CB-CE 4.19Å; L559-M578 HydrophobicContact CD1-CB 3.87Å; L560-M578 HydrophobicContact CD2-CE 4.27Å; F563-M578 HydrophobicContact CB-CE 4.13Å; F563-M578 HydrophobicContact CB-SD 3.45Å; F563-M578 WeakPolarHBondContact CB-SD 3.41Å; F563-M578 HydrophobicContact CD2-SD 4.23Å; F563-M578 HydrophobicContact CG-SD 4.08Å; F566-M578 HydrophobicContact CB-SD 3.73Å; M578-F580 HydrophobicContact CB-CE2 4.14Å; M578-F580 HydrophobicContact CB-CZ 4.41Å; M578-F580 HydrophobicContact CG-CE1 4.47Å; M578-F580 HydrophobicContact CG-CE2 3.94Å; M578-F580 HydrophobicContact CG-CZ 3.86Å; M578-F580 HydrophobicContact SD-CE1 4.15Å; M578-F580 HydrophobicContact SD-CE2 4.31Å; M578-F580 HydrophobicContact SD-CZ 3.64Å; M578-T589 WeakPolarHBondContact O-CA 3.37Å; M578-V590 PolarHBondContact N-O 3.17Å; M578-V590 PolarHBondContact O-N 3.39Å
579G91.8Very high79.5Confident3 Ų355.9 Ų55.93%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-104.8141.2175.400000111.4G538 I588G538-G579 PolarHBondContact N-O 3.17Å; G538-G579 CarbonylContact O-C 3.57Å; G538-G579 VanDerWaalsContact O-CA 3.27Å; G538-G579 WeakPolarHBondContact O-CA 3.12Å; G579-I588 CarbonylContact C-O 3.58Å; G579-I588 WeakPolarHBondContact CA-O 3.47Å
580F92.8Very high81.4Confident3 Ų345.9 Ų45.91%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-122.7138.7179.7-63-86.7000108.6L531 F563 F566 M578 R587 I588 V590 I612L531-F580 HydrophobicContact CD2-CE1 4.45Å; F563-F580 HydrophobicContact CB-CZ 4.44Å; F563-F580 AromaticContact CD1-CE1 3.94Å; F563-F580 HydrophobicContact CD1-CE1 3.94Å; F563-F580 AromaticContact CD1-CZ 3.96Å; F563-F580 HydrophobicContact CD1-CZ 3.96Å; F563-F580 AromaticContact CD2-CZ 4Å; F563-F580 HydrophobicContact CD2-CZ 4Å; F563-F580 HydrophobicContact CE1-CE1 4.31Å; F563-F580 HydrophobicContact CE1-CZ 4.18Å; F563-F580 HydrophobicContact CE2-CZ 4.21Å; F563-F580 HydrophobicContact CG-CE1 4.18Å; F563-F580 AromaticContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CZ-CZ 4.3Å; F566-F580 HydrophobicContact CB-CE1 4.18Å; F566-F580 AromaticContact CD1-CD1 3.76Å; F566-F580 HydrophobicContact CD1-CD1 3.76Å; F566-F580 AromaticContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD2-CE1 4.04Å; F566-F580 AromaticContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CE1 4.27Å; F566-F580 HydrophobicContact CE2-CE1 4.39Å; F566-F580 HydrophobicContact CG-CD1 4.13Å; F566-F580 AromaticContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CZ-CD1 4.46Å; F566-F580 HydrophobicContact CZ-CE1 4.5Å; M578-F580 HydrophobicContact CB-CE2 4.14Å; M578-F580 HydrophobicContact CB-CZ 4.41Å; M578-F580 HydrophobicContact CG-CE1 4.47Å; M578-F580 HydrophobicContact CG-CE2 3.94Å; M578-F580 HydrophobicContact CG-CZ 3.86Å; M578-F580 HydrophobicContact SD-CE1 4.15Å; M578-F580 HydrophobicContact SD-CE2 4.31Å; M578-F580 HydrophobicContact SD-CZ 3.64Å; F580-R587 WeakPolarHBondContact O-CA 3.25Å; F580-I588 HydrophobicContact CB-CB 4.3Å; F580-I588 PolarHBondContact N-O 2.76Å; F580-I588 PolarHBondContact O-N 2.91Å; F580-V590 HydrophobicContact CD2-CG2 4.09Å; F580-V590 HydrophobicContact CE2-CB 4.09Å; F580-V590 HydrophobicContact CE2-CG2 3.55Å; F580-I612 HydrophobicContact CB-CD1 4.13Å; F580-I612 HydrophobicContact CD1-CD1 3.92Å; F580-I612 HydrophobicContact CD2-CD1 4.25Å; F580-I612 HydrophobicContact CD2-CG2 4.18Å; F580-I612 HydrophobicContact CE1-CD1 4.41Å; F580-I612 HydrophobicContact CE2-CG2 4.13Å; F580-I612 HydrophobicContact CG-CD1 3.83Å; F580-I612 HydrophobicContact CG-CG1 4.46Å
581H91.1Very high83.3Confident56 Ų5643.1 Ų43.126%0.25924%0.239SC..EExtended strand (participates in β ladder)trans-125.7111.2175.9-176.954000109.1L536 G585 A586L536-H581 PolarHBondContact N-O 2.88Å; L536-H581 PolarHBondContact O-N 2.93Å; H581-G585 PolarHBondContact CE1-O 3.32Å; H581-A586 WeakPolarHBondContact CA-O 3.27Å; H581-A586 PolarHBondContact ND1-O 2.76Å
582F90.8Very high85Confident1 Ų139.7 Ų39.70%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-71.5147.2172.6-69.2-46.3000110.1T496 L531 I534 C535 G584 G585 A586 I588 L611 I612T496-F582 HydrophobicContact CG2-CB 3.94Å; T496-F582 HydrophobicContact CG2-CD2 3.37Å; T496-F582 HydrophobicContact CG2-CE2 3.94Å; T496-F582 HydrophobicContact CG2-CG 3.72Å; L531-F582 HydrophobicContact CD1-CE1 4.07Å; I534-F582 HydrophobicContact CD1-CD1 4.21Å; I534-F582 HydrophobicContact CD1-CE1 4.01Å; I534-F582 HydrophobicContact CG1-CD1 4.23Å; I534-F582 HydrophobicContact CG1-CE1 4.26Å; I534-F582 WeakPolarHBondContact O-CA 3.37Å; C535-F582 HydrophobicContact CB-CD1 3.65Å; C535-F582 HydrophobicContact CB-CE1 3.8Å; F582-G584 PolarHBondContact O-N 2.86Å; F582-G584 VanDerWaalsContact O-N 3.07Å; F582-G585 PolarHBondContact O-N 3.06Å; F582-A586 HydrophobicContact CB-CB 4.22Å; F582-A586 HydrophobicContact CD2-CB 3.86Å; F582-A586 PolarHBondContact N-O 3.43Å; F582-I588 HydrophobicContact CD2-CD1 3.34Å; F582-I588 HydrophobicContact CE2-CD1 3.22Å; F582-I588 HydrophobicContact CE2-CG1 4.22Å; F582-I588 HydrophobicContact CG-CD1 4.19Å; F582-I588 HydrophobicContact CZ-CD1 3.97Å; F582-L611 HydrophobicContact CE1-CD1 4.29Å; F582-L611 HydrophobicContact CE2-CD1 4.29Å; F582-L611 HydrophobicContact CZ-CB 3.94Å; F582-L611 HydrophobicContact CZ-CD1 3.84Å; F582-I612 HydrophobicContact CE1-CD1 4.19Å; F582-I612 HydrophobicContact CZ-CD1 3.93Å; F582-I612 HydrophobicContact CZ-CG1 3.94Å
583L86.3Confident86.5Confident14 Ų1433.5 Ų33.57%0.07319%0.19CC..THydrogen-bonded Turntrans-55.7-25.1176.3-84.7154.9000112.5V432 T434 P438 L491 L533 I534 L536 G585V432-L583 HydrophobicContact CG1-CB 4.18Å; V432-L583 HydrophobicContact CG1-CD2 4.3Å; V432-L583 WeakPolarHBondContact CG1-O 2.96Å; T434-L583 HydrophobicContact CG2-CD2 4.48Å; P438-L583 HydrophobicContact CG-CD1 4.3Å; L491-L583 HydrophobicContact CD2-CB 3.62Å; L491-L583 HydrophobicContact CD2-CD1 4.19Å; L533-L583 WeakPolarHBondContact O-CD1 3.44Å; I534-L583 PolarHBondContact O-N 3.38Å; L536-L583 HydrophobicContact CD1-CD2 4.38Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 3.25Å
584G78.4Confident87.6Confident33 Ų3335.2 Ų35.234%0.3419%0.191SC..THydrogen-bonded Turntrans-74.6-5.117300000116.8S494 F582S494-G584 CarbonylContact O-C 3.55Å; S494-G584 WeakPolarHBondContact O-CA 3.41Å; F582-G584 PolarHBondContact O-N 2.86Å; F582-G584 VanDerWaalsContact O-N 3.07Å
585G84.3Confident88.5Confident41 Ų4140.5 Ų40.542%0.42323%0.225SC..SBendtrans106.5-20.7177.800000115H581 F582 L583H581-G585 PolarHBondContact CE1-O 3.32Å; F582-G585 PolarHBondContact O-N 3.06Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 3.25Å
586A88.4Confident89.2Confident20 Ų2040.3 Ų40.317%0.16523%0.226CC..  trans-60145.9179.700000113.1H581 F582 I588 D608H581-A586 WeakPolarHBondContact CA-O 3.27Å; H581-A586 PolarHBondContact ND1-O 2.76Å; F582-A586 HydrophobicContact CB-CB 4.22Å; F582-A586 HydrophobicContact CD2-CB 3.86Å; F582-A586 PolarHBondContact N-O 3.43Å; A586-I588 HydrophobicContact CB-CD1 4.37Å; A586-D608 VanDerWaalsContact CB-CG 3.47Å; A586-D608 WeakPolarHBondContact CB-OD2 3.48Å
587R91.9Very high89.5Confident171 Ų17143 Ų4365%0.64524%0.237SC*.EExtended strand (participates in β ladder)trans-129.1122.7-175.9-68.1-177.9179.5174.70.7111F580 S603F580-R587 WeakPolarHBondContact O-CA 3.25Å; R587-S603 PolarHBondContact O-OG 2.85Å; R587-S603 VanDerWaalsContact O-OG 3.13Å
588I94.2Very high89.7Confident1 Ų144.9 Ų44.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-125.7138.5-175.1-52.888.8000108.8G579 F580 F582 A586 I601 Q602 D608 I612G579-I588 CarbonylContact C-O 3.58Å; G579-I588 WeakPolarHBondContact CA-O 3.47Å; F580-I588 HydrophobicContact CB-CB 4.3Å; F580-I588 PolarHBondContact N-O 2.76Å; F580-I588 PolarHBondContact O-N 2.91Å; F582-I588 HydrophobicContact CD2-CD1 3.34Å; F582-I588 HydrophobicContact CE2-CD1 3.22Å; F582-I588 HydrophobicContact CE2-CG1 4.22Å; F582-I588 HydrophobicContact CG-CD1 4.19Å; F582-I588 HydrophobicContact CZ-CD1 3.97Å; A586-I588 HydrophobicContact CB-CD1 4.37Å; I588-I601 HydrophobicContact CG2-CG2 3.59Å; I588-Q602 WeakPolarHBondContact CA-O 3.47Å; I588-D608 HydrophobicContact CD1-CB 4.19Å; I588-D608 HydrophobicContact CG1-CB 3.97Å; I588-I612 HydrophobicContact CB-CG1 4.07Å; I588-I612 HydrophobicContact CD1-CG1 4.5Å; I588-I612 HydrophobicContact CG1-CG1 4.29Å; I588-I612 HydrophobicContact CG2-CB 4.09Å; I588-I612 HydrophobicContact CG2-CG1 3.9Å; I588-I612 HydrophobicContact CG2-CG2 4.18Å
589T94.4Very high89.8Confident1 Ų144.9 Ų44.91%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-121.6131.9177.6-56.20000110.4P540 S541 V577 M578 L591 I601 Q602P540-T589 HydrophobicContact CB-CG2 3.59Å; S541-T589 PolarHBondContact N-OG1 2.86Å; S541-T589 PolarHBondContact OG-OG1 2.82Å; V577-T589 HydrophobicContact CG1-CG2 4.04Å; M578-T589 WeakPolarHBondContact O-CA 3.37Å; T589-L591 HydrophobicContact CG2-CD1 3.97Å; T589-L591 HydrophobicContact CG2-CG 4.24Å; T589-I601 CarbonylContact O-C 3.59Å; T589-I601 WeakPolarHBondContact O-CA 3.48Å; T589-Q602 PolarHBondContact N-O 3.26Å; T589-Q602 PolarHBondContact O-N 3.37Å
590V94.3Very high89.9Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-110.2127.5173.6-178.60000108.9L559 V577 M578 F580 R600 I601 I612 L616L559-V590 HydrophobicContact CD1-CB 4.31Å; L559-V590 HydrophobicContact CD1-CG1 4.06Å; L559-V590 WeakPolarHBondContact CD1-O 3.48Å; L559-V590 HydrophobicContact CD2-CG1 3.8Å; V577-V590 WeakPolarHBondContact CA-O 3.41Å; M578-V590 PolarHBondContact N-O 3.17Å; M578-V590 PolarHBondContact O-N 3.39Å; F580-V590 HydrophobicContact CD2-CG2 4.09Å; F580-V590 HydrophobicContact CE2-CB 4.09Å; F580-V590 HydrophobicContact CE2-CG2 3.55Å; V590-R600 CarbonylContact C-O 3.52Å; V590-R600 WeakPolarHBondContact CA-O 3.2Å; V590-I601 HydrophobicContact CG2-CG1 4.22Å; V590-I601 HydrophobicContact CG2-CG2 4.32Å; V590-I612 HydrophobicContact CG2-CG2 3.35Å; V590-L616 HydrophobicContact CG1-CD2 4.43Å
591L93Very high90Very high42 Ų4248.5 Ų48.522%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-118.2117.2176.4-5599.6000109.8N576 V577 T589 Y599 R600 Q602N576-L591 CarbonylContact O-C 3.52Å; N576-L591 WeakPolarHBondContact O-CA 3.26Å; V577-L591 HydrophobicContact CG1-CD2 4.46Å; V577-L591 HydrophobicContact CG1-CG 4.36Å; V577-L591 HydrophobicContact CG2-CD2 4.11Å; V577-L591 HydrophobicContact CG2-CG 4.37Å; T589-L591 HydrophobicContact CG2-CD1 3.97Å; T589-L591 HydrophobicContact CG2-CG 4.24Å; L591-Y599 CarbonylContact O-C 3.46Å; L591-Y599 WeakPolarHBondContact O-CA 3.35Å; L591-R600 HydrophobicContact CB-CB 4.41Å; L591-R600 HydrophobicContact CD1-CB 4.38Å; L591-R600 HydrophobicContact CD1-CG 4.46Å; L591-R600 PolarHBondContact N-O 3.23Å; L591-R600 PolarHBondContact O-N 3.45Å; L591-Q602 HydrophobicContact CD1-CG 4.1Å
592A92.4Very high90.2Very high7 Ų746.4 Ų46.46%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-82.1124.3167.100000109.4L559 N576 K594 Y599L559-A592 HydrophobicContact CD1-CB 4.35Å; L559-A592 HydrophobicContact CD2-CB 4.28Å; L559-A592 HydrophobicContact CG-CB 4.07Å; N576-A592 PolarHBondContact O-N 3.08Å; A592-K594 PolarHBondContact O-N 2.95Å; A592-Y599 HydrophobicContact CB-CD1 3.85Å; A592-Y599 HydrophobicContact CB-CE1 3.68Å
593S89.4Confident90.4Very high22 Ų2246.4 Ų46.415%0.15424%0.243CC..  trans-76.1116.3-176.5-179.10000111.4P556 T595 S596 R598P556-S593 VanDerWaalsContact CG-O 3.31Å; P556-S593 WeakPolarHBondContact CG-O 3.46Å; S593-T595 PolarHBondContact O-N 2.96Å; S593-T595 VanDerWaalsContact O-N 3.14Å; S593-S596 WeakPolarHBondContact CB-O 3.14Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 WeakPolarHBondContact OG-CB 3.35Å; S593-S596 PolarHBondContact OG-N 3.27Å; S593-R598 VanDerWaalsContact CB-O 3.23Å; S593-R598 WeakPolarHBondContact CB-O 3.37Å; S593-R598 PolarHBondContact N-O 3.12Å
594K83.8Confident90.8Very high170 Ų17050.2 Ų50.274%0.73926%0.26SS*.THydrogen-bonded Turntrans-60.7-25.9178.1-64.1-178.9178.3-179.10114.3N576 A592N576-K594 HydrophobicContact CB-CG 4.45Å; N576-K594 WeakPolarHBondContact ND2-CE 3.32Å; A592-K594 PolarHBondContact O-N 2.95Å
595T83.7Confident91.4Very high133 Ų13353.2 Ų53.282%0.81627%0.265SS*.THydrogen-bonded Turntrans-110.3-2.9-171.8560000114.3S593S593-T595 PolarHBondContact O-N 2.96Å; S593-T595 VanDerWaalsContact O-N 3.14Å
596S86.8Confident91.9Very high44 Ų4451.6 Ų51.631%0.30825%0.246SC..SBendtrans-148.6153.2-172.4-177.50000109.7P556 S593 R598P556-S596 WeakPolarHBondContact CG-O 3.33Å; S593-S596 WeakPolarHBondContact CB-O 3.14Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 WeakPolarHBondContact OG-CB 3.35Å; S593-S596 PolarHBondContact OG-N 3.27Å; S596-R598 PolarHBondContact O-N 3.44Å; S596-R598 WeakPolarHBondContact OG-CD 3.35Å
597Q91.2Very high92.2Very high92 Ų9251 Ų5143%0.4324%0.24SC..SBendtrans-78.749.2-179-61.3179.5-3.500112.2T552 N553 K554T552-Q597 WeakPolarHBondContact CA-O 3.46Å; T552-Q597 PolarHBondContact N-O 3.25Å; T552-Q597 WeakPolarHBondContact O-CB 3.42Å; T552-Q597 PolarHBondContact O-OE1 3.22Å; T552-Q597 PolarHBondContact OG1-O 3.4Å; N553-Q597 PolarHBondContact O-OE1 3.3Å; K554-Q597 VanDerWaalsContact O-CB 3.23Å; K554-Q597 WeakPolarHBondContact O-CB 3.24Å; K554-Q597 VanDerWaalsContact O-CG 3.24Å; K554-Q597 WeakPolarHBondContact O-CG 3.36Å
598R92.7Very high92.2Very high88 Ų8843.4 Ų43.433%0.33221%0.212SC..EExtended strand (participates in β ladder)trans-139.9151.5-17170.4-170.3178.2177.4-4.7113.2T549 I550 D551 S593 S596T549-R598 HydrophobicContact CG2-CB 4Å; T549-R598 HydrophobicContact CG2-CG 4.05Å; I550-R598 CarbonylContact O-C 3.58Å; I550-R598 VanDerWaalsContact O-CA 3.3Å; I550-R598 WeakPolarHBondContact O-CA 3.46Å; D551-R598 VanDerWaalsContact OD1-CB 3.31Å; D551-R598 WeakPolarHBondContact OD1-CB 3.23Å; S593-R598 VanDerWaalsContact CB-O 3.23Å; S593-R598 WeakPolarHBondContact CB-O 3.37Å; S593-R598 PolarHBondContact N-O 3.12Å; S596-R598 PolarHBondContact O-N 3.44Å; S596-R598 WeakPolarHBondContact OG-CD 3.35Å
599Y94.3Very high92.2Very high1 Ų143.3 Ų43.30%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-117.7133.8175.3-62.9-90.9000109.4T549 I550 T552 P556 V557 L559 L591 A592 L616 L620T549-Y599 CarbonylContact C-O 3.56Å; T549-Y599 WeakPolarHBondContact CA-O 3.49Å; I550-Y599 PolarHBondContact N-O 2.81Å; I550-Y599 PolarHBondContact O-N 3.26Å; T552-Y599 HydrophobicContact CG2-CD2 3.99Å; T552-Y599 HydrophobicContact CG2-CE2 3.94Å; P556-Y599 WeakPolarHBondContact CA-OH 3.42Å; V557-Y599 WeakPolarHBondContact CA-OH 3.29Å; V557-Y599 PolarHBondContact N-OH 3.08Å; V557-Y599 PolarHBondContact O-OH 3.22Å; L559-Y599 HydrophobicContact CD2-CD1 4.15Å; L559-Y599 HydrophobicContact CD2-CE1 4.02Å; L591-Y599 CarbonylContact O-C 3.46Å; L591-Y599 WeakPolarHBondContact O-CA 3.35Å; A592-Y599 HydrophobicContact CB-CD1 3.85Å; A592-Y599 HydrophobicContact CB-CE1 3.68Å; Y599-L616 HydrophobicContact CD1-CD1 4.27Å; Y599-L616 HydrophobicContact CD1-CD2 4.38Å; Y599-L616 HydrophobicContact CG-CD2 3.99Å; Y599-L620 HydrophobicContact CD2-CD1 4.08Å; Y599-L620 HydrophobicContact CE2-CD1 3.77Å; Y599-L620 HydrophobicContact CE2-CD2 4.12Å
600R94.2Very high92.3Very high81 Ų8144 Ų4431%0.30621%0.214SC..EExtended strand (participates in β ladder)trans-109.5126.6174.7-176.5175-62.3123.72109.6I548 T549 V590 L591I548-R600 CarbonylContact O-C 3.59Å; I548-R600 VanDerWaalsContact O-CA 3.32Å; I548-R600 WeakPolarHBondContact O-CA 3.41Å; T549-R600 PolarHBondContact OG1-NE 2.75Å; V590-R600 CarbonylContact C-O 3.52Å; V590-R600 WeakPolarHBondContact CA-O 3.2Å; L591-R600 HydrophobicContact CB-CB 4.41Å; L591-R600 HydrophobicContact CD1-CB 4.38Å; L591-R600 HydrophobicContact CD1-CG 4.46Å; L591-R600 PolarHBondContact N-O 3.23Å; L591-R600 PolarHBondContact O-N 3.45Å
601I95.2Very high92.3Very high0 Ų044.2 Ų44.20%022%0.216CC..EExtended strand (participates in β ladder)trans-109.4132.6174-51.785.3000107K547 I548 I550 I588 T589 V590 L609 I612 T613 L616K547-I601 CarbonylContact C-O 3.48Å; K547-I601 WeakPolarHBondContact CA-O 3.5Å; I548-I601 PolarHBondContact N-O 2.84Å; I548-I601 PolarHBondContact O-N 2.88Å; I550-I601 HydrophobicContact CG1-CD1 4.1Å; I588-I601 HydrophobicContact CG2-CG2 3.59Å; T589-I601 CarbonylContact O-C 3.59Å; T589-I601 WeakPolarHBondContact O-CA 3.48Å; V590-I601 HydrophobicContact CG2-CG1 4.22Å; V590-I601 HydrophobicContact CG2-CG2 4.32Å; I601-L609 HydrophobicContact CB-CD2 4.42Å; I601-L609 HydrophobicContact CG2-CD2 3.79Å; I601-I612 HydrophobicContact CG2-CB 4.48Å; I601-I612 HydrophobicContact CG2-CG2 4.22Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; I601-L616 HydrophobicContact CD1-CD2 3.91Å; I601-L616 HydrophobicContact CG1-CD2 4.27Å
602Q95Very high92.3Very high12 Ų1242.2 Ų42.26%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-141.1142.7-17967.8-173.816.700112.2S541 K542 A544 H546 K547 I588 T589 L591S541-Q602 PolarHBondContact O-NE2 3.4Å; K542-Q602 PolarHBondContact O-NE2 2.86Å; A544-Q602 HydrophobicContact CB-CB 4.07Å; A544-Q602 HydrophobicContact CB-CG 4.15Å; H546-Q602 WeakPolarHBondContact O-CA 3.37Å; H546-Q602 WeakPolarHBondContact O-CB 3.49Å; K547-Q602 HydrophobicContact CB-CB 4.05Å; I588-Q602 WeakPolarHBondContact CA-O 3.47Å; T589-Q602 PolarHBondContact N-O 3.26Å; T589-Q602 PolarHBondContact O-N 3.37Å; L591-Q602 HydrophobicContact CD1-CG 4.1Å
603S94.7Very high92.5Very high2 Ų241.9 Ų41.91%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-153164.8-178.8-174.50000109.6A544 H546 R587 Q605 D608A544-S603 WeakPolarHBondContact CB-O 3.12Å; H546-S603 PolarHBondContact N-O 3.13Å; H546-S603 PolarHBondContact O-N 2.72Å; R587-S603 PolarHBondContact O-OG 2.85Å; R587-S603 VanDerWaalsContact O-OG 3.13Å; S603-Q605 WeakPolarHBondContact CB-O 3.29Å; S603-Q605 PolarHBondContact OG-N 3.37Å; S603-Q605 PolarHBondContact OG-O 2.98Å; S603-D608 PolarHBondContact OG-OD2 3.32Å
604E93.7Very high92.8Very high93 Ų9342.8 Ų42.844%0.43521%0.205SC..SBendtrans-74.9-30.8172.5-64-55.7157.500112.2A544 S545 H546A544-E604 WeakPolarHBondContact CA-OE1 3.15Å; S545-E604 WeakPolarHBondContact CB-OE2 3.24Å; S545-E604 PolarHBondContact N-OE2 3.49Å; S545-E604 PolarHBondContact OG-OE2 2.8Å; H546-E604 PolarHBondContact CE1-O 2.76Å; H546-E604 VanDerWaalsContact CE1-O 3.3Å; H546-E604 PolarHBondContact ND1-O 3.39Å
605Q92.8Very high93.2Very high97 Ų9735 Ų3545%0.45317%0.172SC..SBendtrans-107.2150.1176.1-55.6-60.8-32.600110.9S603 E607 D608S603-Q605 WeakPolarHBondContact CB-O 3.29Å; S603-Q605 PolarHBondContact OG-N 3.37Å; S603-Q605 PolarHBondContact OG-O 2.98Å; Q605-E607 HydrophobicContact CB-CG 4.42Å; Q605-D608 WeakPolarHBondContact CB-OD2 3.35Å
606F94.4Very high93.7Very high7 Ų728.7 Ų28.73%0.03113%0.133CC..SBendtrans-76.5-42.8-174.9177.2-108.4000111.9I548 D608 L609 P641 E644 L648 A730 L733 V734I548-F606 HydrophobicContact CD1-CE2 4.13Å; F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.98Å; F606-L609 HydrophobicContact CD2-CD1 4.13Å; F606-L609 WeakPolarHBondContact O-CB 3.38Å; F606-L609 WeakPolarHBondContact O-CG 3.05Å; F606-L609 PolarHBondContact O-N 3.16Å; F606-P641 HydrophobicContact CE2-CB 3.77Å; F606-P641 HydrophobicContact CE2-CG 3.36Å; F606-P641 HydrophobicContact CZ-CB 4.14Å; F606-P641 HydrophobicContact CZ-CG 3.48Å; F606-P641 VanDerWaalsContact CZ-CG 3.48Å; F606-E644 HydrophobicContact CB-CB 4.24Å; F606-E644 HydrophobicContact CD1-CB 4.41Å; F606-E644 HydrophobicContact CD2-CB 4.08Å; F606-E644 HydrophobicContact CG-CB 3.97Å; F606-L648 HydrophobicContact CD1-CD1 4.15Å; F606-A730 HydrophobicContact CD1-CB 3.81Å; F606-A730 HydrophobicContact CE1-CB 3.83Å; F606-L733 HydrophobicContact CE1-CD2 4.2Å; F606-L733 HydrophobicContact CE2-CD2 3.9Å; F606-L733 HydrophobicContact CZ-CD2 3.72Å; F606-L733 HydrophobicContact CZ-CG 4.27Å; F606-V734 HydrophobicContact CE1-CG2 4.28Å; F606-V734 HydrophobicContact CZ-CG2 4.23Å
607E93.2Very high94.1Very high6 Ų627.1 Ų27.13%0.02812%0.121CC..THydrogen-bonded Turntrans-60.2-34.1-179.659.6-90.9-14400113.3Q605 L609 W610 L648 R726 A730Q605-E607 HydrophobicContact CB-CG 4.42Å; E607-L609 PolarHBondContact O-N 3.32Å; E607-W610 WeakPolarHBondContact O-CB 3.35Å; E607-W610 PolarHBondContact O-N 3.46Å; E607-L648 HydrophobicContact CB-CD1 4.41Å; E607-R726 HydrophobicContact CB-CB 4.21Å; E607-R726 WeakPolarHBondContact CB-O 3.37Å; E607-R726 HydrophobicContact CG-CB 3.94Å; E607-R726 HydrophobicContact CG-CG 4.06Å; E607-R726 WeakPolarHBondContact OE1-CD 3.1Å; E607-A730 HydrophobicContact CB-CB 4.45Å
608D92.9Very high94.2Very high12 Ų1225.2 Ų25.26%0.06411%0.114CC..THydrogen-bonded Turntrans-65.8-22.6-179.4-70.8-27.7000112.9A586 I588 S603 Q605 F606 W610A586-D608 VanDerWaalsContact CB-CG 3.47Å; A586-D608 WeakPolarHBondContact CB-OD2 3.48Å; I588-D608 HydrophobicContact CD1-CB 4.19Å; I588-D608 HydrophobicContact CG1-CB 3.97Å; S603-D608 PolarHBondContact OG-OD2 3.32Å; Q605-D608 WeakPolarHBondContact CB-OD2 3.35Å; F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.98Å; D608-W610 PolarHBondContact O-N 2.9Å
609L94.8Very high94.2Very high0 Ų023 Ų230%011%0.105CC..Hα-helixtrans-66.2-26.9179.5-61.2175.9000111.5H546 I548 I601 F606 E607 T613 L733H546-L609 HydrophobicContact CB-CD1 4Å; I548-L609 HydrophobicContact CD1-CB 4.28Å; I548-L609 HydrophobicContact CD1-CD1 3.67Å; I548-L609 HydrophobicContact CG1-CD1 3.98Å; I601-L609 HydrophobicContact CB-CD2 4.42Å; I601-L609 HydrophobicContact CG2-CD2 3.79Å; F606-L609 HydrophobicContact CD2-CD1 4.13Å; F606-L609 WeakPolarHBondContact O-CB 3.38Å; F606-L609 WeakPolarHBondContact O-CG 3.05Å; F606-L609 PolarHBondContact O-N 3.16Å; E607-L609 PolarHBondContact O-N 3.32Å; L609-T613 WeakPolarHBondContact O-CB 3.25Å; L609-T613 PolarHBondContact O-N 3.11Å; L609-T613 PolarHBondContact O-OG1 3.45Å; L609-L733 HydrophobicContact CB-CD2 3.74Å
610W95.2Very high94.2Very high14 Ų1423 Ų235%0.05311%0.105CC..Hα-helixtrans-57.6-62.8-172.8168.4-128.1000113S498 E607 D608 I612 T613 N614 S729 H732 L733 L736S498-W610 PolarHBondContact O-NE1 2.99Å; E607-W610 WeakPolarHBondContact O-CB 3.35Å; E607-W610 PolarHBondContact O-N 3.46Å; D608-W610 PolarHBondContact O-N 2.9Å; W610-I612 VanDerWaalsContact C-N 3.32Å; W610-I612 PolarHBondContact O-N 2.86Å; W610-T613 PolarHBondContact O-N 3.49Å; W610-N614 HydrophobicContact CD2-CB 4.41Å; W610-N614 HydrophobicContact CE3-CB 4.28Å; W610-N614 HydrophobicContact CH2-CB 3.93Å; W610-N614 HydrophobicContact CZ2-CB 4.02Å; W610-N614 HydrophobicContact CZ3-CB 4.06Å; W610-N614 WeakPolarHBondContact O-CB 3.32Å; W610-N614 PolarHBondContact O-N 3.41Å; W610-S729 WeakPolarHBondContact CB-O 3.07Å; W610-H732 HydrophobicContact CD2-CB 3.61Å; W610-H732 AromaticContact CE2-CG 3.92Å; W610-H732 HydrophobicContact CE3-CB 4Å; W610-H732 HydrophobicContact CG-CB 4.19Å; W610-H732 HydrophobicContact CH2-CB 3.84Å; W610-H732 HydrophobicContact CZ2-CB 3.47Å; W610-H732 VanDerWaalsContact CZ2-CB 3.47Å; W610-H732 AromaticContact CZ2-CG 3.9Å; W610-H732 HydrophobicContact CZ3-CB 4.08Å; W610-H732 WeakPolarHBondContact CZ3-O 3.32Å; W610-H732 AromaticContact NE1-CG 3.97Å; W610-L733 HydrophobicContact CB-CB 4.04Å; W610-L733 HydrophobicContact CD2-CB 4.43Å; W610-L733 VanDerWaalsContact CE3-CA 3.47Å; W610-L733 HydrophobicContact CE3-CB 3.9Å; W610-L733 HydrophobicContact CE3-CD1 4.27Å; W610-L736 HydrophobicContact CE3-CD2 4.26Å; W610-L736 HydrophobicContact CH2-CB 4.45Å; W610-L736 HydrophobicContact CH2-CD2 4.49Å; W610-L736 HydrophobicContact CZ3-CB 3.72Å; W610-L736 HydrophobicContact CZ3-CD2 3.56Å; W610-L736 HydrophobicContact CZ3-CG 4.2Å
611L94Very high94.2Very high5 Ų523.7 Ų23.73%0.02611%0.112CC..Hα-helixtrans-59.3-42.8-170.7-71.5173.1000112.2P497 L500 I534 F582 E615P497-L611 WeakPolarHBondContact O-CD1 3.34Å; L500-L611 HydrophobicContact CG-CD2 4.32Å; I534-L611 HydrophobicContact CD1-CD1 3.61Å; F582-L611 HydrophobicContact CE1-CD1 4.29Å; F582-L611 HydrophobicContact CE2-CD1 4.29Å; F582-L611 HydrophobicContact CZ-CB 3.94Å; F582-L611 HydrophobicContact CZ-CD1 3.84Å; L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.44Å; L611-E615 WeakPolarHBondContact O-CG 3.21Å; L611-E615 PolarHBondContact O-N 3.01Å
612I95Very high94Very high0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-70.5-37.5178.5-59.4-57.7000111.2L531 F580 F582 I588 V590 I601 W610 L616L531-I612 HydrophobicContact CD1-CD1 4.11Å; L531-I612 HydrophobicContact CD2-CD1 3.9Å; F580-I612 HydrophobicContact CB-CD1 4.13Å; F580-I612 HydrophobicContact CD1-CD1 3.92Å; F580-I612 HydrophobicContact CD2-CD1 4.25Å; F580-I612 HydrophobicContact CD2-CG2 4.18Å; F580-I612 HydrophobicContact CE1-CD1 4.41Å; F580-I612 HydrophobicContact CE2-CG2 4.13Å; F580-I612 HydrophobicContact CG-CD1 3.83Å; F580-I612 HydrophobicContact CG-CG1 4.46Å; F582-I612 HydrophobicContact CE1-CD1 4.19Å; F582-I612 HydrophobicContact CZ-CD1 3.93Å; F582-I612 HydrophobicContact CZ-CG1 3.94Å; I588-I612 HydrophobicContact CB-CG1 4.07Å; I588-I612 HydrophobicContact CD1-CG1 4.5Å; I588-I612 HydrophobicContact CG1-CG1 4.29Å; I588-I612 HydrophobicContact CG2-CB 4.09Å; I588-I612 HydrophobicContact CG2-CG1 3.9Å; I588-I612 HydrophobicContact CG2-CG2 4.18Å; V590-I612 HydrophobicContact CG2-CG2 3.35Å; I601-I612 HydrophobicContact CG2-CB 4.48Å; I601-I612 HydrophobicContact CG2-CG2 4.22Å; W610-I612 VanDerWaalsContact C-N 3.32Å; W610-I612 PolarHBondContact O-N 2.86Å; I612-L616 WeakPolarHBondContact O-CB 3.21Å; I612-L616 PolarHBondContact O-N 3.43Å
613T95.4Very high93.9Very high0 Ų030.7 Ų30.70%014%0.142CC..Hα-helixtrans-65.6-43.9175.9-58.70000111.1I550 I601 L609 W610 L616 I617 L733 L736I550-T613 HydrophobicContact CD1-CG2 4.34Å; I550-T613 HydrophobicContact CG1-CG2 4.16Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; L609-T613 WeakPolarHBondContact O-CB 3.25Å; L609-T613 PolarHBondContact O-N 3.11Å; L609-T613 PolarHBondContact O-OG1 3.45Å; W610-T613 PolarHBondContact O-N 3.49Å; T613-L616 PolarHBondContact O-N 3.4Å; T613-I617 HydrophobicContact CG2-CD1 4.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.01Å; T613-I617 VanDerWaalsContact O-N 3.07Å; T613-L733 HydrophobicContact CG2-CD1 4.31Å; T613-L736 HydrophobicContact CG2-CD2 3.89Å
614N95Very high93.8Very high41 Ų4131.3 Ų31.322%0.21915%0.145CC..Hα-helixtrans-61.9-50.3176.3-172.724.5000111.2W610 L616 I617 L618W610-N614 HydrophobicContact CD2-CB 4.41Å; W610-N614 HydrophobicContact CE3-CB 4.28Å; W610-N614 HydrophobicContact CH2-CB 3.93Å; W610-N614 HydrophobicContact CZ2-CB 4.02Å; W610-N614 HydrophobicContact CZ3-CB 4.06Å; W610-N614 WeakPolarHBondContact O-CB 3.32Å; W610-N614 PolarHBondContact O-N 3.41Å; N614-L616 VanDerWaalsContact C-N 3.32Å; N614-L616 PolarHBondContact O-N 3.12Å; N614-I617 PolarHBondContact O-N 3.42Å; N614-L618 WeakPolarHBondContact O-CB 3.5Å; N614-L618 WeakPolarHBondContact O-CG 3.44Å; N614-L618 PolarHBondContact O-N 2.82Å
615E93.9Very high93.6Very high7 Ų734.2 Ų34.23%0.03316%0.158CC..Hα-helixtrans-59.3-40176.5-81.1-78.9151.500112.9R528 L531 F563 L611 R619R528-E615 IonicContact CZ-OE1 3.75Å; R528-E615 IonicContact NE-OE1 3.84Å; R528-E615 PolarHBondContact NE-OE1 3.14Å; R528-E615 IonicContact NH2-OE1 2.83Å; R528-E615 PolarHBondContact NH2-OE1 2.9Å; R528-E615 IonicContact NH2-OE2 3.94Å; R528-E615 PolarHBondContact NH2-OE2 3.24Å; L531-E615 HydrophobicContact CB-CG 4.16Å; L531-E615 HydrophobicContact CD1-CG 4.19Å; L531-E615 HydrophobicContact CD2-CB 4.22Å; L531-E615 HydrophobicContact CD2-CG 3.96Å; L531-E615 HydrophobicContact CG-CG 4.31Å; F563-E615 HydrophobicContact CE1-CB 4.24Å; F563-E615 HydrophobicContact CZ-CB 4.47Å; L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.44Å; L611-E615 WeakPolarHBondContact O-CG 3.21Å; L611-E615 PolarHBondContact O-N 3.01Å; E615-R619 WeakPolarHBondContact O-CB 3.48Å; E615-R619 WeakPolarHBondContact O-CG 3.31Å; E615-R619 PolarHBondContact O-N 2.84Å; E615-R619 IonicContact OE2-CZ 2.7Å; E615-R619 VanDerWaalsContact OE2-CZ 3.27Å; E615-R619 IonicContact OE2-NE 2.63Å; E615-R619 PolarHBondContact OE2-NE 2.8Å; E615-R619 IonicContact OE2-NH2 3.41Å; E615-R619 PolarHBondContact OE2-NH2 2.9Å
616L94.5Very high93.6Very high1 Ų137 Ų371%0.00517%0.169CC..Hα-helixtrans-60.8-48.4176177.768.8000111.1L562 F563 V590 Y599 I601 I612 T613 N614 L620L562-L616 HydrophobicContact CD1-CD1 3.89Å; F563-L616 HydrophobicContact CE2-CD1 4.03Å; F563-L616 HydrophobicContact CZ-CB 4.41Å; V590-L616 HydrophobicContact CG1-CD2 4.43Å; Y599-L616 HydrophobicContact CD1-CD1 4.27Å; Y599-L616 HydrophobicContact CD1-CD2 4.38Å; Y599-L616 HydrophobicContact CG-CD2 3.99Å; I601-L616 HydrophobicContact CD1-CD2 3.91Å; I601-L616 HydrophobicContact CG1-CD2 4.27Å; I612-L616 WeakPolarHBondContact O-CB 3.21Å; I612-L616 PolarHBondContact O-N 3.43Å; T613-L616 PolarHBondContact O-N 3.4Å; N614-L616 VanDerWaalsContact C-N 3.32Å; N614-L616 PolarHBondContact O-N 3.12Å; L616-L620 HydrophobicContact CD1-CD1 4.03Å; L616-L620 HydrophobicContact CD1-CG 4.3Å; L616-L620 HydrophobicContact CG-CD1 3.9Å; L616-L620 WeakPolarHBondContact O-CB 3.36Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.33Å
617I94.2Very high93.3Very high10 Ų1042.5 Ų42.55%0.05119%0.194CC..Hα-helixtrans-64.4-47.9-179.4-68.2173000110.8T613 N614 R619 L620 Q621 L736 L740T613-I617 HydrophobicContact CG2-CD1 4.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.01Å; T613-I617 VanDerWaalsContact O-N 3.07Å; N614-I617 PolarHBondContact O-N 3.42Å; I617-R619 VanDerWaalsContact C-N 3.34Å; I617-R619 PolarHBondContact O-N 2.82Å; I617-L620 PolarHBondContact O-N 2.81Å; I617-Q621 HydrophobicContact CG2-CG 4.46Å; I617-Q621 WeakPolarHBondContact O-CG 3.25Å; I617-Q621 PolarHBondContact O-N 3.17Å; I617-L736 HydrophobicContact CD1-CD1 4Å; I617-L736 HydrophobicContact CD1-CD2 3.66Å; I617-L736 HydrophobicContact CD1-CG 4.24Å; I617-L740 HydrophobicContact CD1-CD1 3.82Å
618L92.9Very high93.1Very high53 Ų5345 Ų4528%0.27722%0.222SC..Hα-helixtrans-58.5-45.3179.1-72.2172.2000111.7N614 Q621 E622N614-L618 WeakPolarHBondContact O-CB 3.5Å; N614-L618 WeakPolarHBondContact O-CG 3.44Å; N614-L618 PolarHBondContact O-N 2.82Å; L618-Q621 PolarHBondContact O-N 3.26Å; L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 PolarHBondContact O-N 2.75Å
619R93.9Very high92.9Very high42 Ų4246.5 Ų46.516%0.15823%0.231CC..Hα-helixtrans-73.1-31.7-179.8-66.9-175.1-163.6-1510.8113.1L562 F563 E615 I617 Y623L562-R619 HydrophobicContact CD2-CB 4.35Å; L562-R619 WeakPolarHBondContact O-CD 3.3Å; L562-R619 PolarHBondContact O-NH1 2.78Å; F563-R619 VanDerWaalsContact CD1-NH1 3.26Å; E615-R619 WeakPolarHBondContact O-CB 3.48Å; E615-R619 WeakPolarHBondContact O-CG 3.31Å; E615-R619 PolarHBondContact O-N 2.84Å; E615-R619 IonicContact OE2-CZ 2.7Å; E615-R619 VanDerWaalsContact OE2-CZ 3.27Å; E615-R619 IonicContact OE2-NE 2.63Å; E615-R619 PolarHBondContact OE2-NE 2.8Å; E615-R619 IonicContact OE2-NH2 3.41Å; E615-R619 PolarHBondContact OE2-NH2 2.9Å; I617-R619 VanDerWaalsContact C-N 3.34Å; I617-R619 PolarHBondContact O-N 2.82Å; R619-Y623 WeakPolarHBondContact O-CB 3.46Å; R619-Y623 PolarHBondContact O-N 2.85Å
620L93.9Very high92.5Very high1 Ų156.5 Ų56.51%0.00528%0.275CS..Hα-helixtrans-64.8-45.4171.7-77.9169.6000110.9T552 V557 L562 Y599 L616 I617 Y623 F624 F632T552-L620 HydrophobicContact CG2-CD1 4.45Å; V557-L620 HydrophobicContact CB-CD2 4.18Å; V557-L620 HydrophobicContact CG2-CD2 4.05Å; L562-L620 HydrophobicContact CD1-CD2 3.66Å; L562-L620 HydrophobicContact CD1-CG 4.05Å; L562-L620 HydrophobicContact CD2-CD2 4.05Å; L562-L620 HydrophobicContact CD2-CG 4.45Å; Y599-L620 HydrophobicContact CD2-CD1 4.08Å; Y599-L620 HydrophobicContact CE2-CD1 3.77Å; Y599-L620 HydrophobicContact CE2-CD2 4.12Å; L616-L620 HydrophobicContact CD1-CD1 4.03Å; L616-L620 HydrophobicContact CD1-CG 4.3Å; L616-L620 HydrophobicContact CG-CD1 3.9Å; L616-L620 WeakPolarHBondContact O-CB 3.36Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.33Å; I617-L620 PolarHBondContact O-N 2.81Å; L620-Y623 PolarHBondContact O-N 3.42Å; L620-F624 HydrophobicContact CD2-CE2 4.14Å; L620-F624 WeakPolarHBondContact O-CD2 3.41Å; L620-F624 PolarHBondContact O-N 2.95Å; L620-F632 HydrophobicContact CB-CE1 3.8Å; L620-F632 HydrophobicContact CB-CZ 3.61Å; L620-F632 HydrophobicContact CD1-CZ 4.11Å; L620-F632 HydrophobicContact CG-CZ 4.34Å
621Q92.8Very high92.2Very high94 Ų9460.3 Ų60.344%0.43930%0.296SS..Hα-helixtrans-58.5-50.9174.8-72.1171.5-16.500111I617 L618 Y623 F624 E625 F632I617-Q621 HydrophobicContact CG2-CG 4.46Å; I617-Q621 WeakPolarHBondContact O-CG 3.25Å; I617-Q621 PolarHBondContact O-N 3.17Å; L618-Q621 PolarHBondContact O-N 3.26Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 2.91Å; Q621-F624 PolarHBondContact O-N 3.28Å; Q621-E625 VanDerWaalsContact O-CB 3.26Å; Q621-E625 WeakPolarHBondContact O-CB 3.24Å; Q621-E625 PolarHBondContact O-N 3.22Å; Q621-F632 HydrophobicContact CG-CD1 4Å; Q621-F632 HydrophobicContact CG-CE1 3.93Å
622E91.5Very high92Very high83 Ų8361.6 Ų61.639%0.38830%0.302SS..Hα-helixtrans-60-40.9177.8-172.6-173.3168.500112.2L618 K626L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 PolarHBondContact O-N 2.75Å; E622-K626 HydrophobicContact CG-CD 4.39Å; E622-K626 WeakPolarHBondContact O-CB 3.3Å; E622-K626 VanDerWaalsContact O-CG 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.3Å; E622-K626 PolarHBondContact O-N 2.65Å; E622-K626 VanDerWaalsContact OE1-CE 3.29Å; E622-K626 WeakPolarHBondContact OE1-CE 3.35Å; E622-K626 IonicContact OE1-NZ 3.77Å; E622-K626 PolarHBondContact OE1-NZ 3.33Å
623Y93Very high91.8Very high77 Ų7763.9 Ų63.930%0.30232%0.321SS..Hα-helixtrans-63.4-49.1177.9179.5-88.9000111.7V557 L562 R619 L620 Q621 K626 Q627V557-Y623 HydrophobicContact CB-CE1 4.42Å; V557-Y623 HydrophobicContact CG1-CD1 4.02Å; V557-Y623 HydrophobicContact CG1-CD2 4.23Å; V557-Y623 HydrophobicContact CG1-CE1 3.79Å; V557-Y623 HydrophobicContact CG1-CE2 4Å; V557-Y623 HydrophobicContact CG1-CG 4.24Å; V557-Y623 HydrophobicContact CG2-CD1 3.79Å; V557-Y623 HydrophobicContact CG2-CE1 3.68Å; L562-Y623 HydrophobicContact CD2-CD2 4.48Å; L562-Y623 HydrophobicContact CD2-CG 4.29Å; R619-Y623 WeakPolarHBondContact O-CB 3.46Å; R619-Y623 PolarHBondContact O-N 2.85Å; L620-Y623 PolarHBondContact O-N 3.42Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 2.91Å; Y623-K626 PolarHBondContact O-N 3.06Å; Y623-Q627 HydrophobicContact CD1-CG 4.38Å; Y623-Q627 HydrophobicContact CE1-CG 4.02Å; Y623-Q627 WeakPolarHBondContact O-CG 3.24Å; Y623-Q627 PolarHBondContact O-N 2.98Å; Y623-Q627 VanDerWaalsContact O-N 3.1Å
624F92.7Very high91.7Very high15 Ų1564.9 Ų64.97%0.06633%0.327CS..Hα-helixtrans-70.6-33.9-179.5-78-60.5000112.5K554 V557 L620 Q621 Q627 G628 V629 F632K554-F624 HydrophobicContact CB-CE1 3.91Å; K554-F624 HydrophobicContact CB-CE2 4.09Å; K554-F624 HydrophobicContact CB-CZ 3.49Å; K554-F624 VanDerWaalsContact CB-CZ 3.49Å; K554-F624 HydrophobicContact CG-CE1 4.09Å; K554-F624 HydrophobicContact CG-CE2 4.44Å; K554-F624 HydrophobicContact CG-CZ 4.03Å; V557-F624 HydrophobicContact CG2-CE1 4.21Å; V557-F624 HydrophobicContact CG2-CE2 3.85Å; V557-F624 HydrophobicContact CG2-CZ 3.47Å; V557-F624 VanDerWaalsContact CG2-CZ 3.47Å; L620-F624 HydrophobicContact CD2-CE2 4.14Å; L620-F624 WeakPolarHBondContact O-CD2 3.41Å; L620-F624 PolarHBondContact O-N 2.95Å; Q621-F624 PolarHBondContact O-N 3.28Å; F624-Q627 CarbonylContact O-C 3.54Å; F624-Q627 PolarHBondContact O-N 2.8Å; F624-G628 PolarHBondContact O-N 2.88Å; F624-G628 VanDerWaalsContact O-N 3.13Å; F624-V629 HydrophobicContact CB-CB 4.11Å; F624-V629 HydrophobicContact CB-CG1 4.49Å; F624-V629 HydrophobicContact CD1-CB 4.11Å; F624-V629 HydrophobicContact CD1-CG1 4.22Å; F624-V629 HydrophobicContact CD1-CG2 4.24Å; F624-V629 PolarHBondContact O-N 3.36Å; F624-F632 HydrophobicContact CB-CB 4.04Å; F624-F632 HydrophobicContact CB-CG 4.22Å; F624-F632 HydrophobicContact CD2-CB 4.16Å; F624-F632 HydrophobicContact CD2-CD1 4.02Å; F624-F632 AromaticContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CE1 4.23Å; F624-F632 AromaticContact CD2-CE2 3.5Å; F624-F632 HydrophobicContact CD2-CE2 3.5Å; F624-F632 VanDerWaalsContact CD2-CE2 3.5Å; F624-F632 AromaticContact CD2-CG 3.52Å; F624-F632 HydrophobicContact CD2-CG 3.52Å; F624-F632 AromaticContact CD2-CZ 4Å; F624-F632 HydrophobicContact CD2-CZ 4Å; F624-F632 AromaticContact CE2-CD2 3.42Å; F624-F632 HydrophobicContact CE2-CD2 3.42Å; F624-F632 VanDerWaalsContact CE2-CD2 3.42Å; F624-F632 AromaticContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CG 4.19Å; F624-F632 HydrophobicContact CE2-CZ 4.07Å; F624-F632 HydrophobicContact CG-CB 4.21Å; F624-F632 HydrophobicContact CG-CD2 4.03Å; F624-F632 HydrophobicContact CG-CG 4.08Å; F624-F632 HydrophobicContact CZ-CD2 4.32Å; F624-F632 HydrophobicContact CZ-CE2 4.39Å
625E90.6Very high91.6Very high154 Ų15465 Ų6572%0.7233%0.332SS*.Hα-helixtrans-62.5-44.8172.3-174.5174.3-164.500111.3Q621 Q627 G628Q621-E625 VanDerWaalsContact O-CB 3.26Å; Q621-E625 WeakPolarHBondContact O-CB 3.24Å; Q621-E625 PolarHBondContact O-N 3.22Å; E625-Q627 PolarHBondContact O-N 2.56Å; E625-G628 PolarHBondContact O-N 3.33Å
626K91.1Very high91.5Very high156 Ų15665.4 Ų65.468%0.67833%0.333SS*.Hα-helixtrans-61.7-30173.4-76.1176-174.7170.90113.3E622 Y623 G628E622-K626 HydrophobicContact CG-CD 4.39Å; E622-K626 WeakPolarHBondContact O-CB 3.3Å; E622-K626 VanDerWaalsContact O-CG 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.3Å; E622-K626 PolarHBondContact O-N 2.65Å; E622-K626 VanDerWaalsContact OE1-CE 3.29Å; E622-K626 WeakPolarHBondContact OE1-CE 3.35Å; E622-K626 IonicContact OE1-NZ 3.77Å; E622-K626 PolarHBondContact OE1-NZ 3.33Å; Y623-K626 PolarHBondContact O-N 3.06Å; K626-G628 VanDerWaalsContact C-N 3.28Å
627Q89.6Confident91.2Very high122 Ų12270 Ų7057%0.5737%0.365SS*.THydrogen-bonded Turntrans-82-2.5173.8-67.1-68.4-15.800113.2Y623 F624 E625 V629Y623-Q627 HydrophobicContact CD1-CG 4.38Å; Y623-Q627 HydrophobicContact CE1-CG 4.02Å; Y623-Q627 WeakPolarHBondContact O-CG 3.24Å; Y623-Q627 PolarHBondContact O-N 2.98Å; Y623-Q627 VanDerWaalsContact O-N 3.1Å; F624-Q627 CarbonylContact O-C 3.54Å; F624-Q627 PolarHBondContact O-N 2.8Å; E625-Q627 PolarHBondContact O-N 2.56Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 HydrophobicContact CB-CG2 4.26Å
628G88.9Confident90.7Very high59 Ų5971 Ų7161%0.60838%0.378SS*.THydrogen-bonded Turntrans77.913.8-178.900000114.9F624 E625 K626F624-G628 PolarHBondContact O-N 2.88Å; F624-G628 VanDerWaalsContact O-N 3.13Å; E625-G628 PolarHBondContact O-N 3.33Å; K626-G628 VanDerWaalsContact C-N 3.28Å
629V88.5Confident90.6Very high43 Ų4373.5 Ų73.526%0.26140%0.4SS..  trans-88.7106.7-179.1178.80000109.7K554 F624 Q627 D631K554-V629 HydrophobicContact CD-CG1 4.26Å; K554-V629 VanDerWaalsContact CE-CG1 3.47Å; F624-V629 HydrophobicContact CB-CB 4.11Å; F624-V629 HydrophobicContact CB-CG1 4.49Å; F624-V629 HydrophobicContact CD1-CB 4.11Å; F624-V629 HydrophobicContact CD1-CG1 4.22Å; F624-V629 HydrophobicContact CD1-CG2 4.24Å; F624-V629 PolarHBondContact O-N 3.36Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 HydrophobicContact CB-CG2 4.26Å; V629-D631 WeakPolarHBondContact CG1-OD1 3.25Å
630K86.1Confident90.4Very high209 Ų20972.4 Ų72.491%0.90940%0.397SS*.  trans-90-16.3-176.2-66.6-171.2175.9-1740115.1
631D89.2Confident90.4Very high95 Ų9573.3 Ų73.351%0.50840%0.403SS..  trans-95.815-174.667.4-35.4000113.1N553 K554 V629 A633N553-D631 PolarHBondContact ND2-O 2.86Å; K554-D631 WeakPolarHBondContact CE-OD1 3.37Å; K554-D631 IonicContact NZ-OD1 3.55Å; K554-D631 PolarHBondContact NZ-OD1 3.37Å; K554-D631 IonicContact NZ-OD2 3.01Å; K554-D631 PolarHBondContact NZ-OD2 3.4Å; V629-D631 WeakPolarHBondContact CG1-OD1 3.25Å; D631-A633 PolarHBondContact O-N 2.89Å
632F89.9Confident90.4Very high31 Ų3170.3 Ų70.314%0.13639%0.39CS..  trans-65.7129.7177.9177-110000111.3T552 K554 L620 Q621 F624 C634T552-F632 HydrophobicContact CG2-CE2 3.95Å; T552-F632 HydrophobicContact CG2-CZ 4.04Å; K554-F632 HydrophobicContact CB-CD2 4.29Å; K554-F632 HydrophobicContact CG-CD2 3.85Å; L620-F632 HydrophobicContact CB-CE1 3.8Å; L620-F632 HydrophobicContact CB-CZ 3.61Å; L620-F632 HydrophobicContact CD1-CZ 4.11Å; L620-F632 HydrophobicContact CG-CZ 4.34Å; Q621-F632 HydrophobicContact CG-CD1 4Å; Q621-F632 HydrophobicContact CG-CE1 3.93Å; F624-F632 HydrophobicContact CB-CB 4.04Å; F624-F632 HydrophobicContact CB-CG 4.22Å; F624-F632 HydrophobicContact CD2-CB 4.16Å; F624-F632 HydrophobicContact CD2-CD1 4.02Å; F624-F632 AromaticContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CE1 4.23Å; F624-F632 AromaticContact CD2-CE2 3.5Å; F624-F632 HydrophobicContact CD2-CE2 3.5Å; F624-F632 VanDerWaalsContact CD2-CE2 3.5Å; F624-F632 AromaticContact CD2-CG 3.52Å; F624-F632 HydrophobicContact CD2-CG 3.52Å; F624-F632 AromaticContact CD2-CZ 4Å; F624-F632 HydrophobicContact CD2-CZ 4Å; F624-F632 AromaticContact CE2-CD2 3.42Å; F624-F632 HydrophobicContact CE2-CD2 3.42Å; F624-F632 VanDerWaalsContact CE2-CD2 3.42Å; F624-F632 AromaticContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CG 4.19Å; F624-F632 HydrophobicContact CE2-CZ 4.07Å; F624-F632 HydrophobicContact CG-CB 4.21Å; F624-F632 HydrophobicContact CG-CD2 4.03Å; F624-F632 HydrophobicContact CG-CG 4.08Å; F624-F632 HydrophobicContact CZ-CD2 4.32Å; F624-F632 HydrophobicContact CZ-CE2 4.39Å; F632-C634 VanDerWaalsContact CZ-SG 3.51Å
633A90.6Very high90.5Very high49 Ų4972.1 Ų72.141%0.40540%0.398SS..  trans-139.7137177.500000111T552 N553 D631T552-A633 WeakPolarHBondContact CA-O 3.45Å; N553-A633 PolarHBondContact N-O 3.38Å; N553-A633 PolarHBondContact OD1-N 3.35Å; N553-A633 PolarHBondContact OD1-O 3.44Å; D631-A633 PolarHBondContact O-N 2.89Å
634C92.6Very high90.6Very high20 Ų2071.4 Ų71.414%0.13540%0.398CS..EExtended strand (participates in β ladder)trans-94.8145166.1-64.10000109.3I550 D551 F632 L740I550-C634 HydrophobicContact CG2-CB 3.98Å; D551-C634 CarbonylContact O-C 3.5Å; D551-C634 WeakPolarHBondContact O-CA 3.44Å; F632-C634 VanDerWaalsContact CZ-SG 3.51Å; C634-L740 HydrophobicContact CB-CD1 4.4Å; C634-L740 HydrophobicContact CB-CD2 3.72Å
635S92.8Very high90.7Very high45 Ų4570.7 Ų70.732%0.31540%0.395SS..EExtended strand (participates in β ladder)trans-140.9148.5174.453.50000109.8D551D551-S635 WeakPolarHBondContact CA-O 3.41Å; D551-S635 WeakPolarHBondContact CB-O 3.34Å; D551-S635 PolarHBondContact N-O 3.21Å; D551-S635 PolarHBondContact O-N 2.86Å
636F92.5Very high91Very high15 Ų1564.3 Ų64.37%0.06637%0.365CS..  trans-115.7113.9174.1179.5-112.3000108.6I548 T549 I550 G638 S639 L737 L740 W741I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE2 4.01Å; T549-F636 WeakPolarHBondContact O-CD2 3.44Å; I550-F636 HydrophobicContact CD1-CD2 4.22Å; F636-G638 VanDerWaalsContact CE1-C 3.49Å; F636-G638 WeakPolarHBondContact CE1-O 3.36Å; F636-S639 WeakPolarHBondContact CZ-O 3.29Å; F636-L737 HydrophobicContact CB-CD2 4.42Å; F636-L737 HydrophobicContact CD1-CB 4.21Å; F636-L737 HydrophobicContact CD1-CD2 4.14Å; F636-L737 HydrophobicContact CD2-CD2 3.81Å; F636-L737 HydrophobicContact CE1-CB 4.42Å; F636-L737 HydrophobicContact CE1-CD1 4.5Å; F636-L737 HydrophobicContact CE1-CD2 4.33Å; F636-L737 HydrophobicContact CE2-CD2 4.03Å; F636-L737 HydrophobicContact CG-CD2 3.86Å; F636-L737 HydrophobicContact CZ-CD1 4.46Å; F636-L737 HydrophobicContact CZ-CD2 4.29Å; F636-L740 HydrophobicContact CB-CB 3.92Å; F636-L740 PolarHBondContact N-O 3.44Å; F636-W741 HydrophobicContact CD1-CB 4.34Å
637S88.3Confident91.3Very high96 Ų9662 Ų6267%0.67136%0.356SS*.  trans-94.9-6.6-178.759.70000113.7D551D551-S637 WeakPolarHBondContact OD2-CB 3.42Å; D551-S637 PolarHBondContact OD2-OG 3.04Å
638G84.4Confident91.6Very high31 Ų3157.2 Ų57.232%0.3233%0.334SS..SBendtrans-77.5170.4179.500000113.8F636F636-G638 VanDerWaalsContact CE1-C 3.49Å; F636-G638 WeakPolarHBondContact CE1-O 3.36Å
639S89.1Confident92Very high106 Ų10654.4 Ų54.474%0.74131%0.305SS*.PPolyproline II helixtrans-71.3141.6164.552.10000109.9F636F636-S639 WeakPolarHBondContact CZ-O 3.29Å
640I91.5Very high92.4Very high20 Ų2054.5 Ų54.510%0.10331%0.305CS..PPolyproline II helixtrans-62.4128.2173-61162.6000108.2L642 V734 I738 W741 C816I640-L642 HydrophobicContact CB-CG 4.37Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.03Å; I640-L642 PolarHBondContact O-N 3.06Å; I640-V734 HydrophobicContact CG2-CG1 4.16Å; I640-I738 HydrophobicContact CD1-CD1 4.4Å; I640-I738 HydrophobicContact CD1-CG1 3.49Å; I640-I738 VanDerWaalsContact CD1-CG1 3.49Å; I640-I738 HydrophobicContact CG1-CG1 4.3Å; I640-W741 HydrophobicContact CD1-CD2 4.29Å; I640-W741 HydrophobicContact CD1-CE3 3.45Å; I640-W741 VanDerWaalsContact CD1-CE3 3.45Å; I640-W741 HydrophobicContact CD1-CH2 4.36Å; I640-W741 HydrophobicContact CD1-CZ3 3.5Å; I640-W741 HydrophobicContact CG1-CE3 4.17Å; I640-W741 HydrophobicContact CG1-CZ3 4.47Å; I640-C816 HydrophobicContact CD1-CB 4.14Å
641P92.2Very high92.9Very high20 Ų2048.7 Ų48.713%0.1328%0.28CS..  trans-74.171-179.431-35.6000111F606 E644 Y645 L737F606-P641 HydrophobicContact CE2-CB 3.77Å; F606-P641 HydrophobicContact CE2-CG 3.36Å; F606-P641 HydrophobicContact CZ-CB 4.14Å; F606-P641 HydrophobicContact CZ-CG 3.48Å; F606-P641 VanDerWaalsContact CZ-CG 3.48Å; P641-E644 WeakPolarHBondContact CA-OE2 3.45Å; P641-E644 VanDerWaalsContact CB-OE2 3.26Å; P641-E644 WeakPolarHBondContact CB-OE2 3.19Å; P641-Y645 WeakPolarHBondContact O-CB 3.23Å; P641-Y645 PolarHBondContact O-N 3.07Å; P641-L737 HydrophobicContact CG-CD1 3.86Å
642L93.5Very high93.2Very high30 Ų3044.1 Ų44.116%0.15726%0.256CS..Hα-helixtrans-73.1-28.9-178-69178.9000112.5I640 Y645 F646 I812 T813I640-L642 HydrophobicContact CB-CG 4.37Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.03Å; I640-L642 PolarHBondContact O-N 3.06Å; L642-Y645 PolarHBondContact O-N 3.25Å; L642-F646 HydrophobicContact CB-CE2 4.09Å; L642-F646 HydrophobicContact CB-CZ 4.08Å; L642-F646 HydrophobicContact CD1-CZ 4.47Å; L642-F646 HydrophobicContact CD2-CE1 4.39Å; L642-F646 HydrophobicContact CD2-CZ 4.32Å; L642-F646 VanDerWaalsContact O-CB 3.31Å; L642-F646 WeakPolarHBondContact O-CB 3.41Å; L642-F646 VanDerWaalsContact O-CD1 3.32Å; L642-F646 WeakPolarHBondContact O-CD1 3.22Å; L642-F646 VanDerWaalsContact O-CD2 3.31Å; L642-F646 WeakPolarHBondContact O-CD2 3.21Å; L642-F646 WeakPolarHBondContact O-CG 3.3Å; L642-F646 PolarHBondContact O-N 2.81Å; L642-I812 HydrophobicContact CD2-CG2 3.95Å; L642-T813 HydrophobicContact CD1-CG2 4.45Å
643Q94.1Very high93.5Very high121 Ų12143.4 Ų43.457%0.56525%0.253SS*.Hα-helixtrans-68.3-50.2-176179.45934.500110.9Y645 F646 E647Q643-Y645 VanDerWaalsContact C-N 3.27Å; Q643-Y645 PolarHBondContact O-N 3.26Å; Q643-F646 PolarHBondContact O-N 2.88Å; Q643-E647 PolarHBondContact NE2-OE1 2.98Å; Q643-E647 PolarHBondContact O-N 2.92Å; Q643-E647 VanDerWaalsContact O-N 3.09Å
644E93.6Very high93.8Very high62 Ų6246.6 Ų46.629%0.2926%0.259SS..Hα-helixtrans-63.2-37.4177.6-58.181.5174.900111F606 P641 E647F606-E644 HydrophobicContact CB-CB 4.24Å; F606-E644 HydrophobicContact CD1-CB 4.41Å; F606-E644 HydrophobicContact CD2-CB 4.08Å; F606-E644 HydrophobicContact CG-CB 3.97Å; P641-E644 WeakPolarHBondContact CA-OE2 3.45Å; P641-E644 VanDerWaalsContact CB-OE2 3.26Å; P641-E644 WeakPolarHBondContact CB-OE2 3.19Å; E644-E647 PolarHBondContact O-N 3.18Å
645Y96Very high94Very high0 Ų046.5 Ų46.50%026%0.257CS..Hα-helixtrans-65.4-42.2174.5-179-132.6000112.3P641 L642 Q643 E647 L648 I649 L727 A730 T731 V734 W768 I812P641-Y645 WeakPolarHBondContact O-CB 3.23Å; P641-Y645 PolarHBondContact O-N 3.07Å; L642-Y645 PolarHBondContact O-N 3.25Å; Q643-Y645 VanDerWaalsContact C-N 3.27Å; Q643-Y645 PolarHBondContact O-N 3.26Å; Y645-E647 VanDerWaalsContact C-N 3.3Å; Y645-E647 PolarHBondContact O-N 3.08Å; Y645-L648 PolarHBondContact O-N 2.98Å; Y645-I649 HydrophobicContact CD1-CD1 4.13Å; Y645-I649 HydrophobicContact CE1-CD1 3.81Å; Y645-I649 HydrophobicContact CE2-CD1 4.43Å; Y645-I649 HydrophobicContact CE2-CG1 4.43Å; Y645-I649 PolarHBondContact O-N 2.79Å; Y645-L727 HydrophobicContact CD2-CD1 4.29Å; Y645-L727 HydrophobicContact CE2-CD1 3.71Å; Y645-A730 HydrophobicContact CD2-CB 3.97Å; Y645-A730 HydrophobicContact CE2-CB 4.27Å; Y645-T731 VanDerWaalsContact CE2-OG1 3.25Å; Y645-T731 WeakPolarHBondContact CE2-OG1 3.47Å; Y645-T731 WeakPolarHBondContact OH-CG2 3.39Å; Y645-T731 PolarHBondContact OH-OG1 3.42Å; Y645-V734 HydrophobicContact CD1-CG1 4.5Å; Y645-V734 HydrophobicContact CD1-CG2 4.05Å; Y645-V734 HydrophobicContact CD2-CG2 4.08Å; Y645-V734 HydrophobicContact CE1-CG1 4.43Å; Y645-V734 HydrophobicContact CE1-CG2 4.45Å; Y645-V734 HydrophobicContact CE2-CG2 4.5Å; Y645-V734 HydrophobicContact CG-CG2 3.83Å; Y645-W768 VanDerWaalsContact OH-CH2 3.23Å; Y645-W768 WeakPolarHBondContact OH-CH2 3.35Å; Y645-W768 VanDerWaalsContact OH-CZ2 3.27Å; Y645-W768 WeakPolarHBondContact OH-CZ2 3.31Å; Y645-I812 HydrophobicContact CE1-CD1 4.16Å
646F97.2Very high94.1Very high21 Ų2145.3 Ų45.39%0.09225%0.246CC..Hα-helixtrans-67.5-29.6179.1-68.6-12.1000113L642 Q643 L648 I649 D650 K809 I812L642-F646 HydrophobicContact CB-CE2 4.09Å; L642-F646 HydrophobicContact CB-CZ 4.08Å; L642-F646 HydrophobicContact CD1-CZ 4.47Å; L642-F646 HydrophobicContact CD2-CE1 4.39Å; L642-F646 HydrophobicContact CD2-CZ 4.32Å; L642-F646 VanDerWaalsContact O-CB 3.31Å; L642-F646 WeakPolarHBondContact O-CB 3.41Å; L642-F646 VanDerWaalsContact O-CD1 3.32Å; L642-F646 WeakPolarHBondContact O-CD1 3.22Å; L642-F646 VanDerWaalsContact O-CD2 3.31Å; L642-F646 WeakPolarHBondContact O-CD2 3.21Å; L642-F646 WeakPolarHBondContact O-CG 3.3Å; L642-F646 PolarHBondContact O-N 2.81Å; Q643-F646 PolarHBondContact O-N 2.88Å; F646-L648 VanDerWaalsContact C-N 3.31Å; F646-L648 PolarHBondContact O-N 3.32Å; F646-I649 HydrophobicContact CD1-CD1 3.91Å; F646-I649 HydrophobicContact CE1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 3.04Å; F646-D650 WeakPolarHBondContact O-CB 3.12Å; F646-D650 PolarHBondContact O-N 2.86Å; F646-K809 HydrophobicContact CB-CD 4.01Å; F646-K809 HydrophobicContact CB-CG 4.32Å; F646-K809 HydrophobicContact CD1-CB 4.44Å; F646-K809 HydrophobicContact CD1-CD 4.42Å; F646-K809 HydrophobicContact CD1-CG 3.81Å; F646-K809 HydrophobicContact CD2-CB 4.13Å; F646-K809 HydrophobicContact CD2-CD 3.84Å; F646-K809 HydrophobicContact CD2-CG 3.88Å; F646-K809 HydrophobicContact CE1-CB 4.17Å; F646-K809 HydrophobicContact CE1-CG 4.01Å; F646-K809 HydrophobicContact CE2-CB 3.85Å; F646-K809 HydrophobicContact CE2-CD 4.41Å; F646-K809 HydrophobicContact CE2-CG 4.09Å; F646-K809 HydrophobicContact CG-CB 4.41Å; F646-K809 HydrophobicContact CG-CD 3.84Å; F646-K809 HydrophobicContact CG-CG 3.73Å; F646-K809 HydrophobicContact CZ-CB 3.86Å; F646-K809 HydrophobicContact CZ-CG 4.14Å; F646-K809 WeakPolarHBondContact CZ-O 3.4Å; F646-I812 HydrophobicContact CE1-CB 4.16Å; F646-I812 HydrophobicContact CE1-CD1 4.14Å; F646-I812 HydrophobicContact CE1-CG2 3.98Å; F646-I812 HydrophobicContact CZ-CB 4.34Å; F646-I812 HydrophobicContact CZ-CG2 4.26Å
647E96.1Very high94.2Very high107 Ų10746.3 Ų46.350%0.525%0.252SS..Hα-helixtrans-62.3-38.6172.8-72.6172-166.300111.8Q643 E644 Y645 D650 H651Q643-E647 PolarHBondContact NE2-OE1 2.98Å; Q643-E647 PolarHBondContact O-N 2.92Å; Q643-E647 VanDerWaalsContact O-N 3.09Å; E644-E647 PolarHBondContact O-N 3.18Å; Y645-E647 VanDerWaalsContact C-N 3.3Å; Y645-E647 PolarHBondContact O-N 3.08Å; E647-D650 PolarHBondContact O-N 2.91Å; E647-H651 WeakPolarHBondContact O-CB 3.41Å; E647-H651 PolarHBondContact O-N 3.14Å
648L95.9Very high94.5Very high21 Ų2145 Ų4511%0.1124%0.238CC..Hα-helixtrans-69.6-37.8174.2-67.4172.2000112.4F606 E607 Y645 F646 H652 L727 A730F606-L648 HydrophobicContact CD1-CD1 4.15Å; E607-L648 HydrophobicContact CB-CD1 4.41Å; Y645-L648 PolarHBondContact O-N 2.98Å; F646-L648 VanDerWaalsContact C-N 3.31Å; F646-L648 PolarHBondContact O-N 3.32Å; L648-H652 VanDerWaalsContact O-CB 3.31Å; L648-H652 WeakPolarHBondContact O-CB 3.49Å; L648-H652 PolarHBondContact O-N 3Å; L648-L727 HydrophobicContact CB-CD1 4Å; L648-A730 HydrophobicContact CD1-CB 3.35Å
649I97Very high95Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-62.8-44.6174.3-63.9179000110.4Y645 F646 H652 F653 L727 W768 T805 L808 I812Y645-I649 HydrophobicContact CD1-CD1 4.13Å; Y645-I649 HydrophobicContact CE1-CD1 3.81Å; Y645-I649 HydrophobicContact CE2-CD1 4.43Å; Y645-I649 HydrophobicContact CE2-CG1 4.43Å; Y645-I649 PolarHBondContact O-N 2.79Å; F646-I649 HydrophobicContact CD1-CD1 3.91Å; F646-I649 HydrophobicContact CE1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 3.04Å; I649-H652 PolarHBondContact O-N 2.76Å; I649-F653 WeakPolarHBondContact O-CB 3.39Å; I649-F653 PolarHBondContact O-N 2.91Å; I649-L727 HydrophobicContact CG1-CD1 3.65Å; I649-W768 HydrophobicContact CB-CZ3 4.44Å; I649-W768 HydrophobicContact CD1-CH2 3.75Å; I649-W768 HydrophobicContact CD1-CZ3 3.8Å; I649-W768 HydrophobicContact CG1-CH2 3.88Å; I649-W768 HydrophobicContact CG1-CZ3 3.67Å; I649-W768 HydrophobicContact CG2-CZ3 4.1Å; I649-T805 HydrophobicContact CG2-CG2 3.92Å; I649-L808 HydrophobicContact CG2-CD2 4.05Å; I649-I812 HydrophobicContact CD1-CD1 3.87Å
650D97.3Very high95.3Very high46 Ų4642.9 Ų42.925%0.24621%0.21CC..Hα-helixtrans-64.3-45.1178.8-75.8-30.9000111.8F646 E647 H652 F653 E654 T805 K809F646-D650 WeakPolarHBondContact O-CB 3.12Å; F646-D650 PolarHBondContact O-N 2.86Å; E647-D650 PolarHBondContact O-N 2.91Å; D650-H652 VanDerWaalsContact C-N 3.32Å; D650-H652 PolarHBondContact O-N 3.25Å; D650-F653 PolarHBondContact O-N 3.49Å; D650-E654 WeakPolarHBondContact O-CB 3.49Å; D650-E654 VanDerWaalsContact O-CG 3.29Å; D650-E654 WeakPolarHBondContact O-CG 3.32Å; D650-E654 PolarHBondContact O-N 2.82Å; D650-T805 PolarHBondContact OD1-OG1 2.82Å; D650-K809 WeakPolarHBondContact OD1-CE 3.43Å; D650-K809 IonicContact OD1-NZ 2.62Å; D650-K809 PolarHBondContact OD1-NZ 3.25Å; D650-K809 IonicContact OD2-NZ 2.63Å; D650-K809 PolarHBondContact OD2-NZ 3.42Å
651H96.6Very high95.5Very high86 Ų8647.2 Ų47.240%0.39823%0.228SC..Hα-helixtrans-60.8-42.8177.4-175.553.7000112.3E647 E654 L655 S723E647-H651 WeakPolarHBondContact O-CB 3.41Å; E647-H651 PolarHBondContact O-N 3.14Å; H651-E654 PolarHBondContact O-N 2.77Å; H651-L655 PolarHBondContact O-N 3.17Å; H651-L655 VanDerWaalsContact O-N 3.16Å; H651-S723 PolarHBondContact CD2-OG 3.13Å
652H96.5Very high95.7Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-60.3-49.9175.5-179.4-97.3000111.8L648 I649 D650 E654 L655 R656 S723 F724 L727 D762 E769L648-H652 VanDerWaalsContact O-CB 3.31Å; L648-H652 WeakPolarHBondContact O-CB 3.49Å; L648-H652 PolarHBondContact O-N 3Å; I649-H652 PolarHBondContact O-N 2.76Å; D650-H652 VanDerWaalsContact C-N 3.32Å; D650-H652 PolarHBondContact O-N 3.25Å; H652-E654 VanDerWaalsContact C-N 3.34Å; H652-E654 PolarHBondContact O-N 3.43Å; H652-L655 PolarHBondContact O-N 3.36Å; H652-R656 PolarHBondContact O-N 3.49Å; H652-R656 VanDerWaalsContact O-N 3.08Å; H652-S723 WeakPolarHBondContact CA-OG 3.42Å; H652-F724 AromaticContact NE2-CD2 3.64Å; H652-L727 HydrophobicContact CB-CD2 3.92Å; H652-D762 IonicContact CE1-OD1 3.26Å; H652-D762 PolarHBondContact CE1-OD1 2.94Å; H652-D762 IonicContact CE1-OD2 3.67Å; H652-D762 PolarHBondContact CE1-OD2 2.79Å; H652-D762 VanDerWaalsContact CE1-OD2 3.26Å; H652-D762 IonicContact NE2-OD1 3.93Å; H652-D762 IonicContact NE2-OD2 3.97Å; H652-D762 PolarHBondContact NE2-OD2 3.41Å; H652-E769 IonicContact CE1-OE1 3.65Å; H652-E769 IonicContact CE1-OE2 3.21Å; H652-E769 IonicContact CG-OE1 3.47Å; H652-E769 IonicContact ND1-OE1 3.84Å; H652-E769 PolarHBondContact ND1-OE1 2.86Å; H652-E769 IonicContact ND1-OE2 3.84Å
653F96.2Very high95.8Very high16 Ų1649.7 Ų49.77%0.0724%0.238CC..Hα-helixtrans-63.7-37.8179.3-175.5-105.9000112.6I649 D650 L655 R656 I657 E769 I801 P802 T805I649-F653 WeakPolarHBondContact O-CB 3.39Å; I649-F653 PolarHBondContact O-N 2.91Å; D650-F653 PolarHBondContact O-N 3.49Å; F653-L655 VanDerWaalsContact C-N 3.34Å; F653-L655 PolarHBondContact O-N 2.7Å; F653-R656 WeakPolarHBondContact O-CB 3.34Å; F653-R656 PolarHBondContact O-N 3.47Å; F653-I657 HydrophobicContact CD1-CG1 4.13Å; F653-I657 HydrophobicContact CE1-CD1 4.17Å; F653-I657 HydrophobicContact CE1-CG1 3.64Å; F653-I657 HydrophobicContact CE2-CD1 4.15Å; F653-I657 HydrophobicContact CE2-CG1 4.12Å; F653-I657 HydrophobicContact CZ-CD1 3.68Å; F653-I657 HydrophobicContact CZ-CG1 3.63Å; F653-I657 WeakPolarHBondContact O-CG1 3.48Å; F653-I657 PolarHBondContact O-N 3.06Å; F653-E769 WeakPolarHBondContact CA-OE1 3.37Å; F653-E769 WeakPolarHBondContact CB-OE1 3.49Å; F653-E769 HydrophobicContact CD2-CG 4.22Å; F653-E769 PolarHBondContact N-OE1 2.83Å; F653-I801 HydrophobicContact CE2-CG1 4.2Å; F653-P802 HydrophobicContact CD2-CG 4.36Å; F653-P802 HydrophobicContact CE2-CG 3.72Å; F653-P802 WeakPolarHBondContact CE2-O 3.25Å; F653-P802 HydrophobicContact CZ-CG 4.41Å; F653-P802 WeakPolarHBondContact CZ-O 3.33Å; F653-T805 HydrophobicContact CB-CG2 3.44Å; F653-T805 VanDerWaalsContact CB-CG2 3.44Å; F653-T805 HydrophobicContact CD1-CG2 3.72Å; F653-T805 HydrophobicContact CD2-CG2 4.12Å; F653-T805 HydrophobicContact CG-CG2 3.48Å; F653-T805 VanDerWaalsContact CG-CG2 3.48Å
654E96.5Very high95.9Very high115 Ų11549.7 Ų49.754%0.53724%0.238SC..Hα-helixtrans-58.9-43.4174-77.8176.1178.900112D650 H651 H652 R656 I657 N658D650-E654 WeakPolarHBondContact O-CB 3.49Å; D650-E654 VanDerWaalsContact O-CG 3.29Å; D650-E654 WeakPolarHBondContact O-CG 3.32Å; D650-E654 PolarHBondContact O-N 2.82Å; H651-E654 PolarHBondContact O-N 2.77Å; H652-E654 VanDerWaalsContact C-N 3.34Å; H652-E654 PolarHBondContact O-N 3.43Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-I657 PolarHBondContact O-N 2.86Å; E654-N658 WeakPolarHBondContact O-CB 3.46Å; E654-N658 PolarHBondContact O-N 2.88Å; E654-N658 PolarHBondContact O-ND2 3.43Å
655L96.3Very high96.1Very high18 Ų1850.1 Ų50.19%0.09424%0.242CC..Hα-helixtrans-65.5-36.2175.7-73.2169.1000112.2H651 H652 F653 N658 G659 N716 N719 L720H651-L655 PolarHBondContact O-N 3.17Å; H651-L655 VanDerWaalsContact O-N 3.16Å; H652-L655 PolarHBondContact O-N 3.36Å; F653-L655 VanDerWaalsContact C-N 3.34Å; F653-L655 PolarHBondContact O-N 2.7Å; L655-N658 PolarHBondContact O-N 2.87Å; L655-G659 PolarHBondContact O-N 3.34Å; L655-N716 PolarHBondContact O-ND2 3.41Å; L655-N716 PolarHBondContact O-OD1 3.48Å; L655-N719 HydrophobicContact CD1-CB 4.3Å; L655-N719 HydrophobicContact CD2-CB 4.04Å; L655-L720 HydrophobicContact CB-CB 4.26Å; L655-L720 HydrophobicContact CB-CD1 3.89Å
656R94.9Very high96.1Very high20 Ų2052 Ų528%0.07525%0.252CS..Hα-helixtrans-63.2-49.6173.8-68.9-176.161.51540.8112.2H652 F653 E654 N658 G659 E660 L720 D762 E769 E770H652-R656 PolarHBondContact O-N 3.49Å; H652-R656 VanDerWaalsContact O-N 3.08Å; F653-R656 WeakPolarHBondContact O-CB 3.34Å; F653-R656 PolarHBondContact O-N 3.47Å; E654-R656 VanDerWaalsContact C-N 3.34Å; R656-N658 VanDerWaalsContact C-N 3.28Å; R656-N658 PolarHBondContact O-N 2.63Å; R656-G659 WeakPolarHBondContact O-CA 3.43Å; R656-G659 PolarHBondContact O-N 3.15Å; R656-G659 VanDerWaalsContact O-N 3.1Å; R656-E660 PolarHBondContact O-N 3.39Å; R656-L720 HydrophobicContact CG-CD1 3.49Å; R656-L720 VanDerWaalsContact CG-CD1 3.49Å; R656-L720 HydrophobicContact CG-CD2 4.01Å; R656-L720 HydrophobicContact CG-CG 4.41Å; R656-D762 IonicContact CZ-OD1 3.62Å; R656-D762 IonicContact NH1-OD1 3.63Å; R656-D762 PolarHBondContact NH1-OD1 3.13Å; R656-E769 WeakPolarHBondContact CD-OE2 3.15Å; R656-E769 IonicContact CZ-OE2 2.87Å; R656-E769 IonicContact NE-OE2 3.36Å; R656-E769 IonicContact NH1-OE2 2.91Å; R656-E769 PolarHBondContact NH1-OE2 3.07Å; R656-E770 IonicContact CZ-OE1 3.61Å; R656-E770 IonicContact CZ-OE2 3.71Å; R656-E770 IonicContact NH1-OE1 3.52Å; R656-E770 IonicContact NH1-OE2 2.85Å; R656-E770 PolarHBondContact NH1-OE2 2.81Å; R656-E770 IonicContact NH2-OE1 3.61Å; R656-E770 PolarHBondContact NH2-OE1 2.67Å; R656-E770 IonicContact NH2-OE2 3.55Å; R656-E770 PolarHBondContact NH2-OE2 2.87Å
657I94.5Very high96.1Very high36 Ų3654.6 Ų54.619%0.18527%0.272CS..Hα-helixtrans-64.3-34.7178.6-66.4-63.1000111.5F653 E654 K661 I801F653-I657 HydrophobicContact CD1-CG1 4.13Å; F653-I657 HydrophobicContact CE1-CD1 4.17Å; F653-I657 HydrophobicContact CE1-CG1 3.64Å; F653-I657 HydrophobicContact CE2-CD1 4.15Å; F653-I657 HydrophobicContact CE2-CG1 4.12Å; F653-I657 HydrophobicContact CZ-CD1 3.68Å; F653-I657 HydrophobicContact CZ-CG1 3.63Å; F653-I657 WeakPolarHBondContact O-CG1 3.48Å; F653-I657 PolarHBondContact O-N 3.06Å; E654-I657 PolarHBondContact O-N 2.86Å; I657-K661 HydrophobicContact CG2-CD 4.32Å; I657-K661 VanDerWaalsContact O-CG 3.3Å; I657-K661 WeakPolarHBondContact O-CG 3.46Å; I657-K661 PolarHBondContact O-N 3.39Å; I657-K661 VanDerWaalsContact O-N 3.1Å; I657-I801 HydrophobicContact CD1-CD1 3.95Å
658N95.7Very high96.2Very high70 Ų7054.8 Ų54.837%0.37427%0.273SS..Hα-helixtrans-66.8-39.8172.8-71.2-22.2000111.6E654 L655 R656 K661 L662E654-N658 WeakPolarHBondContact O-CB 3.46Å; E654-N658 PolarHBondContact O-N 2.88Å; E654-N658 PolarHBondContact O-ND2 3.43Å; L655-N658 PolarHBondContact O-N 2.87Å; R656-N658 VanDerWaalsContact C-N 3.28Å; R656-N658 PolarHBondContact O-N 2.63Å; N658-K661 PolarHBondContact O-N 3.44Å; N658-L662 WeakPolarHBondContact O-CB 3.49Å; N658-L662 VanDerWaalsContact O-CG 3.29Å; N658-L662 WeakPolarHBondContact O-CG 3.49Å; N658-L662 PolarHBondContact O-N 3.22Å
659G94.9Very high96.2Very high9 Ų956.7 Ų56.79%0.09328%0.279CS..Hα-helixtrans-58.1-50.3172.900000112.2L655 R656 K661 L662 E663 N716L655-G659 PolarHBondContact O-N 3.34Å; R656-G659 WeakPolarHBondContact O-CA 3.43Å; R656-G659 PolarHBondContact O-N 3.15Å; R656-G659 VanDerWaalsContact O-N 3.1Å; G659-K661 PolarHBondContact O-N 2.83Å; G659-L662 PolarHBondContact O-N 3.27Å; G659-L662 VanDerWaalsContact O-N 3.14Å; G659-E663 WeakPolarHBondContact O-CG 3.05Å; G659-E663 PolarHBondContact O-N 3.27Å; G659-N716 WeakPolarHBondContact CA-ND2 3.39Å; G659-N716 PolarHBondContact N-ND2 3.19Å
660E94Very high96.2Very high83 Ų8358.2 Ų58.239%0.38829%0.292SS..Hα-helixtrans-57.5-46177.6-172.1179.2-159.800111.7R656 L662 E663 E664R656-E660 PolarHBondContact O-N 3.39Å; E660-L662 PolarHBondContact O-N 2.77Å; E660-E663 PolarHBondContact O-N 3.31Å; E660-E664 WeakPolarHBondContact O-CG 3.45Å; E660-E664 PolarHBondContact O-N 2.89Å
661K95.8Very high96.2Very high110 Ų11059.8 Ų59.848%0.47830%0.303SS..Hα-helixtrans-62.4-40.3176.1-71.3168.8-173.21650113I657 N658 G659 L665I657-K661 HydrophobicContact CG2-CD 4.32Å; I657-K661 VanDerWaalsContact O-CG 3.3Å; I657-K661 WeakPolarHBondContact O-CG 3.46Å; I657-K661 PolarHBondContact O-N 3.39Å; I657-K661 VanDerWaalsContact O-N 3.1Å; N658-K661 PolarHBondContact O-N 3.44Å; G659-K661 PolarHBondContact O-N 2.83Å; K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.45Å; K661-L665 PolarHBondContact O-N 2.8Å
662L96.7Very high96.2Very high37 Ų3759.4 Ų59.419%0.19430%0.301CS..Hα-helixtrans-67.5-40.4177.8-73.7170.5000111N658 G659 E660 L665 L666 L709 A712 V713 N716N658-L662 WeakPolarHBondContact O-CB 3.49Å; N658-L662 VanDerWaalsContact O-CG 3.29Å; N658-L662 WeakPolarHBondContact O-CG 3.49Å; N658-L662 PolarHBondContact O-N 3.22Å; G659-L662 PolarHBondContact O-N 3.27Å; G659-L662 VanDerWaalsContact O-N 3.14Å; E660-L662 PolarHBondContact O-N 2.77Å; L662-L665 PolarHBondContact O-N 2.92Å; L662-L666 VanDerWaalsContact O-CB 3.31Å; L662-L666 WeakPolarHBondContact O-CB 3.42Å; L662-L666 PolarHBondContact O-N 2.85Å; L662-L709 HydrophobicContact CD2-CD2 4.13Å; L662-A712 HydrophobicContact CD1-CB 4.37Å; L662-A712 HydrophobicContact CD2-CB 4.22Å; L662-V713 HydrophobicContact CB-CG2 3.65Å; L662-N716 HydrophobicContact CD1-CB 3.94Å
663E95.7Very high96.2Very high66 Ų6661.6 Ų61.631%0.30831%0.311SS..Hα-helixtrans-64.4-40.9174.6-72.9-175.1177.100112G659 E660 L666 S667 V713 Q764G659-E663 WeakPolarHBondContact O-CG 3.05Å; G659-E663 PolarHBondContact O-N 3.27Å; E660-E663 PolarHBondContact O-N 3.31Å; E663-L666 PolarHBondContact O-N 3.45Å; E663-S667 WeakPolarHBondContact O-CB 2.93Å; E663-S667 PolarHBondContact O-N 2.95Å; E663-V713 HydrophobicContact CG-CG1 4.43Å; E663-V713 HydrophobicContact CG-CG2 4.42Å; E663-Q764 PolarHBondContact OE1-NE2 3.09Å; E663-Q764 PolarHBondContact OE2-NE2 2.82Å
664E96.1Very high96.2Very high121 Ų12167.4 Ų67.457%0.56533%0.332SS*.Hα-helixtrans-60-48172.2-75.2-170.314300111.6E660 L666 S667 E668E660-E664 WeakPolarHBondContact O-CG 3.45Å; E660-E664 PolarHBondContact O-N 2.89Å; E664-L666 VanDerWaalsContact C-N 3.33Å; E664-L666 PolarHBondContact O-N 3.36Å; E664-S667 WeakPolarHBondContact O-CB 3.27Å; E664-S667 PolarHBondContact O-N 2.82Å; E664-E668 WeakPolarHBondContact O-CG 3.35Å; E664-E668 PolarHBondContact O-N 2.84Å
665L97.3Very high96.1Very high70 Ų7064.8 Ų64.837%0.36633%0.33SS..Hα-helixtrans-61.5-40.9176.3-73.9168.5000112.1K661 L662 S667 E668 R669 L709K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.45Å; K661-L665 PolarHBondContact O-N 2.8Å; L662-L665 PolarHBondContact O-N 2.92Å; L665-S667 VanDerWaalsContact C-N 3.35Å; L665-E668 PolarHBondContact O-N 2.83Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.84Å; L665-L709 HydrophobicContact CB-CD1 4.14Å; L665-L709 HydrophobicContact CB-CD2 4.07Å
666L97.4Very high96Very high41 Ų4164.7 Ų64.722%0.21533%0.329CS..Hα-helixtrans-64.3-42176.5-179.560.2000110.6L662 E663 E664 R669 A670 V706 L709 V713L662-L666 VanDerWaalsContact O-CB 3.31Å; L662-L666 WeakPolarHBondContact O-CB 3.42Å; L662-L666 PolarHBondContact O-N 2.85Å; E663-L666 PolarHBondContact O-N 3.45Å; E664-L666 VanDerWaalsContact C-N 3.33Å; E664-L666 PolarHBondContact O-N 3.36Å; L666-R669 PolarHBondContact O-N 2.85Å; L666-A670 VanDerWaalsContact O-CB 3.3Å; L666-A670 WeakPolarHBondContact O-CB 3.28Å; L666-A670 PolarHBondContact O-N 3.28Å; L666-V706 HydrophobicContact CD1-CG1 3.95Å; L666-L709 HydrophobicContact CB-CB 4.28Å; L666-L709 HydrophobicContact CD1-CB 3.89Å; L666-V713 HydrophobicContact CD2-CG2 4.36Å
667S97.5Very high95.9Very high74 Ų7467.8 Ų67.852%0.51735%0.345SS..Hα-helixtrans-59.1-47.3174.5-176.50000111.4E663 E664 L665 R669 A670 V671E663-S667 WeakPolarHBondContact O-CB 2.93Å; E663-S667 PolarHBondContact O-N 2.95Å; E664-S667 WeakPolarHBondContact O-CB 3.27Å; E664-S667 PolarHBondContact O-N 2.82Å; L665-S667 VanDerWaalsContact C-N 3.35Å; S667-R669 PolarHBondContact O-N 2.87Å; S667-A670 PolarHBondContact O-N 3.41Å; S667-V671 WeakPolarHBondContact O-CG2 3.45Å; S667-V671 PolarHBondContact O-N 2.74Å
668E97.2Very high95.9Very high112 Ų11274.7 Ų74.752%0.52337%0.368SS..Hα-helixtrans-57.8-47174.9-70.3-179.6176.800112.2E664 L665 V671 Q672E664-E668 WeakPolarHBondContact O-CG 3.35Å; E664-E668 PolarHBondContact O-N 2.84Å; L665-E668 PolarHBondContact O-N 2.83Å; E668-V671 PolarHBondContact O-N 2.88Å; E668-Q672 WeakPolarHBondContact O-CB 3.05Å; E668-Q672 PolarHBondContact O-N 2.83Å
669R96.6Very high95.7Very high61 Ų6178.3 Ų78.323%0.2338%0.377CS..Hα-helixtrans-67.7-36.2179.1-68.6-60.2173.8-76.4-2.2112.5L665 L666 S667 Q672 F673 T702 Q705 V706 L709L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.84Å; L666-R669 PolarHBondContact O-N 2.85Å; S667-R669 PolarHBondContact O-N 2.87Å; R669-Q672 PolarHBondContact O-N 3.28Å; R669-F673 WeakPolarHBondContact O-CB 3.42Å; R669-F673 PolarHBondContact O-N 3.04Å; R669-T702 WeakPolarHBondContact O-CG2 3.36Å; R669-Q705 HydrophobicContact CG-CB 4.44Å; R669-V706 HydrophobicContact CB-CG2 3.78Å; R669-L709 HydrophobicContact CB-CD1 4.15Å; R669-L709 HydrophobicContact CG-CD1 3.57Å
670A97.1Very high95.4Very high32 Ų3278.3 Ų78.326%0.26438%0.375SS..Hα-helixtrans-65.5-40.6174.100000111.7L666 S667 F673 R674L666-A670 VanDerWaalsContact O-CB 3.3Å; L666-A670 WeakPolarHBondContact O-CB 3.28Å; L666-A670 PolarHBondContact O-N 3.28Å; S667-A670 PolarHBondContact O-N 3.41Å; A670-F673 PolarHBondContact O-N 3.31Å; A670-R674 WeakPolarHBondContact O-CB 3.45Å; A670-R674 PolarHBondContact O-N 3.01Å
671V97.5Very high95.3Very high79 Ų7979.3 Ų79.348%0.47938%0.382SS..Hα-helixtrans-63.1-44.3173.7171.40000110.8S667 E668 R674 A675S667-V671 WeakPolarHBondContact O-CG2 3.45Å; S667-V671 PolarHBondContact O-N 2.74Å; E668-V671 PolarHBondContact O-N 2.88Å; V671-R674 PolarHBondContact O-N 2.83Å; V671-A675 WeakPolarHBondContact O-CB 3.06Å; V671-A675 PolarHBondContact O-N 3.33Å
672Q96Very high94.9Very high77 Ų7776.7 Ų76.736%0.3638%0.381SS..Hα-helixtrans-60.3-48175.3-176.4179.2700111.6E668 R669 R674 A675 I676 T702E668-Q672 WeakPolarHBondContact O-CB 3.05Å; E668-Q672 PolarHBondContact O-N 2.83Å; R669-Q672 PolarHBondContact O-N 3.28Å; Q672-R674 PolarHBondContact O-N 2.85Å; Q672-A675 PolarHBondContact O-N 3.47Å; Q672-I676 HydrophobicContact CG-CD1 3.93Å; Q672-I676 WeakPolarHBondContact O-CG1 3.49Å; Q672-I676 PolarHBondContact O-N 2.61Å; Q672-T702 HydrophobicContact CB-CG2 4.15Å; Q672-T702 HydrophobicContact CG-CG2 4.04Å
673F96.3Very high94.4Very high47 Ų4779.5 Ų79.521%0.20639%0.389CS..Hα-helixtrans-57.6-49.3178-176.7-91.5000110.9R669 A670 A675 I676 Q677 L699 T702 Y703R669-F673 WeakPolarHBondContact O-CB 3.42Å; R669-F673 PolarHBondContact O-N 3.04Å; A670-F673 PolarHBondContact O-N 3.31Å; F673-A675 VanDerWaalsContact C-N 3.31Å; F673-A675 PolarHBondContact O-N 2.92Å; F673-I676 PolarHBondContact O-N 2.88Å; F673-Q677 WeakPolarHBondContact O-CB 3.42Å; F673-Q677 PolarHBondContact O-N 2.87Å; F673-L699 HydrophobicContact CD2-CD1 3.66Å; F673-L699 HydrophobicContact CD2-CG 4.23Å; F673-L699 HydrophobicContact CE1-CD1 4.29Å; F673-L699 HydrophobicContact CE2-CD1 3.38Å; F673-L699 HydrophobicContact CE2-CD2 4.41Å; F673-L699 HydrophobicContact CE2-CG 3.6Å; F673-L699 HydrophobicContact CG-CD1 4.22Å; F673-L699 HydrophobicContact CZ-CD1 3.74Å; F673-L699 HydrophobicContact CZ-CD2 4.46Å; F673-L699 HydrophobicContact CZ-CG 4.08Å; F673-T702 HydrophobicContact CB-CG2 3.85Å; F673-T702 HydrophobicContact CD2-CG2 4.43Å; F673-Y703 HydrophobicContact CE2-CD2 4.16Å; F673-Y703 HydrophobicContact CE2-CG 4.42Å
674R96.1Very high94Very high138 Ų13882.7 Ų82.752%0.52140%0.402SS..Hα-helixtrans-60.3-39.6177.8-167.2-173.9-58.5125.51.5111.9A670 V671 Q672 R678A670-R674 WeakPolarHBondContact O-CB 3.45Å; A670-R674 PolarHBondContact O-N 3.01Å; V671-R674 PolarHBondContact O-N 2.83Å; Q672-R674 PolarHBondContact O-N 2.85Å; R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 VanDerWaalsContact O-CG 3.25Å; R674-R678 WeakPolarHBondContact O-CG 3.44Å; R674-R678 PolarHBondContact O-N 3.41Å
675A95.2Very high93.7Very high59 Ų5985.9 Ų85.949%0.48841%0.414SS..Hα-helixtrans-64.9-44.2177.600000112.2V671 Q672 F673 R679V671-A675 WeakPolarHBondContact O-CB 3.06Å; V671-A675 PolarHBondContact O-N 3.33Å; Q672-A675 PolarHBondContact O-N 3.47Å; F673-A675 VanDerWaalsContact C-N 3.31Å; F673-A675 PolarHBondContact O-N 2.92Å; A675-R679 PolarHBondContact O-N 2.8Å; A675-R679 VanDerWaalsContact O-N 3.13Å
676I93.6Very high93.2Very high17 Ų1786.5 Ų86.59%0.08742%0.418CS..Hα-helixtrans-64.9-46.2176.7-61.1160.3000110.2Q672 F673 R678 R679 L680 L695 L698 L699 T702Q672-I676 HydrophobicContact CG-CD1 3.93Å; Q672-I676 WeakPolarHBondContact O-CG1 3.49Å; Q672-I676 PolarHBondContact O-N 2.61Å; F673-I676 PolarHBondContact O-N 2.88Å; I676-R678 PolarHBondContact O-N 3.37Å; I676-R679 WeakPolarHBondContact O-CA 3.37Å; I676-R679 WeakPolarHBondContact O-CB 3.49Å; I676-R679 PolarHBondContact O-N 2.79Å; I676-R679 VanDerWaalsContact O-N 3.07Å; I676-L680 PolarHBondContact O-N 3.19Å; I676-L695 HydrophobicContact CG2-CD2 4.49Å; I676-L695 WeakPolarHBondContact CG2-O 3.41Å; I676-L698 HydrophobicContact CD1-CB 4.07Å; I676-L698 HydrophobicContact CG2-CB 4.39Å; I676-L699 HydrophobicContact CB-CD1 4.09Å; I676-L699 HydrophobicContact CG2-CB 3.98Å; I676-L699 HydrophobicContact CG2-CD1 3.89Å; I676-T702 WeakPolarHBondContact CD1-OG1 3.5Å
677Q93.8Very high92.8Very high85 Ų8594.7 Ų94.740%0.39745%0.452SS..Hα-helixtrans-60.8-44178.4-168.4-175.523.100111.9F673 R679 L680 L681 L699F673-Q677 WeakPolarHBondContact O-CB 3.42Å; F673-Q677 PolarHBondContact O-N 2.87Å; Q677-R679 VanDerWaalsContact C-N 3.26Å; Q677-R679 PolarHBondContact O-N 2.81Å; Q677-L680 WeakPolarHBondContact O-CB 3.47Å; Q677-L680 PolarHBondContact O-N 2.87Å; Q677-L680 VanDerWaalsContact O-N 3.16Å; Q677-L681 HydrophobicContact CG-CD1 4.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.26Å; Q677-L681 PolarHBondContact O-N 3.38Å; Q677-L699 HydrophobicContact CB-CD1 4.04Å
678R93.7Very high92.1Very high181 Ų18195.5 Ų95.568%0.68345%0.454SS*.Hα-helixtrans-60-36.6173.9-76.1175.971.3-177.64.1112R674 I676 A682R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 VanDerWaalsContact O-CG 3.25Å; R674-R678 WeakPolarHBondContact O-CG 3.44Å; R674-R678 PolarHBondContact O-N 3.41Å; I676-R678 PolarHBondContact O-N 3.37Å; R678-A682 WeakPolarHBondContact O-CB 3.48Å; R678-A682 PolarHBondContact O-N 3.42Å
679R90.5Very high91.3Very high145 Ų14596.7 Ų96.755%0.54747%0.471SS..Hα-helixtrans-67.4-41.4175.2-166.166.6122.1-176.8-2.4111.5A675 I676 Q677 A682 R683 L695A675-R679 PolarHBondContact O-N 2.8Å; A675-R679 VanDerWaalsContact O-N 3.13Å; I676-R679 WeakPolarHBondContact O-CA 3.37Å; I676-R679 WeakPolarHBondContact O-CB 3.49Å; I676-R679 PolarHBondContact O-N 2.79Å; I676-R679 VanDerWaalsContact O-N 3.07Å; Q677-R679 VanDerWaalsContact C-N 3.26Å; Q677-R679 PolarHBondContact O-N 2.81Å; R679-A682 PolarHBondContact O-N 2.85Å; R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.49Å; R679-R683 PolarHBondContact O-N 2.94Å; R679-L695 HydrophobicContact CB-CD1 4.35Å; R679-L695 HydrophobicContact CG-CD1 3.82Å; R679-L695 HydrophobicContact CG-CD2 4.26Å
680L89.5Confident90.4Very high10 Ų1095.7 Ų95.75%0.05248%0.476CS..Hα-helixtrans-62.2-47.9173.1-86.5165000111.9I676 Q677 A682 R683 F684 L692 L695 L699I676-L680 PolarHBondContact O-N 3.19Å; Q677-L680 WeakPolarHBondContact O-CB 3.47Å; Q677-L680 PolarHBondContact O-N 2.87Å; Q677-L680 VanDerWaalsContact O-N 3.16Å; L680-A682 VanDerWaalsContact C-N 3.3Å; L680-A682 PolarHBondContact O-N 3.28Å; L680-R683 CarbonylContact O-C 3.54Å; L680-R683 WeakPolarHBondContact O-CA 3.48Å; L680-R683 WeakPolarHBondContact O-CB 3.37Å; L680-R683 PolarHBondContact O-N 2.99Å; L680-F684 HydrophobicContact CB-CE2 4.11Å; L680-F684 HydrophobicContact CD2-CE2 4.37Å; L680-F684 HydrophobicContact CD2-CZ 4.06Å; L680-F684 WeakPolarHBondContact O-CD2 3.44Å; L680-F684 WeakPolarHBondContact O-CG 3.25Å; L680-F684 PolarHBondContact O-N 3.1Å; L680-L692 HydrophobicContact CD2-CB 4.5Å; L680-L692 HydrophobicContact CD2-CD2 4.37Å; L680-L695 HydrophobicContact CD1-CB 4.26Å; L680-L695 HydrophobicContact CD2-CB 3.85Å; L680-L695 HydrophobicContact CD2-CD1 4.31Å; L680-L695 HydrophobicContact CG-CB 3.84Å; L680-L695 HydrophobicContact CG-CD1 4.3Å; L680-L699 HydrophobicContact CD1-CB 4.21Å; L680-L699 HydrophobicContact CD1-CD2 3.76Å; L680-L699 HydrophobicContact CD1-CG 4.4Å
681L90.8Very high89.5Confident103 Ų10399.7 Ų99.754%0.53950%0.499SS..Hα-helixtrans-58.6-41.4176.2-71.9172.1000112.2Q677 R683 F684 K685Q677-L681 HydrophobicContact CG-CD1 4.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.26Å; Q677-L681 PolarHBondContact O-N 3.38Å; L681-R683 VanDerWaalsContact C-N 3.3Å; L681-R683 PolarHBondContact O-N 2.76Å; L681-F684 PolarHBondContact O-N 3.16Å; L681-K685 WeakPolarHBondContact O-CB 3.49Å; L681-K685 PolarHBondContact O-N 3.15Å
682A89.3Confident88.6Confident55 Ų5599 Ų9946%0.45549%0.492SS..Hα-helixtrans-64-34.9174.600000112.4R678 R679 L680 D686R678-A682 WeakPolarHBondContact O-CB 3.48Å; R678-A682 PolarHBondContact O-N 3.42Å; R679-A682 PolarHBondContact O-N 2.85Å; L680-A682 VanDerWaalsContact C-N 3.3Å; L680-A682 PolarHBondContact O-N 3.28Å; A682-D686 PolarHBondContact O-N 3.13Å
683R86.1Confident87.6Confident97 Ų97102.4 Ų102.437%0.36651%0.508SS..Hα-helixtrans-72.8-37.9174.4-68.1-73.8-176.9-95.82.8112.3R679 L680 L681 K685 D686 L692 L695R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.49Å; R679-R683 PolarHBondContact O-N 2.94Å; L680-R683 CarbonylContact O-C 3.54Å; L680-R683 WeakPolarHBondContact O-CA 3.48Å; L680-R683 WeakPolarHBondContact O-CB 3.37Å; L680-R683 PolarHBondContact O-N 2.99Å; L681-R683 VanDerWaalsContact C-N 3.3Å; L681-R683 PolarHBondContact O-N 2.76Å; R683-K685 VanDerWaalsContact C-N 3.33Å; R683-K685 PolarHBondContact O-N 2.97Å; R683-D686 WeakPolarHBondContact O-CB 3.14Å; R683-D686 PolarHBondContact O-N 3.33Å; R683-L692 HydrophobicContact CB-CD2 3.83Å; R683-L695 HydrophobicContact CG-CD1 4.31Å
684F87.4Confident87Confident132 Ų132106.6 Ų106.658%0.57953%0.528SS*.Hα-helixtrans-68.1-30.5175.6-66.8-40.2000113.2L680 L681 D686 L692L680-F684 HydrophobicContact CB-CE2 4.11Å; L680-F684 HydrophobicContact CD2-CE2 4.37Å; L680-F684 HydrophobicContact CD2-CZ 4.06Å; L680-F684 WeakPolarHBondContact O-CD2 3.44Å; L680-F684 WeakPolarHBondContact O-CG 3.25Å; L680-F684 PolarHBondContact O-N 3.1Å; L681-F684 PolarHBondContact O-N 3.16Å; F684-D686 VanDerWaalsContact C-N 3.28Å; F684-L692 HydrophobicContact CD1-CD1 4.43Å; F684-L692 HydrophobicContact CE1-CD1 3.78Å; F684-L692 HydrophobicContact CE1-CD2 4.33Å
685K89.1Confident86.5Confident189 Ų189101.8 Ų101.882%0.82251%0.513SS*.Hα-helixtrans-73.1-22.9173.9-167.7172.7-178.9177.40112.5L681 R683L681-K685 WeakPolarHBondContact O-CB 3.49Å; L681-K685 PolarHBondContact O-N 3.15Å; R683-K685 VanDerWaalsContact C-N 3.33Å; R683-K685 PolarHBondContact O-N 2.97Å
686D87.3Confident86Confident83 Ų83103.7 Ų103.744%0.44451%0.514SS..SBendtrans-75.8133.2175.5-160.9-36.3000110.1A682 R683 F684 T688A682-D686 PolarHBondContact O-N 3.13Å; R683-D686 WeakPolarHBondContact O-CB 3.14Å; R683-D686 PolarHBondContact O-N 3.33Å; F684-D686 VanDerWaalsContact C-N 3.28Å; D686-T688 VanDerWaalsContact C-N 3.29Å; D686-T688 VanDerWaalsContact CG-OG1 3.25Å; D686-T688 PolarHBondContact OD1-N 3.33Å; D686-T688 PolarHBondContact OD1-OG1 2.92Å; D686-T688 PolarHBondContact OD2-OG1 3.5Å
687K87.9Confident85.9Confident213 Ų213107.4 Ų107.493%0.92654%0.538SS*.SBendtrans-79-13.8178.4-65.8-172.5178.5-176.20112.6
688T84Confident85.9Confident91 Ų91107.7 Ų107.756%0.55854%0.542SS*.SBendtrans-84.1126178.148.80000111.3D686 A690D686-T688 VanDerWaalsContact C-N 3.29Å; D686-T688 VanDerWaalsContact CG-OG1 3.25Å; D686-T688 PolarHBondContact OD1-N 3.33Å; D686-T688 PolarHBondContact OD1-OG1 2.92Å; D686-T688 PolarHBondContact OD2-OG1 3.5Å; T688-A690 PolarHBondContact O-N 3.19Å; T688-A690 VanDerWaalsContact O-N 3.15Å
689P79.4Confident85.9Confident136 Ų136100.5 Ų100.588%0.88352%0.517SS*.  trans-66.7116.6178.626.4-32.4000109.8
690A78.3Confident86.1Confident41 Ų4197 Ų9734%0.33951%0.509SS..  trans-115.6147171.600000109.6T688 L692T688-A690 PolarHBondContact O-N 3.19Å; T688-A690 VanDerWaalsContact O-N 3.15Å; A690-L692 WeakPolarHBondContact O-CG 3.4Å; A690-L692 PolarHBondContact O-N 2.83Å; A690-L692 VanDerWaalsContact O-N 3.12Å
691P78.6Confident86.4Confident116 Ų11697.9 Ų97.975%0.75352%0.521SS*.  trans-59.6116.8176.3-21.832.5000111.4
692L77.7Confident86.6Confident63 Ų6393.1 Ų93.133%0.3350%0.496SS..  trans-94.7-19.2-177.7-53.3163.2000112.7L680 R683 F684 A690 H694 L695 D696L680-L692 HydrophobicContact CD2-CB 4.5Å; L680-L692 HydrophobicContact CD2-CD2 4.37Å; R683-L692 HydrophobicContact CB-CD2 3.83Å; F684-L692 HydrophobicContact CD1-CD1 4.43Å; F684-L692 HydrophobicContact CE1-CD1 3.78Å; F684-L692 HydrophobicContact CE1-CD2 4.33Å; A690-L692 WeakPolarHBondContact O-CG 3.4Å; A690-L692 PolarHBondContact O-N 2.83Å; A690-L692 VanDerWaalsContact O-N 3.12Å; L692-H694 PolarHBondContact O-N 3.16Å; L692-L695 PolarHBondContact O-N 3.26Å; L692-D696 PolarHBondContact O-N 2.88Å; L692-D696 VanDerWaalsContact O-N 3.16Å
693Q74.9Confident86.9Confident150 Ų15096.3 Ų96.370%0.70150%0.497SS*.Hα-helixtrans-52.4-36.7-164.9-70.9177.3-11.100113.1T697Q693-T697 WeakPolarHBondContact O-CG2 3.36Å; Q693-T697 PolarHBondContact O-N 3.2Å; Q693-T697 VanDerWaalsContact O-N 3.12Å; Q693-T697 PolarHBondContact O-OG1 2.84Å
694H83.7Confident87.5Confident135 Ų13597.7 Ų97.763%0.62551%0.505SS*.Hα-helixtrans-75.6-31.8-175.1-5221.1000111.6L692 T697 L698L692-H694 PolarHBondContact O-N 3.16Å; H694-T697 WeakPolarHBondContact CA-OG1 3.29Å; H694-T697 PolarHBondContact O-OG1 3.32Å; H694-L698 WeakPolarHBondContact O-CB 3.35Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.15Å; H694-L698 PolarHBondContact O-N 2.81Å
695L86Confident87.9Confident37 Ų3795.2 Ų95.219%0.19450%0.496CS..Hα-helixtrans-75.3-36.3176.8-69.5177.2000111.2I676 R679 L680 R683 L692 L698 L699I676-L695 HydrophobicContact CG2-CD2 4.49Å; I676-L695 WeakPolarHBondContact CG2-O 3.41Å; R679-L695 HydrophobicContact CB-CD1 4.35Å; R679-L695 HydrophobicContact CG-CD1 3.82Å; R679-L695 HydrophobicContact CG-CD2 4.26Å; L680-L695 HydrophobicContact CD1-CB 4.26Å; L680-L695 HydrophobicContact CD2-CB 3.85Å; L680-L695 HydrophobicContact CD2-CD1 4.31Å; L680-L695 HydrophobicContact CG-CB 3.84Å; L680-L695 HydrophobicContact CG-CD1 4.3Å; R683-L695 HydrophobicContact CG-CD1 4.31Å; L692-L695 PolarHBondContact O-N 3.26Å; L695-L698 PolarHBondContact O-N 2.96Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.49Å
696D85.1Confident88.3Confident98 Ų9887.7 Ų87.752%0.52447%0.465SS..Hα-helixtrans-67.8-43.9177.6-161.212.7000111.4L692 L698 L699 D700L692-D696 PolarHBondContact O-N 2.88Å; L692-D696 VanDerWaalsContact O-N 3.16Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 2.93Å; D696-L699 WeakPolarHBondContact O-CB 3.44Å; D696-L699 PolarHBondContact O-N 3.47Å; D696-L699 VanDerWaalsContact O-N 3.08Å; D696-D700 PolarHBondContact O-N 2.99Å
697T91.2Very high88.8Confident96 Ų9686.9 Ų86.959%0.58946%0.461SS*.Hα-helixtrans-61.7-36.5173.652.40000113.1Q693 H694 G701Q693-T697 WeakPolarHBondContact O-CG2 3.36Å; Q693-T697 PolarHBondContact O-N 3.2Å; Q693-T697 VanDerWaalsContact O-N 3.12Å; Q693-T697 PolarHBondContact O-OG1 2.84Å; H694-T697 WeakPolarHBondContact CA-OG1 3.29Å; H694-T697 PolarHBondContact O-OG1 3.32Å; T697-G701 PolarHBondContact O-N 3.12Å
698L93.3Very high89.2Confident91 Ų9179.5 Ų79.548%0.47644%0.439SS..Hα-helixtrans-69.3-37.2174.4-77.3172.6000111.3I676 H694 L695 D696 T702I676-L698 HydrophobicContact CD1-CB 4.07Å; I676-L698 HydrophobicContact CG2-CB 4.39Å; H694-L698 WeakPolarHBondContact O-CB 3.35Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.15Å; H694-L698 PolarHBondContact O-N 2.81Å; L695-L698 PolarHBondContact O-N 2.96Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 2.93Å; L698-T702 WeakPolarHBondContact O-CB 3.48Å; L698-T702 PolarHBondContact O-N 2.48Å; L698-T702 PolarHBondContact O-OG1 3.3Å
699L93.8Very high89.9Confident30 Ų3076.6 Ų76.616%0.15742%0.42CS..Hα-helixtrans-65-50.1177.8-167.775.2000110.5F673 I676 Q677 L680 L695 D696 T702 Y703F673-L699 HydrophobicContact CD2-CD1 3.66Å; F673-L699 HydrophobicContact CD2-CG 4.23Å; F673-L699 HydrophobicContact CE1-CD1 4.29Å; F673-L699 HydrophobicContact CE2-CD1 3.38Å; F673-L699 HydrophobicContact CE2-CD2 4.41Å; F673-L699 HydrophobicContact CE2-CG 3.6Å; F673-L699 HydrophobicContact CG-CD1 4.22Å; F673-L699 HydrophobicContact CZ-CD1 3.74Å; F673-L699 HydrophobicContact CZ-CD2 4.46Å; F673-L699 HydrophobicContact CZ-CG 4.08Å; I676-L699 HydrophobicContact CB-CD1 4.09Å; I676-L699 HydrophobicContact CG2-CB 3.98Å; I676-L699 HydrophobicContact CG2-CD1 3.89Å; Q677-L699 HydrophobicContact CB-CD1 4.04Å; L680-L699 HydrophobicContact CD1-CB 4.21Å; L680-L699 HydrophobicContact CD1-CD2 3.76Å; L680-L699 HydrophobicContact CD1-CG 4.4Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.49Å; D696-L699 WeakPolarHBondContact O-CB 3.44Å; D696-L699 PolarHBondContact O-N 3.47Å; D696-L699 VanDerWaalsContact O-N 3.08Å; L699-T702 PolarHBondContact O-N 3.1Å; L699-Y703 VanDerWaalsContact O-CB 3.29Å; L699-Y703 WeakPolarHBondContact O-CB 3.34Å; L699-Y703 PolarHBondContact O-N 2.88Å
700D94.3Very high90.7Very high72 Ų7271.5 Ų71.539%0.38539%0.39SS..Hα-helixtrans-62.8-42.2177.4-17852.7000112D696 T702 Y703 K704D696-D700 PolarHBondContact O-N 2.99Å; D700-T702 VanDerWaalsContact C-N 3.35Å; D700-T702 PolarHBondContact O-N 3.26Å; D700-Y703 WeakPolarHBondContact O-CB 3.4Å; D700-Y703 PolarHBondContact O-N 3.32Å; D700-K704 WeakPolarHBondContact O-CG 3.34Å; D700-K704 PolarHBondContact O-N 3.25Å; D700-K704 IonicContact OD1-NZ 3.45Å; D700-K704 WeakPolarHBondContact OD2-CE 2.87Å; D700-K704 IonicContact OD2-NZ 4Å; D700-K704 PolarHBondContact OD2-NZ 2.89Å
701G95.1Very high91.6Very high28 Ų2874 Ų7429%0.28940%0.397SS..Hα-helixtrans-64.1-37175.400000113.5T697 Q705T697-G701 PolarHBondContact O-N 3.12Å; G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 3.47Å; G701-Q705 PolarHBondContact O-NE2 2.63Å
702T95.9Very high92.5Very high3 Ų369.9 Ų69.92%0.01837%0.373CS..Hα-helixtrans-74-39.2175.4-51.20000110.6R669 Q672 F673 I676 L698 L699 D700 Q705 V706R669-T702 WeakPolarHBondContact O-CG2 3.36Å; Q672-T702 HydrophobicContact CB-CG2 4.15Å; Q672-T702 HydrophobicContact CG-CG2 4.04Å; F673-T702 HydrophobicContact CB-CG2 3.85Å; F673-T702 HydrophobicContact CD2-CG2 4.43Å; I676-T702 WeakPolarHBondContact CD1-OG1 3.5Å; L698-T702 WeakPolarHBondContact O-CB 3.48Å; L698-T702 PolarHBondContact O-N 2.48Å; L698-T702 PolarHBondContact O-OG1 3.3Å; L699-T702 PolarHBondContact O-N 3.1Å; D700-T702 VanDerWaalsContact C-N 3.35Å; D700-T702 PolarHBondContact O-N 3.26Å; T702-Q705 WeakPolarHBondContact O-CB 3.25Å; T702-Q705 PolarHBondContact O-N 3.28Å; T702-V706 WeakPolarHBondContact O-CG2 3.35Å; T702-V706 PolarHBondContact O-N 2.95Å
703Y96.3Very high93.5Very high122 Ų12267.5 Ų67.548%0.47836%0.361SS..Hα-helixtrans-58.4-49.2176179.1-112000111.8F673 L699 D700 Q705 V706 I707F673-Y703 HydrophobicContact CE2-CD2 4.16Å; F673-Y703 HydrophobicContact CE2-CG 4.42Å; L699-Y703 VanDerWaalsContact O-CB 3.29Å; L699-Y703 WeakPolarHBondContact O-CB 3.34Å; L699-Y703 PolarHBondContact O-N 2.88Å; D700-Y703 WeakPolarHBondContact O-CB 3.4Å; D700-Y703 PolarHBondContact O-N 3.32Å; Y703-Q705 PolarHBondContact O-N 3.45Å; Y703-V706 WeakPolarHBondContact O-CA 3.46Å; Y703-V706 WeakPolarHBondContact O-CB 3.16Å; Y703-V706 PolarHBondContact O-N 2.84Å; Y703-I707 HydrophobicContact CD1-CG1 4.41Å; Y703-I707 HydrophobicContact CD2-CG1 4.39Å; Y703-I707 HydrophobicContact CE1-CG1 3.98Å; Y703-I707 HydrophobicContact CE2-CD1 3.91Å; Y703-I707 HydrophobicContact CE2-CG1 3.97Å; Y703-I707 WeakPolarHBondContact O-CG1 3.24Å; Y703-I707 PolarHBondContact O-N 2.97Å
704K97.1Very high94.5Very high125 Ų12566.4 Ų66.454%0.54336%0.356SS..Hα-helixtrans-57.6-37.2175.7-74.1168.6177.5160.90112.7D700 A708D700-K704 WeakPolarHBondContact O-CG 3.34Å; D700-K704 PolarHBondContact O-N 3.25Å; D700-K704 IonicContact OD1-NZ 3.45Å; D700-K704 WeakPolarHBondContact OD2-CE 2.87Å; D700-K704 IonicContact OD2-NZ 4Å; D700-K704 PolarHBondContact OD2-NZ 2.89Å; K704-A708 WeakPolarHBondContact O-CB 3.44Å; K704-A708 PolarHBondContact O-N 2.88Å
705Q97Very high95.1Very high81 Ų8166.2 Ų66.238%0.37936%0.355SS..Hα-helixtrans-69.5-39.1174.2-72170.261.800112.4R669 G701 T702 Y703 A708 L709R669-Q705 HydrophobicContact CG-CB 4.44Å; G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 3.47Å; G701-Q705 PolarHBondContact O-NE2 2.63Å; T702-Q705 WeakPolarHBondContact O-CB 3.25Å; T702-Q705 PolarHBondContact O-N 3.28Å; Y703-Q705 PolarHBondContact O-N 3.45Å; Q705-A708 PolarHBondContact O-N 3.14Å; Q705-L709 WeakPolarHBondContact O-CB 3.21Å; Q705-L709 WeakPolarHBondContact O-CG 3.36Å; Q705-L709 PolarHBondContact O-N 3.31Å
706V97.1Very high95.5Very high30 Ų3065.1 Ų65.118%0.18235%0.35CS..Hα-helixtrans-61.3-46.5174.8170.40000110.4L666 R669 T702 Y703 L709 A710L666-V706 HydrophobicContact CD1-CG1 3.95Å; R669-V706 HydrophobicContact CB-CG2 3.78Å; T702-V706 WeakPolarHBondContact O-CG2 3.35Å; T702-V706 PolarHBondContact O-N 2.95Å; Y703-V706 WeakPolarHBondContact O-CA 3.46Å; Y703-V706 WeakPolarHBondContact O-CB 3.16Å; Y703-V706 PolarHBondContact O-N 2.84Å; V706-L709 PolarHBondContact O-N 3.04Å; V706-A710 WeakPolarHBondContact O-CB 3.36Å; V706-A710 PolarHBondContact O-N 3.33Å
707I97.5Very high96Very high67 Ų6765 Ų6534%0.34435%0.346SS..Hα-helixtrans-62-49.1176.7-62.1-58.4000110.9Y703 L709 A710 D711Y703-I707 HydrophobicContact CD1-CG1 4.41Å; Y703-I707 HydrophobicContact CD2-CG1 4.39Å; Y703-I707 HydrophobicContact CE1-CG1 3.98Å; Y703-I707 HydrophobicContact CE2-CD1 3.91Å; Y703-I707 HydrophobicContact CE2-CG1 3.97Å; Y703-I707 WeakPolarHBondContact O-CG1 3.24Å; Y703-I707 PolarHBondContact O-N 2.97Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.39Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 3.28Å; I707-A710 VanDerWaalsContact O-N 3.09Å; I707-D711 PolarHBondContact O-N 3.28Å
708A97.3Very high96.1Very high58 Ų5861.6 Ų61.648%0.47933%0.33SS..Hα-helixtrans-60.9-35.5178.800000113.3K704 Q705 A712K704-A708 WeakPolarHBondContact O-CB 3.44Å; K704-A708 PolarHBondContact O-N 2.88Å; Q705-A708 PolarHBondContact O-N 3.14Å; A708-A712 WeakPolarHBondContact O-CB 3.45Å; A708-A712 PolarHBondContact O-N 3.16Å; A708-A712 VanDerWaalsContact O-N 3.1Å
709L97.5Very high96.1Very high30 Ų3060.4 Ų60.416%0.15732%0.324CS..Hα-helixtrans-72.9-37174.3-75.9169.6000112L662 L665 L666 R669 Q705 V706 I707 A712 V713L662-L709 HydrophobicContact CD2-CD2 4.13Å; L665-L709 HydrophobicContact CB-CD1 4.14Å; L665-L709 HydrophobicContact CB-CD2 4.07Å; L666-L709 HydrophobicContact CB-CB 4.28Å; L666-L709 HydrophobicContact CD1-CB 3.89Å; R669-L709 HydrophobicContact CB-CD1 4.15Å; R669-L709 HydrophobicContact CG-CD1 3.57Å; Q705-L709 WeakPolarHBondContact O-CB 3.21Å; Q705-L709 WeakPolarHBondContact O-CG 3.36Å; Q705-L709 PolarHBondContact O-N 3.31Å; V706-L709 PolarHBondContact O-N 3.04Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.39Å; L709-A712 PolarHBondContact O-N 3.49Å; L709-V713 VanDerWaalsContact O-CG2 3.27Å; L709-V713 WeakPolarHBondContact O-CG2 3.22Å; L709-V713 PolarHBondContact O-N 2.95Å
710A97.3Very high96.1Very high29 Ų2960.2 Ų60.224%0.2432%0.323CS..Hα-helixtrans-62.4-47.8174.300000111V706 I707 A712 V713 E714V706-A710 WeakPolarHBondContact O-CB 3.36Å; V706-A710 PolarHBondContact O-N 3.33Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 3.28Å; I707-A710 VanDerWaalsContact O-N 3.09Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 3.06Å; A710-V713 PolarHBondContact O-N 2.85Å; A710-V713 VanDerWaalsContact O-N 3.14Å; A710-E714 PolarHBondContact O-N 3.3Å
711D97.7Very high96Very high93 Ų9358.8 Ų58.850%0.49731%0.314SS..Hα-helixtrans-58.2-42.2175-63.6-26.8000111.2I707 E714 E715I707-D711 PolarHBondContact O-N 3.28Å; D711-E714 PolarHBondContact O-N 2.83Å; D711-E715 WeakPolarHBondContact O-CB 3.23Å; D711-E715 PolarHBondContact O-N 2.86Å
712A97.6Very high95.9Very high29 Ų2959.8 Ų59.824%0.2431%0.311CS..Hα-helixtrans-67.5-35.4177.300000113.2L662 A708 L709 A710 N716L662-A712 HydrophobicContact CD1-CB 4.37Å; L662-A712 HydrophobicContact CD2-CB 4.22Å; A708-A712 WeakPolarHBondContact O-CB 3.45Å; A708-A712 PolarHBondContact O-N 3.16Å; A708-A712 VanDerWaalsContact O-N 3.1Å; L709-A712 PolarHBondContact O-N 3.49Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 3.06Å; A712-N716 WeakPolarHBondContact O-CB 3.18Å; A712-N716 PolarHBondContact O-N 3.13Å
713V96.9Very high95.8Very high13 Ų1359.9 Ų59.98%0.07931%0.311CS..Hα-helixtrans-65.8-45.8173.5168.70000110L662 E663 L666 L709 A710 E715 N716 Q717L662-V713 HydrophobicContact CB-CG2 3.65Å; E663-V713 HydrophobicContact CG-CG1 4.43Å; E663-V713 HydrophobicContact CG-CG2 4.42Å; L666-V713 HydrophobicContact CD2-CG2 4.36Å; L709-V713 VanDerWaalsContact O-CG2 3.27Å; L709-V713 WeakPolarHBondContact O-CG2 3.22Å; L709-V713 PolarHBondContact O-N 2.95Å; A710-V713 PolarHBondContact O-N 2.85Å; A710-V713 VanDerWaalsContact O-N 3.14Å; V713-E715 PolarHBondContact O-N 3.02Å; V713-N716 PolarHBondContact O-N 3.44Å; V713-Q717 HydrophobicContact CG1-CG 4.39Å; V713-Q717 WeakPolarHBondContact O-CB 3.14Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.78Å
714E96.3Very high95.7Very high127 Ų12754.2 Ų54.259%0.59329%0.289SS*.Hα-helixtrans-62-42.7177.1-71.9-174.5-160.400111.9A710 D711 N716 Q717 G718A710-E714 PolarHBondContact O-N 3.3Å; D711-E714 PolarHBondContact O-N 2.83Å; E714-N716 PolarHBondContact O-N 2.94Å; E714-Q717 PolarHBondContact O-N 3.37Å; E714-G718 PolarHBondContact O-N 3.21Å
715E95.8Very high95.4Very high132 Ų13248.5 Ų48.562%0.61727%0.265SS*.Hα-helixtrans-60.6-45.5174.1-172.7-177.6172.700111.1D711 V713 Q717 G718 N719D711-E715 WeakPolarHBondContact O-CB 3.23Å; D711-E715 PolarHBondContact O-N 2.86Å; V713-E715 PolarHBondContact O-N 3.02Å; E715-Q717 PolarHBondContact O-N 2.59Å; E715-G718 PolarHBondContact O-N 2.85Å; E715-N719 WeakPolarHBondContact O-CB 3.37Å; E715-N719 VanDerWaalsContact O-CG 3.26Å; E715-N719 PolarHBondContact O-N 3.21Å; E715-N719 PolarHBondContact O-ND2 3.45Å
716N96.4Very high95.3Very high14 Ų1448.7 Ų48.78%0.07526%0.262CS..Hα-helixtrans-64.3-39.6177.1-17382.4000112.2L655 G659 L662 A712 V713 E714 N719 L720L655-N716 PolarHBondContact O-ND2 3.41Å; L655-N716 PolarHBondContact O-OD1 3.48Å; G659-N716 WeakPolarHBondContact CA-ND2 3.39Å; G659-N716 PolarHBondContact N-ND2 3.19Å; L662-N716 HydrophobicContact CD1-CB 3.94Å; A712-N716 WeakPolarHBondContact O-CB 3.18Å; A712-N716 PolarHBondContact O-N 3.13Å; V713-N716 PolarHBondContact O-N 3.44Å; E714-N716 PolarHBondContact O-N 2.94Å; N716-N719 PolarHBondContact O-N 2.65Å; N716-L720 VanDerWaalsContact O-CB 3.22Å; N716-L720 WeakPolarHBondContact O-CB 3.41Å; N716-L720 PolarHBondContact O-N 3.11Å
717Q94.6Very high95.2Very high94 Ų9447.3 Ų47.344%0.43925%0.254SS..Hα-helixtrans-63-43.2174.5-75.2175.2-800111.5V713 E714 E715 N719 L720 F721V713-Q717 HydrophobicContact CG1-CG 4.39Å; V713-Q717 WeakPolarHBondContact O-CB 3.14Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.78Å; E714-Q717 PolarHBondContact O-N 3.37Å; E715-Q717 PolarHBondContact O-N 2.59Å; Q717-N719 PolarHBondContact O-N 2.89Å; Q717-L720 PolarHBondContact O-N 2.95Å; Q717-F721 WeakPolarHBondContact O-CB 3.22Å; Q717-F721 PolarHBondContact O-N 3.24Å
718G92.4Very high95Very high26 Ų2645 Ų4527%0.26824%0.241SC..Hα-helixtrans-59.2-44.7173.700000112.5E714 E715 Q722E714-G718 PolarHBondContact O-N 3.21Å; E715-G718 PolarHBondContact O-N 2.85Å; G718-Q722 WeakPolarHBondContact O-CG 3.4Å; G718-Q722 PolarHBondContact O-N 3.17Å; G718-Q722 VanDerWaalsContact O-N 3.11Å
719N93.9Very high94.8Very high66 Ų6642.3 Ų42.335%0.35322%0.219SC..Hα-helixtrans-67.1-43.3176.7-69.9-28.7000112.3L655 E715 N716 Q717 F721 Q722 S723L655-N719 HydrophobicContact CD1-CB 4.3Å; L655-N719 HydrophobicContact CD2-CB 4.04Å; E715-N719 WeakPolarHBondContact O-CB 3.37Å; E715-N719 VanDerWaalsContact O-CG 3.26Å; E715-N719 PolarHBondContact O-N 3.21Å; E715-N719 PolarHBondContact O-ND2 3.45Å; N716-N719 PolarHBondContact O-N 2.65Å; Q717-N719 PolarHBondContact O-N 2.89Å; N719-F721 VanDerWaalsContact C-N 3.34Å; N719-F721 PolarHBondContact O-N 2.92Å; N719-Q722 PolarHBondContact O-N 3.17Å; N719-S723 WeakPolarHBondContact O-CB 3.35Å; N719-S723 PolarHBondContact O-N 2.8Å
720L94.7Very high94.7Very high25 Ų2540.9 Ų40.913%0.13121%0.211CC..Hα-helixtrans-59.1-47.4177.2176.861.9000110.5L655 R656 N716 Q717 Q722 S723 F724L655-L720 HydrophobicContact CB-CB 4.26Å; L655-L720 HydrophobicContact CB-CD1 3.89Å; R656-L720 HydrophobicContact CG-CD1 3.49Å; R656-L720 VanDerWaalsContact CG-CD1 3.49Å; R656-L720 HydrophobicContact CG-CD2 4.01Å; R656-L720 HydrophobicContact CG-CG 4.41Å; N716-L720 VanDerWaalsContact O-CB 3.22Å; N716-L720 WeakPolarHBondContact O-CB 3.41Å; N716-L720 PolarHBondContact O-N 3.11Å; Q717-L720 PolarHBondContact O-N 2.95Å; L720-Q722 PolarHBondContact O-N 3.24Å; L720-S723 CarbonylContact O-C 3.02Å; L720-S723 WeakPolarHBondContact O-CB 3.43Å; L720-S723 PolarHBondContact O-N 2.86Å; L720-S723 VanDerWaalsContact O-N 3.16Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 PolarHBondContact O-N 2.81Å
721F92.4Very high94.6Very high42 Ų4239.5 Ų39.518%0.18420%0.2CC..Hα-helixtrans-62.6-41.6178.1-172.8-115.1000112.6P463 Y495 Q717 N719 F724 T725 E761P463-F721 HydrophobicContact CB-CE1 3.6Å; P463-F721 HydrophobicContact CB-CZ 3.54Å; P463-F721 HydrophobicContact CG-CE1 4.09Å; P463-F721 HydrophobicContact CG-CE2 4.47Å; P463-F721 HydrophobicContact CG-CZ 3.5Å; P463-F721 VanDerWaalsContact CG-CZ 3.5Å; Y495-F721 WeakPolarHBondContact OH-CD1 3.47Å; Y495-F721 WeakPolarHBondContact OH-CE1 3.33Å; Q717-F721 WeakPolarHBondContact O-CB 3.22Å; Q717-F721 PolarHBondContact O-N 3.24Å; N719-F721 VanDerWaalsContact C-N 3.34Å; N719-F721 PolarHBondContact O-N 2.92Å; F721-F724 PolarHBondContact O-N 2.98Å; F721-T725 WeakPolarHBondContact O-CG2 3.18Å; F721-T725 PolarHBondContact O-N 2.88Å; F721-E761 HydrophobicContact CD2-CB 4.23Å; F721-E761 HydrophobicContact CE2-CB 3.96Å
722Q92Very high94.5Very high50 Ų5035.5 Ų35.523%0.23418%0.178CC..Hα-helixtrans-60.4-46.3172.2-73-174.936.200111.5Y495 G718 N719 L720 F724 T725 R726Y495-Q722 HydrophobicContact CD1-CG 3.67Å; Y495-Q722 HydrophobicContact CE1-CG 3.56Å; Y495-Q722 HydrophobicContact CG-CG 4.23Å; G718-Q722 WeakPolarHBondContact O-CG 3.4Å; G718-Q722 PolarHBondContact O-N 3.17Å; G718-Q722 VanDerWaalsContact O-N 3.11Å; N719-Q722 PolarHBondContact O-N 3.17Å; L720-Q722 PolarHBondContact O-N 3.24Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.9Å; Q722-T725 PolarHBondContact O-N 2.89Å; Q722-T725 PolarHBondContact O-OG1 2.87Å; Q722-R726 WeakPolarHBondContact O-CG 3.27Å; Q722-R726 PolarHBondContact O-N 2.82Å; Q722-R726 VanDerWaalsContact O-N 3.13Å
723S94.1Very high94.4Very high4 Ų434.1 Ų34.13%0.02817%0.167CC..Hα-helixtrans-59.6-42.2176.1-170.10000111.7H651 H652 N719 L720 R726 L727H651-S723 PolarHBondContact CD2-OG 3.13Å; H652-S723 WeakPolarHBondContact CA-OG 3.42Å; N719-S723 WeakPolarHBondContact O-CB 3.35Å; N719-S723 PolarHBondContact O-N 2.8Å; L720-S723 CarbonylContact O-C 3.02Å; L720-S723 WeakPolarHBondContact O-CB 3.43Å; L720-S723 PolarHBondContact O-N 2.86Å; L720-S723 VanDerWaalsContact O-N 3.16Å; S723-R726 PolarHBondContact O-N 2.81Å; S723-L727 VanDerWaalsContact O-CB 3.3Å; S723-L727 WeakPolarHBondContact O-CB 3.06Å; S723-L727 PolarHBondContact O-N 2.77Å
724F94.1Very high94.3Very high4 Ų433.6 Ų33.62%0.01816%0.164CC..Hα-helixtrans-60.9-45.8176.7-179-94.5000111.6H652 L720 F721 Q722 R726 L727 K728 L759 Q760 D762 W768H652-F724 AromaticContact NE2-CD2 3.64Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 PolarHBondContact O-N 2.81Å; F721-F724 PolarHBondContact O-N 2.98Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.9Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.11Å; F724-L727 PolarHBondContact O-N 3.25Å; F724-K728 HydrophobicContact CE1-CD 4.27Å; F724-K728 VanDerWaalsContact O-CB 3.31Å; F724-K728 WeakPolarHBondContact O-CB 3.34Å; F724-K728 PolarHBondContact O-N 3.43Å; F724-L759 HydrophobicContact CZ-CB 4.46Å; F724-Q760 VanDerWaalsContact CE1-C 3.46Å; F724-Q760 WeakPolarHBondContact CE1-O 3.29Å; F724-D762 WeakPolarHBondContact CD2-OD2 3.49Å; F724-W768 HydrophobicContact CD2-CB 4.3Å; F724-W768 HydrophobicContact CE2-CB 3.89Å; F724-W768 AromaticContact CE2-CD1 3.81Å; F724-W768 HydrophobicContact CE2-CG 4.05Å
725T91.8Very high94.3Very high5 Ų527.7 Ų27.73%0.03114%0.136CC..Hα-helixtrans-63.3-37.1177.660.20000113.2Y495 F721 Q722 K728 S729Y495-T725 WeakPolarHBondContact CD2-OG1 3.42Å; Y495-T725 HydrophobicContact CE2-CG2 3.94Å; Y495-T725 WeakPolarHBondContact CE2-OG1 3.36Å; F721-T725 WeakPolarHBondContact O-CG2 3.18Å; F721-T725 PolarHBondContact O-N 2.88Å; Q722-T725 PolarHBondContact O-N 2.89Å; Q722-T725 PolarHBondContact O-OG1 2.87Å; T725-K728 WeakPolarHBondContact O-CB 3.13Å; T725-K728 PolarHBondContact O-N 3.47Å; T725-S729 PolarHBondContact O-N 3.11Å; T725-S729 VanDerWaalsContact O-N 3.11Å; T725-S729 PolarHBondContact O-OG 3.4Å
726R93.3Very high94.2Very high85 Ų8522.8 Ų22.832%0.32111%0.114SC..Hα-helixtrans-68.2-44.6174.2-66.5175.3-173.6-175.110111.6E607 Q722 S723 F724 K728 S729 A730E607-R726 HydrophobicContact CB-CB 4.21Å; E607-R726 WeakPolarHBondContact CB-O 3.37Å; E607-R726 HydrophobicContact CG-CB 3.94Å; E607-R726 HydrophobicContact CG-CG 4.06Å; E607-R726 WeakPolarHBondContact OE1-CD 3.1Å; Q722-R726 WeakPolarHBondContact O-CG 3.27Å; Q722-R726 PolarHBondContact O-N 2.82Å; Q722-R726 VanDerWaalsContact O-N 3.13Å; S723-R726 PolarHBondContact O-N 2.81Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.11Å; R726-K728 VanDerWaalsContact C-N 3.25Å; R726-K728 PolarHBondContact O-N 2.94Å; R726-S729 WeakPolarHBondContact O-CB 3.37Å; R726-S729 PolarHBondContact O-N 3.34Å; R726-A730 PolarHBondContact O-N 2.83Å
727L94.7Very high94.1Very high1 Ų122.1 Ų22.11%0.00511%0.111CC..Hα-helixtrans-60.3-38.3175.2178.560.4000111.2Y645 L648 I649 H652 S723 F724 A730 T731 W768Y645-L727 HydrophobicContact CD2-CD1 4.29Å; Y645-L727 HydrophobicContact CE2-CD1 3.71Å; L648-L727 HydrophobicContact CB-CD1 4Å; I649-L727 HydrophobicContact CG1-CD1 3.65Å; H652-L727 HydrophobicContact CB-CD2 3.92Å; S723-L727 VanDerWaalsContact O-CB 3.3Å; S723-L727 WeakPolarHBondContact O-CB 3.06Å; S723-L727 PolarHBondContact O-N 2.77Å; F724-L727 PolarHBondContact O-N 3.25Å; L727-A730 PolarHBondContact O-N 3.35Å; L727-T731 VanDerWaalsContact O-CB 3.26Å; L727-T731 WeakPolarHBondContact O-CB 3.22Å; L727-T731 PolarHBondContact O-N 3.18Å; L727-T731 PolarHBondContact O-OG1 3.08Å; L727-W768 HydrophobicContact CD1-CH2 4.23Å; L727-W768 HydrophobicContact CD1-CZ3 4.41Å; L727-W768 HydrophobicContact CD2-CD2 3.76Å; L727-W768 HydrophobicContact CD2-CE3 3.56Å; L727-W768 HydrophobicContact CD2-CG 4.39Å; L727-W768 HydrophobicContact CD2-CH2 4.25Å; L727-W768 HydrophobicContact CD2-CZ2 4.43Å; L727-W768 HydrophobicContact CD2-CZ3 3.82Å; L727-W768 HydrophobicContact CG-CH2 4.43Å; L727-W768 HydrophobicContact CG-CZ2 4.43Å; L727-W768 HydrophobicContact CG-CZ3 4.47Å
728K94Very high94.1Very high19 Ų1917.7 Ų17.78%0.0839%0.09CC..Hα-helixtrans-60.9-50.3174.3-165.5173.6174.7177.30111.2S498 F724 T725 R726 A730 T731 H732 L757S498-K728 WeakPolarHBondContact OG-CD 3.31Å; F724-K728 HydrophobicContact CE1-CD 4.27Å; F724-K728 VanDerWaalsContact O-CB 3.31Å; F724-K728 WeakPolarHBondContact O-CB 3.34Å; F724-K728 PolarHBondContact O-N 3.43Å; T725-K728 WeakPolarHBondContact O-CB 3.13Å; T725-K728 PolarHBondContact O-N 3.47Å; R726-K728 VanDerWaalsContact C-N 3.25Å; R726-K728 PolarHBondContact O-N 2.94Å; K728-A730 VanDerWaalsContact C-N 3.35Å; K728-A730 PolarHBondContact O-N 2.85Å; K728-T731 WeakPolarHBondContact O-CB 3.18Å; K728-T731 PolarHBondContact O-N 2.82Å; K728-H732 PolarHBondContact O-CD2 2.95Å; K728-H732 PolarHBondContact O-N 3Å; K728-L757 HydrophobicContact CG-CD2 3.6Å
729S93.5Very high94.1Very high1 Ų117.1 Ų17.11%0.0078%0.083CC..Hα-helixtrans-55.4-47.2173.6-58.90000112.6S498 W610 T725 R726 T731 H732 L733S498-S729 WeakPolarHBondContact CA-OG 3.31Å; W610-S729 WeakPolarHBondContact CB-O 3.07Å; T725-S729 PolarHBondContact O-N 3.11Å; T725-S729 VanDerWaalsContact O-N 3.11Å; T725-S729 PolarHBondContact O-OG 3.4Å; R726-S729 WeakPolarHBondContact O-CB 3.37Å; R726-S729 PolarHBondContact O-N 3.34Å; S729-T731 VanDerWaalsContact C-N 3.32Å; S729-T731 PolarHBondContact O-N 2.87Å; S729-H732 PolarHBondContact O-N 3.04Å; S729-L733 PolarHBondContact O-N 3Å
730A95.3Very high94.1Very high0 Ų015.2 Ų15.20%07%0.072CC..Hα-helixtrans-62.9-39.917800000111.9F606 E607 Y645 L648 R726 L727 K728 L733 V734F606-A730 HydrophobicContact CD1-CB 3.81Å; F606-A730 HydrophobicContact CE1-CB 3.83Å; E607-A730 HydrophobicContact CB-CB 4.45Å; Y645-A730 HydrophobicContact CD2-CB 3.97Å; Y645-A730 HydrophobicContact CE2-CB 4.27Å; L648-A730 HydrophobicContact CD1-CB 3.35Å; R726-A730 PolarHBondContact O-N 2.83Å; L727-A730 PolarHBondContact O-N 3.35Å; K728-A730 VanDerWaalsContact C-N 3.35Å; K728-A730 PolarHBondContact O-N 2.85Å; A730-L733 WeakPolarHBondContact O-CB 3.49Å; A730-L733 PolarHBondContact O-N 2.8Å; A730-V734 WeakPolarHBondContact O-CG2 3.39Å; A730-V734 PolarHBondContact O-N 3.36Å
731T95.6Very high94Very high0 Ų017.9 Ų17.90%08%0.081CC..Hα-helixtrans-64.8-45.9176.9-60.80000111.3Y645 L727 K728 S729 L733 V734 I735 F756 L757 W768Y645-T731 VanDerWaalsContact CE2-OG1 3.25Å; Y645-T731 WeakPolarHBondContact CE2-OG1 3.47Å; Y645-T731 WeakPolarHBondContact OH-CG2 3.39Å; Y645-T731 PolarHBondContact OH-OG1 3.42Å; L727-T731 VanDerWaalsContact O-CB 3.26Å; L727-T731 WeakPolarHBondContact O-CB 3.22Å; L727-T731 PolarHBondContact O-N 3.18Å; L727-T731 PolarHBondContact O-OG1 3.08Å; K728-T731 WeakPolarHBondContact O-CB 3.18Å; K728-T731 PolarHBondContact O-N 2.82Å; S729-T731 VanDerWaalsContact C-N 3.32Å; S729-T731 PolarHBondContact O-N 2.87Å; T731-L733 VanDerWaalsContact C-N 3.3Å; T731-L733 PolarHBondContact O-N 2.86Å; T731-V734 PolarHBondContact O-N 2.91Å; T731-I735 HydrophobicContact CG2-CD1 3.98Å; T731-I735 HydrophobicContact CG2-CG1 4.48Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.45Å; T731-I735 PolarHBondContact O-N 3.11Å; T731-F756 HydrophobicContact CG2-CB 3.62Å; T731-F756 HydrophobicContact CG2-CD1 4.01Å; T731-F756 HydrophobicContact CG2-CG 4.23Å; T731-L757 HydrophobicContact CG2-CD2 3.75Å; T731-L757 HydrophobicContact CG2-CG 4.03Å; T731-W768 HydrophobicContact CG2-CZ2 4.28Å
732H94.7Very high93.9Very high9 Ų917.3 Ų17.34%0.0428%0.078CC..Hα-helixtrans-56.9-44.2173.4-79.4-75.9000112.1E499 W610 K728 S729 I735 L736 L757E499-H732 IonicContact OE1-CE1 2.72Å; E499-H732 PolarHBondContact OE1-CE1 3.44Å; E499-H732 IonicContact OE1-ND1 3.74Å; E499-H732 PolarHBondContact OE1-ND1 3.49Å; E499-H732 IonicContact OE1-NE2 3.51Å; E499-H732 PolarHBondContact OE1-NE2 2.95Å; W610-H732 HydrophobicContact CD2-CB 3.61Å; W610-H732 AromaticContact CE2-CG 3.92Å; W610-H732 HydrophobicContact CE3-CB 4Å; W610-H732 HydrophobicContact CG-CB 4.19Å; W610-H732 HydrophobicContact CH2-CB 3.84Å; W610-H732 HydrophobicContact CZ2-CB 3.47Å; W610-H732 VanDerWaalsContact CZ2-CB 3.47Å; W610-H732 AromaticContact CZ2-CG 3.9Å; W610-H732 HydrophobicContact CZ3-CB 4.08Å; W610-H732 WeakPolarHBondContact CZ3-O 3.32Å; W610-H732 AromaticContact NE1-CG 3.97Å; K728-H732 PolarHBondContact O-CD2 2.95Å; K728-H732 PolarHBondContact O-N 3Å; S729-H732 PolarHBondContact O-N 3.04Å; H732-I735 PolarHBondContact O-N 3.31Å; H732-L736 WeakPolarHBondContact O-CB 3.47Å; H732-L736 PolarHBondContact O-N 3.37Å; H732-L757 WeakPolarHBondContact CE1-CD1 3.43Å; H732-L757 WeakPolarHBondContact ND1-CD1 3.42Å
733L95.5Very high93.8Very high0 Ų023 Ų230%010%0.103CC..Hα-helixtrans-61.2-46176179.158.9000111.7I548 F606 L609 W610 T613 S729 A730 T731 I735 L736 L737I548-L733 HydrophobicContact CD1-CD1 3.87Å; I548-L733 HydrophobicContact CD1-CD2 3.6Å; I548-L733 HydrophobicContact CD1-CG 3.99Å; F606-L733 HydrophobicContact CE1-CD2 4.2Å; F606-L733 HydrophobicContact CE2-CD2 3.9Å; F606-L733 HydrophobicContact CZ-CD2 3.72Å; F606-L733 HydrophobicContact CZ-CG 4.27Å; L609-L733 HydrophobicContact CB-CD2 3.74Å; W610-L733 HydrophobicContact CB-CB 4.04Å; W610-L733 HydrophobicContact CD2-CB 4.43Å; W610-L733 VanDerWaalsContact CE3-CA 3.47Å; W610-L733 HydrophobicContact CE3-CB 3.9Å; W610-L733 HydrophobicContact CE3-CD1 4.27Å; T613-L733 HydrophobicContact CG2-CD1 4.31Å; S729-L733 PolarHBondContact O-N 3Å; A730-L733 WeakPolarHBondContact O-CB 3.49Å; A730-L733 PolarHBondContact O-N 2.8Å; T731-L733 VanDerWaalsContact C-N 3.3Å; T731-L733 PolarHBondContact O-N 2.86Å; L733-I735 PolarHBondContact O-N 2.85Å; L733-L736 PolarHBondContact O-N 2.86Å; L733-L737 HydrophobicContact CD1-CD1 4.36Å; L733-L737 HydrophobicContact CD1-CG 4.19Å; L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 VanDerWaalsContact O-CG 3.22Å; L733-L737 WeakPolarHBondContact O-CG 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å
734V95.2Very high93.6Very high1 Ų123.9 Ų23.91%0.00611%0.107CC..Hα-helixtrans-61.5-43.4177.3169.60000111.5F606 I640 Y645 A730 T731 L736 L737 I738F606-V734 HydrophobicContact CE1-CG2 4.28Å; F606-V734 HydrophobicContact CZ-CG2 4.23Å; I640-V734 HydrophobicContact CG2-CG1 4.16Å; Y645-V734 HydrophobicContact CD1-CG1 4.5Å; Y645-V734 HydrophobicContact CD1-CG2 4.05Å; Y645-V734 HydrophobicContact CD2-CG2 4.08Å; Y645-V734 HydrophobicContact CE1-CG1 4.43Å; Y645-V734 HydrophobicContact CE1-CG2 4.45Å; Y645-V734 HydrophobicContact CE2-CG2 4.5Å; Y645-V734 HydrophobicContact CG-CG2 3.83Å; A730-V734 WeakPolarHBondContact O-CG2 3.39Å; A730-V734 PolarHBondContact O-N 3.36Å; T731-V734 PolarHBondContact O-N 2.91Å; V734-L736 PolarHBondContact O-N 3.44Å; V734-L737 PolarHBondContact O-N 2.8Å; V734-I738 HydrophobicContact CG1-CD1 3.69Å; V734-I738 HydrophobicContact CG1-CG1 4.36Å; V734-I738 WeakPolarHBondContact O-CB 3.16Å; V734-I738 VanDerWaalsContact O-CG1 3.23Å; V734-I738 WeakPolarHBondContact O-CG1 3.3Å; V734-I738 PolarHBondContact O-N 3.44Å
735I95.2Very high93.5Very high3 Ų326.2 Ų26.22%0.01512%0.124CC..Hα-helixtrans-59.5-47.8175.5-66.4162.8000110.6T731 H732 L733 L737 I738 A739 V749 L752 E753 F756 L757T731-I735 HydrophobicContact CG2-CD1 3.98Å; T731-I735 HydrophobicContact CG2-CG1 4.48Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.45Å; T731-I735 PolarHBondContact O-N 3.11Å; H732-I735 PolarHBondContact O-N 3.31Å; L733-I735 PolarHBondContact O-N 2.85Å; I735-L737 PolarHBondContact O-N 2.98Å; I735-I738 PolarHBondContact O-N 2.85Å; I735-A739 WeakPolarHBondContact O-CB 3.39Å; I735-A739 PolarHBondContact O-N 3.3Å; I735-V749 HydrophobicContact CG2-CG1 4.25Å; I735-L752 HydrophobicContact CG2-CB 4.05Å; I735-E753 HydrophobicContact CD1-CG 4.35Å; I735-E753 HydrophobicContact CG2-CG 4.19Å; I735-F756 HydrophobicContact CD1-CB 3.8Å; I735-F756 HydrophobicContact CD1-CG 4.48Å; I735-F756 HydrophobicContact CG1-CB 4.29Å; I735-F756 HydrophobicContact CG1-CG 4.46Å; I735-L757 HydrophobicContact CD1-CD1 3.63Å; I735-L757 HydrophobicContact CD1-CG 4.07Å
736L94.5Very high93.5Very high30 Ų3029.9 Ų29.916%0.15715%0.154CC..Hα-helixtrans-59.3-46.3176.8174.970.3000111.3W610 T613 I617 H732 L733 V734 I738 A739 L740W610-L736 HydrophobicContact CE3-CD2 4.26Å; W610-L736 HydrophobicContact CH2-CB 4.45Å; W610-L736 HydrophobicContact CH2-CD2 4.49Å; W610-L736 HydrophobicContact CZ3-CB 3.72Å; W610-L736 HydrophobicContact CZ3-CD2 3.56Å; W610-L736 HydrophobicContact CZ3-CG 4.2Å; T613-L736 HydrophobicContact CG2-CD2 3.89Å; I617-L736 HydrophobicContact CD1-CD1 4Å; I617-L736 HydrophobicContact CD1-CD2 3.66Å; I617-L736 HydrophobicContact CD1-CG 4.24Å; H732-L736 WeakPolarHBondContact O-CB 3.47Å; H732-L736 PolarHBondContact O-N 3.37Å; L733-L736 PolarHBondContact O-N 2.86Å; V734-L736 PolarHBondContact O-N 3.44Å; L736-I738 PolarHBondContact O-N 3.13Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.38Å; L736-L740 HydrophobicContact CD1-CD1 4.14Å; L736-L740 HydrophobicContact CD1-CG 4.18Å; L736-L740 HydrophobicContact CG-CD1 4.06Å; L736-L740 HydrophobicContact CG-CG 4.41Å; L736-L740 WeakPolarHBondContact O-CB 3.3Å; L736-L740 VanDerWaalsContact O-CG 3.27Å; L736-L740 WeakPolarHBondContact O-CG 3.46Å; L736-L740 PolarHBondContact O-N 2.88Å
737L95.1Very high93.4Very high0 Ų031.8 Ų31.80%017%0.171CC..Hα-helixtrans-62.8-42.1178.5-67.2177.8000111.8I548 I550 F636 P641 L733 V734 I735 A739 L740 W741I548-L737 HydrophobicContact CD1-CD1 3.97Å; I548-L737 HydrophobicContact CG2-CD2 3.85Å; I550-L737 HydrophobicContact CD1-CD2 3.97Å; F636-L737 HydrophobicContact CB-CD2 4.42Å; F636-L737 HydrophobicContact CD1-CB 4.21Å; F636-L737 HydrophobicContact CD1-CD2 4.14Å; F636-L737 HydrophobicContact CD2-CD2 3.81Å; F636-L737 HydrophobicContact CE1-CB 4.42Å; F636-L737 HydrophobicContact CE1-CD1 4.5Å; F636-L737 HydrophobicContact CE1-CD2 4.33Å; F636-L737 HydrophobicContact CE2-CD2 4.03Å; F636-L737 HydrophobicContact CG-CD2 3.86Å; F636-L737 HydrophobicContact CZ-CD1 4.46Å; F636-L737 HydrophobicContact CZ-CD2 4.29Å; P641-L737 HydrophobicContact CG-CD1 3.86Å; L733-L737 HydrophobicContact CD1-CD1 4.36Å; L733-L737 HydrophobicContact CD1-CG 4.19Å; L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 VanDerWaalsContact O-CG 3.22Å; L733-L737 WeakPolarHBondContact O-CG 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å; V734-L737 PolarHBondContact O-N 2.8Å; I735-L737 PolarHBondContact O-N 2.98Å; L737-A739 VanDerWaalsContact C-N 3.33Å; L737-A739 PolarHBondContact O-N 2.92Å; L737-L740 PolarHBondContact O-N 2.85Å; L737-W741 WeakPolarHBondContact O-CB 3.49Å; L737-W741 PolarHBondContact O-N 2.81Å
738I93.5Very high93.2Very high1 Ų133 Ų331%0.00518%0.177CC..Hα-helixtrans-60.6-44.3174.2-69.6164.7000110.3I640 V734 I735 L736 W741 Q742 L744 L752 L819I640-I738 HydrophobicContact CD1-CD1 4.4Å; I640-I738 HydrophobicContact CD1-CG1 3.49Å; I640-I738 VanDerWaalsContact CD1-CG1 3.49Å; I640-I738 HydrophobicContact CG1-CG1 4.3Å; V734-I738 HydrophobicContact CG1-CD1 3.69Å; V734-I738 HydrophobicContact CG1-CG1 4.36Å; V734-I738 WeakPolarHBondContact O-CB 3.16Å; V734-I738 VanDerWaalsContact O-CG1 3.23Å; V734-I738 WeakPolarHBondContact O-CG1 3.3Å; V734-I738 PolarHBondContact O-N 3.44Å; I735-I738 PolarHBondContact O-N 2.85Å; L736-I738 PolarHBondContact O-N 3.13Å; I738-W741 PolarHBondContact O-N 3.44Å; I738-Q742 PolarHBondContact O-N 2.95Å; I738-L744 HydrophobicContact CG2-CD1 3.89Å; I738-L752 HydrophobicContact CG2-CD1 3.97Å; I738-L819 HydrophobicContact CG2-CD1 3.88Å
739A93.6Very high93.2Very high14 Ų1433.5 Ų33.512%0.11618%0.181CC..Hα-helixtrans-61.5-45.3178.400000112.1I735 L736 L737 K743 L744 V749I735-A739 WeakPolarHBondContact O-CB 3.39Å; I735-A739 PolarHBondContact O-N 3.3Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.38Å; L737-A739 VanDerWaalsContact C-N 3.33Å; L737-A739 PolarHBondContact O-N 2.92Å; A739-K743 WeakPolarHBondContact O-CA 3.46Å; A739-K743 PolarHBondContact O-N 2.83Å; A739-L744 HydrophobicContact CB-CB 4.35Å; A739-L744 HydrophobicContact CB-CD1 4.42Å; A739-L744 PolarHBondContact O-N 3.04Å; A739-L744 VanDerWaalsContact O-N 3.11Å; A739-V749 HydrophobicContact CB-CG2 3.64Å
740L92.8Very high93.1Very high26 Ų2635.8 Ų35.814%0.13620%0.2CC..Hα-helixtrans-71.9-29.8177.7-65.2178.9000113.2I550 I617 C634 F636 L736 L737I550-L740 HydrophobicContact CD1-CD1 3.99Å; I617-L740 HydrophobicContact CD1-CD1 3.82Å; C634-L740 HydrophobicContact CB-CD1 4.4Å; C634-L740 HydrophobicContact CB-CD2 3.72Å; F636-L740 HydrophobicContact CB-CB 3.92Å; F636-L740 PolarHBondContact N-O 3.44Å; L736-L740 HydrophobicContact CD1-CD1 4.14Å; L736-L740 HydrophobicContact CD1-CG 4.18Å; L736-L740 HydrophobicContact CG-CD1 4.06Å; L736-L740 HydrophobicContact CG-CG 4.41Å; L736-L740 WeakPolarHBondContact O-CB 3.3Å; L736-L740 VanDerWaalsContact O-CG 3.27Å; L736-L740 WeakPolarHBondContact O-CG 3.46Å; L736-L740 PolarHBondContact O-N 2.88Å; L737-L740 PolarHBondContact O-N 2.85Å
741W92.9Very high93Very high81 Ų8137 Ų3731%0.30721%0.206SC..Hα-helixtrans-74.3-46.4178.5179.450.5000111.9F636 I640 L737 I738F636-W741 HydrophobicContact CD1-CB 4.34Å; I640-W741 HydrophobicContact CD1-CD2 4.29Å; I640-W741 HydrophobicContact CD1-CE3 3.45Å; I640-W741 VanDerWaalsContact CD1-CE3 3.45Å; I640-W741 HydrophobicContact CD1-CH2 4.36Å; I640-W741 HydrophobicContact CD1-CZ3 3.5Å; I640-W741 HydrophobicContact CG1-CE3 4.17Å; I640-W741 HydrophobicContact CG1-CZ3 4.47Å; L737-W741 WeakPolarHBondContact O-CB 3.49Å; L737-W741 PolarHBondContact O-N 2.81Å; I738-W741 PolarHBondContact O-N 3.44Å
742Q90.9Very high92.9Very high29 Ų2937 Ų3714%0.13621%0.206CC..Hα-helixtrans-98.1-1.7-176-65.8-59.3-34.400114.5I738 L744 L819 R824I738-Q742 PolarHBondContact O-N 2.95Å; Q742-L744 HydrophobicContact CB-CD2 4.12Å; Q742-L744 HydrophobicContact CB-CG 4.2Å; Q742-L819 HydrophobicContact CG-CB 4.24Å; Q742-L819 PolarHBondContact OE1-O 3.36Å; Q742-R824 PolarHBondContact O-NH2 2.93Å
743K89.9Confident92.8Very high171 Ų17140.7 Ų40.774%0.74322%0.224SC*.THydrogen-bonded Turntrans5454.5-176.1-56.6-179.2-179.9-178.70111.4A739A739-K743 WeakPolarHBondContact O-CA 3.46Å; A739-K743 PolarHBondContact O-N 2.83Å
744L90.3Very high92.7Very high21 Ų2144.1 Ų44.111%0.1125%0.252CS..  trans-68.8148.7-179.8-63.2178.7000111.3I738 A739 Q742 Q748 V749 L752I738-L744 HydrophobicContact CG2-CD1 3.89Å; A739-L744 HydrophobicContact CB-CB 4.35Å; A739-L744 HydrophobicContact CB-CD1 4.42Å; A739-L744 PolarHBondContact O-N 3.04Å; A739-L744 VanDerWaalsContact O-N 3.11Å; Q742-L744 HydrophobicContact CB-CD2 4.12Å; Q742-L744 HydrophobicContact CB-CG 4.2Å; L744-Q748 HydrophobicContact CB-CB 4.09Å; L744-Q748 HydrophobicContact CD2-CB 4.31Å; L744-V749 HydrophobicContact CB-CG2 3.98Å; L744-L752 HydrophobicContact CD1-CD1 3.37Å
745S91.4Very high92.6Very high54 Ų5444.3 Ų44.338%0.37825%0.254SS..  trans-75.6162.5171.765.10000111.3D747 Q748 V749S745-D747 VanDerWaalsContact C-N 3.27Å; S745-D747 PolarHBondContact O-N 3.09Å; S745-Q748 PolarHBondContact O-N 3.19Å; S745-Q748 WeakPolarHBondContact OG-CG 3.42Å; S745-Q748 PolarHBondContact OG-N 3.45Å; S745-V749 WeakPolarHBondContact O-CG2 3.32Å; S745-V749 PolarHBondContact O-N 2.89Å
746A90.4Very high92.6Very high82 Ų8244.2 Ų44.268%0.67825%0.253SS*.Hα-helixtrans-54.3-42.217700000112.4Q748 V749 A750A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-Q748 PolarHBondContact O-N 2.9Å; A746-V749 PolarHBondContact O-N 2.91Å; A746-A750 WeakPolarHBondContact O-CB 3.39Å; A746-A750 PolarHBondContact O-N 3.01Å
747D91.3Very high92.4Very high124 Ų12444.3 Ų44.366%0.66325%0.254SS*.Hα-helixtrans-63.6-38.2177-56.6-31.7000112.2S745 A750 I751S745-D747 VanDerWaalsContact C-N 3.27Å; S745-D747 PolarHBondContact O-N 3.09Å; D747-A750 PolarHBondContact O-N 2.79Å; D747-I751 VanDerWaalsContact O-CG1 3.28Å; D747-I751 WeakPolarHBondContact O-CG1 3.5Å; D747-I751 PolarHBondContact O-N 3.02Å
748Q92.1Very high91.9Very high27 Ų2746.7 Ų46.713%0.12627%0.269CS..Hα-helixtrans-71.3-35.3177.6-71.4177.7-4.200112L744 S745 A746 I751 L752 L825L744-Q748 HydrophobicContact CB-CB 4.09Å; L744-Q748 HydrophobicContact CD2-CB 4.31Å; S745-Q748 PolarHBondContact O-N 3.19Å; S745-Q748 WeakPolarHBondContact OG-CG 3.42Å; S745-Q748 PolarHBondContact OG-N 3.45Å; A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-Q748 PolarHBondContact O-N 2.9Å; Q748-I751 PolarHBondContact O-N 3.16Å; Q748-L752 PolarHBondContact O-N 3.17Å; Q748-L752 VanDerWaalsContact O-N 3.08Å; Q748-L825 HydrophobicContact CG-CB 4.3Å
749V92.7Very high91.5Very high29 Ų2948.1 Ų48.118%0.17628%0.276CS..Hα-helixtrans-64.6-44171.6176.90000110I735 A739 L744 S745 A746 I751 L752 E753I735-V749 HydrophobicContact CG2-CG1 4.25Å; A739-V749 HydrophobicContact CB-CG2 3.64Å; L744-V749 HydrophobicContact CB-CG2 3.98Å; S745-V749 WeakPolarHBondContact O-CG2 3.32Å; S745-V749 PolarHBondContact O-N 2.89Å; A746-V749 PolarHBondContact O-N 2.91Å; V749-I751 VanDerWaalsContact C-N 3.31Å; V749-I751 PolarHBondContact O-N 2.88Å; V749-L752 CarbonylContact O-C 3.47Å; V749-L752 WeakPolarHBondContact O-CA 3.35Å; V749-L752 WeakPolarHBondContact O-CB 3.32Å; V749-L752 PolarHBondContact O-N 3.17Å; V749-E753 HydrophobicContact CG1-CG 4.27Å; V749-E753 WeakPolarHBondContact O-CG 3.43Å; V749-E753 PolarHBondContact O-N 3.29Å
750A92.4Very high90.9Very high50 Ų5054 Ų5441%0.41330%0.302SS..Hα-helixtrans-61.3-37.3176.200000112.6A746 D747 E753 A754A746-A750 WeakPolarHBondContact O-CB 3.39Å; A746-A750 PolarHBondContact O-N 3.01Å; D747-A750 PolarHBondContact O-N 2.79Å; A750-E753 PolarHBondContact O-N 3.45Å; A750-A754 VanDerWaalsContact O-CB 3.31Å; A750-A754 WeakPolarHBondContact O-CB 3.35Å; A750-A754 PolarHBondContact O-N 2.81Å
751I93.4Very high90.5Very high24 Ų2457.9 Ų57.912%0.12332%0.319CS..Hα-helixtrans-63.6-41.9172.6-67.1164.4000110.9D747 Q748 V749 A755 L779 L825 L827D747-I751 VanDerWaalsContact O-CG1 3.28Å; D747-I751 WeakPolarHBondContact O-CG1 3.5Å; D747-I751 PolarHBondContact O-N 3.02Å; Q748-I751 PolarHBondContact O-N 3.16Å; V749-I751 VanDerWaalsContact C-N 3.31Å; V749-I751 PolarHBondContact O-N 2.88Å; I751-A755 VanDerWaalsContact O-CB 3.31Å; I751-A755 WeakPolarHBondContact O-CB 3.43Å; I751-A755 PolarHBondContact O-N 2.77Å; I751-L779 HydrophobicContact CG2-CD1 4.06Å; I751-L779 HydrophobicContact CG2-CD2 3.83Å; I751-L825 HydrophobicContact CD1-CB 4.26Å; I751-L825 HydrophobicContact CG2-CB 4.3Å; I751-L825 HydrophobicContact CG2-CD1 4.33Å; I751-L827 HydrophobicContact CD1-CD1 4.42Å; I751-L827 HydrophobicContact CD1-CD2 4.41Å; I751-L827 HydrophobicContact CD1-CG 3.96Å; I751-L827 HydrophobicContact CG1-CD1 4.23Å; I751-L827 HydrophobicContact CG1-CD2 4.18Å; I751-L827 HydrophobicContact CG1-CG 4.08Å
752L93.3Very high90.2Very high0 Ų055.4 Ų55.40%031%0.312CS..Hα-helixtrans-66.6-45176.5-74179.1000111.9I735 I738 L744 Q748 V749 A754 A755 F756 L815 L825I735-L752 HydrophobicContact CG2-CB 4.05Å; I738-L752 HydrophobicContact CG2-CD1 3.97Å; L744-L752 HydrophobicContact CD1-CD1 3.37Å; Q748-L752 PolarHBondContact O-N 3.17Å; Q748-L752 VanDerWaalsContact O-N 3.08Å; V749-L752 CarbonylContact O-C 3.47Å; V749-L752 WeakPolarHBondContact O-CA 3.35Å; V749-L752 WeakPolarHBondContact O-CB 3.32Å; V749-L752 PolarHBondContact O-N 3.17Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 2.82Å; L752-A755 PolarHBondContact O-N 2.77Å; L752-F756 HydrophobicContact CD2-CD2 4.19Å; L752-F756 HydrophobicContact CD2-CE2 3.93Å; L752-F756 WeakPolarHBondContact O-CB 3.47Å; L752-F756 WeakPolarHBondContact O-CD2 3.27Å; L752-F756 PolarHBondContact O-N 2.94Å; L752-L815 HydrophobicContact CD2-CD2 4.22Å; L752-L825 HydrophobicContact CD1-CD1 4.26Å; L752-L825 HydrophobicContact CD2-CD1 3.56Å; L752-L825 HydrophobicContact CG-CD1 3.57Å
753E93.2Very high90.1Very high88 Ų8857.4 Ų57.441%0.41133%0.326SS..Hα-helixtrans-57.5-46.7175-72.6176.9175.700110.7I735 V749 A750 A755 L757I735-E753 HydrophobicContact CD1-CG 4.35Å; I735-E753 HydrophobicContact CG2-CG 4.19Å; V749-E753 HydrophobicContact CG1-CG 4.27Å; V749-E753 WeakPolarHBondContact O-CG 3.43Å; V749-E753 PolarHBondContact O-N 3.29Å; A750-E753 PolarHBondContact O-N 3.45Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.39Å; E753-L757 HydrophobicContact CB-CD1 4.46Å; E753-L757 HydrophobicContact CG-CD1 4.45Å; E753-L757 WeakPolarHBondContact O-CA 3.31Å; E753-L757 VanDerWaalsContact O-CB 3.26Å; E753-L757 WeakPolarHBondContact O-CB 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å
754A93.1Very high89.8Confident71 Ų7156.6 Ų56.659%0.58733%0.325SS*.Hα-helixtrans-63.7-34.9176.900000113.4A750 L752A750-A754 VanDerWaalsContact O-CB 3.31Å; A750-A754 WeakPolarHBondContact O-CB 3.35Å; A750-A754 PolarHBondContact O-N 2.81Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 2.82Å
755A93.4Very high89.5Confident6 Ų664 Ų645%0.0536%0.359CS..Hα-helixtrans-79.2-36.8-178.600000113.5I751 L752 E753 A775 L779I751-A755 VanDerWaalsContact O-CB 3.31Å; I751-A755 WeakPolarHBondContact O-CB 3.43Å; I751-A755 PolarHBondContact O-N 2.77Å; L752-A755 PolarHBondContact O-N 2.77Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.39Å; A755-A775 HydrophobicContact CB-CB 3.96Å; A755-L779 HydrophobicContact CB-CD1 3.73Å
756F93.8Very high89.5Confident1 Ų164 Ų640%0.00436%0.355CS..Hα-helixtrans-97.1-20.4-175.1-85.1-92.1000113.8T731 I735 L752 P758 W768 V772 I776 I812 L815T731-F756 HydrophobicContact CG2-CB 3.62Å; T731-F756 HydrophobicContact CG2-CD1 4.01Å; T731-F756 HydrophobicContact CG2-CG 4.23Å; I735-F756 HydrophobicContact CD1-CB 3.8Å; I735-F756 HydrophobicContact CD1-CG 4.48Å; I735-F756 HydrophobicContact CG1-CB 4.29Å; I735-F756 HydrophobicContact CG1-CG 4.46Å; L752-F756 HydrophobicContact CD2-CD2 4.19Å; L752-F756 HydrophobicContact CD2-CE2 3.93Å; L752-F756 WeakPolarHBondContact O-CB 3.47Å; L752-F756 WeakPolarHBondContact O-CD2 3.27Å; L752-F756 PolarHBondContact O-N 2.94Å; F756-P758 WeakPolarHBondContact O-CD 3.48Å; F756-W768 PolarHBondContact O-NE1 2.85Å; F756-V772 HydrophobicContact CD1-CG1 3.96Å; F756-V772 HydrophobicContact CE1-CG1 4.32Å; F756-V772 HydrophobicContact CG-CG1 4.38Å; F756-I776 HydrophobicContact CD1-CD1 4.36Å; F756-I776 HydrophobicContact CE1-CD1 3.68Å; F756-I776 HydrophobicContact CE2-CD1 3.88Å; F756-I776 HydrophobicContact CE2-CG1 4.12Å; F756-I776 HydrophobicContact CZ-CD1 3.4Å; F756-I776 VanDerWaalsContact CZ-CD1 3.4Å; F756-I776 HydrophobicContact CZ-CG1 4.14Å; F756-I812 HydrophobicContact CE1-CD1 4.23Å; F756-I812 HydrophobicContact CE1-CG1 3.98Å; F756-I812 HydrophobicContact CE1-CG2 4.49Å; F756-I812 HydrophobicContact CZ-CG1 4.26Å; F756-L815 HydrophobicContact CE2-CD2 3.59Å; F756-L815 HydrophobicContact CZ-CD2 3.79Å
757L91.2Very high89.6Confident32 Ų3260.1 Ų60.117%0.16832%0.322CS..  trans-123.857.6-179-57157.8000111.1K728 T731 H732 I735 E753 L759K728-L757 HydrophobicContact CG-CD2 3.6Å; T731-L757 HydrophobicContact CG2-CD2 3.75Å; T731-L757 HydrophobicContact CG2-CG 4.03Å; H732-L757 WeakPolarHBondContact CE1-CD1 3.43Å; H732-L757 WeakPolarHBondContact ND1-CD1 3.42Å; I735-L757 HydrophobicContact CD1-CD1 3.63Å; I735-L757 HydrophobicContact CD1-CG 4.07Å; E753-L757 HydrophobicContact CB-CD1 4.46Å; E753-L757 HydrophobicContact CG-CD1 4.45Å; E753-L757 WeakPolarHBondContact O-CA 3.31Å; E753-L757 VanDerWaalsContact O-CB 3.26Å; E753-L757 WeakPolarHBondContact O-CB 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å; L757-L759 PolarHBondContact O-N 2.95Å
758P83.8Confident89.8Confident49 Ų4954.4 Ų54.432%0.31829%0.291SS..  trans-73.8-26.7-17327.9-33.7000113.8F756 T771 V772F756-P758 WeakPolarHBondContact O-CD 3.48Å; P758-T771 VanDerWaalsContact CG-OG1 3.23Å; P758-T771 WeakPolarHBondContact CG-OG1 3.13Å; P758-V772 HydrophobicContact CG-CG2 4.01Å
759L85.4Confident89.9Confident31 Ų3153.2 Ų53.216%0.16229%0.286CS..  trans-125.4156.5-165.7-59.2170000112F724 L757 L766 G767 T771F724-L759 HydrophobicContact CZ-CB 4.46Å; L757-L759 PolarHBondContact O-N 2.95Å; L759-L766 HydrophobicContact CD1-CD2 4.45Å; L759-L766 HydrophobicContact CD1-CG 4.31Å; L759-L766 HydrophobicContact CD2-CD2 3.85Å; L759-G767 VanDerWaalsContact CD1-C 3.49Å; L759-T771 HydrophobicContact CD1-CG2 4Å; L759-T771 HydrophobicContact CG-CG2 4.49Å
760Q81.6Confident89.9Confident139 Ų13952 Ų5265%0.6528%0.279SS*.SBendtrans-89.5-27.8170.7-68.478.512.600112.9F724F724-Q760 VanDerWaalsContact CE1-C 3.46Å; F724-Q760 WeakPolarHBondContact CE1-O 3.29Å
761E84.3Confident90Very high107 Ų10750.5 Ų50.550%0.526%0.264SS..SBendtrans-157.8159.3177.165.2-173-176.300109.9F721F721-E761 HydrophobicContact CD2-CB 4.23Å; F721-E761 HydrophobicContact CE2-CB 3.96Å
762D86.3Confident90Very high28 Ų2849.3 Ų49.315%0.1526%0.258CS..  trans-74.3134.8169.1-62.5-91.8000110.7H652 R656 F724 G767 W768H652-D762 IonicContact CE1-OD1 3.26Å; H652-D762 PolarHBondContact CE1-OD1 2.94Å; H652-D762 IonicContact CE1-OD2 3.67Å; H652-D762 PolarHBondContact CE1-OD2 2.79Å; H652-D762 VanDerWaalsContact CE1-OD2 3.26Å; H652-D762 IonicContact NE2-OD1 3.93Å; H652-D762 IonicContact NE2-OD2 3.97Å; H652-D762 PolarHBondContact NE2-OD2 3.41Å; R656-D762 IonicContact CZ-OD1 3.62Å; R656-D762 IonicContact NH1-OD1 3.63Å; R656-D762 PolarHBondContact NH1-OD1 3.13Å; F724-D762 WeakPolarHBondContact CD2-OD2 3.49Å; D762-G767 WeakPolarHBondContact OD1-CA 3.07Å; D762-W768 PolarHBondContact OD1-N 2.99Å
763T88.8Confident90Very high72 Ų7250.5 Ų50.544%0.44226%0.264SS..  trans-105.8167168.967.30000109.5E765 L766T763-E765 VanDerWaalsContact C-N 3.26Å; T763-E765 PolarHBondContact O-N 3.49Å; T763-L766 WeakPolarHBondContact CA-O 3.4Å; T763-L766 PolarHBondContact N-O 3.07Å; T763-L766 PolarHBondContact OG1-N 2.81Å; T763-L766 PolarHBondContact OG1-O 3.07Å
764Q83.4Confident90Very high154 Ų15446.9 Ų46.972%0.7225%0.25SC*.SBendtrans-61.1-33.6178.5-72-177.6-23.900113.1E663E663-Q764 PolarHBondContact OE1-NE2 3.09Å; E663-Q764 PolarHBondContact OE2-NE2 2.82Å
765E85Confident90Very high176 Ų17645 Ų4582%0.82223%0.233SC*.SBendtrans-90.4-33.4-179.4-66.6-173.317200113.1T763T763-E765 VanDerWaalsContact C-N 3.26Å; T763-E765 PolarHBondContact O-N 3.49Å
766L91Very high89.9Confident54 Ų5444.7 Ų44.728%0.28323%0.231SC..  trans-137.4126.4-172-167.174.3000110.5L759 T763 E770 T771 L799L759-L766 HydrophobicContact CD1-CD2 4.45Å; L759-L766 HydrophobicContact CD1-CG 4.31Å; L759-L766 HydrophobicContact CD2-CD2 3.85Å; T763-L766 WeakPolarHBondContact CA-O 3.4Å; T763-L766 PolarHBondContact N-O 3.07Å; T763-L766 PolarHBondContact OG1-N 2.81Å; T763-L766 PolarHBondContact OG1-O 3.07Å; L766-E770 HydrophobicContact CD1-CG 4.38Å; L766-T771 HydrophobicContact CD1-CG2 3.42Å; L766-T771 VanDerWaalsContact CD1-CG2 3.42Å; L766-T771 HydrophobicContact CD2-CG2 3.79Å; L766-T771 HydrophobicContact CG-CG2 3.53Å; L766-L799 HydrophobicContact CD1-CB 4.46Å; L766-L799 HydrophobicContact CD1-CD2 4.25Å
767G91.9Very high89.8Confident0 Ų044.6 Ų44.60%023%0.231CC..  trans-144.1-167.117000000114L759 D762 E770 T771L759-G767 VanDerWaalsContact CD1-C 3.49Å; D762-G767 WeakPolarHBondContact OD1-CA 3.07Å; G767-E770 PolarHBondContact N-OE1 2.81Å; G767-T771 WeakPolarHBondContact O-CG2 3.31Å; G767-T771 PolarHBondContact O-N 2.62Å; G767-T771 PolarHBondContact O-OG1 2.83Å
768W95Very high89.7Confident4 Ų447.8 Ų47.82%0.01524%0.244CC..Hα-helixtrans-66.5-45.7-159.7-168.776000114.3Y645 I649 F724 L727 T731 F756 D762 T771 V772 L808Y645-W768 VanDerWaalsContact OH-CH2 3.23Å; Y645-W768 WeakPolarHBondContact OH-CH2 3.35Å; Y645-W768 VanDerWaalsContact OH-CZ2 3.27Å; Y645-W768 WeakPolarHBondContact OH-CZ2 3.31Å; I649-W768 HydrophobicContact CB-CZ3 4.44Å; I649-W768 HydrophobicContact CD1-CH2 3.75Å; I649-W768 HydrophobicContact CD1-CZ3 3.8Å; I649-W768 HydrophobicContact CG1-CH2 3.88Å; I649-W768 HydrophobicContact CG1-CZ3 3.67Å; I649-W768 HydrophobicContact CG2-CZ3 4.1Å; F724-W768 HydrophobicContact CD2-CB 4.3Å; F724-W768 HydrophobicContact CE2-CB 3.89Å; F724-W768 AromaticContact CE2-CD1 3.81Å; F724-W768 HydrophobicContact CE2-CG 4.05Å; L727-W768 HydrophobicContact CD1-CH2 4.23Å; L727-W768 HydrophobicContact CD1-CZ3 4.41Å; L727-W768 HydrophobicContact CD2-CD2 3.76Å; L727-W768 HydrophobicContact CD2-CE3 3.56Å; L727-W768 HydrophobicContact CD2-CG 4.39Å; L727-W768 HydrophobicContact CD2-CH2 4.25Å; L727-W768 HydrophobicContact CD2-CZ2 4.43Å; L727-W768 HydrophobicContact CD2-CZ3 3.82Å; L727-W768 HydrophobicContact CG-CH2 4.43Å; L727-W768 HydrophobicContact CG-CZ2 4.43Å; L727-W768 HydrophobicContact CG-CZ3 4.47Å; T731-W768 HydrophobicContact CG2-CZ2 4.28Å; F756-W768 PolarHBondContact O-NE1 2.85Å; D762-W768 PolarHBondContact OD1-N 2.99Å; W768-T771 PolarHBondContact O-N 2.97Å; W768-T771 PolarHBondContact O-OG1 3.02Å; W768-V772 HydrophobicContact CD2-CG2 3.99Å; W768-V772 HydrophobicContact CG-CG2 4.21Å; W768-V772 HydrophobicContact CZ2-CG1 4.39Å; W768-V772 HydrophobicContact CZ2-CG2 3.98Å; W768-V772 WeakPolarHBondContact O-CB 3.28Å; W768-V772 VanDerWaalsContact O-CG2 3.23Å; W768-V772 WeakPolarHBondContact O-CG2 3.49Å; W768-V772 PolarHBondContact O-N 3.22Å; W768-L808 HydrophobicContact CE3-CD2 4.37Å; W768-L808 HydrophobicContact CZ3-CD2 3.79Å
769E94.5Very high90Very high2 Ų245.8 Ų45.81%0.00923%0.231CC..Hα-helixtrans-63.9-50.6-171.4-67.385.1166.400112.2H652 F653 R656 D773 P802 L808H652-E769 IonicContact CE1-OE1 3.65Å; H652-E769 IonicContact CE1-OE2 3.21Å; H652-E769 IonicContact CG-OE1 3.47Å; H652-E769 IonicContact ND1-OE1 3.84Å; H652-E769 PolarHBondContact ND1-OE1 2.86Å; H652-E769 IonicContact ND1-OE2 3.84Å; F653-E769 WeakPolarHBondContact CA-OE1 3.37Å; F653-E769 WeakPolarHBondContact CB-OE1 3.49Å; F653-E769 HydrophobicContact CD2-CG 4.22Å; F653-E769 PolarHBondContact N-OE1 2.83Å; R656-E769 WeakPolarHBondContact CD-OE2 3.15Å; R656-E769 IonicContact CZ-OE2 2.87Å; R656-E769 IonicContact NE-OE2 3.36Å; R656-E769 IonicContact NH1-OE2 2.91Å; R656-E769 PolarHBondContact NH1-OE2 3.07Å; E769-D773 WeakPolarHBondContact O-CB 3.37Å; E769-D773 PolarHBondContact O-N 3.12Å; E769-P802 HydrophobicContact CB-CG 4.01Å; E769-L808 HydrophobicContact CB-CD2 3.96Å; E769-L808 HydrophobicContact CG-CD2 3.95Å
770E92.8Very high90.1Very high5 Ų544.3 Ų44.32%0.02322%0.224CC..Hα-helixtrans-68.1-35.7-178.958.1-88.2-156.200112.8R656 L766 G767 A774 N800R656-E770 IonicContact CZ-OE1 3.61Å; R656-E770 IonicContact CZ-OE2 3.71Å; R656-E770 IonicContact NH1-OE1 3.52Å; R656-E770 IonicContact NH1-OE2 2.85Å; R656-E770 PolarHBondContact NH1-OE2 2.81Å; R656-E770 IonicContact NH2-OE1 3.61Å; R656-E770 PolarHBondContact NH2-OE1 2.67Å; R656-E770 IonicContact NH2-OE2 3.55Å; R656-E770 PolarHBondContact NH2-OE2 2.87Å; L766-E770 HydrophobicContact CD1-CG 4.38Å; G767-E770 PolarHBondContact N-OE1 2.81Å; E770-A774 WeakPolarHBondContact O-CB 3.12Å; E770-A774 PolarHBondContact O-N 2.98Å; E770-N800 WeakPolarHBondContact CB-O 3.47Å
771T94Very high90.4Very high17 Ų1741.7 Ų41.710%0.10421%0.21CC..Hα-helixtrans-69.9-45.917847.90000111.6P758 L759 L766 G767 W768 A774 A775 L799P758-T771 VanDerWaalsContact CG-OG1 3.23Å; P758-T771 WeakPolarHBondContact CG-OG1 3.13Å; L759-T771 HydrophobicContact CD1-CG2 4Å; L759-T771 HydrophobicContact CG-CG2 4.49Å; L766-T771 HydrophobicContact CD1-CG2 3.42Å; L766-T771 VanDerWaalsContact CD1-CG2 3.42Å; L766-T771 HydrophobicContact CD2-CG2 3.79Å; L766-T771 HydrophobicContact CG-CG2 3.53Å; G767-T771 WeakPolarHBondContact O-CG2 3.31Å; G767-T771 PolarHBondContact O-N 2.62Å; G767-T771 PolarHBondContact O-OG1 2.83Å; W768-T771 PolarHBondContact O-N 2.97Å; W768-T771 PolarHBondContact O-OG1 3.02Å; T771-A774 PolarHBondContact O-N 2.78Å; T771-A775 WeakPolarHBondContact O-CB 3.34Å; T771-A775 PolarHBondContact O-N 2.92Å; T771-L799 HydrophobicContact CG2-CD2 4.33Å
772V94.7Very high90.4Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-68.2-42.7177.9176.70000110.8F756 P758 W768 A774 A775 I776 L808F756-V772 HydrophobicContact CD1-CG1 3.96Å; F756-V772 HydrophobicContact CE1-CG1 4.32Å; F756-V772 HydrophobicContact CG-CG1 4.38Å; P758-V772 HydrophobicContact CG-CG2 4.01Å; W768-V772 HydrophobicContact CD2-CG2 3.99Å; W768-V772 HydrophobicContact CG-CG2 4.21Å; W768-V772 HydrophobicContact CZ2-CG1 4.39Å; W768-V772 HydrophobicContact CZ2-CG2 3.98Å; W768-V772 WeakPolarHBondContact O-CB 3.28Å; W768-V772 VanDerWaalsContact O-CG2 3.23Å; W768-V772 WeakPolarHBondContact O-CG2 3.49Å; W768-V772 PolarHBondContact O-N 3.22Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.31Å; V772-A775 PolarHBondContact O-N 3.16Å; V772-I776 HydrophobicContact CG1-CD1 3.48Å; V772-I776 VanDerWaalsContact CG1-CD1 3.48Å; V772-I776 HydrophobicContact CG1-CG1 4.08Å; V772-I776 WeakPolarHBondContact O-CB 3.45Å; V772-I776 VanDerWaalsContact O-CG1 3.24Å; V772-I776 WeakPolarHBondContact O-CG1 3.39Å; V772-I776 PolarHBondContact O-N 2.85Å; V772-L808 HydrophobicContact CB-CD1 4.34Å; V772-L808 HydrophobicContact CG1-CD1 3.94Å
773D93.8Very high90.3Very high25 Ų2539.7 Ų39.713%0.13421%0.207CC..Hα-helixtrans-62.2-42.1176.8-167.151.1000111.4E769 S777 L808 H811E769-D773 WeakPolarHBondContact O-CB 3.37Å; E769-D773 PolarHBondContact O-N 3.12Å; D773-S777 WeakPolarHBondContact O-CA 3.5Å; D773-S777 WeakPolarHBondContact O-CB 3.49Å; D773-S777 PolarHBondContact O-N 3.37Å; D773-S777 PolarHBondContact O-OG 3.13Å; D773-L808 HydrophobicContact CB-CB 4.43Å; D773-L808 HydrophobicContact CB-CD1 3.97Å; D773-L808 WeakPolarHBondContact OD1-CA 3.29Å; D773-H811 IonicContact OD1-CE1 2.63Å; D773-H811 IonicContact OD1-CG 3.84Å; D773-H811 IonicContact OD1-ND1 2.81Å; D773-H811 PolarHBondContact OD1-ND1 2.82Å
774A92.6Very high89.8Confident12 Ų1237.4 Ų37.410%0.09919%0.192CC..Hα-helixtrans-63.5-43.2176.600000112.4E770 T771 V772 H778 S797 L799E770-A774 WeakPolarHBondContact O-CB 3.12Å; E770-A774 PolarHBondContact O-N 2.98Å; T771-A774 PolarHBondContact O-N 2.78Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.31Å; A774-H778 WeakPolarHBondContact O-CB 3.43Å; A774-H778 PolarHBondContact O-N 2.64Å; A774-S797 PolarHBondContact O-OG 2.99Å; A774-S797 VanDerWaalsContact O-OG 3.05Å; A774-L799 HydrophobicContact CB-CD2 3.81Å
775A92.7Very high89.6Confident30 Ų3030.7 Ų30.725%0.24816%0.162CC..Hα-helixtrans-68-46.1178.400000112A755 T771 V772 H778 L779A755-A775 HydrophobicContact CB-CB 3.96Å; T771-A775 WeakPolarHBondContact O-CB 3.34Å; T771-A775 PolarHBondContact O-N 2.92Å; V772-A775 PolarHBondContact O-N 3.16Å; A775-H778 PolarHBondContact O-N 3.05Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.95Å
776I92.2Very high88.8Confident0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-65.1-43.2176.5-65.3174.3000110.3F756 V772 H778 L779 L780 L808 H811 I812 L815F756-I776 HydrophobicContact CD1-CD1 4.36Å; F756-I776 HydrophobicContact CE1-CD1 3.68Å; F756-I776 HydrophobicContact CE2-CD1 3.88Å; F756-I776 HydrophobicContact CE2-CG1 4.12Å; F756-I776 HydrophobicContact CZ-CD1 3.4Å; F756-I776 VanDerWaalsContact CZ-CD1 3.4Å; F756-I776 HydrophobicContact CZ-CG1 4.14Å; V772-I776 HydrophobicContact CG1-CD1 3.48Å; V772-I776 VanDerWaalsContact CG1-CD1 3.48Å; V772-I776 HydrophobicContact CG1-CG1 4.08Å; V772-I776 WeakPolarHBondContact O-CB 3.45Å; V772-I776 VanDerWaalsContact O-CG1 3.24Å; V772-I776 WeakPolarHBondContact O-CG1 3.39Å; V772-I776 PolarHBondContact O-N 2.85Å; I776-H778 VanDerWaalsContact C-N 3.28Å; I776-H778 PolarHBondContact O-N 3Å; I776-L779 PolarHBondContact O-N 2.9Å; I776-L780 HydrophobicContact CG2-CD1 3.67Å; I776-L780 HydrophobicContact CG2-CG 4.06Å; I776-L780 VanDerWaalsContact O-CB 3.29Å; I776-L780 WeakPolarHBondContact O-CB 3.49Å; I776-L780 VanDerWaalsContact O-CG 3.29Å; I776-L780 WeakPolarHBondContact O-CG 3.5Å; I776-L780 PolarHBondContact O-N 3.2Å; I776-L808 HydrophobicContact CD1-CD1 4.37Å; I776-H811 HydrophobicContact CG2-CB 3.9Å; I776-I812 HydrophobicContact CD1-CG1 3.61Å; I776-L815 HydrophobicContact CG1-CD2 4.46Å; I776-L815 HydrophobicContact CG2-CB 4.3Å; I776-L815 HydrophobicContact CG2-CD2 4.31Å
777S90.1Very high88.3Confident0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-54.2-46.4173.1-79.70000111.2D773 L780 K781 H811D773-S777 WeakPolarHBondContact O-CA 3.5Å; D773-S777 WeakPolarHBondContact O-CB 3.49Å; D773-S777 PolarHBondContact O-N 3.37Å; D773-S777 PolarHBondContact O-OG 3.13Å; S777-L780 PolarHBondContact O-N 3.04Å; S777-K781 WeakPolarHBondContact O-CB 3.23Å; S777-K781 PolarHBondContact O-N 2.92Å; S777-H811 PolarHBondContact OG-CE1 3.15Å; S777-H811 PolarHBondContact OG-ND1 3.12Å
778H89.7Confident87.4Confident98 Ų9836.9 Ų36.945%0.45420%0.203SC..Hα-helixtrans-63.5-49.7178.2-177.9-90000111.6A774 A775 I776 L780 K781 T782A774-H778 WeakPolarHBondContact O-CB 3.43Å; A774-H778 PolarHBondContact O-N 2.64Å; A775-H778 PolarHBondContact O-N 3.05Å; I776-H778 VanDerWaalsContact C-N 3.28Å; I776-H778 PolarHBondContact O-N 3Å; H778-L780 PolarHBondContact O-N 3.14Å; H778-K781 WeakPolarHBondContact O-CB 3.13Å; H778-K781 PolarHBondContact O-N 2.95Å; H778-K781 VanDerWaalsContact O-N 3.1Å; H778-T782 PolarHBondContact O-N 2.93Å; H778-T782 PolarHBondContact O-OG1 3.05Å
779L89.8Confident86.3Confident8 Ų843.9 Ų43.94%0.04223%0.233CC..Hα-helixtrans-60.6-42.4177.5-70.7174.3000112.3I751 A755 A775 I776 K781 C783I751-L779 HydrophobicContact CG2-CD1 4.06Å; I751-L779 HydrophobicContact CG2-CD2 3.83Å; A755-L779 HydrophobicContact CB-CD1 3.73Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.95Å; I776-L779 PolarHBondContact O-N 2.9Å; L779-K781 VanDerWaalsContact C-N 3.3Å; L779-K781 PolarHBondContact O-N 2.76Å; L779-C783 WeakPolarHBondContact O-CA 3.33Å; L779-C783 WeakPolarHBondContact O-CB 3.45Å; L779-C783 PolarHBondContact O-N 3.47Å
780L88.7Confident85.4Confident0 Ų046.1 Ų46.10%024%0.243CC..Iπ-helixtrans-63.8-39174.8-75.6172.2000111.2I776 S777 H778 L784 S785 L795 H811 L814 L815 R818I776-L780 HydrophobicContact CG2-CD1 3.67Å; I776-L780 HydrophobicContact CG2-CG 4.06Å; I776-L780 VanDerWaalsContact O-CB 3.29Å; I776-L780 WeakPolarHBondContact O-CB 3.49Å; I776-L780 VanDerWaalsContact O-CG 3.29Å; I776-L780 WeakPolarHBondContact O-CG 3.5Å; I776-L780 PolarHBondContact O-N 3.2Å; S777-L780 PolarHBondContact O-N 3.04Å; H778-L780 PolarHBondContact O-N 3.14Å; L780-L784 HydrophobicContact CD2-CB 4.36Å; L780-L784 HydrophobicContact CD2-CD1 4.01Å; L780-L784 CarbonylContact O-C 3.6Å; L780-L784 PolarHBondContact O-N 3.05Å; L780-S785 WeakPolarHBondContact O-CA 3.32Å; L780-S785 WeakPolarHBondContact O-CB 3.43Å; L780-S785 PolarHBondContact O-N 3.37Å; L780-L795 HydrophobicContact CB-CD1 3.97Å; L780-L795 HydrophobicContact CB-CD2 3.69Å; L780-L795 HydrophobicContact CB-CG 4.5Å; L780-L795 HydrophobicContact CD1-CD2 3.75Å; L780-L795 HydrophobicContact CG-CD2 4.4Å; L780-H811 HydrophobicContact CD1-CB 4.07Å; L780-L814 HydrophobicContact CD1-CD2 4.18Å; L780-L814 HydrophobicContact CD1-CG 4.48Å; L780-L814 HydrophobicContact CD2-CD2 4.47Å; L780-L814 HydrophobicContact CD2-CG 4.23Å; L780-L815 HydrophobicContact CD2-CB 4.27Å; L780-L815 HydrophobicContact CD2-CD1 4.17Å; L780-R818 PolarHBondContact O-NH1 3.44Å
781K86.6Confident84.5Confident83 Ų8348.5 Ų48.536%0.36126%0.255SS..Iπ-helixtrans-69.8-47.6-178.5-176.9176.3-176.8173.70111.9S777 H778 L779 Q791 L795S777-K781 WeakPolarHBondContact O-CB 3.23Å; S777-K781 PolarHBondContact O-N 2.92Å; H778-K781 WeakPolarHBondContact O-CB 3.13Å; H778-K781 PolarHBondContact O-N 2.95Å; H778-K781 VanDerWaalsContact O-N 3.1Å; L779-K781 VanDerWaalsContact C-N 3.3Å; L779-K781 PolarHBondContact O-N 2.76Å; K781-Q791 HydrophobicContact CG-CB 4.03Å; K781-Q791 HydrophobicContact CG-CG 3.89Å; K781-Q791 PolarHBondContact O-NE2 3.07Å; K781-L795 HydrophobicContact CB-CB 4.31Å; K781-L795 HydrophobicContact CB-CD1 4.17Å
782T84.3Confident83.4Confident56 Ų5650.8 Ų50.834%0.34428%0.275SS..Iπ-helixtrans-90.4-33.5-173.359.20000113.9H778H778-T782 PolarHBondContact O-N 2.93Å; H778-T782 PolarHBondContact O-OG1 3.05Å
783C84.2Confident82.3Confident37 Ų3756.2 Ų56.225%0.2530%0.304CS..Iπ-helixtrans-100.9-35.9-173.3-48.90000113.7L779 C826L779-C783 WeakPolarHBondContact O-CA 3.33Å; L779-C783 WeakPolarHBondContact O-CB 3.45Å; L779-C783 PolarHBondContact O-N 3.47Å; C783-C826 PolarHBondContact SG-O 2.79Å
784L79.5Confident81.3Confident25 Ų2559.3 Ų59.313%0.13132%0.32CS..Iπ-helixtrans-119.4-19.3-162.7-59.5175.4000114.5L780 L815 R818 L825L780-L784 HydrophobicContact CD2-CB 4.36Å; L780-L784 HydrophobicContact CD2-CD1 4.01Å; L780-L784 CarbonylContact O-C 3.6Å; L780-L784 PolarHBondContact O-N 3.05Å; L784-L815 HydrophobicContact CD1-CD1 3.57Å; L784-R818 HydrophobicContact CB-CB 4.37Å; L784-R818 HydrophobicContact CD1-CB 4.12Å; L784-R818 PolarHBondContact O-NH1 2.95Å; L784-L825 HydrophobicContact CD1-CD2 4.27Å
785S77.5Confident80.5Confident13 Ų1358.9 Ų58.99%0.09132%0.316CS..  trans-91.7130.6-178.5-166.50000111.7L780 S787 E790 Q791 R818L780-S785 WeakPolarHBondContact O-CA 3.32Å; L780-S785 WeakPolarHBondContact O-CB 3.43Å; L780-S785 PolarHBondContact O-N 3.37Å; S785-S787 PolarHBondContact OG-N 2.87Å; S785-E790 PolarHBondContact OG-OE2 3.39Å; S785-Q791 PolarHBondContact O-NE2 2.89Å; S785-R818 VanDerWaalsContact CB-NH1 3.29Å; S785-R818 VanDerWaalsContact N-NH1 3.11Å
786K69.7Low79.8Confident214 Ų21461.4 Ų61.493%0.9333%0.326SS*.  trans-99.1-14.2172-64.4-176.4-179.8179.30113
787S79Confident79.1Confident54 Ų5464.4 Ų64.438%0.37835%0.347SS..  trans-100.8114-173.6177.60000110.8S785 K789 E790 Q791S785-S787 PolarHBondContact OG-N 2.87Å; S787-K789 PolarHBondContact O-N 3Å; S787-E790 PolarHBondContact O-N 3.01Å; S787-E790 VanDerWaalsContact O-N 3.14Å; S787-E790 PolarHBondContact OG-N 2.95Å; S787-Q791 WeakPolarHBondContact O-CG 3.35Å; S787-Q791 PolarHBondContact O-N 2.77Å
788S73.5Confident78.9Confident92 Ų9270.5 Ų70.564%0.64338%0.375SS*.Hα-helixtrans-58.6-33.1174.552.80000112.7Q791 A792S788-Q791 PolarHBondContact O-N 3.35Å; S788-A792 PolarHBondContact O-N 2.83Å; S788-A792 VanDerWaalsContact O-N 3.13Å
789K72.4Confident78.9Confident150 Ų15070.5 Ų70.565%0.65238%0.378SS*.Hα-helixtrans-65.8-38.7176.9-174.1175.9-180-178.70112.2S787 L793S787-K789 PolarHBondContact O-N 3Å; K789-L793 HydrophobicContact CG-CD1 3.8Å; K789-L793 WeakPolarHBondContact O-CB 3.38Å; K789-L793 WeakPolarHBondContact O-CG 3.43Å; K789-L793 PolarHBondContact O-N 2.88Å
790E74.9Confident78.8Confident49 Ų4975.6 Ų75.623%0.22941%0.405CS..Hα-helixtrans-72.8-39.7176.8-171.4-178.6-166.100111.2S785 S787 A792 L793 N794 R818S785-E790 PolarHBondContact OG-OE2 3.39Å; S787-E790 PolarHBondContact O-N 3.01Å; S787-E790 VanDerWaalsContact O-N 3.14Å; S787-E790 PolarHBondContact OG-N 2.95Å; E790-A792 PolarHBondContact O-N 2.7Å; E790-L793 PolarHBondContact O-N 2.78Å; E790-N794 HydrophobicContact CG-CB 4.45Å; E790-N794 PolarHBondContact O-N 2.75Å; E790-N794 VanDerWaalsContact O-N 3.08Å; E790-R818 IonicContact OE1-CZ 3.32Å; E790-R818 IonicContact OE1-NH2 2.76Å; E790-R818 PolarHBondContact OE1-NH2 3.17Å; E790-R818 IonicContact OE2-CZ 2.71Å; E790-R818 IonicContact OE2-NH2 2.74Å; E790-R818 PolarHBondContact OE2-NH2 2.85Å
791Q74.4Confident78.8Confident55 Ų5578.5 Ų78.526%0.25742%0.42SS..Hα-helixtrans-58.7-31.6175.2-71.6177.3-12.600113.5K781 S785 S787 S788K781-Q791 HydrophobicContact CG-CB 4.03Å; K781-Q791 HydrophobicContact CG-CG 3.89Å; K781-Q791 PolarHBondContact O-NE2 3.07Å; S785-Q791 PolarHBondContact O-NE2 2.89Å; S787-Q791 WeakPolarHBondContact O-CG 3.35Å; S787-Q791 PolarHBondContact O-N 2.77Å; S788-Q791 PolarHBondContact O-N 3.35Å
792A70Confident79Confident65 Ų6576.4 Ų76.454%0.53742%0.415SS..Hα-helixtrans-91.2-30.7-178.100000114S788 E790 N796S788-A792 PolarHBondContact O-N 2.83Å; S788-A792 VanDerWaalsContact O-N 3.13Å; E790-A792 PolarHBondContact O-N 2.7Å; A792-N796 PolarHBondContact O-OD1 2.76Å
793L71.5Confident79.3Confident114 Ų11483.5 Ų83.560%0.59744%0.441SS*.Hα-helixtrans-97.3-37.1-172.4-71.1170.9000113.7K789 E790K789-L793 HydrophobicContact CG-CD1 3.8Å; K789-L793 WeakPolarHBondContact O-CB 3.38Å; K789-L793 WeakPolarHBondContact O-CG 3.43Å; K789-L793 PolarHBondContact O-N 2.88Å; E790-L793 PolarHBondContact O-N 2.78Å
794N73.4Confident79.7Confident91 Ų9185.5 Ų85.549%0.48745%0.449SS..THydrogen-bonded Turntrans-111.2-20.9-169.2-64.1-20.2000113.2E790 H811E790-N794 HydrophobicContact CG-CB 4.45Å; E790-N794 PolarHBondContact O-N 2.75Å; E790-N794 VanDerWaalsContact O-N 3.08Å; N794-H811 PolarHBondContact O-CE1 2.79Å; N794-H811 PolarHBondContact O-NE2 2.84Å
795L75.3Confident80.4Confident2 Ų284.7 Ų84.71%0.0145%0.445CS..  trans-11163.7-173.1-60.5173.3000110.3L780 K781L780-L795 HydrophobicContact CB-CD1 3.97Å; L780-L795 HydrophobicContact CB-CD2 3.69Å; L780-L795 HydrophobicContact CB-CG 4.5Å; L780-L795 HydrophobicContact CD1-CD2 3.75Å; L780-L795 HydrophobicContact CG-CD2 4.4Å; K781-L795 HydrophobicContact CB-CB 4.31Å; K781-L795 HydrophobicContact CB-CD1 4.17Å
796N78.2Confident81.2Confident84 Ų8486.5 Ų86.545%0.44946%0.458SS..  trans-98.1115.7177.8-78.2-23.4000110.2A792 Q798A792-N796 PolarHBondContact O-OD1 2.76Å; N796-Q798 PolarHBondContact O-N 3.07Å
797S79.1Confident82.2Confident63 Ų6380.5 Ų80.544%0.44143%0.433SS..  trans-82.4102174.1-55.60000109.8A774A774-S797 PolarHBondContact O-OG 2.99Å; A774-S797 VanDerWaalsContact O-OG 3.05Å
798Q85.3Confident83Confident128 Ų12878.2 Ų78.260%0.59842%0.417SS*.  trans-117.1145.6171.2-65.5-171.2-1100109.7N796N796-Q798 PolarHBondContact O-N 3.07Å
799L89.8Confident84Confident98 Ų9875.9 Ų75.951%0.51340%0.395SS..  trans-113.244.5-178.8-65.7174.6000111.2L766 T771 A774L766-L799 HydrophobicContact CD1-CB 4.46Å; L766-L799 HydrophobicContact CD1-CD2 4.25Å; T771-L799 HydrophobicContact CG2-CD2 4.33Å; A774-L799 HydrophobicContact CB-CD2 3.81Å
800N87.9Confident85Confident115 Ų11574.8 Ų74.862%0.61539%0.39SS*.SBendtrans-119154173.7-61.3-44.7000108.3E770 P802E770-N800 WeakPolarHBondContact CB-O 3.47Å; N800-P802 VanDerWaalsContact O-N 3.15Å
801I89.2Confident85.9Confident61 Ų6172.8 Ų72.831%0.31338%0.381SS..  trans-51.7122.9175.4-167169000110.2F653 I657F653-I801 HydrophobicContact CE2-CG1 4.2Å; I657-I801 HydrophobicContact CD1-CD1 3.95Å
802P90.3Very high86.8Confident38 Ų3870.2 Ų70.225%0.24737%0.369CS..  trans-70.4161.9-178.826.6-31.3000110.3F653 E769 N800F653-P802 HydrophobicContact CD2-CG 4.36Å; F653-P802 HydrophobicContact CE2-CG 3.72Å; F653-P802 WeakPolarHBondContact CE2-O 3.25Å; F653-P802 HydrophobicContact CZ-CG 4.41Å; F653-P802 WeakPolarHBondContact CZ-O 3.33Å; E769-P802 HydrophobicContact CB-CG 4.01Å; N800-P802 VanDerWaalsContact O-N 3.15Å
803K90.6Very high88Confident205 Ų20570 Ų7089%0.89136%0.361SS*.SBendtrans-77.2-30.4174.6-66-176.9179.4-178.60112.7
804D92.3Very high88.9Confident80 Ų8066.7 Ų66.743%0.42834%0.344SS..  trans-156.5164178.665.158.7000109.7S806D804-S806 VanDerWaalsContact C-N 3.26Å; D804-S806 PolarHBondContact O-N 3.47Å; D804-S806 WeakPolarHBondContact OD1-CA 3.38Å; D804-S806 WeakPolarHBondContact OD1-CB 3.49Å; D804-S806 PolarHBondContact OD1-N 2.78Å; D804-S806 PolarHBondContact OD1-OG 2.85Å
805T94.6Very high89.8Confident8 Ų862.3 Ų62.35%0.04932%0.32CS..THydrogen-bonded Turntrans-82.85.1-179.351.60000113.3I649 D650 F653 Q807 L808 K809I649-T805 HydrophobicContact CG2-CG2 3.92Å; D650-T805 PolarHBondContact OD1-OG1 2.82Å; F653-T805 HydrophobicContact CB-CG2 3.44Å; F653-T805 VanDerWaalsContact CB-CG2 3.44Å; F653-T805 HydrophobicContact CD1-CG2 3.72Å; F653-T805 HydrophobicContact CD2-CG2 4.12Å; F653-T805 HydrophobicContact CG-CG2 3.48Å; F653-T805 VanDerWaalsContact CG-CG2 3.48Å; T805-Q807 PolarHBondContact O-N 3.29Å; T805-L808 PolarHBondContact O-N 3.4Å; T805-K809 VanDerWaalsContact CB-CE 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.26Å; T805-K809 PolarHBondContact O-N 3.48Å; T805-K809 VanDerWaalsContact O-N 3.08Å; T805-K809 WeakPolarHBondContact OG1-CE 3.36Å; T805-K809 PolarHBondContact OG1-NZ 3.48Å; T805-K809 VanDerWaalsContact OG1-NZ 3.12Å
806S93.7Very high90.6Very high50 Ų5062.6 Ų62.635%0.3532%0.322SS..Hα-helixtrans-68-35.3-170.3-47.90000112.9D804 K810D804-S806 VanDerWaalsContact C-N 3.26Å; D804-S806 PolarHBondContact O-N 3.47Å; D804-S806 WeakPolarHBondContact OD1-CA 3.38Å; D804-S806 WeakPolarHBondContact OD1-CB 3.49Å; D804-S806 PolarHBondContact OD1-N 2.78Å; D804-S806 PolarHBondContact OD1-OG 2.85Å; S806-K810 WeakPolarHBondContact O-CB 3.4Å; S806-K810 WeakPolarHBondContact O-CD 3.41Å; S806-K810 WeakPolarHBondContact O-CG 3.39Å; S806-K810 PolarHBondContact O-N 3.47Å; S806-K810 VanDerWaalsContact O-N 3.16Å
807Q91.8Very high91.2Very high88 Ų8861.5 Ų61.541%0.41132%0.316SS..Hα-helixtrans-68-51.2177.7-72.7-64.8-14.900110.8T805 K809 K810 H811T805-Q807 PolarHBondContact O-N 3.29Å; Q807-K809 PolarHBondContact O-N 3.32Å; Q807-K810 WeakPolarHBondContact O-CA 3.49Å; Q807-K810 WeakPolarHBondContact O-CB 3.25Å; Q807-K810 PolarHBondContact O-N 3.17Å; Q807-H811 PolarHBondContact O-CD2 2.88Å; Q807-H811 PolarHBondContact O-N 3.22Å; Q807-H811 PolarHBondContact OE1-NE2 3.32Å
808L94.1Very high91.7Very high6 Ų659.9 Ų59.93%0.03130%0.3CS..Hα-helixtrans-53.5-49.8177177.659.5000112I649 W768 E769 V772 D773 I776 T805 K810 H811 I812I649-L808 HydrophobicContact CG2-CD2 4.05Å; W768-L808 HydrophobicContact CE3-CD2 4.37Å; W768-L808 HydrophobicContact CZ3-CD2 3.79Å; E769-L808 HydrophobicContact CB-CD2 3.96Å; E769-L808 HydrophobicContact CG-CD2 3.95Å; V772-L808 HydrophobicContact CB-CD1 4.34Å; V772-L808 HydrophobicContact CG1-CD1 3.94Å; D773-L808 HydrophobicContact CB-CB 4.43Å; D773-L808 HydrophobicContact CB-CD1 3.97Å; D773-L808 WeakPolarHBondContact OD1-CA 3.29Å; I776-L808 HydrophobicContact CD1-CD1 4.37Å; T805-L808 PolarHBondContact O-N 3.4Å; L808-K810 VanDerWaalsContact C-N 3.33Å; L808-K810 PolarHBondContact O-N 3.19Å; L808-H811 PolarHBondContact O-N 3.04Å; L808-H811 VanDerWaalsContact O-N 3.14Å; L808-I812 HydrophobicContact CD1-CD1 3.78Å; L808-I812 HydrophobicContact CD1-CG1 4.08Å; L808-I812 HydrophobicContact CG-CD1 3.84Å; L808-I812 VanDerWaalsContact O-CG1 3.32Å; L808-I812 WeakPolarHBondContact O-CG1 2.94Å; L808-I812 PolarHBondContact O-N 2.92Å
809K95.4Very high92Very high43 Ų4353.8 Ų53.819%0.18727%0.272CS..Hα-helixtrans-59.6-41176.8-68.1179.3-138.8178.60112.9F646 D650 T805 Q807 T813F646-K809 HydrophobicContact CB-CD 4.01Å; F646-K809 HydrophobicContact CB-CG 4.32Å; F646-K809 HydrophobicContact CD1-CB 4.44Å; F646-K809 HydrophobicContact CD1-CD 4.42Å; F646-K809 HydrophobicContact CD1-CG 3.81Å; F646-K809 HydrophobicContact CD2-CB 4.13Å; F646-K809 HydrophobicContact CD2-CD 3.84Å; F646-K809 HydrophobicContact CD2-CG 3.88Å; F646-K809 HydrophobicContact CE1-CB 4.17Å; F646-K809 HydrophobicContact CE1-CG 4.01Å; F646-K809 HydrophobicContact CE2-CB 3.85Å; F646-K809 HydrophobicContact CE2-CD 4.41Å; F646-K809 HydrophobicContact CE2-CG 4.09Å; F646-K809 HydrophobicContact CG-CB 4.41Å; F646-K809 HydrophobicContact CG-CD 3.84Å; F646-K809 HydrophobicContact CG-CG 3.73Å; F646-K809 HydrophobicContact CZ-CB 3.86Å; F646-K809 HydrophobicContact CZ-CG 4.14Å; F646-K809 WeakPolarHBondContact CZ-O 3.4Å; D650-K809 WeakPolarHBondContact OD1-CE 3.43Å; D650-K809 IonicContact OD1-NZ 2.62Å; D650-K809 PolarHBondContact OD1-NZ 3.25Å; D650-K809 IonicContact OD2-NZ 2.63Å; D650-K809 PolarHBondContact OD2-NZ 3.42Å; T805-K809 VanDerWaalsContact CB-CE 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.26Å; T805-K809 PolarHBondContact O-N 3.48Å; T805-K809 VanDerWaalsContact O-N 3.08Å; T805-K809 WeakPolarHBondContact OG1-CE 3.36Å; T805-K809 PolarHBondContact OG1-NZ 3.48Å; T805-K809 VanDerWaalsContact OG1-NZ 3.12Å; Q807-K809 PolarHBondContact O-N 3.32Å; K809-T813 WeakPolarHBondContact O-CB 3.47Å; K809-T813 PolarHBondContact O-N 3.26Å; K809-T813 PolarHBondContact O-OG1 2.88Å
810K93.3Very high91.9Very high128 Ų12851.6 Ų51.656%0.55727%0.265SS*.Hα-helixtrans-63.5-42.8175.8-77170.8-174.6173.40111S806 Q807 L808 T813 L814S806-K810 WeakPolarHBondContact O-CB 3.4Å; S806-K810 WeakPolarHBondContact O-CD 3.41Å; S806-K810 WeakPolarHBondContact O-CG 3.39Å; S806-K810 PolarHBondContact O-N 3.47Å; S806-K810 VanDerWaalsContact O-N 3.16Å; Q807-K810 WeakPolarHBondContact O-CA 3.49Å; Q807-K810 WeakPolarHBondContact O-CB 3.25Å; Q807-K810 PolarHBondContact O-N 3.17Å; L808-K810 VanDerWaalsContact C-N 3.33Å; L808-K810 PolarHBondContact O-N 3.19Å; K810-T813 PolarHBondContact O-N 2.62Å; K810-L814 WeakPolarHBondContact O-CB 3.42Å; K810-L814 PolarHBondContact O-N 3Å
811H93.3Very high92Very high7 Ų753.3 Ų53.33%0.03227%0.267CS..Hα-helixtrans-69.3-41.8-178.6-74.4-152.6000111.6D773 I776 S777 L780 N794 Q807 L808 L814 L815D773-H811 IonicContact OD1-CE1 2.63Å; D773-H811 IonicContact OD1-CG 3.84Å; D773-H811 IonicContact OD1-ND1 2.81Å; D773-H811 PolarHBondContact OD1-ND1 2.82Å; I776-H811 HydrophobicContact CG2-CB 3.9Å; S777-H811 PolarHBondContact OG-CE1 3.15Å; S777-H811 PolarHBondContact OG-ND1 3.12Å; L780-H811 HydrophobicContact CD1-CB 4.07Å; N794-H811 PolarHBondContact O-CE1 2.79Å; N794-H811 PolarHBondContact O-NE2 2.84Å; Q807-H811 PolarHBondContact O-CD2 2.88Å; Q807-H811 PolarHBondContact O-N 3.22Å; Q807-H811 PolarHBondContact OE1-NE2 3.32Å; L808-H811 PolarHBondContact O-N 3.04Å; L808-H811 VanDerWaalsContact O-N 3.14Å; H811-L814 PolarHBondContact O-N 3.14Å; H811-L815 WeakPolarHBondContact O-CB 3.24Å; H811-L815 PolarHBondContact O-N 2.79Å
812I94.4Very high91.8Very high0 Ų052.8 Ų52.80%028%0.277CS..Hα-helixtrans-60.3-48.2172.8-66.6167000110.5L642 Y645 F646 I649 F756 I776 L808 L814 L815 C816L642-I812 HydrophobicContact CD2-CG2 3.95Å; Y645-I812 HydrophobicContact CE1-CD1 4.16Å; F646-I812 HydrophobicContact CE1-CB 4.16Å; F646-I812 HydrophobicContact CE1-CD1 4.14Å; F646-I812 HydrophobicContact CE1-CG2 3.98Å; F646-I812 HydrophobicContact CZ-CB 4.34Å; F646-I812 HydrophobicContact CZ-CG2 4.26Å; I649-I812 HydrophobicContact CD1-CD1 3.87Å; F756-I812 HydrophobicContact CE1-CD1 4.23Å; F756-I812 HydrophobicContact CE1-CG1 3.98Å; F756-I812 HydrophobicContact CE1-CG2 4.49Å; F756-I812 HydrophobicContact CZ-CG1 4.26Å; I776-I812 HydrophobicContact CD1-CG1 3.61Å; L808-I812 HydrophobicContact CD1-CD1 3.78Å; L808-I812 HydrophobicContact CD1-CG1 4.08Å; L808-I812 HydrophobicContact CG-CD1 3.84Å; L808-I812 VanDerWaalsContact O-CG1 3.32Å; L808-I812 WeakPolarHBondContact O-CG1 2.94Å; L808-I812 PolarHBondContact O-N 2.92Å; I812-L814 VanDerWaalsContact C-N 3.32Å; I812-L814 PolarHBondContact O-N 2.69Å; I812-L815 WeakPolarHBondContact O-CB 3.42Å; I812-L815 PolarHBondContact O-N 3.41Å; I812-C816 PolarHBondContact O-N 3.46Å; I812-C816 PolarHBondContact O-SG 2.9Å; I812-C816 VanDerWaalsContact O-SG 3.41Å
813T94.1Very high91.6Very high61 Ų6151.9 Ų51.937%0.37427%0.274SS..Hα-helixtrans-60.6-43.2178-55.20000111.3L642 K809 K810 C816 D817L642-T813 HydrophobicContact CD1-CG2 4.45Å; K809-T813 WeakPolarHBondContact O-CB 3.47Å; K809-T813 PolarHBondContact O-N 3.26Å; K809-T813 PolarHBondContact O-OG1 2.88Å; K810-T813 PolarHBondContact O-N 2.62Å; T813-C816 PolarHBondContact O-N 2.63Å; T813-D817 WeakPolarHBondContact O-CB 3.39Å; T813-D817 PolarHBondContact O-N 3.07Å
814L91.8Very high91.5Very high44 Ų4446.9 Ų46.923%0.2325%0.249CC..Hα-helixtrans-65.3-38.2177.8-17662.2000112L780 K810 H811 I812 D817 R818L780-L814 HydrophobicContact CD1-CD2 4.18Å; L780-L814 HydrophobicContact CD1-CG 4.48Å; L780-L814 HydrophobicContact CD2-CD2 4.47Å; L780-L814 HydrophobicContact CD2-CG 4.23Å; K810-L814 WeakPolarHBondContact O-CB 3.42Å; K810-L814 PolarHBondContact O-N 3Å; H811-L814 PolarHBondContact O-N 3.14Å; I812-L814 VanDerWaalsContact C-N 3.32Å; I812-L814 PolarHBondContact O-N 2.69Å; L814-D817 PolarHBondContact O-N 2.8Å; L814-R818 HydrophobicContact CD1-CG 4.26Å; L814-R818 WeakPolarHBondContact O-CB 3.46Å; L814-R818 VanDerWaalsContact O-CG 3.29Å; L814-R818 WeakPolarHBondContact O-CG 3.42Å; L814-R818 PolarHBondContact O-N 3.34Å
815L92.3Very high91.4Very high0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-61.1-51174.1-17969.5000110.6L752 F756 I776 L780 L784 H811 I812 D817 R818 L819 L825L752-L815 HydrophobicContact CD2-CD2 4.22Å; F756-L815 HydrophobicContact CE2-CD2 3.59Å; F756-L815 HydrophobicContact CZ-CD2 3.79Å; I776-L815 HydrophobicContact CG1-CD2 4.46Å; I776-L815 HydrophobicContact CG2-CB 4.3Å; I776-L815 HydrophobicContact CG2-CD2 4.31Å; L780-L815 HydrophobicContact CD2-CB 4.27Å; L780-L815 HydrophobicContact CD2-CD1 4.17Å; L784-L815 HydrophobicContact CD1-CD1 3.57Å; H811-L815 WeakPolarHBondContact O-CB 3.24Å; H811-L815 PolarHBondContact O-N 2.79Å; I812-L815 WeakPolarHBondContact O-CB 3.42Å; I812-L815 PolarHBondContact O-N 3.41Å; L815-D817 PolarHBondContact O-N 3.18Å; L815-R818 PolarHBondContact O-N 2.8Å; L815-L819 HydrophobicContact CD1-CD1 4.43Å; L815-L819 HydrophobicContact CG-CD1 4.17Å; L815-L819 WeakPolarHBondContact O-CB 3.38Å; L815-L819 VanDerWaalsContact O-CG 3.32Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.34Å; L815-L825 HydrophobicContact CD1-CD2 4.36Å
816C92Very high90.8Very high7 Ų745.6 Ų45.65%0.04725%0.246CC..Hα-helixtrans-59.1-44.5177.4-66.70000112I640 I812 T813 L819 S820I640-C816 HydrophobicContact CD1-CB 4.14Å; I812-C816 PolarHBondContact O-N 3.46Å; I812-C816 PolarHBondContact O-SG 2.9Å; I812-C816 VanDerWaalsContact O-SG 3.41Å; T813-C816 PolarHBondContact O-N 2.63Å; C816-L819 PolarHBondContact O-N 2.89Å; C816-S820 WeakPolarHBondContact O-CB 3.41Å; C816-S820 PolarHBondContact O-N 3.08Å
817D90.8Very high90.1Very high61 Ų6150 Ų5033%0.32627%0.265SS..Hα-helixtrans-62.5-44.4177.3175.554.7000112T813 L814 L815 S820 K821T813-D817 WeakPolarHBondContact O-CB 3.39Å; T813-D817 PolarHBondContact O-N 3.07Å; L814-D817 PolarHBondContact O-N 2.8Å; L815-D817 PolarHBondContact O-N 3.18Å; D817-S820 WeakPolarHBondContact O-CB 3.48Å; D817-S820 PolarHBondContact O-N 2.8Å; D817-S820 PolarHBondContact O-OG 2.99Å; D817-K821 VanDerWaalsContact CG-NZ 3.27Å; D817-K821 WeakPolarHBondContact O-CG 3.42Å; D817-K821 PolarHBondContact O-N 3.14Å; D817-K821 VanDerWaalsContact O-N 3.09Å; D817-K821 WeakPolarHBondContact OD1-CE 3.23Å; D817-K821 IonicContact OD1-NZ 3.1Å; D817-K821 PolarHBondContact OD1-NZ 3.34Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 WeakPolarHBondContact OD2-CE 3.28Å; D817-K821 IonicContact OD2-NZ 2.66Å; D817-K821 PolarHBondContact OD2-NZ 2.88Å
818R89.9Confident88.8Confident29 Ų2949.8 Ų49.811%0.10927%0.273CS..Hα-helixtrans-69.7-36.1179.2-72.2-172.9-174.6-170.8-7.7113.2L780 L784 S785 E790 L814 L815 S820 K821 G823L780-R818 PolarHBondContact O-NH1 3.44Å; L784-R818 HydrophobicContact CB-CB 4.37Å; L784-R818 HydrophobicContact CD1-CB 4.12Å; L784-R818 PolarHBondContact O-NH1 2.95Å; S785-R818 VanDerWaalsContact CB-NH1 3.29Å; S785-R818 VanDerWaalsContact N-NH1 3.11Å; E790-R818 IonicContact OE1-CZ 3.32Å; E790-R818 IonicContact OE1-NH2 2.76Å; E790-R818 PolarHBondContact OE1-NH2 3.17Å; E790-R818 IonicContact OE2-CZ 2.71Å; E790-R818 IonicContact OE2-NH2 2.74Å; E790-R818 PolarHBondContact OE2-NH2 2.85Å; L814-R818 HydrophobicContact CD1-CG 4.26Å; L814-R818 WeakPolarHBondContact O-CB 3.46Å; L814-R818 VanDerWaalsContact O-CG 3.29Å; L814-R818 WeakPolarHBondContact O-CG 3.42Å; L814-R818 PolarHBondContact O-N 3.34Å; L815-R818 PolarHBondContact O-N 2.8Å; R818-S820 VanDerWaalsContact C-N 3.29Å; R818-K821 PolarHBondContact O-N 3.32Å; R818-G823 WeakPolarHBondContact O-CA 3.26Å; R818-G823 PolarHBondContact O-N 3.49Å
819L90.6Very high86.8Confident0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-62.7-40.1171.2-71.2175.4000110.8I738 Q742 L815 C816 K821 G822 G823 L825I738-L819 HydrophobicContact CG2-CD1 3.88Å; Q742-L819 HydrophobicContact CG-CB 4.24Å; Q742-L819 PolarHBondContact OE1-O 3.36Å; L815-L819 HydrophobicContact CD1-CD1 4.43Å; L815-L819 HydrophobicContact CG-CD1 4.17Å; L815-L819 WeakPolarHBondContact O-CB 3.38Å; L815-L819 VanDerWaalsContact O-CG 3.32Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.34Å; C816-L819 PolarHBondContact O-N 2.89Å; L819-K821 VanDerWaalsContact C-N 3.25Å; L819-K821 PolarHBondContact O-N 2.82Å; L819-G822 PolarHBondContact O-N 3.43Å; L819-G823 WeakPolarHBondContact CD2-O 3.4Å; L819-L825 HydrophobicContact CD2-CD2 4.32Å; L819-L825 HydrophobicContact CD2-CG 4.25Å
820S87.8Confident84.2Confident52 Ų5260 Ų6036%0.36433%0.334SS..Hα-helixtrans-63.1-29.9176.189.30000114.1C816 D817 R818 G822C816-S820 WeakPolarHBondContact O-CB 3.41Å; C816-S820 PolarHBondContact O-N 3.08Å; D817-S820 WeakPolarHBondContact O-CB 3.48Å; D817-S820 PolarHBondContact O-N 2.8Å; D817-S820 PolarHBondContact O-OG 2.99Å; R818-S820 VanDerWaalsContact C-N 3.29Å; S820-G822 PolarHBondContact O-N 3.3Å
821K88.9Confident81.5Confident152 Ų15257 Ų5766%0.66133%0.334SS*.THydrogen-bonded Turntrans-82.410.4176-69.9168.7179.4165.10113.4D817 R818 L819D817-K821 VanDerWaalsContact CG-NZ 3.27Å; D817-K821 WeakPolarHBondContact O-CG 3.42Å; D817-K821 PolarHBondContact O-N 3.14Å; D817-K821 VanDerWaalsContact O-N 3.09Å; D817-K821 WeakPolarHBondContact OD1-CE 3.23Å; D817-K821 IonicContact OD1-NZ 3.1Å; D817-K821 PolarHBondContact OD1-NZ 3.34Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 WeakPolarHBondContact OD2-CE 3.28Å; D817-K821 IonicContact OD2-NZ 2.66Å; D817-K821 PolarHBondContact OD2-NZ 2.88Å; R818-K821 PolarHBondContact O-N 3.32Å; L819-K821 VanDerWaalsContact C-N 3.25Å; L819-K821 PolarHBondContact O-N 2.82Å
822G86.3Confident78.6Confident50 Ų5061.3 Ų61.352%0.51537%0.37SS..THydrogen-bonded Turntrans92.97.8177.500000114.9L819 S820L819-G822 PolarHBondContact O-N 3.43Å; S820-G822 PolarHBondContact O-N 3.3Å
823G86.8Confident75.5Confident18 Ų1864.9 Ų64.919%0.18640%0.399CS..  trans-59.2148.4171.900000112.4R818 L819R818-G823 WeakPolarHBondContact O-CA 3.26Å; R818-G823 PolarHBondContact O-N 3.49Å; L819-G823 WeakPolarHBondContact CD2-O 3.4Å
824R88Confident72.6Confident100 Ų10067.8 Ų67.838%0.37742%0.419SS..  trans-134.7154.7177.8-67.2-63.1-179.8-104.613.7110Q742Q742-R824 PolarHBondContact O-NH2 2.93Å
825L88.9Confident69.6Low4 Ų474.9 Ų74.92%0.02145%0.451CS..  trans-98137.7-174.1-56.6172.5000110.7Q748 I751 L752 L784 L815 L819Q748-L825 HydrophobicContact CG-CB 4.3Å; I751-L825 HydrophobicContact CD1-CB 4.26Å; I751-L825 HydrophobicContact CG2-CB 4.3Å; I751-L825 HydrophobicContact CG2-CD1 4.33Å; L752-L825 HydrophobicContact CD1-CD1 4.26Å; L752-L825 HydrophobicContact CD2-CD1 3.56Å; L752-L825 HydrophobicContact CG-CD1 3.57Å; L784-L825 HydrophobicContact CD1-CD2 4.27Å; L815-L825 HydrophobicContact CD1-CD2 4.36Å; L819-L825 HydrophobicContact CD2-CD2 4.32Å; L819-L825 HydrophobicContact CD2-CG 4.25Å
826C83.9Confident66.6Low57 Ų5780.6 Ų80.639%0.38549%0.486SS..  trans-146.4150.4178.7-62.30000110.5C783C783-C826 PolarHBondContact SG-O 2.79Å
827L78.7Confident63.6Low142 Ų14289.1 Ų89.174%0.74353%0.528SS*.SBendtrans-95.2-17.5178.8-66.8171000113.7I751I751-L827 HydrophobicContact CD1-CD1 4.42Å; I751-L827 HydrophobicContact CD1-CD2 4.41Å; I751-L827 HydrophobicContact CD1-CG 3.96Å; I751-L827 HydrophobicContact CG1-CD1 4.23Å; I751-L827 HydrophobicContact CG1-CD2 4.18Å; I751-L827 HydrophobicContact CG1-CG 4.08Å
828S64.1Low60.9Low84 Ų8492.4 Ų92.459%0.58755%0.55SS*.  trans-104.6130.8-174.4-37.90000111.2D830S828-D830 PolarHBondContact O-N 2.97Å
829T51.3Low58.1Low112 Ų11298.8 Ų98.869%0.68758%0.583SS**G310 helixtrans-63.6-17174.9380000113.9
830D41.3Very low55.3Low152 Ų152105.1 Ų105.181%0.81362%0.624SS**G310 helixtrans-90.1-4.6-173-68.7-23.4000115.2S828S828-D830 PolarHBondContact O-N 2.97Å
831A35.8Very low52.7Low66 Ų66106.2 Ų106.255%0.54564%0.643SS.*G310 helixtrans-90.4-1.3-177.100000114.6A833A831-A833 VanDerWaalsContact C-N 3.29Å; A831-A833 PolarHBondContact O-N 3.23Å; A831-A833 VanDerWaalsContact O-N 3.14Å
832A33.6Very low49.8Very low97 Ų97102.8 Ų102.880%0.80265%0.651SS**  trans-8852.8-17900000113
833A29Very low47.2Very low74 Ų74106.8 Ų106.861%0.61267%0.67SS**SBendtrans-118.2125.9162.400000108.5A831 Q835A831-A833 VanDerWaalsContact C-N 3.29Å; A831-A833 PolarHBondContact O-N 3.23Å; A831-A833 VanDerWaalsContact O-N 3.14Å; A833-Q835 PolarHBondContact O-N 3.36Å; A833-Q835 VanDerWaalsContact O-N 3.12Å
834P33.2Very low44.6Very low122 Ų122111.6 Ų111.679%0.79270%0.696SS**  trans-65.5118-176.326.3-31.1000109.4T836P834-T836 PolarHBondContact O-N 3.12Å
835Q29.2Very low41.8Very low194 Ų194112.6 Ų112.691%0.90771%0.713SS**  trans-68.199.2167-76.1-176.9-9.200108.6A833 M837A833-Q835 PolarHBondContact O-N 3.36Å; A833-Q835 VanDerWaalsContact O-N 3.12Å; Q835-M837 PolarHBondContact O-N 3.18Å
836T29.5Very low39.2Very low120 Ų120120 Ų12074%0.73675%0.751SS**  trans-56.6119168.5-24.40000109.2P834 V838P834-T836 PolarHBondContact O-N 3.12Å; T836-V838 PolarHBondContact O-N 2.84Å; T836-V838 VanDerWaalsContact O-N 3.13Å
837M27.5Very low36.9Very low185 Ų185122.8 Ų122.891%0.91177%0.768SS**  trans-58.5113.6167.8-79.6177.37200109.1Q835Q835-M837 PolarHBondContact O-N 3.18Å
838V33.9Very low34.8Very low130 Ų130125 Ų12579%0.78878%0.775SS**  trans-126118.6166.3-175.70000108.2T836T836-V838 PolarHBondContact O-N 2.84Å; T836-V838 VanDerWaalsContact O-N 3.13Å
839M31.1Very low33.3Very low164 Ų164125.9 Ų125.981%0.80878%0.781SS**  trans-59.3147.6176.5-73.6-80.1-71.500111.8G841M839-G841 PolarHBondContact O-N 3.42Å
840P33Very low32.6Very low132 Ų132128.5 Ų128.586%0.85779%0.791SS**  trans-79.9114.4-176.831.2-30.8000111
841G31.8Very low32.3Very low75 Ų75128.2 Ų128.277%0.77379%0.789SS**  trans-152.6111.5169.100000108.9M839M839-G841 PolarHBondContact O-N 3.42Å
842G28.6Very low32.2Very low80 Ų80134.7 Ų134.783%0.82581%0.807SS**  trans-76152-165.100000116.2
843C31.3Very low32.1Very low135 Ų135138.3 Ų138.391%0.91281%0.808SS**  trans-163.3142.4135.9-137.20000109.6
844T32.1Very low32.3Very low119 Ų119146.4 Ų146.473%0.7382%0.823SS**  trans-87.4148.2-16833.80000114.9
845T30.9Very low32.3Very low121 Ų121145.7 Ų145.774%0.74282%0.821SS**  trans66.6130.9142.1550000121.5
846I33.9Very low32.3Very low158 Ų158142.8 Ų142.881%0.8182%0.816SS**  -164136.4108.6-81143.3000108.4
847P34.2Very low32.4Very low116 Ų116146.5 Ų146.575%0.75383%0.825SS**  trans-98.3139.8176.735.5-27.1000112.2
848E36.1Very low32.5Very low190 Ų190145.8 Ų145.889%0.88882%0.819SS**  trans-121.7111165.1-84-178.3166.400109.3
849S32.3Very low32.2Very low102 Ų102146.6 Ų146.671%0.71382%0.819SS**  trans-82.113515648.20000108.4
850D36.4Very low32.3Very low167 Ų167144.1 Ų144.189%0.89382%0.818SS**  trans-145.6131148-95.7-28.3000111
851L34.8Very low32Very low146 Ų146144.7 Ų144.776%0.76482%0.819SS**  trans-79.6143.3-179.4-69.6137.7000110.2
852E34.4Very low32Very low201 Ų201149.4 Ų149.494%0.93982%0.821SS**  trans-136.2102.1142.6-80.9-162.3155.600109.7
853E29.9Very low32Very low174 Ų174153 Ų15381%0.81382%0.82SS**  trans-72.3135.2157.4-72.9178.7142.400109.6
854R34.1Very low32Very low243 Ų243156.5 Ų156.592%0.91782%0.821SS**  trans-141.199.6151.5-101.5-175.6-178.3174.81.9111.3
855S32.7Very low31.7Very low108 Ų108156 Ų15676%0.75582%0.817SS**  51.9112.8129.257.90000120.2
856V29.1Very low31.7Very low132 Ų132157 Ų15780%0.882%0.819SS**  trans-51135152.3175.20000111.8
857E31.3Very low31.6Very low198 Ų198158.9 Ų158.993%0.92582%0.823SS**  trans-139.8136.7148.8-103.7-177.6-179.800110.2
858Q30.3Very low31.3Very low170 Ų170164.2 Ų164.279%0.79483%0.828SS**  trans-77.6170.7-175.6-77167.6-71.800112.9
859D28.9Very low31.1Very low148 Ų148163.1 Ų163.179%0.79182%0.823SS**  trans80.1101.4160.4-64.2-16.9000117.6
860S32Very low31Very low112 Ų112165 Ų16578%0.78382%0.824SS**  177.212996.637.30000111.5E862S860-E862 PolarHBondContact O-N 2.93Å
861T27.7Very low30.8Very low143 Ų143163.8 Ų163.888%0.87782%0.823SS**  trans-45.9115.1160.216.10000111.9
862E31.5Very low30.6Very low174 Ų174161 Ų16181%0.81382%0.822SS**  trans-139.1127.7150.1-78.3-158.9159.600111.8S860S860-E862 PolarHBondContact O-N 2.93Å
863L29Very low30.3Very low155 Ų155161.1 Ų161.181%0.81282%0.822SS**  trans-62.3127.2175.6-69.6119.9000111.4
864F29.7Very low30.4Very low210 Ų210159 Ų15992%0.92182%0.821SS**  trans-108.182.5153.7-88.2-85.4000109.6
865T26.2Very low30.2Very low107 Ų107152.7 Ų152.766%0.65681%0.811SS**  trans-102.8113.5149.535.90000106.4
866N31.3Very low30.2Very low144 Ų144158.7 Ų158.777%0.7782%0.817SS**  trans177.6100.3152-92.1-30.6000110.4
867H31.6Very low30.3Very low197 Ų197157.4 Ų157.491%0.91281%0.812SS**  trans-152.378132.3-93.9-53.4000109
868R28Very low30.2Very low227 Ų227157.1 Ų157.186%0.85781%0.811SS**  trans-84.3124.4149.5-116.6179.4177.1175.6-0.3105.7
869H32.6Very low30.5Very low167 Ų167155.8 Ų155.877%0.77381%0.814SS**  trans-174.8110.6142.4-94.3-58.4000111.7
870L29.1Very low30.7Very low142 Ų142153.2 Ų153.274%0.74381%0.808SS**  66.5109.8129.9-65.3164.4000120.4
871T32.6Very low30.9Very low142 Ų142154 Ų15487%0.87181%0.81SS**  176.396.5116.726.10000108.3
872A31.4Very low31.4Very low88 Ų88155.5 Ų155.573%0.72781%0.812SS**  100.281.510100000112
873E27.2Very low31.7Very low202 Ų202156.5 Ų156.594%0.94482%0.816SS**  trans-65.8127.3152.9-76.4-178.9150.500109
874T31.6Very low31.9Very low131 Ų131152.3 Ų152.380%0.80481%0.811SS**  trans-137.9135.5155.6-18.20000108.2
875P31.4Very low32.4Very low109 Ų109148.9 Ų148.971%0.70881%0.806SS**  trans-103.4173-158.838-30.9000114.1
876R31.7Very low32.9Very low234 Ų234149.3 Ų149.388%0.88381%0.814SS**  trans102.4156156.8-66.4179.2169.8-177.4-3.1117.2
877P31.6Very low33.1Very low106 Ų106154.7 Ų154.769%0.68884%0.835SS**  cis-130.4166.9-12.721.72.1000114.5
878E28.5Very low33.2Very low191 Ų191152.6 Ų152.689%0.89383%0.831SS**  trans-24.6127.3160.6-64.1165.4150.400115.6
879V36.2Very low33.4Very low143 Ų143148.7 Ų148.787%0.86783%0.829SS**  trans-109.1104.6156.1-177.60000107.1
880S33.2Very low33.5Very low94 Ų94147.7 Ų147.766%0.65783%0.832SS**  trans-57.8144.8167.840.30000111.8L882S880-L882 PolarHBondContact O-N 2.79Å
881P37Very low33.8Very low129 Ų129148 Ų14884%0.83884%0.838SS**  trans-76.3124.7178.931.4-30.7000110Q883P881-Q883 PolarHBondContact O-N 3.34Å
882L37.5Very low33.8Very low173 Ų173148.4 Ų148.491%0.90684%0.836SS**  trans-78.9111.9167.2-86.3158.3000108.8S880S880-L882 PolarHBondContact O-N 2.79Å
883Q38Very low34Very low196 Ų196152.4 Ų152.492%0.91684%0.843SS**  trans-58138.8153.2-78.5174.2-39.400109.7P881P881-Q883 PolarHBondContact O-N 3.34Å
884G34.5Very low34.5Very low67 Ų67148.9 Ų148.969%0.69184%0.836SS**  trans170.758.3172.200000112S886G884-S886 PolarHBondContact O-N 2.8Å
885V39Very low34.7Very low137 Ų137150.2 Ų150.283%0.8384%0.838SS**  trans-67.1119.6164.5175.30000107.4
886S36.8Very low35Very low117 Ų117153.7 Ų153.782%0.81885%0.849SS**  trans-129.979.3163.9-460000106.9G884G884-S886 PolarHBondContact O-N 2.8Å
887E35.6Very low35.3Very low257 Ų257146.4 Ų146.4100%1.20185%0.846SS**  trans-160.10139.2-102.5-172.7-179.300107.4

Retrieved 887 of 887 residues in 355.6 ms (Link to these results)

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