G4VPS5_SCHMA Loading...

T-complex protein 1 subunit theta

AlphaFold DB , UniProt , Accession G4VPS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 545 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
1M43.2Very low55.6Low241 Ų241134.8 Ų134.8100%1.18776%0.762SS**  01000-69-178.5-171.900107.4L3M1-L3 PolarHBondContact O-N 3.06Å
2A45.2Very low56.9Low110 Ų110133.7 Ų133.791%0.90975%0.748SS**  trans-71116.7176.600000108.4H4A2-H4 PolarHBondContact O-N 3.13Å
3L43.9Very low58.1Low161 Ų161129.1 Ų129.184%0.84373%0.731SS**  trans-61.5129.6179.6-82.7145.1000110.3M1 I5M1-L3 PolarHBondContact O-N 3.06Å; L3-I5 PolarHBondContact O-N 3.08Å; L3-I5 VanDerWaalsContact O-N 3.09Å
4H51.8Low59.4Low187 Ų187130.5 Ų130.587%0.86673%0.731SS**  trans-64.4104.9173.1-134.3-64.6000108.5A2 P6A2-H4 PolarHBondContact O-N 3.13Å; H4-P6 WeakPolarHBondContact O-CD 3.24Å
5I53.9Low60.7Low144 Ų144125 Ų12574%0.73870%0.699SS**PPolyproline II helixtrans-74.9119.1173.3-57.6168.9000107.1L3 K7L3-I5 PolarHBondContact O-N 3.08Å; L3-I5 VanDerWaalsContact O-N 3.09Å; I5-K7 PolarHBondContact O-N 3.48Å
6P55.5Low61.7Low115 Ų115129.1 Ų129.175%0.74771%0.707SS**PPolyproline II helixtrans-66.5122.1173.526.3-30.4000108.9H4H4-P6 WeakPolarHBondContact O-CD 3.24Å
7K59.4Low62.4Low206 Ų206132.9 Ų132.990%0.89672%0.719SS**PPolyproline II helixtrans-58.8141173-79.3-178.4175.3-179.90109.5I5I5-K7 PolarHBondContact O-N 3.48Å
8A60.4Low63.2Low82 Ų82128.2 Ų128.268%0.67871%0.707SS**PPolyproline II helixtrans-48.1150.2175.800000111.7G10A8-G10 PolarHBondContact O-N 3.44Å
9P60.1Low64.1Low102 Ų102122.5 Ų122.566%0.66268%0.678SS**  trans-57.5109.7-179.427.8-35.8000108.3S13P9-S13 WeakPolarHBondContact CB-OG 3.4Å; P9-S13 PolarHBondContact O-OG 3.08Å
10G66.7Low64.9Low45 Ų45124.3 Ų124.346%0.46467%0.674SS.*  trans-62.4167-171.300000111.9A8 M12 S13A8-G10 PolarHBondContact O-N 3.44Å; G10-M12 PolarHBondContact O-N 2.65Å; G10-S13 WeakPolarHBondContact O-CB 3.48Å; G10-S13 PolarHBondContact O-N 3.22Å; G10-S13 PolarHBondContact O-OG 2.86Å
11F71.6Confident65.8Low90 Ų90120.1 Ų120.140%0.39565%0.649SS.*G310 helixtrans-45.1-33.4-179.4-177.1-108000113.9S13 M14 L15 Y21 I526F11-S13 VanDerWaalsContact C-N 3.26Å; F11-S13 PolarHBondContact O-N 3.07Å; F11-M14 WeakPolarHBondContact O-CB 3.48Å; F11-M14 PolarHBondContact O-N 3.44Å; F11-L15 HydrophobicContact CD1-CD1 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.98Å; F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 HydrophobicContact CE1-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD2 4.38Å; F11-Y21 HydrophobicContact CD1-CD1 4.01Å; F11-Y21 AromaticContact CD1-CD2 3.66Å; F11-Y21 HydrophobicContact CD1-CD2 3.66Å; F11-Y21 AromaticContact CD1-CE1 3.96Å; F11-Y21 HydrophobicContact CD1-CE1 3.96Å; F11-Y21 AromaticContact CD1-CE2 3.6Å; F11-Y21 HydrophobicContact CD1-CE2 3.6Å; F11-Y21 AromaticContact CD1-CG 3.84Å; F11-Y21 HydrophobicContact CD1-CG 3.84Å; F11-Y21 AromaticContact CD1-CZ 3.75Å; F11-Y21 AromaticContact CE1-CD2 3.57Å; F11-Y21 HydrophobicContact CE1-CD2 3.57Å; F11-Y21 AromaticContact CE1-CE2 3.52Å; F11-Y21 HydrophobicContact CE1-CE2 3.52Å; F11-Y21 HydrophobicContact CE1-CG 4.18Å; F11-I526 HydrophobicContact CE1-CD1 4.19Å; F11-I526 HydrophobicContact CE1-CG1 4.47Å; F11-I526 HydrophobicContact CZ-CD1 4.24Å
12M71Confident67.6Low121 Ų121110 Ų11060%0.59660%0.598SS**G310 helixtrans-55-33.1173-76.6-169.46300115.1G10 M14 L15G10-M12 PolarHBondContact O-N 2.65Å; M12-M14 PolarHBondContact O-N 3.04Å; M12-L15 PolarHBondContact O-N 3.45Å
13S73Confident69.4Low74 Ų74109.8 Ų109.852%0.51758%0.578SS.*G310 helixtrans-69-17.1178.466.60000113.8P9 G10 F11P9-S13 WeakPolarHBondContact CB-OG 3.4Å; P9-S13 PolarHBondContact O-OG 3.08Å; G10-S13 WeakPolarHBondContact O-CB 3.48Å; G10-S13 PolarHBondContact O-N 3.22Å; G10-S13 PolarHBondContact O-OG 2.86Å; F11-S13 VanDerWaalsContact C-N 3.26Å; F11-S13 PolarHBondContact O-N 3.07Å
14M76.4Confident71.1Confident149 Ų149103.8 Ų103.873%0.73456%0.555SS**G310 helixtrans-89.5-11.4176.4-59.1-177.1179.400112.5F11 M12F11-M14 WeakPolarHBondContact O-CB 3.48Å; F11-M14 PolarHBondContact O-N 3.44Å; M12-M14 PolarHBondContact O-N 3.04Å
15L77.5Confident72.3Confident48 Ų4899.3 Ų99.325%0.25154%0.537SS..SBendtrans-93.3156.4-178-60.1177.3000111.1F11 M12 A19 I526F11-L15 HydrophobicContact CD1-CD1 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.98Å; F11-L15 HydrophobicContact CE1-CD2 4.29Å; F11-L15 HydrophobicContact CE1-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD2 4.38Å; M12-L15 PolarHBondContact O-N 3.45Å; L15-A19 HydrophobicContact CB-CB 3.78Å; L15-A19 HydrophobicContact CD1-CB 4.09Å; L15-I526 HydrophobicContact CD1-CG2 4.44Å
16K78Confident73.3Confident190 Ų190100 Ų10083%0.82654%0.537SS*.PPolyproline II helixtrans-58.6146.3173.3-71.3-175.5178-179.80110.7G18 A19K16-G18 PolarHBondContact O-N 3.19Å; K16-A19 WeakPolarHBondContact O-CB 3.39Å; K16-A19 PolarHBondContact O-N 3.33Å
17E73.6Confident74.2Confident194 Ų194100.1 Ų100.191%0.90753%0.528SS*.THydrogen-bonded Turntrans-51.9126.9176.8-68.2-174.5171.900111.5
18G76.2Confident75.3Confident49 Ų4990.3 Ų90.351%0.50549%0.485SS..THydrogen-bonded Turntrans89.32.2-179.200000115.7K16K16-G18 PolarHBondContact O-N 3.19Å
19A80.4Confident76.6Confident19 Ų1986.6 Ų86.616%0.15745%0.454CS..  trans-67.7140167.800000111.1L15 K16 M527L15-A19 HydrophobicContact CB-CB 3.78Å; L15-A19 HydrophobicContact CD1-CB 4.09Å; K16-A19 WeakPolarHBondContact O-CB 3.39Å; K16-A19 PolarHBondContact O-N 3.33Å; A19-M527 WeakPolarHBondContact CA-O 3.42Å
20R80.3Confident78.1Confident158 Ų15883.8 Ų83.860%0.59643%0.43SS*.EExtended strand (participates in β ladder)trans-107.2134.4172-62.9-178.5178.2179.1-2.3109F22 M527R20-F22 HydrophobicContact CB-CE2 3.66Å; R20-F22 HydrophobicContact CB-CZ 4Å; R20-M527 HydrophobicContact CB-CB 4.44Å; R20-M527 PolarHBondContact N-O 3.35Å; R20-M527 PolarHBondContact O-N 3.48Å
21Y83Confident79.2Confident38 Ų3886.9 Ų86.915%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-122.8124.9178.7174.1-110.5000108.3F11 E23 Q524 I526F11-Y21 HydrophobicContact CD1-CD1 4.01Å; F11-Y21 AromaticContact CD1-CD2 3.66Å; F11-Y21 HydrophobicContact CD1-CD2 3.66Å; F11-Y21 AromaticContact CD1-CE1 3.96Å; F11-Y21 HydrophobicContact CD1-CE1 3.96Å; F11-Y21 AromaticContact CD1-CE2 3.6Å; F11-Y21 HydrophobicContact CD1-CE2 3.6Å; F11-Y21 AromaticContact CD1-CG 3.84Å; F11-Y21 HydrophobicContact CD1-CG 3.84Å; F11-Y21 AromaticContact CD1-CZ 3.75Å; F11-Y21 AromaticContact CE1-CD2 3.57Å; F11-Y21 HydrophobicContact CE1-CD2 3.57Å; F11-Y21 AromaticContact CE1-CE2 3.52Å; F11-Y21 HydrophobicContact CE1-CE2 3.52Å; F11-Y21 HydrophobicContact CE1-CG 4.18Å; Y21-E23 HydrophobicContact CD1-CB 4.44Å; Y21-E23 HydrophobicContact CE1-CB 3.61Å; Y21-E23 HydrophobicContact CE1-CG 4.39Å; Y21-E23 WeakPolarHBondContact CE1-OE2 3.44Å; Y21-E23 VanDerWaalsContact CZ-OE2 3.32Å; Y21-E23 PolarHBondContact OH-OE2 3.01Å; Y21-Q524 HydrophobicContact CE2-CB 4.18Å; Y21-Q524 HydrophobicContact CE2-CG 4.18Å; Y21-Q524 PolarHBondContact OH-NE2 3.42Å; Y21-Q524 PolarHBondContact OH-OE1 3.05Å; Y21-I526 HydrophobicContact CD2-CG1 3.9Å; Y21-I526 HydrophobicContact CE2-CG1 4.38Å
22F82.5Confident80.2Confident29 Ų2982.7 Ų82.713%0.12741%0.41CS..EExtended strand (participates in β ladder)trans-117.4129.5175.4-59.2-77.6000107.9R20 Q524 I525 M527R20-F22 HydrophobicContact CB-CE2 3.66Å; R20-F22 HydrophobicContact CB-CZ 4Å; F22-Q524 WeakPolarHBondContact O-CA 3.35Å; F22-I525 HydrophobicContact CB-CB 4.44Å; F22-I525 HydrophobicContact CD2-CB 4.42Å; F22-I525 HydrophobicContact CD2-CG2 4.47Å; F22-I525 PolarHBondContact N-O 3.38Å; F22-I525 PolarHBondContact O-N 3.05Å; F22-M527 HydrophobicContact CD2-CE 3.91Å; F22-M527 HydrophobicContact CE2-CE 3.23Å; F22-M527 HydrophobicContact CZ-CE 4.12Å
23E82.9Confident81.3Confident105 Ų10576.9 Ų76.949%0.49138%0.381SS..EExtended strand (participates in β ladder)trans-133.6147-177.6-179.3172.9-172.500111.2Y21 Q524Y21-E23 HydrophobicContact CD1-CB 4.44Å; Y21-E23 HydrophobicContact CE1-CB 3.61Å; Y21-E23 HydrophobicContact CE1-CG 4.39Å; Y21-E23 WeakPolarHBondContact CE1-OE2 3.44Å; Y21-E23 VanDerWaalsContact CZ-OE2 3.32Å; Y21-E23 PolarHBondContact OH-OE2 3.01Å; E23-Q524 HydrophobicContact CB-CG 4.43Å; E23-Q524 HydrophobicContact CG-CG 4.17Å
24G78.5Confident82.2Confident34 Ų3478.9 Ų78.935%0.35138%0.382SS..Hα-helixtrans91.9172.5169.500000113.8E26 S28G24-E26 VanDerWaalsContact C-N 3.32Å; G24-E26 PolarHBondContact O-N 3.33Å; G24-S28 WeakPolarHBondContact O-CB 3.47Å; G24-S28 PolarHBondContact O-N 3Å; G24-S28 VanDerWaalsContact O-N 3.09Å
25L77.8Confident83Confident93 Ų9372.9 Ų72.949%0.48736%0.357SS..Iπ-helixtrans-63.3-39.4-175.8-65.8173000112V29 Y30 V125L25-V29 HydrophobicContact CD2-CG2 4.07Å; L25-V29 WeakPolarHBondContact O-CB 3.49Å; L25-V29 PolarHBondContact O-N 2.68Å; L25-Y30 WeakPolarHBondContact O-CD2 3.5Å; L25-Y30 PolarHBondContact O-N 2.92Å; L25-V125 HydrophobicContact CD2-CG2 3.93Å
26E75.5Confident83.7Confident160 Ų16070.6 Ų70.675%0.74835%0.345SS*.Iπ-helixtrans-74.1-53.1-175.5-67.2-171.3169.400113.2G24 Y30G24-E26 VanDerWaalsContact C-N 3.32Å; G24-E26 PolarHBondContact O-N 3.33Å; E26-Y30 HydrophobicContact CG-CD2 4.34Å; E26-Y30 HydrophobicContact CG-CE2 4.37Å
27E74.4Confident84.5Confident116 Ų11662 Ų6254%0.54231%0.308SS..Iπ-helixtrans-80.8-30.3-174.5-64-165.9160.600113.7R31E27-R31 WeakPolarHBondContact O-CB 3.41Å; E27-R31 WeakPolarHBondContact O-CD 3.26Å
28S82.5Confident85.4Confident0 Ų055.9 Ų55.90%029%0.29CS..Iπ-helixtrans-95.8-66.7-179.3-173.90000110.9G24 R31 N32 D523G24-S28 WeakPolarHBondContact O-CB 3.47Å; G24-S28 PolarHBondContact O-N 3Å; G24-S28 VanDerWaalsContact O-N 3.09Å; S28-R31 PolarHBondContact O-N 3.35Å; S28-N32 WeakPolarHBondContact O-CB 3.26Å; S28-N32 PolarHBondContact O-N 3.31Å; S28-N32 PolarHBondContact O-ND2 3.03Å; S28-N32 VanDerWaalsContact O-ND2 3.11Å; S28-N32 PolarHBondContact O-OD1 3.5Å; S28-N32 PolarHBondContact OG-ND2 2.78Å; S28-D523 WeakPolarHBondContact CB-O 3.18Å; S28-D523 PolarHBondContact OG-O 3.36Å
29V87.6Confident86.2Confident4 Ų454.6 Ų54.62%0.02427%0.271CS..Iπ-helixtrans-66.4-49.7-167.2-176.80000112.2L25 R31 N32 I33 L119 L520L25-V29 HydrophobicContact CD2-CG2 4.07Å; L25-V29 WeakPolarHBondContact O-CB 3.49Å; L25-V29 PolarHBondContact O-N 2.68Å; V29-R31 VanDerWaalsContact C-N 3.35Å; V29-R31 PolarHBondContact O-N 3.2Å; V29-N32 WeakPolarHBondContact O-CB 3.17Å; V29-N32 PolarHBondContact O-N 2.92Å; V29-I33 HydrophobicContact CG1-CD1 3.92Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.43Å; V29-I33 PolarHBondContact O-N 3.23Å; V29-L119 HydrophobicContact CG1-CD1 3.64Å; V29-L520 HydrophobicContact CG1-CD2 4.36Å
30Y91.2Very high86.7Confident44 Ų4453.8 Ų53.817%0.17326%0.264CS..Iπ-helixtrans-64.5-39.8178.7-69.6-48.4000112.3L25 E26 N32 I33 E34 R116 L119 R120L25-Y30 WeakPolarHBondContact O-CD2 3.5Å; L25-Y30 PolarHBondContact O-N 2.92Å; E26-Y30 HydrophobicContact CG-CD2 4.34Å; E26-Y30 HydrophobicContact CG-CE2 4.37Å; Y30-N32 VanDerWaalsContact C-N 3.33Å; Y30-N32 PolarHBondContact O-N 3.16Å; Y30-I33 PolarHBondContact O-N 3.36Å; Y30-E34 WeakPolarHBondContact O-CB 3.47Å; Y30-E34 WeakPolarHBondContact O-CG 3.43Å; Y30-E34 PolarHBondContact O-N 2.82Å; Y30-R116 HydrophobicContact CD1-CG 3.81Å; Y30-R116 HydrophobicContact CE1-CG 3.73Å; Y30-L119 HydrophobicContact CE1-CB 4.21Å; Y30-R120 HydrophobicContact CE1-CG 4.28Å; Y30-R120 WeakPolarHBondContact OH-CG 3.32Å; Y30-R120 PolarHBondContact OH-N 2.88Å
31R90.2Very high87.3Confident109 Ų10952 Ų5241%0.41126%0.261SS..Hα-helixtrans-62.3-40.5175.7-171.8178.7-177.2160.85.5112.5E27 S28 V29 E34 A35E27-R31 WeakPolarHBondContact O-CB 3.41Å; E27-R31 WeakPolarHBondContact O-CD 3.26Å; S28-R31 PolarHBondContact O-N 3.35Å; V29-R31 VanDerWaalsContact C-N 3.35Å; V29-R31 PolarHBondContact O-N 3.2Å; R31-E34 PolarHBondContact O-N 3.28Å; R31-A35 WeakPolarHBondContact O-CB 3.24Å; R31-A35 PolarHBondContact O-N 3.03Å
32N92.3Very high87.6Confident2 Ų252.9 Ų52.91%0.01127%0.272CS..Hα-helixtrans-62.1-45.9175.8-67.2-21.1000111.1S28 V29 Y30 A35 C36 H80 A82 I519 I525S28-N32 WeakPolarHBondContact O-CB 3.26Å; S28-N32 PolarHBondContact O-N 3.31Å; S28-N32 PolarHBondContact O-ND2 3.03Å; S28-N32 VanDerWaalsContact O-ND2 3.11Å; S28-N32 PolarHBondContact O-OD1 3.5Å; S28-N32 PolarHBondContact OG-ND2 2.78Å; V29-N32 WeakPolarHBondContact O-CB 3.17Å; V29-N32 PolarHBondContact O-N 2.92Å; Y30-N32 VanDerWaalsContact C-N 3.33Å; Y30-N32 PolarHBondContact O-N 3.16Å; N32-A35 PolarHBondContact O-N 2.87Å; N32-C36 PolarHBondContact O-N 3.28Å; N32-C36 VanDerWaalsContact O-N 3.08Å; N32-C36 PolarHBondContact O-SG 2.9Å; N32-H80 PolarHBondContact OD1-CE1 3.25Å; N32-H80 VanDerWaalsContact OD1-CE1 3.22Å; N32-A82 HydrophobicContact CB-CB 3.78Å; N32-I519 HydrophobicContact CB-CG2 4.2Å; N32-I525 WeakPolarHBondContact OD1-CD1 3.22Å
33I93.1Very high88.1Confident0 Ų051.5 Ų51.50%027%0.266CS..Hα-helixtrans-61.3-49.1176.6-68.1166.9000109.8V29 Y30 A35 C36 L37 L112 R116 L119 L520V29-I33 HydrophobicContact CG1-CD1 3.92Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.43Å; V29-I33 PolarHBondContact O-N 3.23Å; Y30-I33 PolarHBondContact O-N 3.36Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.44Å; I33-C36 PolarHBondContact O-N 2.98Å; I33-C36 VanDerWaalsContact O-N 3.12Å; I33-L37 HydrophobicContact CG2-CD1 3.64Å; I33-L37 HydrophobicContact CG2-CG 3.97Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.48Å; I33-L112 HydrophobicContact CG1-CB 4.32Å; I33-L112 HydrophobicContact CG1-CD2 4.29Å; I33-L112 HydrophobicContact CG2-CB 4.13Å; I33-L112 WeakPolarHBondContact CG2-O 3.44Å; I33-R116 HydrophobicContact CD1-CB 4.22Å; I33-R116 HydrophobicContact CG2-CB 4.3Å; I33-L119 HydrophobicContact CD1-CD1 4.26Å; I33-L520 HydrophobicContact CD1-CD2 4.16Å
34E92.9Very high88.5Confident116 Ų11648.9 Ų48.954%0.54225%0.252SS..Hα-helixtrans-58.1-43.3179.3-76.1178.4-178.900112.8Y30 R31 C36 L37 A38Y30-E34 WeakPolarHBondContact O-CB 3.47Å; Y30-E34 WeakPolarHBondContact O-CG 3.43Å; Y30-E34 PolarHBondContact O-N 2.82Å; R31-E34 PolarHBondContact O-N 3.28Å; E34-C36 VanDerWaalsContact C-N 3.35Å; E34-C36 PolarHBondContact O-N 2.84Å; E34-L37 PolarHBondContact O-N 3.2Å; E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.08Å
35A92.4Very high89.2Confident23 Ų2348.5 Ų48.519%0.1924%0.244CC..Hα-helixtrans-61.7-42.2175.700000112.1R31 N32 I33 L39 H80R31-A35 WeakPolarHBondContact O-CB 3.24Å; R31-A35 PolarHBondContact O-N 3.03Å; N32-A35 PolarHBondContact O-N 2.87Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.44Å; A35-L39 PolarHBondContact O-N 2.77Å; A35-H80 HydrophobicContact CB-CB 4.33Å
36C93.7Very high89.8Confident0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-69-38.6177.3-63.60000112.1N32 I33 E34 L39 S40 L86 L112N32-C36 PolarHBondContact O-N 3.28Å; N32-C36 VanDerWaalsContact O-N 3.08Å; N32-C36 PolarHBondContact O-SG 2.9Å; I33-C36 PolarHBondContact O-N 2.98Å; I33-C36 VanDerWaalsContact O-N 3.12Å; E34-C36 VanDerWaalsContact C-N 3.35Å; E34-C36 PolarHBondContact O-N 2.84Å; C36-L39 PolarHBondContact O-N 3.13Å; C36-S40 WeakPolarHBondContact O-CB 3.41Å; C36-S40 PolarHBondContact O-N 3.14Å; C36-L86 HydrophobicContact CB-CD1 3.93Å; C36-L112 HydrophobicContact CB-CD1 3.55Å
37L93.6Very high90.5Very high10 Ų1037.6 Ų37.65%0.05219%0.19CC..Hα-helixtrans-65.6-39.7176.1-69.6177.2000111.8I33 E34 L39 S40 K41 G109 E113I33-L37 HydrophobicContact CG2-CD1 3.64Å; I33-L37 HydrophobicContact CG2-CG 3.97Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 VanDerWaalsContact O-CG 3.25Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 3.48Å; E34-L37 PolarHBondContact O-N 3.2Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-S40 PolarHBondContact O-N 3.31Å; L37-K41 WeakPolarHBondContact O-CB 3.37Å; L37-K41 VanDerWaalsContact O-CG 3.27Å; L37-K41 WeakPolarHBondContact O-CG 3.35Å; L37-K41 PolarHBondContact O-N 2.75Å; L37-G109 WeakPolarHBondContact CD2-O 3.27Å; L37-E113 HydrophobicContact CD1-CB 4.45Å; L37-E113 HydrophobicContact CD2-CB 3.77Å; L37-E113 HydrophobicContact CD2-CG 4.49Å
38A92.8Very high91.1Very high64 Ų6432.5 Ų32.553%0.52917%0.169SC..Hα-helixtrans-61.1-44.1175.400000111.3E34 S42E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.08Å; A38-S42 PolarHBondContact O-N 2.92Å
39L92.1Very high91.3Very high23 Ų2334.2 Ų34.212%0.1218%0.18CC..Hα-helixtrans-67.1-43.5177.2-171.362.6000112A35 C36 L37 S42 I43 L73 A83 V87 F105A35-L39 PolarHBondContact O-N 2.77Å; C36-L39 PolarHBondContact O-N 3.13Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L39-S42 WeakPolarHBondContact O-CB 3.24Å; L39-S42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CD1-CD1 4.31Å; L39-I43 HydrophobicContact CG-CD1 4.21Å; L39-I43 PolarHBondContact O-N 3.43Å; L39-I43 VanDerWaalsContact O-N 3.16Å; L39-L73 HydrophobicContact CD1-CD2 4.1Å; L39-L73 HydrophobicContact CD2-CD2 4.13Å; L39-L73 HydrophobicContact CG-CD2 4.33Å; L39-A83 HydrophobicContact CD2-CB 4.05Å; L39-V87 HydrophobicContact CD2-CG2 4.1Å; L39-F105 HydrophobicContact CD2-CE1 3.78Å; L39-F105 HydrophobicContact CD2-CZ 4.4Å; L39-F105 HydrophobicContact CG-CE1 4.02Å
40S92.2Very high91.2Very high1 Ų136.3 Ų36.31%0.00720%0.195CC..Hα-helixtrans-61.5-43.5176.8-179.40000112.2C36 L37 S42 I43 R44 F105 Q106C36-S40 WeakPolarHBondContact O-CB 3.41Å; C36-S40 PolarHBondContact O-N 3.14Å; L37-S40 PolarHBondContact O-N 3.31Å; S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.36Å; S40-I43 PolarHBondContact O-N 2.96Å; S40-R44 WeakPolarHBondContact O-CB 3.48Å; S40-R44 PolarHBondContact O-N 3.29Å; S40-F105 PolarHBondContact OG-O 2.88Å; S40-Q106 PolarHBondContact O-NE2 3.43Å; S40-Q106 VanDerWaalsContact O-NE2 3.11Å
41K91.4Very high91Very high122 Ų12235 Ų3553%0.5320%0.195SC..Hα-helixtrans-61.9-39.2174.1-76.9177.4-179-1780112.3L37 I43 R44L37-K41 WeakPolarHBondContact O-CB 3.37Å; L37-K41 VanDerWaalsContact O-CG 3.27Å; L37-K41 WeakPolarHBondContact O-CG 3.35Å; L37-K41 PolarHBondContact O-N 2.75Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 2.99Å; K41-R44 WeakPolarHBondContact O-CB 3.09Å; K41-R44 PolarHBondContact O-N 2.98Å
42S90.8Very high91Very high55 Ų5536.1 Ų36.139%0.38521%0.205SC..Hα-helixtrans-58.6-47175.4-176.30000110.5A38 L39 S40 K54A38-S42 PolarHBondContact O-N 2.92Å; L39-S42 WeakPolarHBondContact O-CB 3.24Å; L39-S42 PolarHBondContact O-N 3.24Å; S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.36Å; S42-K54 WeakPolarHBondContact O-CE 3.48Å; S42-K54 PolarHBondContact O-NZ 2.97Å
43I92.2Very high90.9Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-79.6-21.6-174.9-65.5163.8000112.6L39 S40 K41 S45 T46 A69 L73 N102 F105L39-I43 HydrophobicContact CD1-CD1 4.31Å; L39-I43 HydrophobicContact CG-CD1 4.21Å; L39-I43 PolarHBondContact O-N 3.43Å; L39-I43 VanDerWaalsContact O-N 3.16Å; S40-I43 PolarHBondContact O-N 2.96Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-I43 PolarHBondContact O-N 2.99Å; I43-S45 PolarHBondContact O-N 3.36Å; I43-T46 PolarHBondContact O-N 2.87Å; I43-T46 PolarHBondContact O-OG1 2.8Å; I43-A69 HydrophobicContact CG2-CB 3.68Å; I43-L73 HydrophobicContact CD1-CD1 3.94Å; I43-L73 HydrophobicContact CD1-CD2 3.39Å; I43-L73 HydrophobicContact CD1-CG 3.74Å; I43-N102 WeakPolarHBondContact CG2-OD1 3.46Å; I43-F105 HydrophobicContact CD1-CD1 3.47Å; I43-F105 VanDerWaalsContact CD1-CD1 3.47Å; I43-F105 HydrophobicContact CD1-CE1 3.55Å; I43-F105 HydrophobicContact CD1-CG 4.29Å; I43-F105 HydrophobicContact CD1-CZ 4.48Å
44R91.6Very high90.8Very high50 Ų5042.1 Ų42.119%0.18924%0.235CC..Hα-helixtrans-47.7-40.4-178.1-173.2176.5-65.7177.70.8114.5S40 K41 T46 F47 V451 E454 N455S40-R44 WeakPolarHBondContact O-CB 3.48Å; S40-R44 PolarHBondContact O-N 3.29Å; K41-R44 WeakPolarHBondContact O-CB 3.09Å; K41-R44 PolarHBondContact O-N 2.98Å; R44-T46 PolarHBondContact O-N 3.43Å; R44-T46 VanDerWaalsContact O-N 3.14Å; R44-F47 PolarHBondContact O-N 3.39Å; R44-V451 HydrophobicContact CG-CB 4.14Å; R44-V451 HydrophobicContact CG-CG1 3.46Å; R44-V451 VanDerWaalsContact CG-CG1 3.46Å; R44-V451 HydrophobicContact CG-CG2 3.53Å; R44-V451 VanDerWaalsContact O-CG1 3.25Å; R44-V451 WeakPolarHBondContact O-CG1 3.29Å; R44-E454 WeakPolarHBondContact CD-OE2 3.36Å; R44-E454 IonicContact NH1-OE2 2.87Å; R44-N455 PolarHBondContact O-ND2 3.18Å
45S92.2Very high90.8Very high26 Ų2642.3 Ų42.318%0.18224%0.238CC..THydrogen-bonded Turntrans-65.3-15.7-178.374.10000114I43 G51 Q52 K54I43-S45 PolarHBondContact O-N 3.36Å; S45-G51 CarbonylContact O-C 3.54Å; S45-G51 WeakPolarHBondContact O-CA 3.47Å; S45-Q52 PolarHBondContact O-N 3.48Å; S45-K54 PolarHBondContact OG-NZ 3.44Å
46T91.5Very high90.8Very high2 Ų241.8 Ų41.81%0.01223%0.233CC..THydrogen-bonded Turntrans-93.5-4-176.9700000113.2I43 R44 Q52 K54 N67 I72 N102I43-T46 PolarHBondContact O-N 2.87Å; I43-T46 PolarHBondContact O-OG1 2.8Å; R44-T46 PolarHBondContact O-N 3.43Å; R44-T46 VanDerWaalsContact O-N 3.14Å; T46-Q52 VanDerWaalsContact CG2-O 3.31Å; T46-Q52 WeakPolarHBondContact CG2-O 3.29Å; T46-K54 HydrophobicContact CG2-CD 4.13Å; T46-K54 HydrophobicContact CG2-CG 3.88Å; T46-N67 WeakPolarHBondContact CB-O 3.14Å; T46-N67 PolarHBondContact OG1-O 3.29Å; T46-I72 HydrophobicContact CG2-CD1 3.81Å; T46-N102 PolarHBondContact OG1-OD1 3.02Å
47F91Very high90.7Very high22 Ų2247.4 Ų47.410%0.09626%0.262CS..  trans-81.1132.3-174-177-116.7000113.2R44 N102 V103 A448 V451 L452 N455R44-F47 PolarHBondContact O-N 3.39Å; F47-N102 HydrophobicContact CD2-CB 3.66Å; F47-N102 HydrophobicContact CE2-CB 4.28Å; F47-V103 HydrophobicContact CE2-CG2 3.66Å; F47-V103 HydrophobicContact CZ-CG2 4.08Å; F47-A448 HydrophobicContact CE1-CB 4.41Å; F47-A448 WeakPolarHBondContact CE1-O 3.38Å; F47-V451 HydrophobicContact CB-CG1 3.71Å; F47-V451 HydrophobicContact CD1-CB 3.94Å; F47-V451 HydrophobicContact CD1-CG1 3.67Å; F47-V451 HydrophobicContact CG-CG1 4.12Å; F47-L452 HydrophobicContact CD1-CD2 3.95Å; F47-L452 HydrophobicContact CD1-CG 4.03Å; F47-L452 HydrophobicContact CE1-CD1 4.22Å; F47-L452 HydrophobicContact CE1-CD2 3.84Å; F47-L452 HydrophobicContact CE1-CG 3.66Å; F47-N455 PolarHBondContact O-ND2 2.87Å
48G87Confident90.4Very high10 Ų1047.8 Ų47.810%0.10326%0.264CS..SBendtrans84.9176.5175.100000114.3S50 G51 S170G48-S50 PolarHBondContact O-N 2.76Å; G48-G51 WeakPolarHBondContact O-CA 3.41Å; G48-G51 PolarHBondContact O-N 2.93Å; G48-S170 CarbonylContact C-O 3.4Å
49P85.7Confident90.3Very high35 Ų3551.8 Ų51.823%0.22727%0.271CS..THydrogen-bonded Turntrans-64.1-27.1-173.826.1-35.3000113.5G51 V173 T482P49-G51 VanDerWaalsContact C-N 3.26Å; P49-V173 HydrophobicContact CB-CG2 3.64Å; P49-V173 WeakPolarHBondContact O-CG2 3.21Å; P49-T482 HydrophobicContact CG-CG2 4.37Å
50S86.5Confident90.2Very high48 Ų4855.3 Ų55.334%0.33629%0.293SS..THydrogen-bonded Turntrans-91.417.2174.1-53.80000112.6G48G48-S50 PolarHBondContact O-N 2.76Å
51G86.8Confident90.1Very high17 Ų1757.9 Ų57.918%0.17532%0.32CS..PPolyproline II helixtrans-64.2136.6178.200000112.1S45 G48 P49S45-G51 CarbonylContact O-C 3.54Å; S45-G51 WeakPolarHBondContact O-CA 3.47Å; G48-G51 WeakPolarHBondContact O-CA 3.41Å; G48-G51 PolarHBondContact O-N 2.93Å; P49-G51 VanDerWaalsContact C-N 3.26Å
52Q90Very high89.9Confident133 Ų13360 Ų6062%0.62133%0.325SS*.PPolyproline II helixtrans-84135.7176.4-63.4-177.6-0.800110.8S45 T46S45-Q52 PolarHBondContact O-N 3.48Å; T46-Q52 VanDerWaalsContact CG2-O 3.31Å; T46-Q52 WeakPolarHBondContact CG2-O 3.29Å
53N90.3Very high89.9Confident82 Ų8261.1 Ų61.144%0.43933%0.326SS..PPolyproline II helixtrans-69145.1173.8-67.2-22.3000111.2V65 T66 N67N53-V65 HydrophobicContact CB-CG1 3.9Å; N53-T66 WeakPolarHBondContact CA-O 3.48Å; N53-N67 WeakPolarHBondContact OD1-CB 3.39Å; N53-N67 PolarHBondContact OD1-N 3.42Å
54K91.3Very high89.7Confident45 Ų4562.4 Ų62.420%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-105.9141.6169.3-63.4-165.9-171.3-64.50110.4S42 S45 T46 V56 V65 T66 I72S42-K54 WeakPolarHBondContact O-CE 3.48Å; S42-K54 PolarHBondContact O-NZ 2.97Å; S45-K54 PolarHBondContact OG-NZ 3.44Å; T46-K54 HydrophobicContact CG2-CD 4.13Å; T46-K54 HydrophobicContact CG2-CG 3.88Å; K54-V56 HydrophobicContact CB-CG2 4.45Å; K54-V65 WeakPolarHBondContact O-CA 3.38Å; K54-T66 PolarHBondContact N-O 3.29Å; K54-T66 PolarHBondContact O-N 3.11Å; K54-T66 VanDerWaalsContact O-N 3.11Å; K54-I72 HydrophobicContact CB-CD1 4.1Å; K54-I72 HydrophobicContact CB-CG1 4.48Å; K54-I72 HydrophobicContact CD-CD1 4.06Å; K54-I72 HydrophobicContact CD-CG2 4.45Å; K54-I72 HydrophobicContact CG-CD1 4.18Å
55I92.4Very high89.7Confident120 Ų12061.9 Ų61.962%0.61533%0.334SS*.EExtended strand (participates in β ladder)trans-91.5115.6169-58.4178.9000107.1L63 F64 V65I55-L63 HydrophobicContact CG2-CD1 3.31Å; I55-L63 HydrophobicContact CG2-CG 4.28Å; I55-F64 CarbonylContact C-O 3.52Å; I55-F64 WeakPolarHBondContact CA-O 3.23Å; I55-V65 HydrophobicContact CG1-CG2 4.28Å
56V91Very high89.5Confident13 Ų1360.7 Ų60.78%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-113.5122.1176.9-173.80000108.4K54 F64 I72 E75K54-V56 HydrophobicContact CB-CG2 4.45Å; V56-F64 PolarHBondContact N-O 2.95Å; V56-F64 PolarHBondContact O-N 3.49Å; V56-I72 HydrophobicContact CG2-CG1 4.19Å; V56-I72 HydrophobicContact CG2-CG2 4.22Å; V56-E75 HydrophobicContact CG1-CB 3.68Å
57I91.7Very high89.3Confident117 Ų11760.9 Ų60.960%0.633%0.327SS*.EExtended strand (participates in β ladder)trans-104.5117.3172.4-58.8170.1000106.4R62 L63I57-R62 WeakPolarHBondContact CA-O 3.49Å; I57-L63 HydrophobicContact CD1-CD1 4.29Å; I57-L63 HydrophobicContact CG1-CD1 3.73Å
58N88.9Confident89.1Confident18 Ų1860.1 Ų60.110%0.09632%0.324CS..  trans-79.1174.7-179763.7000112.1V60 G61 R62 F64 E75N58-V60 PolarHBondContact O-N 3.38Å; N58-V60 VanDerWaalsContact O-N 3.1Å; N58-V60 WeakPolarHBondContact OD1-CA 3.38Å; N58-V60 WeakPolarHBondContact OD1-CB 3.42Å; N58-V60 PolarHBondContact OD1-N 3.31Å; N58-G61 PolarHBondContact O-N 3.14Å; N58-G61 PolarHBondContact OD1-N 3.45Å; N58-R62 PolarHBondContact N-O 2.97Å; N58-R62 PolarHBondContact OD1-N 3.4Å; N58-F64 HydrophobicContact CB-CE2 4.43Å; N58-E75 WeakPolarHBondContact CB-OE2 3.47Å; N58-E75 PolarHBondContact ND2-OE2 3.4Å
59H88.9Confident89.3Confident148 Ų14859.7 Ų59.769%0.68532%0.319SS*.THydrogen-bonded Turntrans-62.2-16.7179.662.3-86.3000114.3E77H59-E77 WeakPolarHBondContact CB-OE1 3.49Å; H59-E77 IonicContact CG-OE1 3.61Å
60V91.5Very high89.4Confident97 Ų9758.1 Ų58.159%0.58831%0.309SS*.THydrogen-bonded Turntrans-90.8-7.6175.8-170.40000111.6N58N58-V60 PolarHBondContact O-N 3.38Å; N58-V60 VanDerWaalsContact O-N 3.1Å; N58-V60 WeakPolarHBondContact OD1-CA 3.38Å; N58-V60 WeakPolarHBondContact OD1-CB 3.42Å; N58-V60 PolarHBondContact OD1-N 3.31Å
61G88.8Confident89.5Confident55 Ų5556.6 Ų56.657%0.56730%0.298SS*.  trans8313.1-176.200000114.4N58N58-G61 PolarHBondContact O-N 3.14Å; N58-G61 PolarHBondContact OD1-N 3.45Å
62R88.2Confident89.7Confident166 Ų16655.9 Ų55.963%0.62629%0.29SS*.  trans-75.8135.4170.7-64.3-172.3177.3-175.8-1.9110I57 N58 F64I57-R62 WeakPolarHBondContact CA-O 3.49Å; N58-R62 PolarHBondContact N-O 2.97Å; N58-R62 PolarHBondContact OD1-N 3.4Å; R62-F64 HydrophobicContact CB-CE2 4.08Å; R62-F64 HydrophobicContact CB-CZ 4.31Å
63L90.9Very high89.8Confident79 Ų7949.8 Ų49.841%0.41426%0.261SS..EExtended strand (participates in β ladder)trans-92.5127.7178.8-173.280.3000109.6I55 I57I55-L63 HydrophobicContact CG2-CD1 3.31Å; I55-L63 HydrophobicContact CG2-CG 4.28Å; I57-L63 HydrophobicContact CD1-CD1 4.29Å; I57-L63 HydrophobicContact CG1-CD1 3.73Å
64F87.9Confident89.7Confident28 Ų2851 Ų5112%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-120.5136.1169-62.1-75000109.8I55 V56 N58 R62 E75I55-F64 CarbonylContact C-O 3.52Å; I55-F64 WeakPolarHBondContact CA-O 3.23Å; V56-F64 PolarHBondContact N-O 2.95Å; V56-F64 PolarHBondContact O-N 3.49Å; N58-F64 HydrophobicContact CB-CE2 4.43Å; R62-F64 HydrophobicContact CB-CE2 4.08Å; R62-F64 HydrophobicContact CB-CZ 4.31Å; F64-E75 HydrophobicContact CD2-CG 3.97Å; F64-E75 HydrophobicContact CE2-CG 4.05Å
65V90.3Very high89.7Confident39 Ų3951.6 Ų51.624%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-116.4118.6169.7-174.10000106.8N53 K54 I55 N383N53-V65 HydrophobicContact CB-CG1 3.9Å; K54-V65 WeakPolarHBondContact O-CA 3.38Å; I55-V65 HydrophobicContact CG1-CG2 4.28Å; V65-N383 HydrophobicContact CG2-CB 4.45Å
66T88.1Confident89.5Confident0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-156.7150.6-173-168.70000111.6N53 K54 D68 T71 I72 R390N53-T66 WeakPolarHBondContact CA-O 3.48Å; K54-T66 PolarHBondContact N-O 3.29Å; K54-T66 PolarHBondContact O-N 3.11Å; K54-T66 VanDerWaalsContact O-N 3.11Å; T66-D68 PolarHBondContact OG1-N 3.27Å; T66-D68 VanDerWaalsContact OG1-N 3.15Å; T66-T71 HydrophobicContact CG2-CG2 4.1Å; T66-I72 HydrophobicContact CG2-CD1 4.08Å; T66-I72 HydrophobicContact CG2-CG1 3.46Å; T66-I72 VanDerWaalsContact CG2-CG1 3.46Å; T66-R390 PolarHBondContact OG1-NH1 3.3Å; T66-R390 VanDerWaalsContact OG1-NH1 3.16Å
67N87.5Confident89.4Confident7 Ų756 Ų564%0.03729%0.285CS..  trans-97.8-15.2163.158.617.9000112.9T46 N53 A69 K171T46-N67 WeakPolarHBondContact CB-O 3.14Å; T46-N67 PolarHBondContact OG1-O 3.29Å; N53-N67 WeakPolarHBondContact OD1-CB 3.39Å; N53-N67 PolarHBondContact OD1-N 3.42Å; N67-A69 PolarHBondContact O-N 2.9Å; N67-K171 VanDerWaalsContact ND2-CA 3.27Å; N67-K171 WeakPolarHBondContact ND2-CA 3.39Å; N67-K171 PolarHBondContact ND2-O 3.47Å
68D87.9Confident89.3Confident6 Ų651.9 Ų51.93%0.03227%0.265CS..  trans-67.5119.7-178170.440.4000110.9T66 A70 T71 I72T66-D68 PolarHBondContact OG1-N 3.27Å; T66-D68 VanDerWaalsContact OG1-N 3.15Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.46Å; D68-A70 PolarHBondContact OD1-N 3.14Å; D68-A70 VanDerWaalsContact OD1-N 3.09Å; D68-T71 PolarHBondContact O-N 3.42Å; D68-T71 WeakPolarHBondContact OD2-CB 3.49Å; D68-T71 PolarHBondContact OD2-N 2.9Å; D68-T71 PolarHBondContact OD2-OG1 3.06Å; D68-I72 WeakPolarHBondContact O-CD1 3.21Å; D68-I72 VanDerWaalsContact O-CG1 3.26Å; D68-I72 WeakPolarHBondContact O-CG1 3.41Å; D68-I72 PolarHBondContact O-N 3.31Å; D68-I72 VanDerWaalsContact O-N 3.1Å
69A90.1Very high89.3Confident0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-66.9-33.1179.800000112.9I43 N67 T71 I72 L73 N102I43-A69 HydrophobicContact CG2-CB 3.68Å; N67-A69 PolarHBondContact O-N 2.9Å; A69-T71 VanDerWaalsContact C-N 3.31Å; A69-T71 PolarHBondContact O-N 3.44Å; A69-I72 PolarHBondContact O-N 3.39Å; A69-L73 VanDerWaalsContact O-CB 3.26Å; A69-L73 WeakPolarHBondContact O-CB 3.46Å; A69-L73 WeakPolarHBondContact O-CD1 3.01Å; A69-L73 WeakPolarHBondContact O-CG 3.32Å; A69-L73 PolarHBondContact O-N 3.42Å; A69-N102 WeakPolarHBondContact CB-OD1 3.45Å
70A88.8Confident89.4Confident2 Ų250.3 Ų50.32%0.01727%0.273CS..Hα-helixtrans-61.5-46179.500000110.4D68 L73 K74 E94 T101D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.46Å; D68-A70 PolarHBondContact OD1-N 3.14Å; D68-A70 VanDerWaalsContact OD1-N 3.09Å; A70-L73 PolarHBondContact O-N 2.9Å; A70-K74 WeakPolarHBondContact O-CB 3.46Å; A70-K74 WeakPolarHBondContact O-CD 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-N 3.44Å; A70-E94 HydrophobicContact CB-CG 4.34Å; A70-T101 HydrophobicContact CB-CG2 4.01Å
71T87.8Confident89.4Confident17 Ų1748 Ų4810%0.10426%0.26CS..Hα-helixtrans-62.8-48.1175.4-58.30000111.8T66 D68 A69 L73 K74 E75 R390T66-T71 HydrophobicContact CG2-CG2 4.1Å; D68-T71 PolarHBondContact O-N 3.42Å; D68-T71 WeakPolarHBondContact OD2-CB 3.49Å; D68-T71 PolarHBondContact OD2-N 2.9Å; D68-T71 PolarHBondContact OD2-OG1 3.06Å; A69-T71 VanDerWaalsContact C-N 3.31Å; A69-T71 PolarHBondContact O-N 3.44Å; T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.34Å; T71-K74 PolarHBondContact O-N 2.95Å; T71-E75 PolarHBondContact O-N 2.86Å; T71-E75 VanDerWaalsContact O-N 3.13Å; T71-R390 WeakPolarHBondContact OG1-CD 3.32Å; T71-R390 PolarHBondContact OG1-NE 3.45Å
72I92Very high89.5Confident2 Ų245.6 Ų45.61%0.0124%0.235CC..Hα-helixtrans-56.2-46179.1-67.1160.9000110.2T46 K54 V56 T66 D68 A69 E75 L76T46-I72 HydrophobicContact CG2-CD1 3.81Å; K54-I72 HydrophobicContact CB-CD1 4.1Å; K54-I72 HydrophobicContact CB-CG1 4.48Å; K54-I72 HydrophobicContact CD-CD1 4.06Å; K54-I72 HydrophobicContact CD-CG2 4.45Å; K54-I72 HydrophobicContact CG-CD1 4.18Å; V56-I72 HydrophobicContact CG2-CG1 4.19Å; V56-I72 HydrophobicContact CG2-CG2 4.22Å; T66-I72 HydrophobicContact CG2-CD1 4.08Å; T66-I72 HydrophobicContact CG2-CG1 3.46Å; T66-I72 VanDerWaalsContact CG2-CG1 3.46Å; D68-I72 WeakPolarHBondContact O-CD1 3.21Å; D68-I72 VanDerWaalsContact O-CG1 3.26Å; D68-I72 WeakPolarHBondContact O-CG1 3.41Å; D68-I72 PolarHBondContact O-N 3.31Å; D68-I72 VanDerWaalsContact O-N 3.1Å; A69-I72 PolarHBondContact O-N 3.39Å; I72-E75 PolarHBondContact O-N 3.05Å; I72-L76 HydrophobicContact CG2-CD1 3.63Å; I72-L76 HydrophobicContact CG2-CG 4.24Å; I72-L76 WeakPolarHBondContact O-CB 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.29Å
73L91.1Very high89.7Confident5 Ų537.9 Ų37.93%0.02621%0.207CC..Hα-helixtrans-71.8-30.4-177.1-71.4168.6000114L39 I43 A69 A70 T71 V87 F105L39-L73 HydrophobicContact CD1-CD2 4.1Å; L39-L73 HydrophobicContact CD2-CD2 4.13Å; L39-L73 HydrophobicContact CG-CD2 4.33Å; I43-L73 HydrophobicContact CD1-CD1 3.94Å; I43-L73 HydrophobicContact CD1-CD2 3.39Å; I43-L73 HydrophobicContact CD1-CG 3.74Å; A69-L73 VanDerWaalsContact O-CB 3.26Å; A69-L73 WeakPolarHBondContact O-CB 3.46Å; A69-L73 WeakPolarHBondContact O-CD1 3.01Å; A69-L73 WeakPolarHBondContact O-CG 3.32Å; A69-L73 PolarHBondContact O-N 3.42Å; A70-L73 PolarHBondContact O-N 2.9Å; T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 3.34Å; L73-V87 HydrophobicContact CB-CG1 4.31Å; L73-V87 HydrophobicContact CD2-CG2 3.9Å; L73-F105 HydrophobicContact CD1-CD1 4.21Å; L73-F105 HydrophobicContact CD1-CD2 3.82Å; L73-F105 HydrophobicContact CD1-CE1 3.59Å; L73-F105 HydrophobicContact CD1-CE2 3.21Å; L73-F105 HydrophobicContact CD1-CG 4.3Å; L73-F105 HydrophobicContact CD1-CZ 3.06Å; L73-F105 HydrophobicContact CD2-CE1 3.78Å; L73-F105 HydrophobicContact CD2-CZ 3.8Å; L73-F105 HydrophobicContact CG-CE1 4.27Å; L73-F105 HydrophobicContact CG-CZ 4.01Å
74K89.5Confident89.8Confident107 Ų10739.3 Ų39.347%0.46521%0.209SC..Hα-helixtrans-68.6-38.5174.6-76.5167.6-174.4168.90111.4A70 T71A70-K74 WeakPolarHBondContact O-CB 3.46Å; A70-K74 WeakPolarHBondContact O-CD 3.48Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-N 3.44Å; T71-K74 PolarHBondContact O-N 2.95Å
75E90Very high90.1Very high57 Ų5740 Ų4027%0.26621%0.214SC..Hα-helixtrans-83.6-18.8-179.1-63.2-60.6143.100113.2V56 N58 F64 T71 I72V56-E75 HydrophobicContact CG1-CB 3.68Å; N58-E75 WeakPolarHBondContact CB-OE2 3.47Å; N58-E75 PolarHBondContact ND2-OE2 3.4Å; F64-E75 HydrophobicContact CD2-CG 3.97Å; F64-E75 HydrophobicContact CE2-CG 4.05Å; T71-E75 PolarHBondContact O-N 2.86Å; T71-E75 VanDerWaalsContact O-N 3.13Å; I72-E75 PolarHBondContact O-N 3.05Å
76L89.6Confident90.2Very high69 Ų6938.1 Ų38.136%0.36120%0.203SC..SBendtrans-80.7131.2176.6-76.2174.2000112.9I72 V78I72-L76 HydrophobicContact CG2-CD1 3.63Å; I72-L76 HydrophobicContact CG2-CG 4.24Å; I72-L76 WeakPolarHBondContact O-CB 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.29Å; L76-V78 HydrophobicContact CB-CG2 4.46Å; L76-V78 PolarHBondContact O-N 2.88Å; L76-V78 VanDerWaalsContact O-N 3.08Å
77E88.2Confident90.4Very high157 Ų15738.8 Ų38.873%0.73421%0.206SC*.  trans-80.986.8173.3-65.7-175178.800111.8H59 A79H59-E77 WeakPolarHBondContact CB-OE1 3.49Å; H59-E77 IonicContact CG-OE1 3.61Å; E77-A79 PolarHBondContact O-N 3.31Å
78V88.6Confident90.7Very high30 Ų3043.2 Ų43.218%0.18223%0.228CC..  trans-79.5110179.2-177.70000110.8L76 A83 K84 V87L76-V78 HydrophobicContact CB-CG2 4.46Å; L76-V78 PolarHBondContact O-N 2.88Å; L76-V78 VanDerWaalsContact O-N 3.08Å; V78-A83 HydrophobicContact CG1-CB 3.51Å; V78-K84 HydrophobicContact CB-CG 4.43Å; V78-K84 HydrophobicContact CG1-CG 4.15Å; V78-K84 WeakPolarHBondContact O-CE 3.42Å; V78-V87 HydrophobicContact CG2-CG2 4.11Å
79A89.2Confident91Very high89 Ų8943.2 Ų43.274%0.73623%0.229SC*.  trans-79.8-36179.300000113.8E77E77-A79 PolarHBondContact O-N 3.31Å
80H90.7Very high91.1Very high45 Ų4543.2 Ų43.221%0.20823%0.229CC..  trans-73.8127.3-170.6-165.9-71.4000112.4N32 A35 A82 A83 K84N32-H80 PolarHBondContact OD1-CE1 3.25Å; N32-H80 VanDerWaalsContact OD1-CE1 3.22Å; A35-H80 HydrophobicContact CB-CB 4.33Å; H80-A82 PolarHBondContact ND1-N 3.2Å; H80-A82 PolarHBondContact O-N 2.89Å; H80-A83 HydrophobicContact CB-CB 4.09Å; H80-A83 PolarHBondContact O-N 3.28Å; H80-K84 PolarHBondContact O-N 2.83Å
81P91.4Very high91.2Very high48 Ų4846.6 Ų46.631%0.31225%0.245SC..Hα-helixtrans-58.7-45.8-176.1-25.533.9000114.4A83 K84 I85 I525 M527P81-A83 VanDerWaalsContact C-N 3.31Å; P81-A83 PolarHBondContact O-N 3.34Å; P81-K84 WeakPolarHBondContact O-CB 3.49Å; P81-K84 PolarHBondContact O-N 2.91Å; P81-K84 VanDerWaalsContact O-N 3.11Å; P81-I85 PolarHBondContact O-N 3.41Å; P81-I85 VanDerWaalsContact O-N 3.16Å; P81-I525 HydrophobicContact CG-CG2 4.47Å; P81-M527 HydrophobicContact CG-SD 4.33Å
82A91.9Very high91.5Very high5 Ų550.6 Ų50.64%0.04126%0.262CS..Hα-helixtrans-60.2-40177.900000112.6N32 H80 K84 I85 L86 I519N32-A82 HydrophobicContact CB-CB 3.78Å; H80-A82 PolarHBondContact ND1-N 3.2Å; H80-A82 PolarHBondContact O-N 2.89Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 3.08Å; A82-I85 WeakPolarHBondContact O-CB 3.44Å; A82-I85 PolarHBondContact O-N 3.26Å; A82-L86 PolarHBondContact O-N 3.38Å; A82-I519 HydrophobicContact CB-CG2 4.24Å
83A92.3Very high91.6Very high4 Ų450.5 Ų50.53%0.03326%0.261CS..Hα-helixtrans-68-34.6176.600000111.7L39 V78 H80 P81 I85 L86 V87L39-A83 HydrophobicContact CD2-CB 4.05Å; V78-A83 HydrophobicContact CG1-CB 3.51Å; H80-A83 HydrophobicContact CB-CB 4.09Å; H80-A83 PolarHBondContact O-N 3.28Å; P81-A83 VanDerWaalsContact C-N 3.31Å; P81-A83 PolarHBondContact O-N 3.34Å; A83-I85 VanDerWaalsContact C-N 3.31Å; A83-I85 PolarHBondContact O-N 3.07Å; A83-L86 WeakPolarHBondContact O-CB 3.23Å; A83-L86 PolarHBondContact O-N 2.87Å; A83-V87 WeakPolarHBondContact O-CG2 3.43Å; A83-V87 PolarHBondContact O-N 3.33Å
84K93Very high91.6Very high108 Ų10852 Ų5247%0.4727%0.268SS..Hα-helixtrans-60.7-37.8172-69.8-175.8178.1-175.10112.5V78 H80 P81 A82 L86 V87 M88V78-K84 HydrophobicContact CB-CG 4.43Å; V78-K84 HydrophobicContact CG1-CG 4.15Å; V78-K84 WeakPolarHBondContact O-CE 3.42Å; H80-K84 PolarHBondContact O-N 2.83Å; P81-K84 WeakPolarHBondContact O-CB 3.49Å; P81-K84 PolarHBondContact O-N 2.91Å; P81-K84 VanDerWaalsContact O-N 3.11Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-K84 PolarHBondContact O-N 3.08Å; K84-L86 VanDerWaalsContact C-N 3.26Å; K84-L86 PolarHBondContact O-N 3.45Å; K84-V87 PolarHBondContact O-N 3.11Å; K84-M88 WeakPolarHBondContact O-CG 3.4Å; K84-M88 PolarHBondContact O-N 2.62Å
85I93.3Very high91.7Very high42 Ų4254 Ų5422%0.21528%0.28CS..Hα-helixtrans-59.4-42.8175.5-62.9170.5000110.4P81 A82 A83 M88 A89 T518 I519P81-I85 PolarHBondContact O-N 3.41Å; P81-I85 VanDerWaalsContact O-N 3.16Å; A82-I85 WeakPolarHBondContact O-CB 3.44Å; A82-I85 PolarHBondContact O-N 3.26Å; A83-I85 VanDerWaalsContact C-N 3.31Å; A83-I85 PolarHBondContact O-N 3.07Å; I85-M88 HydrophobicContact CB-CE 4.42Å; I85-M88 HydrophobicContact CG1-CE 4.1Å; I85-M88 PolarHBondContact O-N 3.37Å; I85-A89 PolarHBondContact O-N 3.34Å; I85-A89 VanDerWaalsContact O-N 3.13Å; I85-T518 HydrophobicContact CD1-CG2 4.23Å; I85-T518 HydrophobicContact CG2-CG2 4.25Å; I85-I519 HydrophobicContact CB-CG1 4.2Å; I85-I519 HydrophobicContact CD1-CG1 4.34Å; I85-I519 HydrophobicContact CG2-CD1 4.45Å; I85-I519 HydrophobicContact CG2-CG1 4.09Å
86L92.6Very high91.7Very high1 Ų155.1 Ų55.11%0.00529%0.285CS..Hα-helixtrans-67.4-39178.6-151154.1000111.6C36 A82 A83 K84 A89 S90 F105 A108 L112 I519C36-L86 HydrophobicContact CB-CD1 3.93Å; A82-L86 PolarHBondContact O-N 3.38Å; A83-L86 WeakPolarHBondContact O-CB 3.23Å; A83-L86 PolarHBondContact O-N 2.87Å; K84-L86 VanDerWaalsContact C-N 3.26Å; K84-L86 PolarHBondContact O-N 3.45Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.46Å; L86-S90 PolarHBondContact O-N 3.17Å; L86-F105 HydrophobicContact CD2-CB 4.38Å; L86-F105 HydrophobicContact CD2-CD1 3.25Å; L86-F105 HydrophobicContact CD2-CD2 3.66Å; L86-F105 HydrophobicContact CD2-CE1 3.12Å; L86-F105 HydrophobicContact CD2-CE2 3.44Å; L86-F105 VanDerWaalsContact CD2-CE2 3.44Å; L86-F105 HydrophobicContact CD2-CG 3.54Å; L86-F105 HydrophobicContact CD2-CZ 3.2Å; L86-F105 HydrophobicContact CG-CE1 4.48Å; L86-F105 HydrophobicContact CG-CZ 4.43Å; L86-F105 VanDerWaalsContact O-CE2 3.28Å; L86-F105 WeakPolarHBondContact O-CE2 3.44Å; L86-A108 HydrophobicContact CD1-CB 3.99Å; L86-A108 HydrophobicContact CG-CB 4.17Å; L86-L112 HydrophobicContact CD1-CD1 4.31Å; L86-I519 HydrophobicContact CB-CD1 4.36Å; L86-I519 HydrophobicContact CD1-CD1 4.32Å
87V93.6Very high91.6Very high13 Ų1352 Ų528%0.07927%0.269CS..Hα-helixtrans-63.2-40.6172175.80000112.5L39 L73 V78 A83 K84 A89 S90 Q91 F105L39-V87 HydrophobicContact CD2-CG2 4.1Å; L73-V87 HydrophobicContact CB-CG1 4.31Å; L73-V87 HydrophobicContact CD2-CG2 3.9Å; V78-V87 HydrophobicContact CG2-CG2 4.11Å; A83-V87 WeakPolarHBondContact O-CG2 3.43Å; A83-V87 PolarHBondContact O-N 3.33Å; K84-V87 PolarHBondContact O-N 3.11Å; V87-A89 PolarHBondContact O-N 3.23Å; V87-S90 PolarHBondContact O-N 3.21Å; V87-S90 PolarHBondContact O-OG 3.42Å; V87-Q91 WeakPolarHBondContact O-CG 3.5Å; V87-Q91 PolarHBondContact O-N 2.84Å; V87-F105 HydrophobicContact CB-CZ 4.5Å; V87-F105 HydrophobicContact CG2-CZ 3.98Å
88M93.3Very high91.4Very high100 Ų10044.5 Ų44.549%0.49323%0.234SC..Hα-helixtrans-62.4-35.3175.6-72.2-175.6-71.200111.4K84 I85 Q91 Q92K84-M88 WeakPolarHBondContact O-CG 3.4Å; K84-M88 PolarHBondContact O-N 2.62Å; I85-M88 HydrophobicContact CB-CE 4.42Å; I85-M88 HydrophobicContact CG1-CE 4.1Å; I85-M88 PolarHBondContact O-N 3.37Å; M88-Q91 PolarHBondContact O-N 2.68Å; M88-Q92 WeakPolarHBondContact O-CG 3.34Å; M88-Q92 PolarHBondContact O-N 3.05Å
89A93.5Very high91.4Very high6 Ų644.7 Ų44.75%0.0523%0.234CC..Hα-helixtrans-65.7-38.9175.700000113I85 L86 V87 Q92 Q93 V104 A515I85-A89 PolarHBondContact O-N 3.34Å; I85-A89 VanDerWaalsContact O-N 3.13Å; L86-A89 WeakPolarHBondContact O-CB 3.4Å; L86-A89 PolarHBondContact O-N 3.46Å; V87-A89 PolarHBondContact O-N 3.23Å; A89-Q92 PolarHBondContact O-N 2.89Å; A89-Q93 PolarHBondContact O-N 2.91Å; A89-Q93 VanDerWaalsContact O-N 3.09Å; A89-V104 HydrophobicContact CB-CG1 4.15Å; A89-A515 HydrophobicContact CB-CB 3.8Å
90S91.9Very high91.3Very high1 Ų140.6 Ų40.61%0.00720%0.2CC..Hα-helixtrans-69.2-36.1172.457.30000112.8L86 V87 Q92 Q93 E94 F105L86-S90 PolarHBondContact O-N 3.17Å; V87-S90 PolarHBondContact O-N 3.21Å; V87-S90 PolarHBondContact O-OG 3.42Å; S90-Q92 VanDerWaalsContact C-N 3.26Å; S90-Q92 PolarHBondContact O-N 3.37Å; S90-Q93 WeakPolarHBondContact O-CB 3.49Å; S90-Q93 PolarHBondContact O-N 3.19Å; S90-E94 WeakPolarHBondContact O-CB 3.48Å; S90-E94 PolarHBondContact O-N 2.99Å; S90-F105 WeakPolarHBondContact OG-CE2 3.29Å
91Q92.8Very high91.3Very high73 Ų7338.6 Ų38.634%0.34119%0.191SC..Hα-helixtrans-63.5-35.5176.1-71.1177.5-5.600111.4V87 M88 E94 Q95V87-Q91 WeakPolarHBondContact O-CG 3.5Å; V87-Q91 PolarHBondContact O-N 2.84Å; M88-Q91 PolarHBondContact O-N 2.68Å; Q91-E94 WeakPolarHBondContact O-CB 2.97Å; Q91-Q95 VanDerWaalsContact O-CG 3.31Å; Q91-Q95 WeakPolarHBondContact O-CG 3.3Å; Q91-Q95 PolarHBondContact O-N 3.48Å; Q91-Q95 VanDerWaalsContact O-N 3.12Å
92Q93.9Very high91.4Very high100 Ų10037.2 Ų37.247%0.46718%0.182SC..Hα-helixtrans-66.1-43.2172.2-73.6176-6.800112M88 A89 S90 E94 Q95 E96 L511M88-Q92 WeakPolarHBondContact O-CG 3.34Å; M88-Q92 PolarHBondContact O-N 3.05Å; A89-Q92 PolarHBondContact O-N 2.89Å; S90-Q92 VanDerWaalsContact C-N 3.26Å; S90-Q92 PolarHBondContact O-N 3.37Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.85Å; Q92-Q95 PolarHBondContact O-N 3.06Å; Q92-E96 PolarHBondContact O-N 3.2Å; Q92-E96 VanDerWaalsContact O-N 3.08Å; Q92-L511 HydrophobicContact CB-CD1 4.04Å; Q92-L511 HydrophobicContact CB-CD2 4.3Å
93Q93.6Very high91.4Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-60.4-43175.6-179.365.921.100111.8A89 S90 Q95 E96 A97 G98 D99 T101 V104 L511A89-Q93 PolarHBondContact O-N 2.91Å; A89-Q93 VanDerWaalsContact O-N 3.09Å; S90-Q93 WeakPolarHBondContact O-CB 3.49Å; S90-Q93 PolarHBondContact O-N 3.19Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.2Å; Q93-E96 PolarHBondContact O-N 3.33Å; Q93-A97 PolarHBondContact O-N 3.18Å; Q93-G98 PolarHBondContact O-N 3.02Å; Q93-D99 WeakPolarHBondContact CG-O 3.26Å; Q93-D99 PolarHBondContact NE2-O 2.99Å; Q93-T101 HydrophobicContact CB-CG2 4.38Å; Q93-T101 HydrophobicContact CG-CG2 4.25Å; Q93-V104 HydrophobicContact CB-CG2 3.97Å; Q93-V104 HydrophobicContact CG-CG2 3.85Å; Q93-L511 HydrophobicContact CB-CD1 3.87Å
94E91.9Very high91.5Very high37 Ų3737.8 Ų37.817%0.17318%0.184CC..Hα-helixtrans-58.8-41.7175.9-175.671.3176.600111.9A70 S90 Q91 Q92 G98 T101A70-E94 HydrophobicContact CB-CG 4.34Å; S90-E94 WeakPolarHBondContact O-CB 3.48Å; S90-E94 PolarHBondContact O-N 2.99Å; Q91-E94 WeakPolarHBondContact O-CB 2.97Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.85Å; E94-G98 WeakPolarHBondContact O-CA 3.21Å; E94-G98 PolarHBondContact O-N 3.45Å; E94-T101 HydrophobicContact CB-CG2 4.04Å; E94-T101 VanDerWaalsContact OE2-CG2 3.24Å; E94-T101 WeakPolarHBondContact OE2-CG2 3.38Å
95Q91.4Very high91.4Very high150 Ų15032.7 Ų32.770%0.70116%0.162SC*.Hα-helixtrans-71.2-37.5-179.5-72.91744.700113Q91 Q92 Q93Q91-Q95 VanDerWaalsContact O-CG 3.31Å; Q91-Q95 WeakPolarHBondContact O-CG 3.3Å; Q91-Q95 PolarHBondContact O-N 3.48Å; Q91-Q95 VanDerWaalsContact O-N 3.12Å; Q92-Q95 PolarHBondContact O-N 3.06Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.2Å
96E89.1Confident91.4Very high79 Ų7930.9 Ų30.937%0.36915%0.152SC..Hα-helixtrans-83.5-46.8-176.2-71.7-61.516400113.3Q92 Q93 R404Q92-E96 PolarHBondContact O-N 3.2Å; Q92-E96 VanDerWaalsContact O-N 3.08Å; Q93-E96 PolarHBondContact O-N 3.33Å; E96-R404 IonicContact OE2-NH1 3.74Å
97A87.6Confident91.6Very high3 Ų331.4 Ų31.43%0.02516%0.155CC..THydrogen-bonded Turntrans-110.2-30.5-174.400000113.6Q93 D99 N397 C401Q93-A97 PolarHBondContact O-N 3.18Å; A97-D99 PolarHBondContact O-N 3.02Å; A97-N397 WeakPolarHBondContact O-CB 3.07Å; A97-C401 VanDerWaalsContact CA-SG 3.58Å; A97-C401 PolarHBondContact O-SG 3Å
98G84.3Confident91.6Very high1 Ų130.8 Ų30.81%0.0115%0.151CC..SBendtrans68.39.1-174.500000115Q93 E94Q93-G98 PolarHBondContact O-N 3.02Å; E94-G98 WeakPolarHBondContact O-CA 3.21Å; E94-G98 PolarHBondContact O-N 3.45Å
99D87.7Confident91.7Very high33 Ų3326.1 Ų26.118%0.17613%0.129CC..SBendtrans-153.1167.6172.1-177.120.7000108.5Q93 A97 L504Q93-D99 WeakPolarHBondContact CG-O 3.26Å; Q93-D99 PolarHBondContact NE2-O 2.99Å; A97-D99 PolarHBondContact O-N 3.02Å; D99-L504 HydrophobicContact CB-CD1 3.68Å; D99-L504 WeakPolarHBondContact OD2-CD1 3.47Å
100G87.3Confident91.8Very high3 Ų326 Ų263%0.03113%0.128CC..  trans85.410.718000000114N102 V103 V104G100-N102 VanDerWaalsContact C-N 3.3Å; G100-N102 PolarHBondContact O-N 2.61Å; G100-V103 WeakPolarHBondContact O-CB 3.45Å; G100-V103 PolarHBondContact O-N 3.41Å; G100-V103 VanDerWaalsContact O-N 3.08Å; G100-V104 PolarHBondContact O-N 3.22Å; G100-V104 VanDerWaalsContact O-N 3.16Å
101T91.5Very high92Very high3 Ų326 Ų262%0.01813%0.128CC..Hα-helixtrans-60.3-40.5179.657.80000112.1A70 Q93 E94 V103 V104 F105A70-T101 HydrophobicContact CB-CG2 4.01Å; Q93-T101 HydrophobicContact CB-CG2 4.38Å; Q93-T101 HydrophobicContact CG-CG2 4.25Å; E94-T101 HydrophobicContact CB-CG2 4.04Å; E94-T101 VanDerWaalsContact OE2-CG2 3.24Å; E94-T101 WeakPolarHBondContact OE2-CG2 3.38Å; T101-V103 PolarHBondContact O-N 3.18Å; T101-V104 PolarHBondContact O-N 3.14Å; T101-F105 PolarHBondContact O-N 2.99Å
102N92.2Very high92.1Very high20 Ų2022.5 Ų22.511%0.10711%0.111CC..Hα-helixtrans-61.5-40.9172.7-93.3-42.4000113I43 T46 F47 A69 G100 V104 F105 Q106I43-N102 WeakPolarHBondContact CG2-OD1 3.46Å; T46-N102 PolarHBondContact OG1-OD1 3.02Å; F47-N102 HydrophobicContact CD2-CB 3.66Å; F47-N102 HydrophobicContact CE2-CB 4.28Å; A69-N102 WeakPolarHBondContact CB-OD1 3.45Å; G100-N102 VanDerWaalsContact C-N 3.3Å; G100-N102 PolarHBondContact O-N 2.61Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 3.47Å; N102-F105 WeakPolarHBondContact O-CB 3.31Å; N102-F105 PolarHBondContact O-N 3.49Å; N102-Q106 WeakPolarHBondContact O-CG 3.3Å; N102-Q106 PolarHBondContact O-N 3.05Å
103V92.8Very high92.1Very high21 Ų2120.2 Ų20.213%0.12710%0.101CC..Hα-helixtrans-62.9-43.6-179.3-179.90000110.1F47 G100 T101 F105 Q106 L107 A508F47-V103 HydrophobicContact CE2-CG2 3.66Å; F47-V103 HydrophobicContact CZ-CG2 4.08Å; G100-V103 WeakPolarHBondContact O-CB 3.45Å; G100-V103 PolarHBondContact O-N 3.41Å; G100-V103 VanDerWaalsContact O-N 3.08Å; T101-V103 PolarHBondContact O-N 3.18Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 3.13Å; V103-Q106 PolarHBondContact O-N 3.23Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 PolarHBondContact O-N 3.28Å; V103-A508 HydrophobicContact CB-CB 4.46Å; V103-A508 HydrophobicContact CG1-CB 4.19Å
104V94Very high92.2Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-57.4-45.1175175.50000110.9A89 Q93 G100 T101 N102 A108 A508 L511 A512A89-V104 HydrophobicContact CB-CG1 4.15Å; Q93-V104 HydrophobicContact CB-CG2 3.97Å; Q93-V104 HydrophobicContact CG-CG2 3.85Å; G100-V104 PolarHBondContact O-N 3.22Å; G100-V104 VanDerWaalsContact O-N 3.16Å; T101-V104 PolarHBondContact O-N 3.14Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 3.47Å; V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 3.33Å; V104-A508 HydrophobicContact CG2-CB 3.82Å; V104-L511 HydrophobicContact CG1-CB 4.42Å; V104-L511 HydrophobicContact CG2-CB 4.49Å; V104-A512 HydrophobicContact CG1-CB 4.35Å
105F91.8Very high92.3Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-65.5-45.8-179.4-101-103.7000113.7L39 S40 I43 L73 L86 V87 S90 T101 N102 V103 G109L39-F105 HydrophobicContact CD2-CE1 3.78Å; L39-F105 HydrophobicContact CD2-CZ 4.4Å; L39-F105 HydrophobicContact CG-CE1 4.02Å; S40-F105 PolarHBondContact OG-O 2.88Å; I43-F105 HydrophobicContact CD1-CD1 3.47Å; I43-F105 VanDerWaalsContact CD1-CD1 3.47Å; I43-F105 HydrophobicContact CD1-CE1 3.55Å; I43-F105 HydrophobicContact CD1-CG 4.29Å; I43-F105 HydrophobicContact CD1-CZ 4.48Å; L73-F105 HydrophobicContact CD1-CD1 4.21Å; L73-F105 HydrophobicContact CD1-CD2 3.82Å; L73-F105 HydrophobicContact CD1-CE1 3.59Å; L73-F105 HydrophobicContact CD1-CE2 3.21Å; L73-F105 HydrophobicContact CD1-CG 4.3Å; L73-F105 HydrophobicContact CD1-CZ 3.06Å; L73-F105 HydrophobicContact CD2-CE1 3.78Å; L73-F105 HydrophobicContact CD2-CZ 3.8Å; L73-F105 HydrophobicContact CG-CE1 4.27Å; L73-F105 HydrophobicContact CG-CZ 4.01Å; L86-F105 HydrophobicContact CD2-CB 4.38Å; L86-F105 HydrophobicContact CD2-CD1 3.25Å; L86-F105 HydrophobicContact CD2-CD2 3.66Å; L86-F105 HydrophobicContact CD2-CE1 3.12Å; L86-F105 HydrophobicContact CD2-CE2 3.44Å; L86-F105 VanDerWaalsContact CD2-CE2 3.44Å; L86-F105 HydrophobicContact CD2-CG 3.54Å; L86-F105 HydrophobicContact CD2-CZ 3.2Å; L86-F105 HydrophobicContact CG-CE1 4.48Å; L86-F105 HydrophobicContact CG-CZ 4.43Å; L86-F105 VanDerWaalsContact O-CE2 3.28Å; L86-F105 WeakPolarHBondContact O-CE2 3.44Å; V87-F105 HydrophobicContact CB-CZ 4.5Å; V87-F105 HydrophobicContact CG2-CZ 3.98Å; S90-F105 WeakPolarHBondContact OG-CE2 3.29Å; T101-F105 PolarHBondContact O-N 2.99Å; N102-F105 WeakPolarHBondContact O-CB 3.31Å; N102-F105 PolarHBondContact O-N 3.49Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 3.13Å; F105-G109 PolarHBondContact O-N 3.44Å
106Q93.5Very high92.4Very high4 Ų415 Ų152%0.0198%0.075CC..Hα-helixtrans-69.2-42.5179.7-65.7-50.3-47.100111.1S40 N102 V103 G109 A110 V447S40-Q106 PolarHBondContact O-NE2 3.43Å; S40-Q106 VanDerWaalsContact O-NE2 3.11Å; N102-Q106 WeakPolarHBondContact O-CG 3.3Å; N102-Q106 PolarHBondContact O-N 3.05Å; V103-Q106 PolarHBondContact O-N 3.23Å; Q106-G109 PolarHBondContact O-N 3.44Å; Q106-A110 VanDerWaalsContact O-CB 3.28Å; Q106-A110 WeakPolarHBondContact O-CB 3.26Å; Q106-A110 PolarHBondContact O-N 3.34Å; Q106-V447 HydrophobicContact CB-CG1 4.07Å
107L95.2Very high92.6Very high12 Ų1213.9 Ų13.96%0.0637%0.071CC..Hα-helixtrans-67.2-44.8178.7-173.162.2000111.5V103 G109 A110 L111 A444 F445 I509 A512V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 PolarHBondContact O-N 3.28Å; L107-G109 PolarHBondContact O-N 3.11Å; L107-A110 WeakPolarHBondContact O-CB 3.45Å; L107-A110 PolarHBondContact O-N 3.08Å; L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.38Å; L107-A444 HydrophobicContact CD1-CB 4.4Å; L107-F445 HydrophobicContact CD1-CD1 4.1Å; L107-F445 HydrophobicContact CD1-CE1 4.22Å; L107-F445 HydrophobicContact CD1-CG 4.43Å; L107-F445 HydrophobicContact CD2-CE1 4.15Å; L107-I509 HydrophobicContact CD2-CB 4.49Å; L107-I509 HydrophobicContact CD2-CG1 4.15Å; L107-A512 HydrophobicContact CB-CB 3.92Å; L107-A512 HydrophobicContact CD2-CB 3.77Å; L107-A512 HydrophobicContact CG-CB 3.88Å
108A95.2Very high92.8Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-62.9-42.4176.300000111.8L86 V104 L111 L112 A512L86-A108 HydrophobicContact CD1-CB 3.99Å; L86-A108 HydrophobicContact CG-CB 4.17Å; V104-A108 WeakPolarHBondContact O-CB 3.5Å; V104-A108 PolarHBondContact O-N 3.33Å; A108-L111 PolarHBondContact O-N 3.46Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.93Å; A108-A512 HydrophobicContact CB-CB 4.23Å
109G94.7Very high93.2Very high2 Ų214.3 Ų14.32%0.0217%0.073CC..Hα-helixtrans-60.5-44.9174.300000112.4L37 F105 Q106 L107 L112 E113L37-G109 WeakPolarHBondContact CD2-O 3.27Å; F105-G109 PolarHBondContact O-N 3.44Å; Q106-G109 PolarHBondContact O-N 3.44Å; L107-G109 PolarHBondContact O-N 3.11Å; G109-L112 PolarHBondContact O-N 3.33Å; G109-E113 PolarHBondContact O-N 2.99Å
110A94.8Very high93.4Very high4 Ų420.3 Ų20.33%0.0339%0.093CC..Hα-helixtrans-60.9-45.6176.500000112.3Q106 L107 L112 E113 Q114 A444 V447Q106-A110 VanDerWaalsContact O-CB 3.28Å; Q106-A110 WeakPolarHBondContact O-CB 3.26Å; Q106-A110 PolarHBondContact O-N 3.34Å; L107-A110 WeakPolarHBondContact O-CB 3.45Å; L107-A110 PolarHBondContact O-N 3.08Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 2.99Å; A110-E113 WeakPolarHBondContact O-CB 3.5Å; A110-E113 PolarHBondContact O-N 2.83Å; A110-Q114 VanDerWaalsContact O-CG 3.32Å; A110-Q114 WeakPolarHBondContact O-CG 3.45Å; A110-Q114 PolarHBondContact O-N 2.88Å; A110-A444 HydrophobicContact CB-CB 3.91Å; A110-V447 HydrophobicContact CB-CB 3.86Å; A110-V447 HydrophobicContact CB-CG1 4.26Å; A110-V447 HydrophobicContact CB-CG2 3.36Å
111L96Very high93.6Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-61-40.7177.8-72.6172.8000112.1L107 A108 Q114 A115 F132 F441 A444 T513 A516L107-L111 HydrophobicContact CG-CD1 4.29Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.38Å; A108-L111 PolarHBondContact O-N 3.46Å; L111-Q114 PolarHBondContact O-N 2.9Å; L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.05Å; L111-A115 PolarHBondContact O-N 3.35Å; L111-F132 HydrophobicContact CB-CE2 4.18Å; L111-F132 HydrophobicContact CD2-CE2 4.28Å; L111-F132 HydrophobicContact CD2-CZ 4.24Å; L111-F441 HydrophobicContact CD1-CE2 4.03Å; L111-F441 HydrophobicContact CD2-CD2 3.28Å; L111-F441 HydrophobicContact CD2-CE2 3.58Å; L111-F441 HydrophobicContact CD2-CG 4.19Å; L111-F441 HydrophobicContact CG-CE2 4.47Å; L111-A444 HydrophobicContact CD2-CB 3.59Å; L111-A444 HydrophobicContact CG-CB 4.04Å; L111-T513 HydrophobicContact CD1-CG2 4.15Å; L111-A516 HydrophobicContact CB-CB 3.95Å; L111-A516 HydrophobicContact CD1-CB 4.16Å
112L95.3Very high93.6Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-69.5-35.8176.1-68174000112.3I33 C36 L86 A108 G109 A110 A115 R116 A516 I519 L520I33-L112 HydrophobicContact CG1-CB 4.32Å; I33-L112 HydrophobicContact CG1-CD2 4.29Å; I33-L112 HydrophobicContact CG2-CB 4.13Å; I33-L112 WeakPolarHBondContact CG2-O 3.44Å; C36-L112 HydrophobicContact CB-CD1 3.55Å; L86-L112 HydrophobicContact CD1-CD1 4.31Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 2.93Å; G109-L112 PolarHBondContact O-N 3.33Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 2.99Å; L112-A115 PolarHBondContact O-N 2.86Å; L112-R116 PolarHBondContact O-N 3.23Å; L112-A516 HydrophobicContact CD2-CB 4.25Å; L112-A516 HydrophobicContact CG-CB 4.39Å; L112-I519 HydrophobicContact CD1-CD1 3.92Å; L112-I519 HydrophobicContact CD1-CG2 4.27Å; L112-I519 HydrophobicContact CD2-CB 4.21Å; L112-I519 HydrophobicContact CD2-CG2 3.97Å; L112-L520 HydrophobicContact CD2-CD2 4.09Å; L112-L520 HydrophobicContact CD2-CG 3.95Å
113E95Very high93.6Very high52 Ų5228.4 Ų28.424%0.24315%0.149CC..Hα-helixtrans-62.6-46.2173.2-171.4157.1-145.600111.5L37 G109 A110 R116 D117L37-E113 HydrophobicContact CD1-CB 4.45Å; L37-E113 HydrophobicContact CD2-CB 3.77Å; L37-E113 HydrophobicContact CD2-CG 4.49Å; G109-E113 PolarHBondContact O-N 2.99Å; A110-E113 WeakPolarHBondContact O-CB 3.5Å; A110-E113 PolarHBondContact O-N 2.83Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 3.47Å; E113-R116 IonicContact OE1-NH2 3.93Å; E113-R116 PolarHBondContact OE1-NH2 3.19Å; E113-D117 PolarHBondContact O-N 3.36Å
114Q94.2Very high93.5Very high32 Ų3229.9 Ų29.915%0.1516%0.16CC..Hα-helixtrans-66.3-39.1176.6-69.4-50-25.200112.4A110 L111 R116 D117 L118 E440 A444A110-Q114 VanDerWaalsContact O-CG 3.32Å; A110-Q114 WeakPolarHBondContact O-CG 3.45Å; A110-Q114 PolarHBondContact O-N 2.88Å; L111-Q114 PolarHBondContact O-N 2.9Å; Q114-R116 VanDerWaalsContact C-N 3.31Å; Q114-R116 PolarHBondContact O-N 2.91Å; Q114-D117 PolarHBondContact O-N 3.44Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.3Å; Q114-L118 VanDerWaalsContact O-N 3.12Å; Q114-E440 HydrophobicContact CB-CB 3.86Å; Q114-E440 HydrophobicContact CG-CB 4.24Å; Q114-E440 PolarHBondContact OE1-OE2 3.27Å; Q114-E440 VanDerWaalsContact OE1-OE2 3.07Å; Q114-A444 HydrophobicContact CG-CB 4.31Å
115A93.9Very high93.4Very high0 Ų031.5 Ų31.50%017%0.17CC..Hα-helixtrans-62.2-37.917500000112L111 L112 D117 L118 L119 V128 F132 L520L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.05Å; L111-A115 PolarHBondContact O-N 3.35Å; L112-A115 PolarHBondContact O-N 2.86Å; A115-D117 VanDerWaalsContact C-N 3.27Å; A115-D117 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 3.37Å; A115-L119 VanDerWaalsContact O-CG 3.26Å; A115-L119 WeakPolarHBondContact O-CG 3.47Å; A115-L119 PolarHBondContact O-N 2.87Å; A115-V128 HydrophobicContact CB-CG1 4.04Å; A115-F132 HydrophobicContact CB-CE2 4.03Å; A115-F132 HydrophobicContact CB-CZ 4.07Å; A115-L520 HydrophobicContact CB-CD1 3.78Å; A115-L520 HydrophobicContact CB-CD2 3.8Å; A115-L520 HydrophobicContact CB-CG 4.4Å
116R93.3Very high93.5Very high46 Ų4634.8 Ų34.817%0.17420%0.197CC..Hα-helixtrans-55.5-44.9174.3-179.3-170.167.2-155.6-9.5111.4Y30 I33 L112 E113 Q114 L119 R120Y30-R116 HydrophobicContact CD1-CG 3.81Å; Y30-R116 HydrophobicContact CE1-CG 3.73Å; I33-R116 HydrophobicContact CD1-CB 4.22Å; I33-R116 HydrophobicContact CG2-CB 4.3Å; L112-R116 PolarHBondContact O-N 3.23Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 3.47Å; E113-R116 IonicContact OE1-NH2 3.93Å; E113-R116 PolarHBondContact OE1-NH2 3.19Å; Q114-R116 VanDerWaalsContact C-N 3.31Å; Q114-R116 PolarHBondContact O-N 2.91Å; R116-L119 PolarHBondContact O-N 2.89Å; R116-R120 WeakPolarHBondContact O-CG 3.39Å; R116-R120 PolarHBondContact O-N 3.33Å
117D93.3Very high93.5Very high55 Ų5537.5 Ų37.529%0.29421%0.209SC..Hα-helixtrans-71.2-35.3-177.1-63-16.3000111E113 Q114 A115 R120 M121E113-D117 PolarHBondContact O-N 3.36Å; Q114-D117 PolarHBondContact O-N 3.44Å; A115-D117 VanDerWaalsContact C-N 3.27Å; A115-D117 PolarHBondContact O-N 3.45Å; D117-R120 PolarHBondContact O-N 3.07Å; D117-M121 HydrophobicContact CB-CE 4.43Å; D117-M121 WeakPolarHBondContact O-CE 3.49Å; D117-M121 WeakPolarHBondContact O-CG 3.1Å; D117-M121 PolarHBondContact O-N 3.36Å
118L93.8Very high93.4Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-63.8-42.6170.7-67169.8000113Q114 A115 R120 M121 G122 L123 V128 F132 A437 E440Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.3Å; Q114-L118 VanDerWaalsContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 3.37Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.32Å; L118-M121 HydrophobicContact CD2-CE 3.91Å; L118-M121 HydrophobicContact CG-CE 4.48Å; L118-M121 WeakPolarHBondContact O-CB 3.39Å; L118-M121 PolarHBondContact O-N 3.04Å; L118-G122 PolarHBondContact O-N 2.97Å; L118-L123 HydrophobicContact CB-CD1 3.88Å; L118-L123 HydrophobicContact CD2-CD1 3.45Å; L118-L123 VanDerWaalsContact CD2-CD1 3.45Å; L118-L123 HydrophobicContact CG-CD1 4.22Å; L118-L123 WeakPolarHBondContact O-CB 3.46Å; L118-L123 PolarHBondContact O-N 3.29Å; L118-V128 HydrophobicContact CB-CG2 3.96Å; L118-V128 HydrophobicContact CD1-CG1 4.09Å; L118-V128 HydrophobicContact CD1-CG2 4.23Å; L118-F132 HydrophobicContact CD1-CE1 4.31Å; L118-A437 HydrophobicContact CD1-CB 4.19Å; L118-E440 HydrophobicContact CD1-CB 4.08Å; L118-E440 HydrophobicContact CD1-CG 4.05Å; L118-E440 HydrophobicContact CD2-CG 3.68Å; L118-E440 HydrophobicContact CG-CB 4.41Å; L118-E440 HydrophobicContact CG-CG 3.89Å
119L92.4Very high93.4Very high14 Ų1437.3 Ų37.37%0.07321%0.209CC..Hα-helixtrans-64.6-37.4176.6-68.3173.2000111.3V29 Y30 I33 A115 R116 M121 G122 L123 V125 L520V29-L119 HydrophobicContact CG1-CD1 3.64Å; Y30-L119 HydrophobicContact CE1-CB 4.21Å; I33-L119 HydrophobicContact CD1-CD1 4.26Å; A115-L119 VanDerWaalsContact O-CG 3.26Å; A115-L119 WeakPolarHBondContact O-CG 3.47Å; A115-L119 PolarHBondContact O-N 2.87Å; R116-L119 PolarHBondContact O-N 2.89Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.31Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.07Å; L119-L123 WeakPolarHBondContact CD2-O 3.09Å; L119-V125 HydrophobicContact CD2-CG2 3.8Å; L119-L520 HydrophobicContact CD1-CD2 4.37Å
120R92Very high93.4Very high158 Ų15839.2 Ų39.260%0.59622%0.221SC*.Hα-helixtrans-66.2-32.3173.4-74.3176.7174-179.7-3.6113.2Y30 R116 D117 L118 G122Y30-R120 HydrophobicContact CE1-CG 4.28Å; Y30-R120 WeakPolarHBondContact OH-CG 3.32Å; Y30-R120 PolarHBondContact OH-N 2.88Å; R116-R120 WeakPolarHBondContact O-CG 3.39Å; R116-R120 PolarHBondContact O-N 3.33Å; D117-R120 PolarHBondContact O-N 3.07Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.32Å; R120-G122 PolarHBondContact O-N 3.34Å
121M91.1Very high93.4Very high113 Ų11339 Ų3956%0.55722%0.22SC*.THydrogen-bonded Turntrans-69.3-11.6172.3-72.6-177.4-106.500113.1D117 L118 L119D117-M121 HydrophobicContact CB-CE 4.43Å; D117-M121 WeakPolarHBondContact O-CE 3.49Å; D117-M121 WeakPolarHBondContact O-CG 3.1Å; D117-M121 PolarHBondContact O-N 3.36Å; L118-M121 HydrophobicContact CD2-CE 3.91Å; L118-M121 HydrophobicContact CG-CE 4.48Å; L118-M121 WeakPolarHBondContact O-CB 3.39Å; L118-M121 PolarHBondContact O-N 3.04Å; L119-M121 VanDerWaalsContact C-N 3.32Å; L119-M121 PolarHBondContact O-N 3.31Å
122G90.4Very high93.4Very high66 Ų6639 Ų3968%0.6822%0.22SC*.THydrogen-bonded Turntrans97.511.5177.800000114.9L118 L119 R120L118-G122 PolarHBondContact O-N 2.97Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.07Å; R120-G122 PolarHBondContact O-N 3.34Å
123L91.9Very high93.4Very high18 Ų1842.4 Ų42.49%0.09424%0.236CC..  trans-70.2143.2172.1-76.5149.1000110.8L118 L119 Q127 V128 L433L118-L123 HydrophobicContact CB-CD1 3.88Å; L118-L123 HydrophobicContact CD2-CD1 3.45Å; L118-L123 VanDerWaalsContact CD2-CD1 3.45Å; L118-L123 HydrophobicContact CG-CD1 4.22Å; L118-L123 WeakPolarHBondContact O-CB 3.46Å; L118-L123 PolarHBondContact O-N 3.29Å; L119-L123 WeakPolarHBondContact CD2-O 3.09Å; L123-Q127 HydrophobicContact CD2-CB 4.4Å; L123-V128 HydrophobicContact CB-CG2 4.08Å; L123-L433 HydrophobicContact CD2-CB 3.9Å; L123-L433 HydrophobicContact CD2-CD2 4.38Å
124S92.2Very high93.4Very high52 Ų5242 Ų4236%0.36424%0.235SC..  trans-74.9150.3174.767.40000111.6A126 Q127 V128S124-A126 PolarHBondContact O-N 3.21Å; S124-Q127 VanDerWaalsContact N-OE1 3.11Å; S124-Q127 PolarHBondContact O-N 3.12Å; S124-Q127 WeakPolarHBondContact OG-CG 3.38Å; S124-Q127 PolarHBondContact OG-N 3.05Å; S124-Q127 PolarHBondContact OG-OE1 3.04Å; S124-V128 PolarHBondContact O-N 3.28Å; S124-V128 VanDerWaalsContact O-N 3.1Å
125V92.4Very high93.4Very high34 Ų3440.5 Ų40.521%0.20623%0.228CC..Hα-helixtrans-53.9-39.6175.2174.30000111.8L25 L119 Q127 V128 T129 L520L25-V125 HydrophobicContact CD2-CG2 3.93Å; L119-V125 HydrophobicContact CD2-CG2 3.8Å; V125-Q127 PolarHBondContact O-N 3.39Å; V125-V128 PolarHBondContact O-N 2.96Å; V125-T129 HydrophobicContact CG1-CG2 4.32Å; V125-T129 WeakPolarHBondContact O-CG2 3.28Å; V125-T129 PolarHBondContact O-N 2.92Å; V125-T129 PolarHBondContact O-OG1 3.28Å; V125-L520 HydrophobicContact CG1-CB 4.23Å; V125-L520 WeakPolarHBondContact CG1-O 3.46Å
126A92.6Very high93.5Very high68 Ų6841 Ų4156%0.56223%0.231SC*.Hα-helixtrans-62.1-41.7178.100000112.4S124 T129 S130S124-A126 PolarHBondContact O-N 3.21Å; A126-T129 PolarHBondContact O-OG1 3.43Å; A126-T129 VanDerWaalsContact O-OG1 3.05Å; A126-S130 WeakPolarHBondContact O-CB 3.42Å; A126-S130 PolarHBondContact O-N 2.69Å
127Q92.9Very high93.6Very high62 Ų6245.4 Ų45.429%0.2925%0.251SS..Hα-helixtrans-68.6-40.1177.7-72.3160.8-21.100112L123 S124 V125 G131L123-Q127 HydrophobicContact CD2-CB 4.4Å; S124-Q127 VanDerWaalsContact N-OE1 3.11Å; S124-Q127 PolarHBondContact O-N 3.12Å; S124-Q127 WeakPolarHBondContact OG-CG 3.38Å; S124-Q127 PolarHBondContact OG-N 3.05Å; S124-Q127 PolarHBondContact OG-OE1 3.04Å; V125-Q127 PolarHBondContact O-N 3.39Å; Q127-G131 PolarHBondContact O-N 3.21Å
128V94.5Very high93.7Very high1 Ų145.3 Ų45.31%0.00625%0.248CC..Hα-helixtrans-63.9-47.3177178.30000110.6A115 L118 L123 S124 V125 G131 F132 L520A115-V128 HydrophobicContact CB-CG1 4.04Å; L118-V128 HydrophobicContact CB-CG2 3.96Å; L118-V128 HydrophobicContact CD1-CG1 4.09Å; L118-V128 HydrophobicContact CD1-CG2 4.23Å; L123-V128 HydrophobicContact CB-CG2 4.08Å; S124-V128 PolarHBondContact O-N 3.28Å; S124-V128 VanDerWaalsContact O-N 3.1Å; V125-V128 PolarHBondContact O-N 2.96Å; V128-G131 PolarHBondContact O-N 3.3Å; V128-F132 HydrophobicContact CG1-CD1 4.44Å; V128-F132 HydrophobicContact CG1-CD2 4.24Å; V128-F132 HydrophobicContact CG1-CE1 4.12Å; V128-F132 HydrophobicContact CG1-CE2 3.9Å; V128-F132 HydrophobicContact CG1-CZ 3.83Å; V128-F132 WeakPolarHBondContact O-CG 3.48Å; V128-F132 PolarHBondContact O-N 2.91Å; V128-L520 HydrophobicContact CG1-CD1 4.06Å
129T94.6Very high93.8Very high7 Ų745.3 Ų45.34%0.04325%0.248CC..Hα-helixtrans-65.6-41.4-179.953.60000112.5V125 A126 F132 E133 N517 L520 R521V125-T129 HydrophobicContact CG1-CG2 4.32Å; V125-T129 WeakPolarHBondContact O-CG2 3.28Å; V125-T129 PolarHBondContact O-N 2.92Å; V125-T129 PolarHBondContact O-OG1 3.28Å; A126-T129 PolarHBondContact O-OG1 3.43Å; A126-T129 VanDerWaalsContact O-OG1 3.05Å; T129-F132 PolarHBondContact O-N 3.18Å; T129-E133 WeakPolarHBondContact O-CG 3.48Å; T129-E133 PolarHBondContact O-N 3.31Å; T129-N517 HydrophobicContact CG2-CB 4.39Å; T129-L520 HydrophobicContact CG2-CB 3.92Å; T129-L520 HydrophobicContact CG2-CD1 4.26Å; T129-R521 HydrophobicContact CG2-CG 4.23Å
130S94.4Very high94Very high41 Ų4145.9 Ų45.929%0.28725%0.251SS..Hα-helixtrans-59.5-47.2173.2-173.80000111.6A126 F132 E133 M134 E434A126-S130 WeakPolarHBondContact O-CB 3.42Å; A126-S130 PolarHBondContact O-N 2.69Å; S130-F132 PolarHBondContact O-N 3.37Å; S130-E133 PolarHBondContact O-N 3.07Å; S130-M134 WeakPolarHBondContact O-CG 3.39Å; S130-M134 PolarHBondContact O-N 3.22Å; S130-E434 VanDerWaalsContact CB-OE1 3.3Å; S130-E434 WeakPolarHBondContact CB-OE1 3.45Å; S130-E434 PolarHBondContact OG-OE1 2.88Å
131G94.3Very high94.2Very high0 Ų042.9 Ų42.90%024%0.244CC..Hα-helixtrans-61.7-39.6177.300000113.5Q127 V128 M134 G135Q127-G131 PolarHBondContact O-N 3.21Å; V128-G131 PolarHBondContact O-N 3.3Å; G131-M134 PolarHBondContact O-N 3.24Å; G131-G135 PolarHBondContact O-N 3.29Å
132F96Very high94.3Very high0 Ų037.8 Ų37.80%022%0.219CC..Hα-helixtrans-67-38.1174.8-74.91.3000112.6L111 A115 L118 V128 T129 S130 G135 C136 A437 F441 L520L111-F132 HydrophobicContact CB-CE2 4.18Å; L111-F132 HydrophobicContact CD2-CE2 4.28Å; L111-F132 HydrophobicContact CD2-CZ 4.24Å; A115-F132 HydrophobicContact CB-CE2 4.03Å; A115-F132 HydrophobicContact CB-CZ 4.07Å; L118-F132 HydrophobicContact CD1-CE1 4.31Å; V128-F132 HydrophobicContact CG1-CD1 4.44Å; V128-F132 HydrophobicContact CG1-CD2 4.24Å; V128-F132 HydrophobicContact CG1-CE1 4.12Å; V128-F132 HydrophobicContact CG1-CE2 3.9Å; V128-F132 HydrophobicContact CG1-CZ 3.83Å; V128-F132 WeakPolarHBondContact O-CG 3.48Å; V128-F132 PolarHBondContact O-N 2.91Å; T129-F132 PolarHBondContact O-N 3.18Å; S130-F132 PolarHBondContact O-N 3.37Å; F132-G135 PolarHBondContact O-N 3.26Å; F132-C136 VanDerWaalsContact O-CB 3.28Å; F132-C136 WeakPolarHBondContact O-CB 3.29Å; F132-C136 PolarHBondContact O-N 3.35Å; F132-A437 HydrophobicContact CD1-CB 4.37Å; F132-A437 HydrophobicContact CE1-CB 4.5Å; F132-A437 WeakPolarHBondContact CE1-O 3.31Å; F132-F441 HydrophobicContact CB-CD2 4.19Å; F132-F441 HydrophobicContact CD1-CB 3.92Å; F132-F441 AromaticContact CD1-CD2 3.82Å; F132-F441 HydrophobicContact CD1-CD2 3.82Å; F132-F441 HydrophobicContact CD1-CG 4.32Å; F132-F441 HydrophobicContact CE1-CB 4.1Å; F132-F441 HydrophobicContact CE1-CD2 4.37Å; F132-F441 HydrophobicContact CG-CD2 4.03Å; F132-L520 HydrophobicContact CD2-CD1 4.23Å; F132-L520 HydrophobicContact CE2-CD1 3.98Å
133E95.6Very high94.5Very high71 Ų7134.7 Ų34.733%0.33219%0.187SC..Hα-helixtrans-64.6-41.7174.8-73.1-177.2-175.600112T129 S130 C136 K137 N517 R521T129-E133 WeakPolarHBondContact O-CG 3.48Å; T129-E133 PolarHBondContact O-N 3.31Å; S130-E133 PolarHBondContact O-N 3.07Å; E133-C136 PolarHBondContact O-N 2.89Å; E133-K137 WeakPolarHBondContact O-CG 3.44Å; E133-K137 PolarHBondContact O-N 2.72Å; E133-K137 VanDerWaalsContact O-N 3.08Å; E133-N517 VanDerWaalsContact CG-ND2 3.32Å; E133-N517 WeakPolarHBondContact CG-ND2 3.39Å; E133-R521 IonicContact OE1-CZ 2.76Å; E133-R521 IonicContact OE1-NH1 3.68Å; E133-R521 IonicContact OE1-NH2 3.66Å; E133-R521 PolarHBondContact OE1-NH2 3.33Å
134M94.7Very high94.5Very high45 Ų4537.6 Ų37.622%0.22220%0.202CC..Hα-helixtrans-66.5-43.6175.1-69.1-166.5-66.900112.3S130 G131 C136 K137 K138 E434 I438S130-M134 WeakPolarHBondContact O-CG 3.39Å; S130-M134 PolarHBondContact O-N 3.22Å; G131-M134 PolarHBondContact O-N 3.24Å; M134-C136 VanDerWaalsContact C-N 3.3Å; M134-C136 PolarHBondContact O-N 3.36Å; M134-K137 PolarHBondContact O-N 3.34Å; M134-K138 PolarHBondContact O-N 2.87Å; M134-K138 VanDerWaalsContact O-N 3.11Å; M134-E434 HydrophobicContact CE-CB 3.37Å; M134-E434 HydrophobicContact CE-CG 3.76Å; M134-E434 WeakPolarHBondContact CE-OE2 3.15Å; M134-I438 HydrophobicContact CB-CD1 4.5Å; M134-I438 HydrophobicContact CE-CD1 4.08Å
135G95Very high94.6Very high0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-58.4-42.8174.400000111.8G131 F132 K138 A139 F441G131-G135 PolarHBondContact O-N 3.29Å; F132-G135 PolarHBondContact O-N 3.26Å; G135-K138 PolarHBondContact O-N 3.43Å; G135-A139 VanDerWaalsContact O-CB 3.31Å; G135-A139 WeakPolarHBondContact O-CB 3.4Å; G135-A139 PolarHBondContact O-N 3.43Å; G135-F441 WeakPolarHBondContact O-CE1 3.38Å
136C96Very high94.5Very high10 Ų1040 Ų407%0.06821%0.206CC..Hα-helixtrans-60.7-51176.6-174.20000112.1F132 E133 M134 K138 A139 L140 F441 T513F132-C136 VanDerWaalsContact O-CB 3.28Å; F132-C136 WeakPolarHBondContact O-CB 3.29Å; F132-C136 PolarHBondContact O-N 3.35Å; E133-C136 PolarHBondContact O-N 2.89Å; M134-C136 VanDerWaalsContact C-N 3.3Å; M134-C136 PolarHBondContact O-N 3.36Å; C136-K138 VanDerWaalsContact C-N 3.31Å; C136-K138 PolarHBondContact O-N 2.96Å; C136-A139 WeakPolarHBondContact O-CB 3.04Å; C136-A139 PolarHBondContact O-N 3.09Å; C136-A139 VanDerWaalsContact O-N 3.13Å; C136-L140 WeakPolarHBondContact O-CG 3.34Å; C136-L140 PolarHBondContact O-N 3.17Å; C136-F441 HydrophobicContact CB-CZ 4.15Å; C136-T513 HydrophobicContact CB-CG2 3.73Å; C136-T513 PolarHBondContact SG-OG1 3.04Å
137K96.3Very high94.4Very high139 Ų13938.5 Ų38.560%0.60419%0.19SC*.Hα-helixtrans-56-46.8178.4-72.4174.5-176.1173.10111.4E133 M134 A139 L140 E141E133-K137 WeakPolarHBondContact O-CG 3.44Å; E133-K137 PolarHBondContact O-N 2.72Å; E133-K137 VanDerWaalsContact O-N 3.08Å; M134-K137 PolarHBondContact O-N 3.34Å; K137-A139 PolarHBondContact O-N 2.94Å; K137-L140 PolarHBondContact O-N 2.91Å; K137-E141 PolarHBondContact O-N 2.83Å; K137-E141 VanDerWaalsContact O-N 3.14Å
138K95.5Very high94.2Very high52 Ų5238 Ų3823%0.22619%0.191CC..Hα-helixtrans-65.5-38.9178.1-166.572.9-154.4158.10112.4M134 G135 C136 L140 E141 I142 L423 Y426M134-K138 PolarHBondContact O-N 2.87Å; M134-K138 VanDerWaalsContact O-N 3.11Å; G135-K138 PolarHBondContact O-N 3.43Å; C136-K138 VanDerWaalsContact C-N 3.31Å; C136-K138 PolarHBondContact O-N 2.96Å; K138-L140 VanDerWaalsContact C-N 3.32Å; K138-L140 PolarHBondContact O-N 3.27Å; K138-E141 IonicContact NZ-OE2 2.62Å; K138-E141 PolarHBondContact NZ-OE2 3.11Å; K138-E141 PolarHBondContact O-N 3.49Å; K138-I142 HydrophobicContact CG-CD1 3.92Å; K138-I142 WeakPolarHBondContact O-CD1 3.36Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.42Å; K138-I142 PolarHBondContact O-N 2.98Å; K138-L423 HydrophobicContact CB-CD2 4.01Å; K138-L423 HydrophobicContact CG-CD2 4.12Å; K138-Y426 HydrophobicContact CB-CD1 4.11Å; K138-Y426 HydrophobicContact CB-CE1 4.01Å; K138-Y426 HydrophobicContact CD-CD1 4.43Å; K138-Y426 HydrophobicContact CD-CD2 3.97Å; K138-Y426 HydrophobicContact CD-CE1 4.38Å; K138-Y426 HydrophobicContact CD-CE2 3.91Å; K138-Y426 HydrophobicContact CD-CG 4.24Å; K138-Y426 HydrophobicContact CG-CD1 3.8Å; K138-Y426 HydrophobicContact CG-CD2 4.12Å; K138-Y426 HydrophobicContact CG-CE1 4.02Å; K138-Y426 HydrophobicContact CG-CE2 4.32Å; K138-Y426 HydrophobicContact CG-CG 3.85Å
139A95.8Very high93.7Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-61.5-41.1176.900000111.7G135 C136 K137 I142 L143 L419 L423 F441 F445G135-A139 VanDerWaalsContact O-CB 3.31Å; G135-A139 WeakPolarHBondContact O-CB 3.4Å; G135-A139 PolarHBondContact O-N 3.43Å; C136-A139 WeakPolarHBondContact O-CB 3.04Å; C136-A139 PolarHBondContact O-N 3.09Å; C136-A139 VanDerWaalsContact O-N 3.13Å; K137-A139 PolarHBondContact O-N 2.94Å; A139-I142 PolarHBondContact O-N 3.47Å; A139-L143 VanDerWaalsContact O-CB 3.27Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.07Å; A139-L419 HydrophobicContact CB-CD2 4.43Å; A139-L419 WeakPolarHBondContact O-CD2 3.33Å; A139-L423 HydrophobicContact CB-CD1 3.94Å; A139-L423 HydrophobicContact CB-CD2 4.23Å; A139-F441 HydrophobicContact CB-CE1 4.23Å; A139-F445 HydrophobicContact CB-CZ 4.16Å
140L95.4Very high93.3Very high26 Ų2645.2 Ų45.214%0.13623%0.227CC..Hα-helixtrans-68-37.4177.6-63178.7000112.3C136 K137 K138 L143 N144 I509C136-L140 WeakPolarHBondContact O-CG 3.34Å; C136-L140 PolarHBondContact O-N 3.17Å; K137-L140 PolarHBondContact O-N 2.91Å; K138-L140 VanDerWaalsContact C-N 3.32Å; K138-L140 PolarHBondContact O-N 3.27Å; L140-L143 PolarHBondContact O-N 3.5Å; L140-N144 PolarHBondContact O-N 3.36Å; L140-N144 PolarHBondContact O-ND2 2.91Å; L140-I509 HydrophobicContact CD2-CB 4.26Å; L140-I509 HydrophobicContact CD2-CG2 4.27Å
141E95.6Very high92.6Very high96 Ų9643.7 Ų43.745%0.44922%0.216SC..Hα-helixtrans-61-50.7171.8-70.8170.9-166.600111.3K137 K138 L143 N144 E145K137-E141 PolarHBondContact O-N 2.83Å; K137-E141 VanDerWaalsContact O-N 3.14Å; K138-E141 IonicContact NZ-OE2 2.62Å; K138-E141 PolarHBondContact NZ-OE2 3.11Å; K138-E141 PolarHBondContact O-N 3.49Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.32Å; E141-N144 WeakPolarHBondContact O-CB 3.32Å; E141-N144 PolarHBondContact O-N 3.39Å; E141-N144 VanDerWaalsContact O-N 3.14Å; E141-E145 PolarHBondContact O-N 2.95Å
142I94.6Very high91.6Very high6 Ų649.7 Ų49.73%0.03126%0.257CS..Hα-helixtrans-60.7-41.4178.7-67.7162.3000110.6K138 A139 N144 E145 L146 L419 R422 L423K138-I142 HydrophobicContact CG-CD1 3.92Å; K138-I142 WeakPolarHBondContact O-CD1 3.36Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.42Å; K138-I142 PolarHBondContact O-N 2.98Å; A139-I142 PolarHBondContact O-N 3.47Å; I142-N144 PolarHBondContact O-N 3.05Å; I142-E145 WeakPolarHBondContact O-CA 3.34Å; I142-E145 WeakPolarHBondContact O-CB 3.47Å; I142-E145 PolarHBondContact O-N 2.96Å; I142-L146 HydrophobicContact CG2-CD1 3.9Å; I142-L146 HydrophobicContact CG2-CG 4.14Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.1Å; I142-L146 VanDerWaalsContact O-N 3.14Å; I142-L419 HydrophobicContact CB-CD2 3.91Å; I142-L419 HydrophobicContact CG2-CD2 3.62Å; I142-R422 HydrophobicContact CD1-CB 3.76Å; I142-R422 HydrophobicContact CG2-CB 4.34Å; I142-L423 HydrophobicContact CD1-CD2 4.07Å; I142-L423 HydrophobicContact CD1-CG 4.27Å
143L93.9Very high90.9Very high0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-60.2-31.2179.4-175.766.8000112.3A139 L140 E141 E145 L146 V409 L419 H502 K505 H506 I509A139-L143 VanDerWaalsContact O-CB 3.27Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.07Å; L140-L143 PolarHBondContact O-N 3.5Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.32Å; L143-E145 VanDerWaalsContact C-N 3.31Å; L143-L146 PolarHBondContact O-N 3.22Å; L143-V409 HydrophobicContact CD1-CG1 4.28Å; L143-L419 HydrophobicContact CB-CD2 4.46Å; L143-L419 HydrophobicContact CD1-CD1 4.4Å; L143-H502 PolarHBondContact O-CE1 2.86Å; L143-H502 PolarHBondContact O-ND1 3.41Å; L143-K505 HydrophobicContact CD1-CB 4.25Å; L143-K505 HydrophobicContact CD2-CB 3.88Å; L143-H506 HydrophobicContact CD2-CB 4.13Å; L143-I509 HydrophobicContact CD2-CD1 4.26Å
144N93.3Very high90.2Very high80 Ų8052.2 Ų52.243%0.42827%0.273SS..Hα-helixtrans-69.2-29.5173.9-66.7-39000112.5L140 E141 I142 V147 H502L140-N144 PolarHBondContact O-N 3.36Å; L140-N144 PolarHBondContact O-ND2 2.91Å; E141-N144 WeakPolarHBondContact O-CB 3.32Å; E141-N144 PolarHBondContact O-N 3.39Å; E141-N144 VanDerWaalsContact O-N 3.14Å; I142-N144 PolarHBondContact O-N 3.05Å; N144-V147 WeakPolarHBondContact O-CG2 3.42Å; N144-H502 PolarHBondContact OD1-CE1 3.24Å; N144-H502 PolarHBondContact OD1-NE2 2.98Å
145E93.3Very high89.6Confident122 Ų12256.3 Ų56.357%0.5729%0.286SS*.Hα-helixtrans-79.6-22.7177.5-59.5171.6-178.700112.6E141 I142 L143 V147 R422E141-E145 PolarHBondContact O-N 2.95Å; I142-E145 WeakPolarHBondContact O-CA 3.34Å; I142-E145 WeakPolarHBondContact O-CB 3.47Å; I142-E145 PolarHBondContact O-N 2.96Å; L143-E145 VanDerWaalsContact C-N 3.31Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 3.11Å; E145-R422 IonicContact OE2-NH1 2.68Å; E145-R422 PolarHBondContact OE2-NH1 3.37Å
146L90.9Very high89.1Confident14 Ų1458.5 Ų58.57%0.07330%0.301CS..THydrogen-bonded Turntrans-85.37.7-177.2-66.2178.5000114.3I142 L143 V148 E418 L419 R422 I476I142-L146 HydrophobicContact CG2-CD1 3.9Å; I142-L146 HydrophobicContact CG2-CG 4.14Å; I142-L146 WeakPolarHBondContact O-CG 3.48Å; I142-L146 PolarHBondContact O-N 3.1Å; I142-L146 VanDerWaalsContact O-N 3.14Å; L143-L146 PolarHBondContact O-N 3.22Å; L146-V148 PolarHBondContact O-N 3.31Å; L146-E418 HydrophobicContact CD1-CB 4.24Å; L146-E418 HydrophobicContact CD1-CG 3.95Å; L146-E418 HydrophobicContact CD2-CG 3.57Å; L146-E418 HydrophobicContact CG-CG 4.42Å; L146-L419 HydrophobicContact CD1-CD2 4.21Å; L146-L419 HydrophobicContact CD1-CG 4.14Å; L146-R422 VanDerWaalsContact CD2-NH2 3.31Å; L146-I476 HydrophobicContact CD2-CG2 4.05Å
147V90.9Very high88.8Confident37 Ų3761.8 Ų61.822%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-68.3125.4179.9178.40000109.6N144 E145 D150 K407 L408 V409N144-V147 WeakPolarHBondContact O-CG2 3.42Å; E145-V147 VanDerWaalsContact C-N 3.27Å; E145-V147 PolarHBondContact O-N 3.11Å; V147-D150 VanDerWaalsContact CG1-OD1 3.3Å; V147-D150 WeakPolarHBondContact CG1-OD1 3.43Å; V147-K407 HydrophobicContact CG1-CB 3.94Å; V147-K407 HydrophobicContact CG1-CD 4.38Å; V147-K407 HydrophobicContact CG1-CG 4.46Å; V147-K407 HydrophobicContact CG2-CB 4.34Å; V147-K407 HydrophobicContact CG2-CD 4.2Å; V147-L408 WeakPolarHBondContact CA-O 3.05Å; V147-V409 HydrophobicContact CG2-CG1 4.31Å
148V86.9Confident88.4Confident50 Ų5063 Ų6330%0.30332%0.318SS..EExtended strand (participates in β ladder)trans-89.8-46.1-175.9-176.90000111.1L146 L408 A410 V494L146-V148 PolarHBondContact O-N 3.31Å; V148-L408 PolarHBondContact N-O 3Å; V148-A410 HydrophobicContact CG2-CB 4.33Å; V148-V494 HydrophobicContact CG1-CG1 4.3Å; V148-V494 HydrophobicContact CG1-CG2 3.92Å; V148-V494 HydrophobicContact CG2-CG2 4.38Å
149E85.3Confident88Confident67 Ų6761.6 Ų61.631%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-142.2135.9-173.8-172.1179.2171.800109.9L151 R162 L408E149-L151 HydrophobicContact CG-CD2 4.49Å; E149-L151 WeakPolarHBondContact OE1-CD2 3.25Å; E149-R162 IonicContact OE1-NH2 3.29Å; E149-R162 PolarHBondContact OE1-NH2 3.35Å; E149-R162 IonicContact OE2-CZ 2.67Å; E149-R162 IonicContact OE2-NH1 3.6Å; E149-R162 IonicContact OE2-NH2 2.65Å; E149-R162 PolarHBondContact OE2-NH2 3.36Å; E149-L408 PolarHBondContact O-N 2.99Å
150D85.1Confident87.6Confident94 Ų9461.7 Ų61.750%0.50332%0.315SS..EExtended strand (participates in β ladder)trans-104.9111.6169.1-76.6-13000108.9V147 S152 P406 K407V147-D150 VanDerWaalsContact CG1-OD1 3.3Å; V147-D150 WeakPolarHBondContact CG1-OD1 3.43Å; D150-S152 PolarHBondContact O-N 2.91Å; D150-P406 WeakPolarHBondContact CA-O 3.29Å; D150-K407 VanDerWaalsContact OD1-CG 3.26Å; D150-K407 WeakPolarHBondContact OD1-CG 3.42Å
151L80.1Confident87.5Confident9 Ų961.9 Ų61.95%0.04732%0.316CS..  trans-75.585.9179.5-72.1179.9000111.4E149 D153 V163 L402 P406 L408E149-L151 HydrophobicContact CG-CD2 4.49Å; E149-L151 WeakPolarHBondContact OE1-CD2 3.25Å; L151-D153 VanDerWaalsContact C-N 3.27Å; L151-D153 PolarHBondContact O-N 3.22Å; L151-V163 HydrophobicContact CD1-CG2 3.92Å; L151-L402 HydrophobicContact CD1-CD2 3.86Å; L151-P406 HydrophobicContact CB-CB 3.93Å; L151-P406 PolarHBondContact N-O 3.27Å; L151-P406 WeakPolarHBondContact O-CB 3.49Å; L151-L408 HydrophobicContact CD1-CD1 3.74Å; L151-L408 HydrophobicContact CD1-CD2 4.45Å; L151-L408 HydrophobicContact CD1-CG 4.25Å; L151-L408 HydrophobicContact CD2-CD1 4.43Å; L151-L408 HydrophobicContact CG-CD1 3.86Å; L151-L408 HydrophobicContact CG-CG 4.33Å
152S74Confident87.1Confident125 Ų12559.8 Ų59.887%0.87430%0.304SS*.  trans-60.3-33.3178540000114D150D150-S152 PolarHBondContact O-N 2.91Å
153D80.4Confident86.9Confident89 Ų8959.6 Ų59.648%0.47630%0.303SS..  trans-118.2102.9-176.9-163.1-2000112.9L151 R155 C156L151-D153 VanDerWaalsContact C-N 3.27Å; L151-D153 PolarHBondContact O-N 3.22Å; D153-R155 PolarHBondContact O-N 3.47Å; D153-R155 WeakPolarHBondContact OD1-CB 3.2Å; D153-R155 PolarHBondContact OD1-N 3.4Å; D153-R155 VanDerWaalsContact OD1-N 3.11Å; D153-C156 PolarHBondContact O-N 3.5Å
154I82Confident86.8Confident36 Ų3659.6 Ų59.619%0.18530%0.303CS..THydrogen-bonded Turntrans-75.5-12.8-179.2-52.5-177.3000111.4C156 V160 L191 F399 T403I154-C156 VanDerWaalsContact C-N 3.33Å; I154-V160 VanDerWaalsContact O-CG2 3.24Å; I154-V160 WeakPolarHBondContact O-CG2 3.24Å; I154-L191 HydrophobicContact CG2-CD2 4.48Å; I154-F399 HydrophobicContact CG2-CE2 3.59Å; I154-F399 HydrophobicContact CG2-CZ 3.63Å; I154-T403 HydrophobicContact CD1-CG2 4.46Å; I154-T403 HydrophobicContact CG2-CG2 4.39Å
155R81.1Confident86.7Confident130 Ų13058.5 Ų58.549%0.49129%0.294SS..THydrogen-bonded Turntrans-83.6-11.7176.5-65.8-178.2175.3179.6-0.4113D153 Y157 L191D153-R155 PolarHBondContact O-N 3.47Å; D153-R155 WeakPolarHBondContact OD1-CB 3.2Å; D153-R155 PolarHBondContact OD1-N 3.4Å; D153-R155 VanDerWaalsContact OD1-N 3.11Å; R155-Y157 PolarHBondContact O-N 3.31Å; R155-Y157 VanDerWaalsContact O-N 3.11Å; R155-L191 HydrophobicContact CG-CD2 3.95Å
156C85.3Confident86.4Confident47 Ų4753.6 Ų53.632%0.31827%0.272SS..  trans-72109.2179.5-173.60000110.9D153 I154 K158 S159 V160D153-C156 PolarHBondContact O-N 3.5Å; I154-C156 VanDerWaalsContact C-N 3.33Å; C156-K158 VanDerWaalsContact C-N 3.28Å; C156-K158 PolarHBondContact O-N 2.96Å; C156-S159 VanDerWaalsContact CB-OG 3.31Å; C156-S159 WeakPolarHBondContact CB-OG 3.26Å; C156-S159 PolarHBondContact O-N 3.4Å; C156-S159 PolarHBondContact SG-OG 3.25Å; C156-V160 PolarHBondContact O-N 3.35Å
157Y88.3Confident86.3Confident78 Ų7853.1 Ų53.131%0.30627%0.27SS..Hα-helixtrans-51-44.9-179.1-176.1-101.7000113.3R155 L161 K181 T184 K185 I188R155-Y157 PolarHBondContact O-N 3.31Å; R155-Y157 VanDerWaalsContact O-N 3.11Å; Y157-L161 HydrophobicContact CD1-CD1 4.43Å; Y157-L161 HydrophobicContact CE1-CD1 3.65Å; Y157-L161 WeakPolarHBondContact O-CB 3.24Å; Y157-L161 PolarHBondContact O-N 3.18Å; Y157-L161 VanDerWaalsContact O-N 3.08Å; Y157-K181 WeakPolarHBondContact OH-CA 3.31Å; Y157-K181 WeakPolarHBondContact OH-CB 2.99Å; Y157-K181 WeakPolarHBondContact OH-CG 3.2Å; Y157-K181 PolarHBondContact OH-O 2.88Å; Y157-T184 HydrophobicContact CD2-CG2 3.62Å; Y157-T184 HydrophobicContact CE2-CG2 3.65Å; Y157-T184 HydrophobicContact CG-CG2 4.43Å; Y157-K185 HydrophobicContact CD2-CG 4.43Å; Y157-K185 HydrophobicContact CE2-CG 3.56Å; Y157-I188 HydrophobicContact CD2-CD1 3.95Å
158K88.6Confident86.3Confident166 Ų16651.3 Ų51.372%0.72226%0.26SS*.Hα-helixtrans-67.8-43.1-176.1-68.5-175.6178.3-179.80111.7C156 L161 R162C156-K158 VanDerWaalsContact C-N 3.28Å; C156-K158 PolarHBondContact O-N 2.96Å; K158-L161 PolarHBondContact O-N 3.22Å; K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.37Å
159S86.5Confident86.4Confident22 Ų2250.3 Ų50.315%0.15425%0.252CS..Hα-helixtrans-65.9-45.3-175.8-35.30000111.5C156 R162C156-S159 VanDerWaalsContact CB-OG 3.31Å; C156-S159 WeakPolarHBondContact CB-OG 3.26Å; C156-S159 PolarHBondContact O-N 3.4Å; C156-S159 PolarHBondContact SG-OG 3.25Å; S159-R162 PolarHBondContact O-N 3.48Å
160V89.1Confident86.3Confident1 Ų148.9 Ų48.91%0.00625%0.25CC..Hα-helixtrans-67.8-40179.5176.70000111.5I154 C156 R162 V163 I164 T184 F399I154-V160 VanDerWaalsContact O-CG2 3.24Å; I154-V160 WeakPolarHBondContact O-CG2 3.24Å; C156-V160 PolarHBondContact O-N 3.35Å; V160-R162 PolarHBondContact O-N 3.21Å; V160-V163 PolarHBondContact O-N 3.39Å; V160-V163 VanDerWaalsContact O-N 3.1Å; V160-I164 HydrophobicContact CG1-CD1 3.49Å; V160-I164 VanDerWaalsContact CG1-CD1 3.49Å; V160-I164 HydrophobicContact CG1-CG1 3.94Å; V160-I164 PolarHBondContact O-N 2.9Å; V160-T184 HydrophobicContact CB-CG2 3.98Å; V160-T184 HydrophobicContact CG1-CG2 3.81Å; V160-F399 HydrophobicContact CB-CE2 4.49Å; V160-F399 HydrophobicContact CG1-CD2 3.51Å; V160-F399 HydrophobicContact CG1-CE2 3.63Å; V160-F399 HydrophobicContact CG2-CE2 4.03Å
161L91.9Very high86.3Confident30 Ų3045.2 Ų45.216%0.15723%0.229CC..Hα-helixtrans-56.4-41179.8-176156.3000111.5Y157 K158 V163 I164 K165 K181 T184Y157-L161 HydrophobicContact CD1-CD1 4.43Å; Y157-L161 HydrophobicContact CE1-CD1 3.65Å; Y157-L161 WeakPolarHBondContact O-CB 3.24Å; Y157-L161 PolarHBondContact O-N 3.18Å; Y157-L161 VanDerWaalsContact O-N 3.08Å; K158-L161 PolarHBondContact O-N 3.22Å; L161-V163 VanDerWaalsContact C-N 3.32Å; L161-V163 PolarHBondContact O-N 3.28Å; L161-I164 PolarHBondContact O-N 3.2Å; L161-K165 WeakPolarHBondContact O-CB 3.5Å; L161-K165 PolarHBondContact O-N 3.23Å; L161-K181 HydrophobicContact CD1-CG 3.72Å; L161-T184 HydrophobicContact CB-CG2 4.35Å
162R88.5Confident86.4Confident53 Ų5346.5 Ų46.520%0.224%0.235CC..Hα-helixtrans-57.4-44.9178-64-178.6-57.4173.47.5111.9E149 K158 S159 V160 T166 E497E149-R162 IonicContact OE1-NH2 3.29Å; E149-R162 PolarHBondContact OE1-NH2 3.35Å; E149-R162 IonicContact OE2-CZ 2.67Å; E149-R162 IonicContact OE2-NH1 3.6Å; E149-R162 IonicContact OE2-NH2 2.65Å; E149-R162 PolarHBondContact OE2-NH2 3.36Å; K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.37Å; S159-R162 PolarHBondContact O-N 3.48Å; V160-R162 PolarHBondContact O-N 3.21Å; R162-T166 PolarHBondContact O-N 3.4Å; R162-E497 HydrophobicContact CB-CB 4.39Å; R162-E497 WeakPolarHBondContact CD-OE1 3.47Å; R162-E497 HydrophobicContact CG-CB 4.22Å; R162-E497 HydrophobicContact CG-CG 4.39Å; R162-E497 WeakPolarHBondContact CG-OE2 3.47Å
163V89.2Confident86.8Confident1 Ų143.3 Ų43.31%0.00621%0.21CC..Hα-helixtrans-75.4-40.7-177.7-172.60000111.9L151 V160 L161 K165 T166 T398 L402 L408 L501L151-V163 HydrophobicContact CD1-CG2 3.92Å; V160-V163 PolarHBondContact O-N 3.39Å; V160-V163 VanDerWaalsContact O-N 3.1Å; L161-V163 VanDerWaalsContact C-N 3.32Å; L161-V163 PolarHBondContact O-N 3.28Å; V163-K165 VanDerWaalsContact C-N 3.27Å; V163-K165 PolarHBondContact O-N 3.48Å; V163-T166 PolarHBondContact O-N 3.29Å; V163-T166 PolarHBondContact O-OG1 3.06Å; V163-T398 HydrophobicContact CG1-CG2 3.96Å; V163-L402 HydrophobicContact CB-CD1 3.99Å; V163-L402 HydrophobicContact CG1-CD1 3.84Å; V163-L402 HydrophobicContact CG1-CD2 4.27Å; V163-L402 HydrophobicContact CG1-CG 4.27Å; V163-L402 HydrophobicContact CG2-CD1 4.44Å; V163-L408 HydrophobicContact CG1-CD2 4.03Å; V163-L408 HydrophobicContact CG2-CD1 3.62Å; V163-L408 HydrophobicContact CG2-CD2 3.69Å; V163-L408 HydrophobicContact CG2-CG 4.32Å; V163-L501 HydrophobicContact CG1-CD2 4.15Å; V163-L501 HydrophobicContact CG1-CG 4.22Å
164I91.5Very high87Confident0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-67.7-34.9177.1-65.5-177.4000110.3V160 L161 T166 A167 V168 I183 F399V160-I164 HydrophobicContact CG1-CD1 3.49Å; V160-I164 VanDerWaalsContact CG1-CD1 3.49Å; V160-I164 HydrophobicContact CG1-CG1 3.94Å; V160-I164 PolarHBondContact O-N 2.9Å; L161-I164 PolarHBondContact O-N 3.2Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 2.95Å; I164-A167 PolarHBondContact O-N 3.33Å; I164-V168 HydrophobicContact CG2-CG2 4.12Å; I164-V168 WeakPolarHBondContact O-CG2 3.33Å; I164-V168 PolarHBondContact O-N 3.4Å; I164-V168 VanDerWaalsContact O-N 3.08Å; I164-I183 HydrophobicContact CD1-CG2 4.15Å; I164-I183 HydrophobicContact CG2-CB 4.16Å; I164-I183 HydrophobicContact CG2-CD1 4.36Å; I164-I183 HydrophobicContact CG2-CG2 4Å; I164-F399 HydrophobicContact CD1-CB 4.18Å; I164-F399 HydrophobicContact CD1-CD2 4.17Å
165K91.5Very high87.2Confident58 Ų5842.6 Ų42.625%0.25223%0.225SC..Hα-helixtrans-59.3-39.1177.5178.2172.8170.8166.80111.9L161 V163 M169 D177L161-K165 WeakPolarHBondContact O-CB 3.5Å; L161-K165 PolarHBondContact O-N 3.23Å; V163-K165 VanDerWaalsContact C-N 3.27Å; V163-K165 PolarHBondContact O-N 3.48Å; K165-M169 WeakPolarHBondContact O-CB 3.38Å; K165-M169 PolarHBondContact O-N 3.44Å; K165-D177 WeakPolarHBondContact CE-OD1 3.28Å; K165-D177 IonicContact NZ-OD1 3.78Å; K165-D177 PolarHBondContact NZ-OD1 2.8Å; K165-D177 IonicContact NZ-OD2 3.67Å
166T88.5Confident87.4Confident18 Ų1836.6 Ų36.611%0.1120%0.203CC..Hα-helixtrans-67.4-44.8179.654.20000112.7R162 V163 I164 V168 M169 S170 V498 L499R162-T166 PolarHBondContact O-N 3.4Å; V163-T166 PolarHBondContact O-N 3.29Å; V163-T166 PolarHBondContact O-OG1 3.06Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 2.95Å; T166-V168 PolarHBondContact O-N 2.93Å; T166-M169 PolarHBondContact O-N 3.01Å; T166-S170 PolarHBondContact O-N 3.42Å; T166-V498 HydrophobicContact CG2-CB 4.36Å; T166-V498 HydrophobicContact CG2-CG1 4.1Å; T166-L499 WeakPolarHBondContact CB-O 3.35Å; T166-L499 WeakPolarHBondContact CG2-O 3.39Å; T166-L499 PolarHBondContact OG1-O 3.23Å
167A88.4Confident87.7Confident4 Ų438.2 Ų38.23%0.03321%0.208CC..Hα-helixtrans-58.3-48.2175.900000111.4I164 S170 T398I164-A167 PolarHBondContact O-N 3.33Å; A167-S170 PolarHBondContact O-N 2.84Å; A167-S170 PolarHBondContact O-OG 3.48Å; A167-T398 HydrophobicContact CB-CG2 4.2Å; A167-T398 WeakPolarHBondContact CB-OG1 3.27Å
168V90.4Very high87.9Confident0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-69.7-38.1179.8-179.90000111.8I164 T166 S170 K171 Q172 A176 L179 I183 A391I164-V168 HydrophobicContact CG2-CG2 4.12Å; I164-V168 WeakPolarHBondContact O-CG2 3.33Å; I164-V168 PolarHBondContact O-N 3.4Å; I164-V168 VanDerWaalsContact O-N 3.08Å; T166-V168 PolarHBondContact O-N 2.93Å; V168-S170 PolarHBondContact O-N 3.46Å; V168-K171 PolarHBondContact O-N 3.31Å; V168-Q172 PolarHBondContact O-N 2.99Å; V168-A176 HydrophobicContact CG1-CB 4.37Å; V168-L179 HydrophobicContact CG1-CB 3.99Å; V168-L179 HydrophobicContact CG1-CD1 4.15Å; V168-I183 HydrophobicContact CG2-CD1 3.74Å; V168-A391 HydrophobicContact CG1-CB 4.46Å
169M88.1Confident88.1Confident29 Ų2929.4 Ų29.414%0.14317%0.172CC..Hα-helixtrans-63-29.5-179.9-177.4174.4178.400112.2K165 T166 K171 V173 A176 T482K165-M169 WeakPolarHBondContact O-CB 3.38Å; K165-M169 PolarHBondContact O-N 3.44Å; T166-M169 PolarHBondContact O-N 3.01Å; M169-K171 PolarHBondContact O-N 3.44Å; M169-V173 WeakPolarHBondContact O-CG2 3.49Å; M169-A176 HydrophobicContact CB-CB 4.02Å; M169-T482 WeakPolarHBondContact CE-O 3.37Å
170S84.6Confident88.3Confident37 Ų3728.4 Ų28.426%0.25917%0.165SC..Hα-helixtrans-63.3-26.5174.679.30000113.2G48 T166 A167 V168G48-S170 CarbonylContact C-O 3.4Å; T166-S170 PolarHBondContact O-N 3.42Å; A167-S170 PolarHBondContact O-N 2.84Å; A167-S170 PolarHBondContact O-OG 3.48Å; V168-S170 PolarHBondContact O-N 3.46Å
171K83.8Confident88.6Confident17 Ų1733.3 Ų33.37%0.07419%0.186CC..Hα-helixtrans-102.7-46-179.3-65.6-174.1177.7-173.10113.5N67 V168 M169 R390 A391 D394N67-K171 VanDerWaalsContact ND2-CA 3.27Å; N67-K171 WeakPolarHBondContact ND2-CA 3.39Å; N67-K171 PolarHBondContact ND2-O 3.47Å; V168-K171 PolarHBondContact O-N 3.31Å; M169-K171 PolarHBondContact O-N 3.44Å; K171-R390 PolarHBondContact NZ-O 3.08Å; K171-R390 VanDerWaalsContact NZ-O 3.12Å; K171-A391 HydrophobicContact CB-CB 4.26Å; K171-A391 HydrophobicContact CD-CB 4.16Å; K171-D394 VanDerWaalsContact CE-CG 3.47Å; K171-D394 WeakPolarHBondContact CE-OD2 3.45Å; K171-D394 IonicContact NZ-OD1 3.04Å; K171-D394 PolarHBondContact NZ-OD1 3.35Å; K171-D394 IonicContact NZ-OD2 2.82Å; K171-D394 PolarHBondContact NZ-OD2 3.17Å
172Q83.8Confident88.7Confident35 Ų3533.1 Ų33.116%0.16419%0.185CC..  trans-133.381.6-168.9-77.4-70.3-16.800110.2V168 G174 L175 A176 L179 D387 A391V168-Q172 PolarHBondContact O-N 2.99Å; Q172-G174 PolarHBondContact O-N 3.5Å; Q172-L175 PolarHBondContact O-N 3.41Å; Q172-A176 WeakPolarHBondContact O-CB 3.48Å; Q172-A176 PolarHBondContact O-N 3.45Å; Q172-L179 HydrophobicContact CB-CD1 4.48Å; Q172-D387 PolarHBondContact NE2-OD2 3.1Å; Q172-A391 HydrophobicContact CG-CB 4.26Å
173V81.5Confident88.9Confident58 Ų5830.6 Ų30.635%0.35218%0.175SC..THydrogen-bonded Turntrans-59.5-47.9-175.8-176.90000112P49 M169 L175P49-V173 HydrophobicContact CB-CG2 3.64Å; P49-V173 WeakPolarHBondContact O-CG2 3.21Å; M169-V173 WeakPolarHBondContact O-CG2 3.49Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.4Å
174G84.3Confident89.1Confident78 Ų7830.5 Ų30.580%0.80418%0.175SC*.THydrogen-bonded Turntrans-70-24.2-173.900000114.7Q172Q172-G174 PolarHBondContact O-N 3.5Å
175L86.3Confident89.1Confident33 Ų3335.5 Ų35.517%0.17320%0.196CC..THydrogen-bonded Turntrans-108.6-0.8-176.6-61.6173.6000113Q172 V173 D177 F178 L179 V212 V388Q172-L175 PolarHBondContact O-N 3.41Å; V173-L175 VanDerWaalsContact C-N 3.31Å; V173-L175 PolarHBondContact O-N 3.4Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-D177 PolarHBondContact O-N 3.26Å; L175-F178 PolarHBondContact O-N 2.8Å; L175-F178 VanDerWaalsContact O-N 3.13Å; L175-L179 HydrophobicContact CB-CD1 3.77Å; L175-L179 HydrophobicContact CB-CG 4.11Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 2.9Å; L175-V212 HydrophobicContact CD1-CB 3.91Å; L175-V212 HydrophobicContact CD1-CG1 3.95Å; L175-V212 HydrophobicContact CD1-CG2 3.96Å; L175-V212 HydrophobicContact CD2-CB 4.34Å; L175-V388 HydrophobicContact CD1-CG2 4.25Å
176A86.1Confident89.1Confident3 Ų332.7 Ų32.73%0.02518%0.184CC..Hα-helixtrans-55.2-44.4-171.900000113.1V168 M169 Q172 F178 S180V168-A176 HydrophobicContact CG1-CB 4.37Å; M169-A176 HydrophobicContact CB-CB 4.02Å; Q172-A176 WeakPolarHBondContact O-CB 3.48Å; Q172-A176 PolarHBondContact O-N 3.45Å; A176-F178 VanDerWaalsContact C-N 3.34Å; A176-F178 PolarHBondContact O-N 2.81Å; A176-S180 WeakPolarHBondContact O-CB 3.47Å; A176-S180 PolarHBondContact O-N 3.43Å; A176-S180 PolarHBondContact O-OG 2.86Å
177D90.4Very high89.1Confident81 Ų8131.9 Ų31.943%0.43318%0.179SC..Hα-helixtrans-67.1-33.8-178.2-77.5-25.3000113.2K165 L175 S180 K181K165-D177 WeakPolarHBondContact CE-OD1 3.28Å; K165-D177 IonicContact NZ-OD1 3.78Å; K165-D177 PolarHBondContact NZ-OD1 2.8Å; K165-D177 IonicContact NZ-OD2 3.67Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-D177 PolarHBondContact O-N 3.26Å; D177-S180 PolarHBondContact O-OG 3.37Å; D177-K181 VanDerWaalsContact O-CD 3.23Å; D177-K181 WeakPolarHBondContact O-CD 3.32Å; D177-K181 WeakPolarHBondContact O-CG 3.17Å
178F92.3Very high89.1Confident58 Ų5833.6 Ų33.625%0.25419%0.187SC..Hα-helixtrans-79.5-48.6179.8177.1-102.1000110.9L175 A176 K181 L182 V212 N213 S215L175-F178 PolarHBondContact O-N 2.8Å; L175-F178 VanDerWaalsContact O-N 3.13Å; A176-F178 VanDerWaalsContact C-N 3.34Å; A176-F178 PolarHBondContact O-N 2.81Å; F178-K181 PolarHBondContact O-N 3.12Å; F178-L182 HydrophobicContact CD1-CD1 3.99Å; F178-L182 HydrophobicContact CE1-CD1 3.35Å; F178-L182 HydrophobicContact CE1-CG 4.29Å; F178-L182 HydrophobicContact CE2-CD1 4.35Å; F178-L182 HydrophobicContact CZ-CD1 3.56Å; F178-L182 HydrophobicContact CZ-CG 4.24Å; F178-L182 PolarHBondContact O-N 2.68Å; F178-L182 VanDerWaalsContact O-N 3.15Å; F178-V212 VanDerWaalsContact CE1-O 3.25Å; F178-V212 WeakPolarHBondContact CE1-O 3.1Å; F178-N213 WeakPolarHBondContact CZ-O 3.31Å; F178-S215 WeakPolarHBondContact CZ-O 3.25Å
179L92.8Very high88.9Confident2 Ų236.4 Ų36.41%0.0120%0.201CC..Hα-helixtrans-64.3-45-179.9-67.8175.5000111.6V168 Q172 L175 K181 L182 I183 V212 V388 I392V168-L179 HydrophobicContact CG1-CB 3.99Å; V168-L179 HydrophobicContact CG1-CD1 4.15Å; Q172-L179 HydrophobicContact CB-CD1 4.48Å; L175-L179 HydrophobicContact CB-CD1 3.77Å; L175-L179 HydrophobicContact CB-CG 4.11Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 2.9Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.91Å; L179-L182 PolarHBondContact O-N 3.22Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L179-I183 HydrophobicContact CB-CD1 4.36Å; L179-I183 WeakPolarHBondContact O-CD1 3.41Å; L179-I183 WeakPolarHBondContact O-CG1 3.09Å; L179-I183 PolarHBondContact O-N 2.9Å; L179-V212 HydrophobicContact CD2-CG1 4.26Å; L179-V388 HydrophobicContact CD1-CG1 3.92Å; L179-V388 HydrophobicContact CD2-CG1 3.72Å; L179-V388 HydrophobicContact CG-CG1 4.49Å; L179-I392 HydrophobicContact CD2-CD1 4.34Å
180S92.6Very high88.8Confident0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-58.6-40177.458.80000112.2A176 D177 T184A176-S180 WeakPolarHBondContact O-CB 3.47Å; A176-S180 PolarHBondContact O-N 3.43Å; A176-S180 PolarHBondContact O-OG 2.86Å; D177-S180 PolarHBondContact O-OG 3.37Å; S180-T184 WeakPolarHBondContact O-CB 3.37Å; S180-T184 PolarHBondContact O-N 3.39Å; S180-T184 PolarHBondContact O-OG1 3.42Å
181K94.2Very high88.7Confident104 Ų10434.8 Ų34.845%0.45219%0.19SC..Hα-helixtrans-63.3-42.9175.6-74.4172-170.6170.70112.2Y157 L161 D177 F178 L179 K185Y157-K181 WeakPolarHBondContact OH-CA 3.31Å; Y157-K181 WeakPolarHBondContact OH-CB 2.99Å; Y157-K181 WeakPolarHBondContact OH-CG 3.2Å; Y157-K181 PolarHBondContact OH-O 2.88Å; L161-K181 HydrophobicContact CD1-CG 3.72Å; D177-K181 VanDerWaalsContact O-CD 3.23Å; D177-K181 WeakPolarHBondContact O-CD 3.32Å; D177-K181 WeakPolarHBondContact O-CG 3.17Å; F178-K181 PolarHBondContact O-N 3.12Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.91Å; K181-K185 VanDerWaalsContact O-CG 3.29Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 2.99Å
182L93.4Very high88.4Confident26 Ų2635.1 Ų35.114%0.13619%0.194CC..Hα-helixtrans-66.5-49.4178.2-73.2179.3000111.7F178 L179 T184 K185 A186 M217 L375F178-L182 HydrophobicContact CD1-CD1 3.99Å; F178-L182 HydrophobicContact CE1-CD1 3.35Å; F178-L182 HydrophobicContact CE1-CG 4.29Å; F178-L182 HydrophobicContact CE2-CD1 4.35Å; F178-L182 HydrophobicContact CZ-CD1 3.56Å; F178-L182 HydrophobicContact CZ-CG 4.24Å; F178-L182 PolarHBondContact O-N 2.68Å; F178-L182 VanDerWaalsContact O-N 3.15Å; L179-L182 PolarHBondContact O-N 3.22Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L182-T184 PolarHBondContact O-N 2.7Å; L182-K185 PolarHBondContact O-N 3.32Å; L182-A186 PolarHBondContact O-N 3.36Å; L182-M217 HydrophobicContact CD2-CB 4.23Å; L182-L375 HydrophobicContact CB-CD2 4.41Å
183I93.5Very high87.8Confident0 Ų039.6 Ų39.60%021%0.214CC..Hα-helixtrans-61.1-47.3179.8-61.6159.9000109.9I164 V168 L179 K185 A186 C187 L375 I392 V396I164-I183 HydrophobicContact CD1-CG2 4.15Å; I164-I183 HydrophobicContact CG2-CB 4.16Å; I164-I183 HydrophobicContact CG2-CD1 4.36Å; I164-I183 HydrophobicContact CG2-CG2 4Å; V168-I183 HydrophobicContact CG2-CD1 3.74Å; L179-I183 HydrophobicContact CB-CD1 4.36Å; L179-I183 WeakPolarHBondContact O-CD1 3.41Å; L179-I183 WeakPolarHBondContact O-CG1 3.09Å; L179-I183 PolarHBondContact O-N 2.9Å; I183-K185 VanDerWaalsContact C-N 3.32Å; I183-K185 PolarHBondContact O-N 3.03Å; I183-A186 PolarHBondContact O-N 3.21Å; I183-C187 WeakPolarHBondContact O-CB 3.32Å; I183-C187 PolarHBondContact O-N 3.45Å; I183-C187 PolarHBondContact O-SG 3.33Å; I183-L375 HydrophobicContact CG1-CD1 4.46Å; I183-I392 HydrophobicContact CD1-CB 4.26Å; I183-I392 HydrophobicContact CD1-CG1 3.8Å; I183-I392 HydrophobicContact CG1-CB 4.36Å; I183-I392 HydrophobicContact CG1-CG1 3.88Å; I183-I392 HydrophobicContact CG1-CG2 4.24Å; I183-V396 HydrophobicContact CG2-CG2 3.93Å
184T92.9Very high87.1Confident0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-59.7-42.3179.6-55.30000111.7Y157 V160 L161 S180 L182 I188Y157-T184 HydrophobicContact CD2-CG2 3.62Å; Y157-T184 HydrophobicContact CE2-CG2 3.65Å; Y157-T184 HydrophobicContact CG-CG2 4.43Å; V160-T184 HydrophobicContact CB-CG2 3.98Å; V160-T184 HydrophobicContact CG1-CG2 3.81Å; L161-T184 HydrophobicContact CB-CG2 4.35Å; S180-T184 WeakPolarHBondContact O-CB 3.37Å; S180-T184 PolarHBondContact O-N 3.39Å; S180-T184 PolarHBondContact O-OG1 3.42Å; L182-T184 PolarHBondContact O-N 2.7Å; T184-I188 HydrophobicContact CG2-CD1 3.7Å; T184-I188 HydrophobicContact CG2-CG1 4.45Å; T184-I188 VanDerWaalsContact O-CG1 3.3Å; T184-I188 WeakPolarHBondContact O-CG1 3.48Å; T184-I188 PolarHBondContact O-N 3.28Å
185K91.3Very high86.3Confident104 Ų10446.3 Ų46.345%0.45223%0.226SC..Hα-helixtrans-62.3-48.1175.8-73.1-179.2-177.3-177.10111.1Y157 K181 L182 I183 C187 I188 E189 M217Y157-K185 HydrophobicContact CD2-CG 4.43Å; Y157-K185 HydrophobicContact CE2-CG 3.56Å; K181-K185 VanDerWaalsContact O-CG 3.29Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 2.99Å; L182-K185 PolarHBondContact O-N 3.32Å; I183-K185 VanDerWaalsContact C-N 3.32Å; I183-K185 PolarHBondContact O-N 3.03Å; K185-C187 PolarHBondContact O-N 2.88Å; K185-I188 PolarHBondContact O-N 3.45Å; K185-E189 WeakPolarHBondContact O-CB 3.45Å; K185-E189 WeakPolarHBondContact O-CG 3.35Å; K185-E189 PolarHBondContact O-N 3.24Å; K185-E189 VanDerWaalsContact O-N 3.08Å; K185-M217 HydrophobicContact CB-CE 3.69Å
186A91.2Very high86Confident0 Ų054.9 Ų54.90%026%0.258CS..Hα-helixtrans-60.8-44.4178.600000112.3L182 I183 E189 T190 I202 M217 V373 L375L182-A186 PolarHBondContact O-N 3.36Å; I183-A186 PolarHBondContact O-N 3.21Å; A186-E189 PolarHBondContact O-N 3.04Å; A186-T190 WeakPolarHBondContact O-CB 3.21Å; A186-T190 VanDerWaalsContact O-CG2 3.26Å; A186-T190 WeakPolarHBondContact O-CG2 3.34Å; A186-T190 PolarHBondContact O-N 3.17Å; A186-T190 PolarHBondContact O-OG1 2.93Å; A186-I202 HydrophobicContact CB-CD1 4.26Å; A186-M217 HydrophobicContact CB-CG 4.24Å; A186-V373 HydrophobicContact CB-CB 4.44Å; A186-V373 HydrophobicContact CB-CG1 3.73Å; A186-L375 HydrophobicContact CB-CD1 4.45Å; A186-L375 HydrophobicContact CB-CD2 3.98Å; A186-L375 HydrophobicContact CB-CG 4.34Å
187C89.9Confident86Confident0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-63.1-41.4178.9-73.20000113.2I183 K185 T190 L191 F197 I202 F399I183-C187 WeakPolarHBondContact O-CB 3.32Å; I183-C187 PolarHBondContact O-N 3.45Å; I183-C187 PolarHBondContact O-SG 3.33Å; K185-C187 PolarHBondContact O-N 2.88Å; C187-T190 WeakPolarHBondContact CA-OG1 3.26Å; C187-T190 PolarHBondContact O-OG1 3.01Å; C187-T190 VanDerWaalsContact O-OG1 3.09Å; C187-L191 WeakPolarHBondContact O-CB 3.48Å; C187-L191 PolarHBondContact O-N 3.41Å; C187-F197 HydrophobicContact CB-CE2 4.48Å; C187-F197 HydrophobicContact CB-CZ 4.5Å; C187-I202 HydrophobicContact CB-CD1 4.37Å; C187-I202 WeakPolarHBondContact SG-CD1 3.1Å; C187-F399 HydrophobicContact CB-CB 4.36Å; C187-F399 HydrophobicContact CB-CD1 3.55Å; C187-F399 HydrophobicContact CB-CD2 3.97Å; C187-F399 HydrophobicContact CB-CE1 3.67Å; C187-F399 HydrophobicContact CB-CE2 4.08Å; C187-F399 HydrophobicContact CB-CG 3.68Å; C187-F399 HydrophobicContact CB-CZ 3.93Å
188I88.2Confident85.8Confident40 Ų4054.4 Ų54.421%0.20525%0.254CS..Hα-helixtrans-71.9-38.8-179.8-68.4169.1000111Y157 T184 K185 L191Y157-I188 HydrophobicContact CD2-CD1 3.95Å; T184-I188 HydrophobicContact CG2-CD1 3.7Å; T184-I188 HydrophobicContact CG2-CG1 4.45Å; T184-I188 VanDerWaalsContact O-CG1 3.3Å; T184-I188 WeakPolarHBondContact O-CG1 3.48Å; T184-I188 PolarHBondContact O-N 3.28Å; K185-I188 PolarHBondContact O-N 3.45Å; I188-L191 WeakPolarHBondContact O-CB 3.44Å; I188-L191 PolarHBondContact O-N 3.09Å
189E85.4Confident85.6Confident60 Ų6053.1 Ų53.128%0.2825%0.251SS..Hα-helixtrans-70.9-33.7178.8-70.8-176.2169.300113K185 A186 L191 M217 K219K185-E189 WeakPolarHBondContact O-CB 3.45Å; K185-E189 WeakPolarHBondContact O-CG 3.35Å; K185-E189 PolarHBondContact O-N 3.24Å; K185-E189 VanDerWaalsContact O-N 3.08Å; A186-E189 PolarHBondContact O-N 3.04Å; E189-L191 VanDerWaalsContact C-N 3.29Å; E189-M217 WeakPolarHBondContact OE2-CE 3.31Å; E189-K219 WeakPolarHBondContact OE1-CE 3.39Å; E189-K219 IonicContact OE1-NZ 3.92Å; E189-K219 PolarHBondContact OE1-NZ 3.38Å; E189-K219 WeakPolarHBondContact OE2-CE 3.42Å; E189-K219 WeakPolarHBondContact OE2-CG 3.22Å; E189-K219 IonicContact OE2-NZ 2.83Å; E189-K219 PolarHBondContact OE2-NZ 3.38Å
190T85.4Confident85.4Confident0 Ų057.4 Ų57.40%027%0.274CS..Hα-helixtrans-77.6-13.6175.4490000113.1A186 C187 P192 F197 N201 I202 T371 V373A186-T190 WeakPolarHBondContact O-CB 3.21Å; A186-T190 VanDerWaalsContact O-CG2 3.26Å; A186-T190 WeakPolarHBondContact O-CG2 3.34Å; A186-T190 PolarHBondContact O-N 3.17Å; A186-T190 PolarHBondContact O-OG1 2.93Å; C187-T190 WeakPolarHBondContact CA-OG1 3.26Å; C187-T190 PolarHBondContact O-OG1 3.01Å; C187-T190 VanDerWaalsContact O-OG1 3.09Å; T190-P192 WeakPolarHBondContact O-CD 3.38Å; T190-F197 WeakPolarHBondContact OG1-CE2 3.32Å; T190-N201 HydrophobicContact CG2-CB 4.41Å; T190-I202 HydrophobicContact CG2-CG1 3.93Å; T190-T371 WeakPolarHBondContact CG2-O 3.28Å; T190-V373 HydrophobicContact CG2-CB 3.7Å; T190-V373 HydrophobicContact CG2-CG2 3.45Å; T190-V373 VanDerWaalsContact CG2-CG2 3.45Å
191L82.9Confident85.3Confident32 Ų3258.5 Ų58.517%0.16828%0.28CS..  trans-68.8112.9-174.5-173.472.6000110.9I154 R155 C187 I188 E189 F197 F399 T403I154-L191 HydrophobicContact CG2-CD2 4.48Å; R155-L191 HydrophobicContact CG-CD2 3.95Å; C187-L191 WeakPolarHBondContact O-CB 3.48Å; C187-L191 PolarHBondContact O-N 3.41Å; I188-L191 WeakPolarHBondContact O-CB 3.44Å; I188-L191 PolarHBondContact O-N 3.09Å; E189-L191 VanDerWaalsContact C-N 3.29Å; L191-F197 HydrophobicContact CD1-CB 4.39Å; L191-F197 HydrophobicContact CD1-CD2 4.25Å; L191-F399 HydrophobicContact CD1-CE1 4.14Å; L191-F399 HydrophobicContact CD1-CZ 4.38Å; L191-T403 HydrophobicContact CD1-CG2 4.19Å
192P77.3Confident85.1Confident24 Ų2454.2 Ų54.216%0.15626%0.262CS..  trans-73.9156.517731.1-33.1000111T190 K194 S195T190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-K194 VanDerWaalsContact C-N 3.34Å; P192-K194 PolarHBondContact O-N 3.07Å; P192-S195 WeakPolarHBondContact CB-OG 3.3Å; P192-S195 WeakPolarHBondContact CG-O 3.49Å; P192-S195 WeakPolarHBondContact CG-OG 3.24Å
193Q71.6Confident85.1Confident128 Ų12854.5 Ų54.560%0.59826%0.261SS*.SBendtrans-69-30.1-177.9-56.5-169.1900114.1E369Q193-E369 PolarHBondContact NE2-OE1 3.25Å; Q193-E369 VanDerWaalsContact NE2-OE1 3.07Å
194K66.2Low85.1Confident202 Ų20255.5 Ų55.588%0.87827%0.267SS*.SBendtrans-1363-167.5-68.2-176.8-179.8175.40114.8P192P192-K194 VanDerWaalsContact C-N 3.34Å; P192-K194 PolarHBondContact O-N 3.07Å
195S68.7Low85.2Confident76 Ų7656.2 Ų56.253%0.53127%0.271SS..SBendtrans-121.4167.7-17758.30000112.9P192P192-S195 WeakPolarHBondContact CB-OG 3.3Å; P192-S195 WeakPolarHBondContact CG-O 3.49Å; P192-S195 WeakPolarHBondContact CG-OG 3.24Å
196Y80.2Confident85.3Confident213 Ų21353.6 Ų53.684%0.83526%0.259SS*.PPolyproline II helixtrans-65.7140.9176.1-62.6-78.4000110.5N198Y196-N198 PolarHBondContact O-N 2.94Å
197F84.9Confident85.4Confident11 Ų1153.8 Ų53.85%0.04826%0.26CS..PPolyproline II helixtrans-66.8120.9172-179.8-98.3000110.1C187 T190 L191 V199 I202 V396 F399 K400 T403C187-F197 HydrophobicContact CB-CE2 4.48Å; C187-F197 HydrophobicContact CB-CZ 4.5Å; T190-F197 WeakPolarHBondContact OG1-CE2 3.32Å; L191-F197 HydrophobicContact CD1-CB 4.39Å; L191-F197 HydrophobicContact CD1-CD2 4.25Å; F197-V199 HydrophobicContact CE1-CG2 4.36Å; F197-I202 HydrophobicContact CE2-CD1 4.31Å; F197-I202 HydrophobicContact CZ-CD1 3.71Å; F197-I202 HydrophobicContact CZ-CG1 4.41Å; F197-V396 HydrophobicContact CE1-CG1 3.7Å; F197-V396 HydrophobicContact CZ-CG1 3.89Å; F197-F399 HydrophobicContact CD1-CD1 4.1Å; F197-F399 AromaticContact CD2-CD1 3.89Å; F197-F399 HydrophobicContact CD2-CD1 3.89Å; F197-F399 AromaticContact CD2-CE1 3.7Å; F197-F399 HydrophobicContact CD2-CE1 3.7Å; F197-F399 AromaticContact CE1-CD1 3.9Å; F197-F399 HydrophobicContact CE1-CD1 3.9Å; F197-F399 AromaticContact CE2-CD1 3.67Å; F197-F399 HydrophobicContact CE2-CD1 3.67Å; F197-F399 AromaticContact CE2-CE1 3.69Å; F197-F399 HydrophobicContact CE2-CE1 3.69Å; F197-F399 HydrophobicContact CG-CD1 4.09Å; F197-F399 HydrophobicContact CG-CE1 4.19Å; F197-F399 AromaticContact CZ-CD1 3.67Å; F197-F399 HydrophobicContact CZ-CD1 3.67Å; F197-F399 HydrophobicContact CZ-CE1 4.19Å; F197-K400 HydrophobicContact CD1-CB 3.87Å; F197-K400 HydrophobicContact CD1-CG 4.28Å; F197-K400 HydrophobicContact CE1-CB 4.29Å; F197-T403 HydrophobicContact CB-CG2 3.87Å; F197-T403 HydrophobicContact CG-CG2 4.43Å
198N87Confident85.5Confident63 Ų6357.5 Ų57.534%0.33728%0.28SS..PPolyproline II helixtrans-99.9123.2175.5-170.18.9000110.1Y196 D200 N201Y196-N198 PolarHBondContact O-N 2.94Å; N198-D200 PolarHBondContact O-N 2.86Å; N198-D200 PolarHBondContact OD1-N 3.44Å; N198-N201 WeakPolarHBondContact O-CB 3.42Å; N198-N201 PolarHBondContact O-N 3.26Å
199V88.8Confident85.6Confident31 Ų3156.8 Ų56.819%0.18828%0.282CS..G310 helixtrans-62.5-32.6178.31790000110.9F197 N201 I202 V396 K400F197-V199 HydrophobicContact CE1-CG2 4.36Å; V199-N201 PolarHBondContact O-N 3.37Å; V199-N201 VanDerWaalsContact O-N 3.1Å; V199-I202 PolarHBondContact O-N 3.44Å; V199-I202 VanDerWaalsContact O-N 3.09Å; V199-V396 HydrophobicContact CB-CG1 4.33Å; V199-V396 HydrophobicContact CG1-CG1 3.81Å; V199-V396 HydrophobicContact CG2-CG1 4.32Å; V199-K400 HydrophobicContact CG2-CB 4.12Å; V199-K400 HydrophobicContact CG2-CD 3.64Å; V199-K400 HydrophobicContact CG2-CG 4.14Å
200D88.2Confident85.7Confident92 Ų9256 Ų5649%0.49229%0.286SS..G310 helixtrans-64.1-17.3180-69.2-32.1000114.1N198 I202N198-D200 PolarHBondContact O-N 2.86Å; N198-D200 PolarHBondContact OD1-N 3.44Å; D200-I202 PolarHBondContact O-N 2.95Å
201N89.2Confident86Confident22 Ų2258 Ų5812%0.11831%0.306CS..G310 helixtrans-74.6-17178.1-67.21.2000112T190 N198 V199 V372 V373T190-N201 HydrophobicContact CG2-CB 4.41Å; N198-N201 WeakPolarHBondContact O-CB 3.42Å; N198-N201 PolarHBondContact O-N 3.26Å; V199-N201 PolarHBondContact O-N 3.37Å; V199-N201 VanDerWaalsContact O-N 3.1Å; N201-V372 CarbonylContact O-C 3.31Å; N201-V372 VanDerWaalsContact O-CA 3.28Å; N201-V372 WeakPolarHBondContact O-CA 3.32Å; N201-V372 WeakPolarHBondContact O-CG1 3.41Å; N201-V373 PolarHBondContact O-N 3Å
202I91.9Very high86.3Confident14 Ų1457.1 Ų57.17%0.07230%0.303CS..EExtended strand (participates in β ladder)trans-100.7110.2172.5-60.6-178.9000107.4A186 C187 T190 F197 V199 D200 V373 L375 V396A186-I202 HydrophobicContact CB-CD1 4.26Å; C187-I202 HydrophobicContact CB-CD1 4.37Å; C187-I202 WeakPolarHBondContact SG-CD1 3.1Å; T190-I202 HydrophobicContact CG2-CG1 3.93Å; F197-I202 HydrophobicContact CE2-CD1 4.31Å; F197-I202 HydrophobicContact CZ-CD1 3.71Å; F197-I202 HydrophobicContact CZ-CG1 4.41Å; V199-I202 PolarHBondContact O-N 3.44Å; V199-I202 VanDerWaalsContact O-N 3.09Å; D200-I202 PolarHBondContact O-N 2.95Å; I202-V373 WeakPolarHBondContact CA-O 3.26Å; I202-L375 HydrophobicContact CG2-CD1 3.84Å; I202-L375 HydrophobicContact CG2-CG 4.23Å; I202-V396 HydrophobicContact CB-CG1 4.47Å; I202-V396 HydrophobicContact CB-CG2 4.35Å; I202-V396 HydrophobicContact CD1-CG1 3.89Å; I202-V396 HydrophobicContact CD1-CG2 3.77Å; I202-V396 HydrophobicContact CG2-CG2 4.05Å
203R92.7Very high87Confident33 Ų3361.1 Ų61.113%0.12532%0.323CS..EExtended strand (participates in β ladder)trans-99137.6177.7-175.7-178.1-177.2-179.910.8109.6M221 V222 F223 D320 V373 T374 L375R203-M221 VanDerWaalsContact NH1-CE 3.29Å; R203-V222 PolarHBondContact NH1-O 2.98Å; R203-V222 VanDerWaalsContact NH1-O 3.16Å; R203-F223 VanDerWaalsContact NH1-CD1 3.34Å; R203-D320 IonicContact CZ-OD1 2.68Å; R203-D320 IonicContact CZ-OD2 2.91Å; R203-D320 IonicContact NH1-OD1 3.81Å; R203-D320 IonicContact NH1-OD2 3.04Å; R203-D320 IonicContact NH2-OD1 2.66Å; R203-D320 PolarHBondContact NH2-OD1 3.3Å; R203-D320 IonicContact NH2-OD2 3.16Å; R203-D320 PolarHBondContact NH2-OD2 3.19Å; R203-V373 PolarHBondContact N-O 3.11Å; R203-T374 HydrophobicContact CB-CG2 4.44Å; R203-T374 HydrophobicContact CG-CG2 4.48Å; R203-T374 CarbonylContact O-C 3.52Å; R203-T374 VanDerWaalsContact O-CA 3.27Å; R203-T374 WeakPolarHBondContact O-CA 3.47Å; R203-L375 PolarHBondContact O-N 3.47Å
204V94.3Very high88Confident20 Ų2061.1 Ų61.112%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-97128.4166.2172.40000109.6K206 I377 E389 I392V204-K206 HydrophobicContact CG1-CG 4.27Å; V204-I377 HydrophobicContact CB-CD1 4.39Å; V204-I377 HydrophobicContact CG1-CD1 3.2Å; V204-I377 HydrophobicContact CG1-CG1 3.91Å; V204-I377 HydrophobicContact CG2-CD1 4.35Å; V204-E389 HydrophobicContact CB-CG 4.16Å; V204-E389 HydrophobicContact CG1-CB 4.16Å; V204-E389 HydrophobicContact CG1-CG 3.85Å; V204-E389 HydrophobicContact CG2-CG 4.37Å; V204-I392 HydrophobicContact CG2-CB 4.4Å; V204-I392 HydrophobicContact CG2-CG2 3.72Å
205L93.2Very high89.2Confident16 Ų1651.9 Ų51.98%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-118.2108.2167.3-169.175.9000109I207 V222 R224 T374 L375 L376 I377L205-I207 HydrophobicContact CD2-CD1 4.39Å; L205-I207 HydrophobicContact CD2-CG1 4.44Å; L205-V222 HydrophobicContact CD2-CB 3.64Å; L205-V222 HydrophobicContact CD2-CG1 3.39Å; L205-R224 HydrophobicContact CD1-CG 4.14Å; L205-R224 HydrophobicContact CD2-CG 4.09Å; L205-R224 HydrophobicContact CG-CG 4.38Å; L205-T374 HydrophobicContact CB-CG2 3.72Å; L205-L375 PolarHBondContact N-O 3.12Å; L205-L376 HydrophobicContact CD2-CD1 4.1Å; L205-L376 CarbonylContact O-C 3.54Å; L205-L376 WeakPolarHBondContact O-CA 3.13Å; L205-I377 PolarHBondContact O-N 2.89Å
206K93.6Very high90.4Very high49 Ų4954.5 Ų54.521%0.21329%0.285CS..EExtended strand (participates in β ladder)trans-68.4150.1170.8-62.8178.3-71.6-159.30108.6V204 R224 I377 M385 D386 E389V204-K206 HydrophobicContact CG1-CG 4.27Å; K206-R224 PolarHBondContact O-NE 2.92Å; K206-R224 PolarHBondContact O-NH2 3.18Å; K206-I377 CarbonylContact C-O 3.55Å; K206-I377 WeakPolarHBondContact CA-O 3.15Å; K206-M385 HydrophobicContact CB-CE 4.15Å; K206-M385 HydrophobicContact CB-SD 3.9Å; K206-M385 HydrophobicContact CD-CB 3.8Å; K206-M385 HydrophobicContact CG-CB 4.1Å; K206-M385 HydrophobicContact CG-SD 4.47Å; K206-D386 IonicContact NZ-OD1 3.3Å; K206-D386 PolarHBondContact NZ-OD1 3.22Å; K206-E389 WeakPolarHBondContact CD-OE2 3.38Å; K206-E389 WeakPolarHBondContact CE-OE2 3.16Å; K206-E389 IonicContact NZ-OE2 3.31Å; K206-E389 PolarHBondContact NZ-OE2 2.91Å
207I93Very high90.9Very high4 Ų446.4 Ų46.42%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-146.1131.6159.4-57-175000107.1L205 I355 A358 V360 L376 I377 R378L205-I207 HydrophobicContact CD2-CD1 4.39Å; L205-I207 HydrophobicContact CD2-CG1 4.44Å; I207-I355 HydrophobicContact CD1-CB 4.22Å; I207-I355 HydrophobicContact CD1-CD1 4.3Å; I207-A358 HydrophobicContact CG2-CB 4.02Å; I207-V360 HydrophobicContact CD1-CG1 3.67Å; I207-L376 HydrophobicContact CD1-CD1 3.56Å; I207-L376 HydrophobicContact CD1-CG 4.45Å; I207-L376 HydrophobicContact CG1-CD1 4.09Å; I207-I377 PolarHBondContact N-O 3.25Å; I207-R378 WeakPolarHBondContact O-CA 3.27Å
208L93Very high91.2Very high78 Ų7846.4 Ų46.441%0.40826%0.256SS..EExtended strand (participates in β ladder)trans-66.7143.5178.4-75.5168.4000111.5R378 E382 M385L208-R378 PolarHBondContact O-NH2 3.17Å; L208-E382 HydrophobicContact CD1-CG 4.17Å; L208-E382 HydrophobicContact CD2-CG 3.76Å; L208-E382 HydrophobicContact CG-CG 4.32Å; L208-M385 HydrophobicContact CD2-CE 3.31Å; L208-M385 HydrophobicContact CD2-SD 4.41Å; L208-M385 HydrophobicContact CG-CE 3.74Å
209G89.9Confident91.3Very high25 Ų2547.2 Ų47.226%0.25826%0.256SS..BIsolated β-bridgetrans111.2153.7176.500000113.5R378 G379G209-R378 PolarHBondContact O-NE 2.99Å; G209-R378 PolarHBondContact O-NH2 3.37Å; G209-G379 PolarHBondContact N-O 3.22Å; G209-G379 PolarHBondContact O-N 3.42Å
210A88.1Confident91.3Very high42 Ų4245.8 Ų45.835%0.34725%0.248SC..SBendtrans58.4-177.8-173.800000115Q214 G379 S380A210-Q214 HydrophobicContact CB-CB 4.4Å; A210-Q214 HydrophobicContact CB-CG 4.43Å; A210-G379 CarbonylContact O-C 3.55Å; A210-G379 VanDerWaalsContact O-C 3.29Å; A210-G379 WeakPolarHBondContact O-CA 3.5Å; A210-S380 PolarHBondContact O-N 3.49Å
211G90.4Very high91.4Very high42 Ų4241.4 Ų41.443%0.43323%0.225SC..  trans-88.2161.2175.100000112.6N213 Q214G211-N213 PolarHBondContact O-N 3.48Å; G211-N213 VanDerWaalsContact O-N 3.13Å; G211-Q214 PolarHBondContact O-N 2.91Å
212V91.2Very high91.5Very high15 Ų1540.3 Ų40.39%0.09122%0.219CC..G310 helixtrans-59.2-27.9-178.8-171.80000112.9L175 F178 L179 Q214 S215 R378 I384 V388L175-V212 HydrophobicContact CD1-CB 3.91Å; L175-V212 HydrophobicContact CD1-CG1 3.95Å; L175-V212 HydrophobicContact CD1-CG2 3.96Å; L175-V212 HydrophobicContact CD2-CB 4.34Å; F178-V212 VanDerWaalsContact CE1-O 3.25Å; F178-V212 WeakPolarHBondContact CE1-O 3.1Å; L179-V212 HydrophobicContact CD2-CG1 4.26Å; V212-Q214 PolarHBondContact O-N 3.49Å; V212-Q214 VanDerWaalsContact O-N 3.13Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.32Å; V212-S215 PolarHBondContact O-OG 2.95Å; V212-R378 VanDerWaalsContact CA-O 3.24Å; V212-R378 WeakPolarHBondContact CA-O 3.3Å; V212-I384 HydrophobicContact CG2-CG2 4.25Å; V212-V388 HydrophobicContact CG1-CG1 4.14Å; V212-V388 HydrophobicContact CG1-CG2 4.29Å; V212-V388 HydrophobicContact CG2-CG2 4.35Å
213N90.9Very high91.6Very high108 Ų10839.9 Ų39.958%0.57822%0.216SC*.G310 helixtrans-64-16.2177.4-64.4-15.5000114.1F178 G211 S215F178-N213 WeakPolarHBondContact CZ-O 3.31Å; G211-N213 PolarHBondContact O-N 3.48Å; G211-N213 VanDerWaalsContact O-N 3.13Å; N213-S215 VanDerWaalsContact C-N 3.31Å
214Q92Very high91.4Very high127 Ų12744.1 Ų44.159%0.59323%0.232SC*.G310 helixtrans-89.84.9174.7-65.5-171.4-2.200113.2A210 G211 V212A210-Q214 HydrophobicContact CB-CB 4.4Å; A210-Q214 HydrophobicContact CB-CG 4.43Å; G211-Q214 PolarHBondContact O-N 2.91Å; V212-Q214 PolarHBondContact O-N 3.49Å; V212-Q214 VanDerWaalsContact O-N 3.13Å
215S92.7Very high91.1Very high9 Ų947 Ų476%0.06324%0.241CC..  trans-63.3143175-55.10000110.8F178 V212 N213 L376 I377 R378F178-S215 WeakPolarHBondContact CZ-O 3.25Å; V212-S215 WeakPolarHBondContact O-CB 3.44Å; V212-S215 PolarHBondContact O-N 3.32Å; V212-S215 PolarHBondContact O-OG 2.95Å; N213-S215 VanDerWaalsContact C-N 3.31Å; S215-L376 CarbonylContact C-O 3.51Å; S215-L376 WeakPolarHBondContact CA-O 3.48Å; S215-L376 WeakPolarHBondContact CB-O 3.15Å; S215-I377 WeakPolarHBondContact OG-CA 3.32Å; S215-R378 PolarHBondContact OG-N 3.42Å
216K92.4Very high90.9Very high131 Ų13151.8 Ų51.857%0.5726%0.263SS*.EExtended strand (participates in β ladder)trans-122.9150.6-176.2-65.3-177.7-177.61770110.4L376K216-L376 HydrophobicContact CB-CB 4.49Å; K216-L376 HydrophobicContact CB-CD2 4.39Å; K216-L376 PolarHBondContact N-O 3.27Å; K216-L376 WeakPolarHBondContact O-CB 3.21Å; K216-L376 PolarHBondContact O-N 2.88Å
217M92.4Very high90.7Very high42 Ų4250.2 Ų50.221%0.20726%0.257CS..EExtended strand (participates in β ladder)trans-99.5128.7165.5178.7-90.8-9100107.6L182 K185 A186 E189 K219 V373 L375L182-M217 HydrophobicContact CD2-CB 4.23Å; K185-M217 HydrophobicContact CB-CE 3.69Å; A186-M217 HydrophobicContact CB-CG 4.24Å; E189-M217 WeakPolarHBondContact OE2-CE 3.31Å; M217-K219 HydrophobicContact SD-CG 4.08Å; M217-V373 HydrophobicContact CG-CG1 3.54Å; M217-V373 HydrophobicContact SD-CG1 3.88Å; M217-L375 HydrophobicContact CB-CD2 3.78Å; M217-L375 HydrophobicContact CG-CD2 3.8Å
218I90.7Very high90.5Very high11 Ų1154.2 Ų54.26%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-119.5128.6179.2-68.2166.4000107.8G220 V222 I362 E364 T374 L376I218-G220 PolarHBondContact O-N 3.08Å; I218-G220 VanDerWaalsContact O-N 3.07Å; I218-V222 HydrophobicContact CB-CG2 4.14Å; I218-V222 HydrophobicContact CD1-CG2 3.52Å; I218-V222 HydrophobicContact CG1-CG2 4.42Å; I218-V222 HydrophobicContact CG2-CG2 4Å; I218-I362 HydrophobicContact CD1-CD1 4.26Å; I218-I362 HydrophobicContact CD1-CG2 4.49Å; I218-I362 HydrophobicContact CG2-CG2 3.72Å; I218-E364 HydrophobicContact CG2-CG 4.2Å; I218-T374 PolarHBondContact N-O 3.03Å; I218-T374 PolarHBondContact O-N 3.11Å; I218-L376 HydrophobicContact CD1-CB 4.37Å
219K88.6Confident90.1Very high80 Ų8050.9 Ų50.935%0.34826%0.261SS..SBendtrans-7892178.2-60.7-171.5-172.3-151.70109.5E189 M217 E364 Q365E189-K219 WeakPolarHBondContact OE1-CE 3.39Å; E189-K219 IonicContact OE1-NZ 3.92Å; E189-K219 PolarHBondContact OE1-NZ 3.38Å; E189-K219 WeakPolarHBondContact OE2-CE 3.42Å; E189-K219 WeakPolarHBondContact OE2-CG 3.22Å; E189-K219 IonicContact OE2-NZ 2.83Å; E189-K219 PolarHBondContact OE2-NZ 3.38Å; M217-K219 HydrophobicContact SD-CG 4.08Å; K219-E364 CarbonylContact O-C 3.57Å; K219-E364 VanDerWaalsContact O-CA 3.26Å; K219-E364 WeakPolarHBondContact O-CA 3.31Å; K219-Q365 PolarHBondContact O-N 3.31Å
220G88.4Confident90.1Very high1 Ų157 Ų571%0.0128%0.283CS..EExtended strand (participates in β ladder)trans133.8-144.9-177.200000111.8I218 F363 V372 V373 T374I218-G220 PolarHBondContact O-N 3.08Å; I218-G220 VanDerWaalsContact O-N 3.07Å; G220-F363 CarbonylContact C-O 3.4Å; G220-F363 VanDerWaalsContact CA-O 3.25Å; G220-F363 WeakPolarHBondContact CA-O 3.43Å; G220-V372 CarbonylContact C-O 3.55Å; G220-V372 WeakPolarHBondContact CA-O 3.33Å; G220-V372 PolarHBondContact N-O 3.33Å; G220-V373 CarbonylContact O-C 3.49Å; G220-T374 WeakPolarHBondContact O-CB 3.5Å; G220-T374 PolarHBondContact O-N 3.16Å; G220-T374 PolarHBondContact O-OG1 2.87Å
221M90.5Very high90.1Very high0 Ų056.4 Ų56.40%027%0.274CS..EExtended strand (participates in β ladder)trans-121.1136.6-171.5-69.3-164.17400112.6R203 F223 R323 L324 A327 F363 V372 T374R203-M221 VanDerWaalsContact NH1-CE 3.29Å; M221-F223 HydrophobicContact CB-CE2 3.86Å; M221-F223 HydrophobicContact CB-CZ 3.8Å; M221-F223 HydrophobicContact CE-CE1 3.6Å; M221-F223 HydrophobicContact CE-CZ 3.51Å; M221-F223 HydrophobicContact CG-CZ 4.49Å; M221-F223 HydrophobicContact SD-CZ 3.92Å; M221-R323 HydrophobicContact CE-CB 3.5Å; M221-R323 HydrophobicContact SD-CB 3.57Å; M221-R323 VanDerWaalsContact SD-CB 3.57Å; M221-L324 HydrophobicContact CB-CD1 4.17Å; M221-L324 HydrophobicContact CG-CD1 4.39Å; M221-L324 WeakPolarHBondContact SD-CA 3.16Å; M221-L324 HydrophobicContact SD-CB 3.82Å; M221-L324 HydrophobicContact SD-CD1 4.01Å; M221-L324 PolarHBondContact SD-N 3.17Å; M221-A327 HydrophobicContact CG-CB 4.26Å; M221-A327 HydrophobicContact SD-CB 4.47Å; M221-F363 HydrophobicContact CB-CB 4.41Å; M221-F363 PolarHBondContact N-O 3.36Å; M221-F363 WeakPolarHBondContact O-CB 3.45Å; M221-F363 PolarHBondContact O-N 2.98Å; M221-V372 HydrophobicContact CG-CB 4.32Å; M221-V372 HydrophobicContact CG-CG1 3.92Å; M221-V372 HydrophobicContact SD-CG1 4.39Å; M221-T374 WeakPolarHBondContact CA-OG1 3.36Å
222V92.3Very high90.1Very high0 Ų060 Ų600%028%0.278CS..EExtended strand (participates in β ladder)trans-116.2137.1173-171.50000109.5R203 L205 I218 V360 V361 I362 T374 L376R203-V222 PolarHBondContact NH1-O 2.98Å; R203-V222 VanDerWaalsContact NH1-O 3.16Å; L205-V222 HydrophobicContact CD2-CB 3.64Å; L205-V222 HydrophobicContact CD2-CG1 3.39Å; I218-V222 HydrophobicContact CB-CG2 4.14Å; I218-V222 HydrophobicContact CD1-CG2 3.52Å; I218-V222 HydrophobicContact CG1-CG2 4.42Å; I218-V222 HydrophobicContact CG2-CG2 4Å; V222-V360 HydrophobicContact CG1-CB 3.89Å; V222-V360 HydrophobicContact CG1-CG1 4.18Å; V222-V360 HydrophobicContact CG1-CG2 4.3Å; V222-V361 WeakPolarHBondContact CA-O 3.21Å; V222-I362 HydrophobicContact CG1-CG1 3.95Å; V222-I362 HydrophobicContact CG2-CG1 4.15Å; V222-I362 HydrophobicContact CG2-CG2 4.28Å; V222-T374 HydrophobicContact CB-CG2 4.11Å; V222-T374 HydrophobicContact CG2-CG2 4.08Å; V222-L376 HydrophobicContact CG1-CD1 4.28Å
223F92.3Very high90.1Very high4 Ų464.8 Ų64.82%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-125133.5177.4-56.4-73.4000110.2R203 M221 R225 L315 D320 L324 V360 V361 F363R203-F223 VanDerWaalsContact NH1-CD1 3.34Å; M221-F223 HydrophobicContact CB-CE2 3.86Å; M221-F223 HydrophobicContact CB-CZ 3.8Å; M221-F223 HydrophobicContact CE-CE1 3.6Å; M221-F223 HydrophobicContact CE-CZ 3.51Å; M221-F223 HydrophobicContact CG-CZ 4.49Å; M221-F223 HydrophobicContact SD-CZ 3.92Å; F223-R225 PolarHBondContact O-N 3.39Å; F223-L315 HydrophobicContact CB-CD2 4.08Å; F223-L315 HydrophobicContact CD1-CD2 3.49Å; F223-L315 VanDerWaalsContact CD1-CD2 3.49Å; F223-L315 HydrophobicContact CD2-CD2 3.83Å; F223-L315 HydrophobicContact CE1-CD1 3.98Å; F223-L315 HydrophobicContact CE1-CD2 3.8Å; F223-L315 HydrophobicContact CE2-CD1 4.04Å; F223-L315 HydrophobicContact CE2-CD2 4.08Å; F223-L315 HydrophobicContact CG-CD2 3.51Å; F223-L315 HydrophobicContact CZ-CD1 3.69Å; F223-L315 HydrophobicContact CZ-CD2 4.06Å; F223-D320 HydrophobicContact CD1-CB 4.4Å; F223-D320 HydrophobicContact CE1-CB 3.67Å; F223-L324 HydrophobicContact CE2-CD1 4.16Å; F223-L324 HydrophobicContact CE2-CD2 4.27Å; F223-L324 HydrophobicContact CZ-CB 4.37Å; F223-L324 HydrophobicContact CZ-CD1 4.29Å; F223-L324 HydrophobicContact CZ-CD2 4.37Å; F223-V360 CarbonylContact O-C 3.59Å; F223-V360 WeakPolarHBondContact O-CA 3.25Å; F223-V360 WeakPolarHBondContact O-CB 3.47Å; F223-V361 PolarHBondContact N-O 3.45Å; F223-V361 PolarHBondContact O-N 3.22Å; F223-F363 AromaticContact CD2-CD2 3.72Å; F223-F363 HydrophobicContact CD2-CD2 3.72Å; F223-F363 AromaticContact CD2-CE2 3.64Å; F223-F363 HydrophobicContact CD2-CE2 3.64Å; F223-F363 AromaticContact CE2-CD2 3.57Å; F223-F363 HydrophobicContact CE2-CD2 3.57Å; F223-F363 AromaticContact CE2-CE2 3.64Å; F223-F363 HydrophobicContact CE2-CE2 3.64Å; F223-F363 HydrophobicContact CE2-CG 4.39Å
224R90.2Very high90.1Very high122 Ų12260 Ų6046%0.4628%0.275SS..SBendtrans-77.869.5173.3-65.9-174.3-169.4178.86111.1L205 K206 V360L205-R224 HydrophobicContact CD1-CG 4.14Å; L205-R224 HydrophobicContact CD2-CG 4.09Å; L205-R224 HydrophobicContact CG-CG 4.38Å; K206-R224 PolarHBondContact O-NE 2.92Å; K206-R224 PolarHBondContact O-NH2 3.18Å; R224-V360 HydrophobicContact CG-CG1 4.46Å
225R88.2Confident90Very high82 Ų8259.8 Ų59.831%0.30927%0.272SS..SBendtrans-151164.8175.8-75.3-161.8168.8171.21.9110F223 K314 S316 S359 V360 V361F223-R225 PolarHBondContact O-N 3.39Å; R225-K314 WeakPolarHBondContact CD-O 3.21Å; R225-K314 PolarHBondContact NH1-O 2.72Å; R225-S316 PolarHBondContact NH2-OG 3.29Å; R225-S359 CarbonylContact C-O 3.47Å; R225-S359 PolarHBondContact N-O 3.3Å; R225-S359 CarbonylContact O-C 3.57Å; R225-V360 CarbonylContact O-C 3.53Å; R225-V360 VanDerWaalsContact O-C 3.31Å; R225-V360 WeakPolarHBondContact O-CA 3.34Å; R225-V361 WeakPolarHBondContact O-CG2 3.26Å; R225-V361 PolarHBondContact O-N 3.22Å
226E87.3Confident89.8Confident116 Ų11665.4 Ų65.454%0.54230%0.301SS..  trans-91.5162.6166.9-68.3-176174.700111S359E226-S359 WeakPolarHBondContact OE1-CB 3.31Å; E226-S359 PolarHBondContact OE1-OG 3.28Å
227T90.1Very high89.6Confident15 Ų1559.3 Ų59.39%0.09228%0.275CS..  trans-71.2136.116249.30000109G229 M311 V313 V361T227-G229 VanDerWaalsContact C-N 3.29Å; T227-M311 HydrophobicContact CG2-CE 3.23Å; T227-M311 HydrophobicContact CG2-CG 4.09Å; T227-M311 HydrophobicContact CG2-SD 4.48Å; T227-V313 HydrophobicContact CG2-CG2 4.35Å; T227-V361 HydrophobicContact CG2-CG2 3.94Å
228E88.8Confident89.6Confident88 Ų8861.6 Ų61.641%0.41128%0.284SS..SBendtrans-76.6-24177.2-59-77.5179.500110.9L302 V312 K314E228-L302 HydrophobicContact CB-CD1 3.94Å; E228-L302 HydrophobicContact CB-CD2 4.41Å; E228-L302 WeakPolarHBondContact O-CD2 3.5Å; E228-V312 PolarHBondContact N-O 2.84Å; E228-V312 VanDerWaalsContact N-O 3.08Å; E228-K314 HydrophobicContact CG-CB 4.17Å; E228-K314 WeakPolarHBondContact OE1-CD 3.46Å
229G85.1Confident89.7Confident9 Ų961.1 Ų61.19%0.09328%0.282CS..SBendtrans-93.5175.2-177.300000114.9T227 N306T227-G229 VanDerWaalsContact C-N 3.29Å; G229-N306 WeakPolarHBondContact CA-OD1 3.39Å
230E88.7Confident90Very high154 Ų15457.4 Ų57.472%0.7227%0.266SS*.SBendtrans-73.9-27.1177.8-67.9178.5-170.900112.8K232 N306E230-K232 PolarHBondContact O-N 2.89Å; E230-N306 PolarHBondContact N-OD1 2.99Å
231V89.2Confident90.3Very high28 Ų2857.4 Ų57.417%0.1727%0.266CS..  trans-77.7107.8-179.1-176.80000109.9V234 N309 M311V231-V234 HydrophobicContact CG1-CG2 3.76Å; V231-N309 HydrophobicContact CG2-CB 4.24Å; V231-M311 HydrophobicContact CB-CB 4.35Å; V231-M311 HydrophobicContact CG1-CB 4.27Å; V231-M311 WeakPolarHBondContact O-CG 3.38Å
232K89.7Confident90.4Very high119 Ų11957.4 Ų57.452%0.51727%0.266SS..  trans-89.4-23.9-179.8-70.9-169.6175.6-167.30114.4E230 M311 Y351 S352E230-K232 PolarHBondContact O-N 2.89Å; K232-M311 WeakPolarHBondContact O-CE 3.29Å; K232-Y351 CarbonylContact O-C 3.57Å; K232-Y351 WeakPolarHBondContact O-CA 3.37Å; K232-S352 WeakPolarHBondContact CB-OG 3.11Å; K232-S352 WeakPolarHBondContact CG-OG 3.03Å; K232-S352 PolarHBondContact O-N 3.29Å
233E91.7Very high90.4Very high114 Ų11460.5 Ų60.553%0.53329%0.287SS..EExtended strand (participates in β ladder)trans-136.8135.2-173.6-59.1-171.8166.500111.5V350E233-V350 CarbonylContact C-O 3.29Å; E233-V350 WeakPolarHBondContact CA-O 3.18Å
234V91Very high90.3Very high9 Ų960.8 Ų60.86%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-138.5122.7176.3-178.90000109.9V231 K289 V290 M311 V350V231-V234 HydrophobicContact CG1-CG2 3.76Å; V234-K289 HydrophobicContact CG1-CB 3.77Å; V234-K289 HydrophobicContact CG1-CD 3.75Å; V234-K289 HydrophobicContact CG1-CG 4.46Å; V234-V290 HydrophobicContact CB-CG2 4.09Å; V234-V290 HydrophobicContact CG1-CG2 4.03Å; V234-V290 HydrophobicContact CG2-CG2 4.16Å; V234-M311 HydrophobicContact CG2-CB 3.81Å; V234-M311 HydrophobicContact CG2-SD 4Å; V234-V350 PolarHBondContact N-O 3.04Å; V234-V350 PolarHBondContact O-N 3.36Å
235F90.7Very high90.4Very high122 Ų12257.4 Ų57.454%0.53528%0.284SS..EExtended strand (participates in β ladder)trans-98.1139170.8-62.4-83.7000111.2G237 K289 H349F235-G237 PolarHBondContact O-N 3.43Å; F235-K289 PolarHBondContact O-NZ 3.09Å; F235-H349 AromaticContact CD1-CD2 3.45Å; F235-H349 VanDerWaalsContact CD1-CD2 3.45Å; F235-H349 WeakPolarHBondContact CD1-CD2 3.05Å; F235-H349 AromaticContact CE1-CD2 3.19Å; F235-H349 WeakPolarHBondContact CE1-CD2 3.35Å; F235-H349 AromaticContact CE1-CG 3.98Å; F235-H349 AromaticContact CE1-NE2 3.34Å; F235-H349 VanDerWaalsContact CE1-NE2 3.34Å; F235-H349 WeakPolarHBondContact CE1-NE2 3.5Å; F235-H349 AromaticContact CZ-CD2 3.74Å; F235-H349 AromaticContact CZ-NE2 3.48Å; F235-H349 WeakPolarHBondContact CZ-NE2 3.42Å
236N87.5Confident90.5Very high126 Ų12653.6 Ų53.667%0.67427%0.269SS*.EExtended strand (participates in β ladder)trans41.870.4177.3-69.3-37.1000111.6K289 I347 S348N236-K289 PolarHBondContact O-NZ 3.08Å; N236-K289 VanDerWaalsContact O-NZ 3.08Å; N236-I347 CarbonylContact C-O 3.52Å; N236-I347 VanDerWaalsContact CA-O 3.26Å; N236-I347 WeakPolarHBondContact CA-O 3.41Å; N236-S348 PolarHBondContact N-O 2.92Å
237G87.5Confident90.6Very high3 Ų350.8 Ų50.83%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-109.2148.1-174.500000112.7F235 I347F235-G237 PolarHBondContact O-N 3.43Å; G237-I347 PolarHBondContact N-O 3.42Å; G237-I347 PolarHBondContact O-N 2.88Å
238K92.5Very high90.3Very high91 Ų9151.8 Ų51.840%0.39627%0.268SS..EExtended strand (participates in β ladder)trans-83.3135.6161.6-58.2-172.4-170.7174.60109.1A286 G287 K289 V290 L344 G345K238-A286 PolarHBondContact NZ-O 3.22Å; K238-G287 WeakPolarHBondContact CB-O 3.13Å; K238-K289 PolarHBondContact O-N 3.43Å; K238-V290 PolarHBondContact O-N 3.47Å; K238-L344 HydrophobicContact CD-CD1 3.76Å; K238-G345 CarbonylContact C-O 3.58Å; K238-G345 VanDerWaalsContact CA-O 3.31Å; K238-G345 WeakPolarHBondContact CA-O 3.4Å
239V93.2Very high90Very high0 Ų053.1 Ų53.10%028%0.277CS..EExtended strand (participates in β ladder)trans-109.6126.3-177.8-172.40000109.2I241 V290 V292 T328 G345 I347V239-I241 HydrophobicContact CG1-CG1 4.02Å; V239-V290 WeakPolarHBondContact CA-O 3.49Å; V239-V290 HydrophobicContact CG1-CB 4.4Å; V239-V290 HydrophobicContact CG1-CG1 4.37Å; V239-V290 HydrophobicContact CG2-CB 4.19Å; V239-V292 HydrophobicContact CG1-CG2 3.96Å; V239-T328 HydrophobicContact CG2-CG2 4.31Å; V239-G345 PolarHBondContact N-O 2.69Å; V239-G345 PolarHBondContact O-N 2.96Å; V239-I347 HydrophobicContact CG2-CB 3.78Å; V239-I347 HydrophobicContact CG2-CG2 3.42Å; V239-I347 VanDerWaalsContact CG2-CG2 3.42Å
240A94.7Very high89.8Confident2 Ų261.2 Ų61.22%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-107129.3167.600000109.3F242 V288 V290 V292 P339 L344A240-F242 HydrophobicContact CB-CE2 3.72Å; A240-F242 HydrophobicContact CB-CZ 4.13Å; A240-V288 HydrophobicContact CB-CG1 3.69Å; A240-V288 HydrophobicContact CB-CG2 3.97Å; A240-V290 PolarHBondContact N-O 3.46Å; A240-V292 PolarHBondContact O-N 3.41Å; A240-P339 HydrophobicContact CB-CG 4.32Å; A240-L344 HydrophobicContact CB-CD2 3.97Å
241I94.7Very high89.7Confident1 Ų158.4 Ų58.41%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-112.3121.5-179.2-57.1-174.3000108.5V239 V292 V321 L324 A330 A332 L333V239-I241 HydrophobicContact CG1-CG1 4.02Å; I241-V292 HydrophobicContact CG1-CB 4.23Å; I241-V292 HydrophobicContact CG1-CG2 4.48Å; I241-V321 HydrophobicContact CG2-CG1 3.6Å; I241-L324 HydrophobicContact CD1-CB 4.25Å; I241-L324 HydrophobicContact CD1-CD2 4.13Å; I241-L324 HydrophobicContact CD1-CG 3.99Å; I241-A330 HydrophobicContact CB-CB 4.49Å; I241-A330 HydrophobicContact CD1-CB 3.65Å; I241-A330 HydrophobicContact CG1-CB 3.81Å; I241-A332 HydrophobicContact CG2-CB 4.14Å; I241-A332 WeakPolarHBondContact O-CA 3.36Å; I241-L333 PolarHBondContact O-N 2.89Å
242F93.8Very high89.6Confident0 Ų066.8 Ų66.80%034%0.344CS..EExtended strand (participates in β ladder)trans-113129.8177.4-65-77.6000109.9A240 C244 L246 L283 I291 V292 S293 G294 L333 Q335A240-F242 HydrophobicContact CB-CE2 3.72Å; A240-F242 HydrophobicContact CB-CZ 4.13Å; F242-C244 VanDerWaalsContact C-N 3.3Å; F242-L246 HydrophobicContact CD2-CD2 3.95Å; F242-L246 HydrophobicContact CG-CD2 4.37Å; F242-L283 HydrophobicContact CE2-CD1 4.16Å; F242-L283 HydrophobicContact CE2-CD2 4.26Å; F242-L283 HydrophobicContact CZ-CD1 4.28Å; F242-L283 HydrophobicContact CZ-CD2 3.73Å; F242-I291 HydrophobicContact CD2-CG2 3.76Å; F242-I291 HydrophobicContact CE2-CG2 3.91Å; F242-V292 PolarHBondContact N-O 3.09Å; F242-S293 CarbonylContact O-C 3.55Å; F242-G294 PolarHBondContact O-N 3.41Å; F242-L333 CarbonylContact C-O 3.51Å; F242-L333 WeakPolarHBondContact CA-O 3.18Å; F242-L333 HydrophobicContact CD1-CB 3.82Å; F242-L333 HydrophobicContact CE1-CB 4Å; F242-L333 HydrophobicContact CE1-CD1 3.88Å; F242-L333 HydrophobicContact CZ-CD1 4.47Å; F242-Q335 WeakPolarHBondContact CD1-O 3.27Å; F242-Q335 WeakPolarHBondContact CE1-O 3.33Å
243S92.1Very high89.7Confident65 Ų6566.5 Ų66.546%0.45535%0.352SS..SBendtrans-81.2-13.416963.40000112.7L333 P334S243-L333 PolarHBondContact N-O 3.29Å; S243-L333 PolarHBondContact OG-O 3.38Å; S243-P334 WeakPolarHBondContact OG-CA 3.17Å
244C89.2Confident89.4Confident10 Ų1070.6 Ų70.67%0.06837%0.368CS..SBendtrans-83.8159.5174.465.80000112.2F242 S293 P334F242-C244 VanDerWaalsContact C-N 3.3Å; C244-S293 PolarHBondContact O-OG 3.21Å; C244-P334 WeakPolarHBondContact CB-O 3.31Å
245P91.8Very high89Confident52 Ų5272.9 Ų72.934%0.33839%0.394SS..  trans-59.9149.4163.628.2-35.1000110.9D247 K296P245-D247 VanDerWaalsContact C-N 3.29Å; P245-D247 PolarHBondContact O-N 3.01Å; P245-K296 CarbonylContact C-O 3.5Å; P245-K296 WeakPolarHBondContact CA-O 3.23Å; P245-K296 HydrophobicContact CB-CB 4.41Å; P245-K296 VanDerWaalsContact CB-O 3.24Å; P245-K296 WeakPolarHBondContact CB-O 3.17Å
246L90.5Very high88.8Confident1 Ų172.2 Ų72.21%0.00540%0.4CS..BIsolated β-bridgetrans-86.774168.6-64.5174.7000108.7F242 I291 K296 V297 G298 A301 V312 L336F242-L246 HydrophobicContact CD2-CD2 3.95Å; F242-L246 HydrophobicContact CG-CD2 4.37Å; L246-I291 HydrophobicContact CD1-CG2 3.58Å; L246-I291 HydrophobicContact CD2-CG2 3.89Å; L246-I291 HydrophobicContact CG-CG2 4.34Å; L246-K296 PolarHBondContact N-O 3.46Å; L246-V297 HydrophobicContact CB-CG1 4.37Å; L246-V297 HydrophobicContact CD1-CG1 4.38Å; L246-V297 HydrophobicContact CD1-CG2 4.25Å; L246-G298 PolarHBondContact O-N 3.2Å; L246-A301 HydrophobicContact CB-CB 4.39Å; L246-A301 VanDerWaalsContact O-CB 3.24Å; L246-A301 WeakPolarHBondContact O-CB 3.04Å; L246-V312 HydrophobicContact CD1-CG1 3.8Å; L246-L336 HydrophobicContact CB-CD1 4.45Å; L246-L336 HydrophobicContact CD2-CD1 3.59Å; L246-L336 HydrophobicContact CD2-CG 4.45Å
247D90.3Very high88.7Confident58 Ų5870.3 Ų70.331%0.3139%0.392SS..SBendtrans-156.9172.2-178.9-156.80.4000110.2P245 L249P245-D247 VanDerWaalsContact C-N 3.29Å; P245-D247 PolarHBondContact O-N 3.01Å; D247-L249 PolarHBondContact O-N 2.64Å
248A83.9Confident88.8Confident36 Ų3677.2 Ų77.230%0.29843%0.428SS..  trans-57126.3169.100000110Q250A248-Q250 PolarHBondContact O-N 2.94Å; A248-Q250 VanDerWaalsContact O-N 3.11Å
249L81.3Confident88.8Confident116 Ų11676.4 Ų76.461%0.60743%0.427SS*.  trans-66.4114.2-178.5-72.6169.6000109.9D247D247-L249 PolarHBondContact O-N 2.64Å
250Q82.4Confident88.8Confident178 Ų17882.5 Ų82.583%0.83247%0.465SS*.  trans-79.6140.4170.5-65.5-176.9-2.900110A248A248-Q250 PolarHBondContact O-N 2.94Å; A248-Q250 VanDerWaalsContact O-N 3.11Å
251T85.5Confident88.7Confident95 Ų9585 Ų8558%0.58348%0.482SS*.  trans-67.2145.7170.550.40000110.1T253T251-T253 CarbonylContact C-O 3.54Å; T251-T253 WeakPolarHBondContact CB-O 3.39Å; T251-T253 PolarHBondContact O-N 3.46Å; T251-T253 PolarHBondContact OG1-O 2.74Å
252E88.1Confident88.7Confident205 Ų20588.6 Ų88.696%0.95851%0.512SS*.SBendtrans-61.9-32.6176.5-63.8-174.4160.400112.1
253T91.1Very high88.7Confident112 Ų11293.5 Ų93.569%0.68754%0.538SS*.SBendtrans-80.2149168.9-54.70000109.5T251 G255T251-T253 CarbonylContact C-O 3.54Å; T251-T253 WeakPolarHBondContact CB-O 3.39Å; T251-T253 PolarHBondContact O-N 3.46Å; T251-T253 PolarHBondContact OG1-O 2.74Å; T253-G255 PolarHBondContact O-N 3.4Å
254K86.5Confident88.7Confident200 Ų20094.3 Ų94.387%0.8754%0.535SS*.  trans-49.8102.7174.3-71.4-174177.7-177.30110.6
255G81.9Confident88.8Confident58 Ų5898.6 Ų98.660%0.59856%0.556SS**  trans-9196.9173.700000109.1T253T253-G255 PolarHBondContact O-N 3.4Å
256T86Confident88.9Confident108 Ų10899.4 Ų99.466%0.66356%0.56SS**  trans-90.2124.5172.652.30000109.5L258T256-L258 PolarHBondContact O-N 3.38Å
257V85.8Confident89Confident86 Ų86106.4 Ų106.452%0.52159%0.591SS.*  trans-74.6114.8171.3-1730000108L259 F268V257-L259 HydrophobicContact CG1-CD1 4.47Å; V257-L259 HydrophobicContact CG1-CD2 3.85Å; V257-L259 HydrophobicContact CG1-CG 3.95Å; V257-F268 HydrophobicContact CB-CZ 4.42Å; V257-F268 HydrophobicContact CG1-CD2 3.9Å; V257-F268 HydrophobicContact CG1-CE1 4.38Å; V257-F268 HydrophobicContact CG1-CE2 3.7Å; V257-F268 HydrophobicContact CG1-CG 4.32Å; V257-F268 HydrophobicContact CG1-CZ 3.97Å; V257-F268 HydrophobicContact CG2-CE1 4.42Å; V257-F268 HydrophobicContact CG2-CE2 3.97Å; V257-F268 HydrophobicContact CG2-CZ 3.69Å
258L90.5Very high89.1Confident148 Ų148107.9 Ų107.978%0.77560%0.595SS**  trans-92.3111.7175.9-67.3174.5000108.8T256T256-L258 PolarHBondContact O-N 3.38Å
259L91.3Very high89.4Confident74 Ų74108.9 Ų108.939%0.38760%0.6SS.*  trans-111.6124.1176.3-58.5172.5000108.3V257 E264 L265 F268V257-L259 HydrophobicContact CG1-CD1 4.47Å; V257-L259 HydrophobicContact CG1-CD2 3.85Å; V257-L259 HydrophobicContact CG1-CG 3.95Å; L259-E264 HydrophobicContact CD2-CB 4.04Å; L259-L265 HydrophobicContact CD1-CB 4.03Å; L259-L265 HydrophobicContact CD1-CD1 4.27Å; L259-L265 HydrophobicContact CD1-CG 4.09Å; L259-F268 HydrophobicContact CD2-CB 4.15Å; L259-F268 HydrophobicContact CD2-CG 4.43Å
260T93.8Very high90Very high128 Ų128109.8 Ų109.879%0.78560%0.599SS**  trans-106.6-25.4-179.161.60000112.9E264T260-E264 PolarHBondContact N-OE2 3.3Å; T260-E264 PolarHBondContact OG1-OE1 2.81Å; T260-E264 PolarHBondContact OG1-OE2 3.44Å
261S93.1Very high90.5Very high55 Ų55103 Ų10339%0.38558%0.576SS.*SBendtrans-123.1150.4-179.5179.30000112.3D263 E264 L265S261-D263 PolarHBondContact O-N 3.49Å; S261-D263 PolarHBondContact OG-N 2.92Å; S261-E264 PolarHBondContact N-OE2 3.33Å; S261-E264 WeakPolarHBondContact O-CB 3.43Å; S261-E264 PolarHBondContact O-N 3.12Å; S261-E264 VanDerWaalsContact O-N 3.09Å; S261-L265 PolarHBondContact O-N 3.31Å
262A93.6Very high90.7Very high76 Ų76101.5 Ų101.563%0.62856%0.562SS**Hα-helixtrans-60.8-31.7173.900000112.4E264 L265 T266A262-E264 VanDerWaalsContact C-N 3.32Å; A262-E264 PolarHBondContact O-N 3.36Å; A262-L265 PolarHBondContact O-N 2.65Å; A262-T266 PolarHBondContact O-N 3.32Å; A262-T266 PolarHBondContact O-OG1 3.34Å
263D93.7Very high90.9Very high103 Ų10395.2 Ų95.255%0.55153%0.533SS*.Hα-helixtrans-68.2-32.5175.7-70.2-14.6000112S261 T266 K267S261-D263 PolarHBondContact O-N 3.49Å; S261-D263 PolarHBondContact OG-N 2.92Å; D263-T266 PolarHBondContact O-OG1 3.4Å; D263-T266 VanDerWaalsContact O-OG1 3.06Å; D263-K267 WeakPolarHBondContact O-CB 3.14Å; D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 2.83Å
264E93.7Very high91Very high81 Ų8193.6 Ų93.638%0.37952%0.52SS..Hα-helixtrans-68.6-39.5175.7-67.8174.4164.900110.7L259 T260 S261 A262 K267 F268L259-E264 HydrophobicContact CD2-CB 4.04Å; T260-E264 PolarHBondContact N-OE2 3.3Å; T260-E264 PolarHBondContact OG1-OE1 2.81Å; T260-E264 PolarHBondContact OG1-OE2 3.44Å; S261-E264 PolarHBondContact N-OE2 3.33Å; S261-E264 WeakPolarHBondContact O-CB 3.43Å; S261-E264 PolarHBondContact O-N 3.12Å; S261-E264 VanDerWaalsContact O-N 3.09Å; A262-E264 VanDerWaalsContact C-N 3.32Å; A262-E264 PolarHBondContact O-N 3.36Å; E264-K267 PolarHBondContact O-N 2.85Å; E264-F268 WeakPolarHBondContact O-CB 3.39Å; E264-F268 PolarHBondContact O-N 3.03Å
265L91.2Very high91.2Very high100 Ų10088.3 Ų88.352%0.52450%0.501SS..Hα-helixtrans-61.3-48176.5-173.2152000111.7L259 S261 A262 F268 S269L259-L265 HydrophobicContact CD1-CB 4.03Å; L259-L265 HydrophobicContact CD1-CD1 4.27Å; L259-L265 HydrophobicContact CD1-CG 4.09Å; S261-L265 PolarHBondContact O-N 3.31Å; A262-L265 PolarHBondContact O-N 2.65Å; L265-F268 PolarHBondContact O-N 3.29Å; L265-S269 PolarHBondContact O-N 3.08Å
266T92.5Very high91.6Very high69 Ų6985.7 Ų85.742%0.42347%0.473SS..Hα-helixtrans-67.1-37.2179.556.30000112.5A262 D263 K270A262-T266 PolarHBondContact O-N 3.32Å; A262-T266 PolarHBondContact O-OG1 3.34Å; D263-T266 PolarHBondContact O-OG1 3.4Å; D263-T266 VanDerWaalsContact O-OG1 3.06Å; T266-K270 WeakPolarHBondContact O-CG 3.47Å; T266-K270 PolarHBondContact O-N 2.71Å
267K93.6Very high92Very high148 Ų14882 Ų8264%0.64345%0.449SS*.Hα-helixtrans-69.1-38.4174.1-74172.4-174.9171.50112.5D263 E264 G271D263-K267 WeakPolarHBondContact O-CB 3.14Å; D263-K267 WeakPolarHBondContact O-CG 3.46Å; D263-K267 PolarHBondContact O-N 2.83Å; E264-K267 PolarHBondContact O-N 2.85Å; K267-G271 PolarHBondContact O-N 3.43Å
268F92.2Very high92.3Very high90 Ų9084.5 Ų84.540%0.39545%0.453SS..Hα-helixtrans-63.4-49.8178.1179.3-95.1000110.7V257 L259 E264 L265 K270 G271 E272V257-F268 HydrophobicContact CB-CZ 4.42Å; V257-F268 HydrophobicContact CG1-CD2 3.9Å; V257-F268 HydrophobicContact CG1-CE1 4.38Å; V257-F268 HydrophobicContact CG1-CE2 3.7Å; V257-F268 HydrophobicContact CG1-CG 4.32Å; V257-F268 HydrophobicContact CG1-CZ 3.97Å; V257-F268 HydrophobicContact CG2-CE1 4.42Å; V257-F268 HydrophobicContact CG2-CE2 3.97Å; V257-F268 HydrophobicContact CG2-CZ 3.69Å; L259-F268 HydrophobicContact CD2-CB 4.15Å; L259-F268 HydrophobicContact CD2-CG 4.43Å; E264-F268 WeakPolarHBondContact O-CB 3.39Å; E264-F268 PolarHBondContact O-N 3.03Å; L265-F268 PolarHBondContact O-N 3.29Å; F268-K270 PolarHBondContact O-N 3.47Å; F268-G271 PolarHBondContact O-N 3.17Å; F268-G271 VanDerWaalsContact O-N 3.14Å; F268-E272 PolarHBondContact O-N 3.31Å
269S90.6Very high92.4Very high57 Ų5780.2 Ų80.240%0.39943%0.428SS..Hα-helixtrans-56.6-48.7177.1-168.80000111.9L265 G271 E272 E273L265-S269 PolarHBondContact O-N 3.08Å; S269-G271 PolarHBondContact O-N 3.32Å; S269-E272 PolarHBondContact O-N 2.98Å; S269-E273 WeakPolarHBondContact O-CG 3.48Å; S269-E273 PolarHBondContact O-N 3.14Å
270K93Very high92.5Very high135 Ų13576.8 Ų76.859%0.58741%0.41SS*.Hα-helixtrans-66.4-36.4177.3-70.4179.3179.7-177.60112.7T266 F268 E273 D274T266-K270 WeakPolarHBondContact O-CG 3.47Å; T266-K270 PolarHBondContact O-N 2.71Å; F268-K270 PolarHBondContact O-N 3.47Å; K270-E273 PolarHBondContact O-N 3.11Å; K270-D274 WeakPolarHBondContact O-CB 3.46Å; K270-D274 VanDerWaalsContact O-CG 3.23Å; K270-D274 PolarHBondContact O-N 3.44Å
271G92Very high92.5Very high35 Ų3576.4 Ų76.436%0.36140%0.395SS..Hα-helixtrans-66.8-37.9179.300000112.6K267 F268 S269 L275K267-G271 PolarHBondContact O-N 3.43Å; F268-G271 PolarHBondContact O-N 3.17Å; F268-G271 VanDerWaalsContact O-N 3.14Å; S269-G271 PolarHBondContact O-N 3.32Å; G271-L275 WeakPolarHBondContact O-CB 3.43Å; G271-L275 PolarHBondContact O-N 3.25Å
272E89.8Confident92.5Very high63 Ų6375.3 Ų75.329%0.29439%0.387SS..Hα-helixtrans-66.2-46.2173.9-172.5175.4-177.300111.4F268 S269 L275 M276 L300F268-E272 PolarHBondContact O-N 3.31Å; S269-E272 PolarHBondContact O-N 2.98Å; E272-L275 PolarHBondContact O-N 3.48Å; E272-M276 WeakPolarHBondContact O-CG 3.49Å; E272-M276 PolarHBondContact O-N 3.43Å; E272-L300 HydrophobicContact CG-CD1 4.47Å
273E92.4Very high92.5Very high73 Ų7371.7 Ų71.734%0.34136%0.357SS..Hα-helixtrans-56.6-50.6173-75.1175.4-169.100111.9S269 K270 L275 M276 E277 L300S269-E273 WeakPolarHBondContact O-CG 3.48Å; S269-E273 PolarHBondContact O-N 3.14Å; K270-E273 PolarHBondContact O-N 3.11Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.87Å; E273-M276 PolarHBondContact O-N 2.91Å; E273-E277 WeakPolarHBondContact O-CB 3.37Å; E273-E277 PolarHBondContact O-N 3.13Å; E273-L300 HydrophobicContact CG-CD2 4.47Å
274D93Very high92.5Very high79 Ų7968.8 Ų68.842%0.42234%0.344SS..Hα-helixtrans-63.1-37.6179-76.2-19.3000112.3K270 K278K270-D274 WeakPolarHBondContact O-CB 3.46Å; K270-D274 VanDerWaalsContact O-CG 3.23Å; K270-D274 PolarHBondContact O-N 3.44Å; D274-K278 WeakPolarHBondContact O-CB 3.35Å; D274-K278 WeakPolarHBondContact O-CD 3.25Å; D274-K278 WeakPolarHBondContact O-CG 3.42Å; D274-K278 PolarHBondContact O-N 3.06Å
275L91.2Very high92.5Very high88 Ų8871.5 Ų71.546%0.46136%0.362SS..Hα-helixtrans-66-49.1178.4-177.867.6000110.3G271 E272 E273 E277 K278 H279G271-L275 WeakPolarHBondContact O-CB 3.43Å; G271-L275 PolarHBondContact O-N 3.25Å; E272-L275 PolarHBondContact O-N 3.48Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.87Å; L275-E277 VanDerWaalsContact C-N 3.33Å; L275-E277 PolarHBondContact O-N 3.26Å; L275-K278 PolarHBondContact O-N 3.44Å; L275-H279 PolarHBondContact O-CD2 2.79Å; L275-H279 PolarHBondContact O-N 3.44Å
276M91.4Very high92.5Very high4 Ų468.2 Ų68.22%0.0235%0.349CS..Hα-helixtrans-64-39.5177.8-68.2-57.4-73.800111.7E272 E273 H279 M280 A301 Y304E272-M276 WeakPolarHBondContact O-CG 3.49Å; E272-M276 PolarHBondContact O-N 3.43Å; E273-M276 PolarHBondContact O-N 2.91Å; M276-H279 PolarHBondContact O-N 2.78Å; M276-M280 WeakPolarHBondContact O-CG 3.05Å; M276-M280 PolarHBondContact O-N 3.35Å; M276-A301 HydrophobicContact CE-CB 3.4Å; M276-A301 VanDerWaalsContact CE-CB 3.4Å; M276-Y304 HydrophobicContact CB-CD2 4.25Å; M276-Y304 HydrophobicContact CB-CE2 4.32Å
277E92.9Very high92.4Very high30 Ų3066.4 Ų66.414%0.1434%0.344CS..Hα-helixtrans-63.7-43175-172170.4-146.700111.8E273 L275 H279 M280 R281 Y304 K307E273-E277 WeakPolarHBondContact O-CB 3.37Å; E273-E277 PolarHBondContact O-N 3.13Å; L275-E277 VanDerWaalsContact C-N 3.33Å; L275-E277 PolarHBondContact O-N 3.26Å; E277-H279 PolarHBondContact O-N 2.89Å; E277-M280 PolarHBondContact O-N 3.07Å; E277-R281 VanDerWaalsContact CD-CZ 3.44Å; E277-R281 HydrophobicContact CG-CG 4.21Å; E277-R281 VanDerWaalsContact O-CB 3.28Å; E277-R281 WeakPolarHBondContact O-CB 3.18Å; E277-R281 VanDerWaalsContact O-CG 3.24Å; E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 3.41Å; E277-R281 IonicContact OE1-CZ 2.69Å; E277-R281 VanDerWaalsContact OE1-CZ 3.31Å; E277-R281 IonicContact OE1-NE 2.81Å; E277-R281 PolarHBondContact OE1-NE 3.49Å; E277-R281 IonicContact OE1-NH2 3.99Å; E277-R281 PolarHBondContact OE1-NH2 3.31Å; E277-R281 IonicContact OE2-CZ 3.97Å; E277-R281 IonicContact OE2-NH2 3.95Å; E277-R281 PolarHBondContact OE2-NH2 2.98Å; E277-R281 VanDerWaalsContact OE2-NH2 3.16Å; E277-Y304 HydrophobicContact CB-CD1 4.03Å; E277-Y304 HydrophobicContact CB-CD2 4.39Å; E277-Y304 HydrophobicContact CB-CE1 3.76Å; E277-Y304 HydrophobicContact CB-CE2 4.16Å; E277-Y304 HydrophobicContact CB-CG 4.34Å; E277-Y304 HydrophobicContact CG-CD1 3.88Å; E277-Y304 HydrophobicContact CG-CE1 3.79Å; E277-K307 IonicContact OE1-NZ 3.43Å
278K93.4Very high92.4Very high139 Ų13959.6 Ų59.660%0.60432%0.315SS*.Hα-helixtrans-61.2-43.6175.6-76.5166.6-172.2168.90112D274 L275 S282D274-K278 WeakPolarHBondContact O-CB 3.35Å; D274-K278 WeakPolarHBondContact O-CD 3.25Å; D274-K278 WeakPolarHBondContact O-CG 3.42Å; D274-K278 PolarHBondContact O-N 3.06Å; L275-K278 PolarHBondContact O-N 3.44Å; K278-S282 VanDerWaalsContact O-CB 3.31Å; K278-S282 WeakPolarHBondContact O-CB 3.43Å; K278-S282 PolarHBondContact O-N 2.86Å; K278-S282 PolarHBondContact O-OG 3.5Å
279H92.1Very high92.5Very high58 Ų5859.9 Ų59.927%0.26932%0.316SS..Hα-helixtrans-62.7-47.8177.3-79.1-61.4000111.5L275 M276 E277 S282 L283 L336L275-H279 PolarHBondContact O-CD2 2.79Å; L275-H279 PolarHBondContact O-N 3.44Å; M276-H279 PolarHBondContact O-N 2.78Å; E277-H279 PolarHBondContact O-N 2.89Å; H279-S282 PolarHBondContact O-N 3.39Å; H279-S282 PolarHBondContact O-OG 3.34Å; H279-L283 WeakPolarHBondContact O-CG 3.41Å; H279-L283 PolarHBondContact O-N 3.35Å; H279-L283 VanDerWaalsContact O-N 3.15Å; H279-L336 HydrophobicContact CB-CD2 3.43Å; H279-L336 VanDerWaalsContact CB-CD2 3.43Å; H279-L336 PolarHBondContact ND1-O 2.89Å
280M93.1Very high92.6Very high1 Ų157.2 Ų57.21%0.00530%0.297CS..Hα-helixtrans-68-39.4179.8-69.1-61166.400112.9M276 E277 S282 L283 S284 I291 A301 A305 L308 M310M276-M280 WeakPolarHBondContact O-CG 3.05Å; M276-M280 PolarHBondContact O-N 3.35Å; E277-M280 PolarHBondContact O-N 3.07Å; M280-S282 VanDerWaalsContact C-N 3.32Å; M280-S282 PolarHBondContact O-N 3.38Å; M280-L283 PolarHBondContact O-N 3.47Å; M280-L283 HydrophobicContact SD-CD1 4.11Å; M280-S284 PolarHBondContact O-N 3.31Å; M280-I291 HydrophobicContact SD-CD1 4.18Å; M280-A301 HydrophobicContact CE-CB 3.72Å; M280-A305 HydrophobicContact SD-CB 4.46Å; M280-L308 HydrophobicContact CB-CD1 3.83Å; M280-L308 WeakPolarHBondContact O-CD1 3.43Å; M280-M310 HydrophobicContact CB-CE 4.19Å; M280-M310 HydrophobicContact SD-CE 3.91Å
281R94.4Very high92.7Very high121 Ų12150.8 Ų50.846%0.45727%0.269SS..Hα-helixtrans-60.9-42.3173-75.2-179.8-174.9-178.46.1111.4E277 L283 S284 D285 L308E277-R281 VanDerWaalsContact CD-CZ 3.44Å; E277-R281 HydrophobicContact CG-CG 4.21Å; E277-R281 VanDerWaalsContact O-CB 3.28Å; E277-R281 WeakPolarHBondContact O-CB 3.18Å; E277-R281 VanDerWaalsContact O-CG 3.24Å; E277-R281 WeakPolarHBondContact O-CG 3.38Å; E277-R281 PolarHBondContact O-N 3.41Å; E277-R281 IonicContact OE1-CZ 2.69Å; E277-R281 VanDerWaalsContact OE1-CZ 3.31Å; E277-R281 IonicContact OE1-NE 2.81Å; E277-R281 PolarHBondContact OE1-NE 3.49Å; E277-R281 IonicContact OE1-NH2 3.99Å; E277-R281 PolarHBondContact OE1-NH2 3.31Å; E277-R281 IonicContact OE2-CZ 3.97Å; E277-R281 IonicContact OE2-NH2 3.95Å; E277-R281 PolarHBondContact OE2-NH2 2.98Å; E277-R281 VanDerWaalsContact OE2-NH2 3.16Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 2.65Å; R281-S284 CarbonylContact O-C 3.57Å; R281-S284 WeakPolarHBondContact O-CA 3.39Å; R281-S284 WeakPolarHBondContact O-CB 3.47Å; R281-S284 PolarHBondContact O-N 3.46Å; R281-S284 VanDerWaalsContact O-N 3.08Å; R281-D285 PolarHBondContact O-N 2.9Å; R281-L308 HydrophobicContact CG-CD1 4.36Å
282S93.2Very high92.8Very high31 Ų3149.1 Ų49.122%0.21725%0.252CS..Hα-helixtrans-67.1-30.6179.968.80000113.4K278 H279 M280 A286 T338K278-S282 VanDerWaalsContact O-CB 3.31Å; K278-S282 WeakPolarHBondContact O-CB 3.43Å; K278-S282 PolarHBondContact O-N 2.86Å; K278-S282 PolarHBondContact O-OG 3.5Å; H279-S282 PolarHBondContact O-N 3.39Å; H279-S282 PolarHBondContact O-OG 3.34Å; M280-S282 VanDerWaalsContact C-N 3.32Å; M280-S282 PolarHBondContact O-N 3.38Å; S282-A286 PolarHBondContact O-N 3.21Å; S282-T338 VanDerWaalsContact OG-CG2 3.28Å; S282-T338 WeakPolarHBondContact OG-CG2 3.38Å
283L93.8Very high93Very high1 Ų146.1 Ų46.11%0.00524%0.238CC..Hα-helixtrans-67.6-41.4168.5-64.5177.8000112.3F242 H279 M280 R281 A286 G287 V288 I291 M310 P339F242-L283 HydrophobicContact CE2-CD1 4.16Å; F242-L283 HydrophobicContact CE2-CD2 4.26Å; F242-L283 HydrophobicContact CZ-CD1 4.28Å; F242-L283 HydrophobicContact CZ-CD2 3.73Å; H279-L283 WeakPolarHBondContact O-CG 3.41Å; H279-L283 PolarHBondContact O-N 3.35Å; H279-L283 VanDerWaalsContact O-N 3.15Å; M280-L283 PolarHBondContact O-N 3.47Å; M280-L283 HydrophobicContact SD-CD1 4.11Å; R281-L283 VanDerWaalsContact C-N 3.31Å; R281-L283 PolarHBondContact O-N 2.65Å; L283-A286 PolarHBondContact O-N 3.35Å; L283-G287 PolarHBondContact O-N 3.09Å; L283-V288 WeakPolarHBondContact O-CB 3.24Å; L283-V288 WeakPolarHBondContact O-CG2 3.5Å; L283-V288 PolarHBondContact O-N 3.11Å; L283-V288 VanDerWaalsContact O-N 3.16Å; L283-I291 HydrophobicContact CD1-CD1 3.75Å; L283-M310 HydrophobicContact CB-SD 4.42Å; L283-P339 VanDerWaalsContact CD2-CD 3.4Å; L283-P339 HydrophobicContact CD2-CG 4.22Å
284S93Very high92.9Very high41 Ų4143.7 Ų43.729%0.28723%0.233SC..Hα-helixtrans-64.2-41.5175.9-172.10000111.8M280 R281 A286 G287M280-S284 PolarHBondContact O-N 3.31Å; R281-S284 CarbonylContact O-C 3.57Å; R281-S284 WeakPolarHBondContact O-CA 3.39Å; R281-S284 WeakPolarHBondContact O-CB 3.47Å; R281-S284 PolarHBondContact O-N 3.46Å; R281-S284 VanDerWaalsContact O-N 3.08Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 2.89Å; S284-G287 VanDerWaalsContact O-CA 3.3Å; S284-G287 WeakPolarHBondContact O-CA 3.41Å; S284-G287 PolarHBondContact O-N 3.41Å
285D93.4Very high92.7Very high139 Ų13941 Ų4174%0.74322%0.224SC*.Hα-helixtrans-63.5-33.3176.7-67.7-25.3000112R281 G287R281-D285 PolarHBondContact O-N 2.9Å; D285-G287 PolarHBondContact O-N 2.99Å
286A91.6Very high92.6Very high30 Ų3044.3 Ų44.325%0.24823%0.234CC..THydrogen-bonded Turntrans-69.2-10.9171.100000113.3K238 S282 L283 S284 V288K238-A286 PolarHBondContact NZ-O 3.22Å; S282-A286 PolarHBondContact O-N 3.21Å; L283-A286 PolarHBondContact O-N 3.35Å; S284-A286 VanDerWaalsContact C-N 3.29Å; S284-A286 PolarHBondContact O-N 2.89Å; A286-V288 HydrophobicContact CB-CG2 4.36Å
287G90.9Very high92.7Very high32 Ų3245.5 Ų45.533%0.3324%0.242SC..THydrogen-bonded Turntrans83.623.2-18000000113.9K238 L283 S284 D285K238-G287 WeakPolarHBondContact CB-O 3.13Å; L283-G287 PolarHBondContact O-N 3.09Å; S284-G287 VanDerWaalsContact O-CA 3.3Å; S284-G287 WeakPolarHBondContact O-CA 3.41Å; S284-G287 PolarHBondContact O-N 3.41Å; D285-G287 PolarHBondContact O-N 2.99Å
288V93.6Very high92.7Very high4 Ų444.5 Ų44.52%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-71.5126.6175.2-177.60000109.3A240 L283 A286 V290 I291 P339 L344A240-V288 HydrophobicContact CB-CG1 3.69Å; A240-V288 HydrophobicContact CB-CG2 3.97Å; L283-V288 WeakPolarHBondContact O-CB 3.24Å; L283-V288 WeakPolarHBondContact O-CG2 3.5Å; L283-V288 PolarHBondContact O-N 3.11Å; L283-V288 VanDerWaalsContact O-N 3.16Å; A286-V288 HydrophobicContact CB-CG2 4.36Å; V288-V290 VanDerWaalsContact CG1-O 3.29Å; V288-V290 WeakPolarHBondContact CG1-O 3.35Å; V288-I291 HydrophobicContact CG1-CG1 3.86Å; V288-P339 HydrophobicContact CG2-CG 4.09Å; V288-L344 HydrophobicContact CG2-CD1 4.44Å; V288-L344 HydrophobicContact CG2-CD2 3.6Å
289K93.1Very high92.6Very high97 Ų9746.3 Ų46.342%0.42225%0.25SC..EExtended strand (participates in β ladder)trans-105.9-28173.5-63.9-171.2-171.4162.40112.6V234 F235 N236 K238 M310 M311V234-K289 HydrophobicContact CG1-CB 3.77Å; V234-K289 HydrophobicContact CG1-CD 3.75Å; V234-K289 HydrophobicContact CG1-CG 4.46Å; F235-K289 PolarHBondContact O-NZ 3.09Å; N236-K289 PolarHBondContact O-NZ 3.08Å; N236-K289 VanDerWaalsContact O-NZ 3.08Å; K238-K289 PolarHBondContact O-N 3.43Å; K289-M310 CarbonylContact O-C 3.56Å; K289-M310 WeakPolarHBondContact O-CA 3.28Å; K289-M311 PolarHBondContact O-N 3.02Å
290V93.9Very high92.6Very high0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-123124.3-178.6-1750000109.1V234 K238 V239 A240 V288 V292 M311 V350 F363V234-V290 HydrophobicContact CB-CG2 4.09Å; V234-V290 HydrophobicContact CG1-CG2 4.03Å; V234-V290 HydrophobicContact CG2-CG2 4.16Å; K238-V290 PolarHBondContact O-N 3.47Å; V239-V290 WeakPolarHBondContact CA-O 3.49Å; V239-V290 HydrophobicContact CG1-CB 4.4Å; V239-V290 HydrophobicContact CG1-CG1 4.37Å; V239-V290 HydrophobicContact CG2-CB 4.19Å; A240-V290 PolarHBondContact N-O 3.46Å; V288-V290 VanDerWaalsContact CG1-O 3.29Å; V288-V290 WeakPolarHBondContact CG1-O 3.35Å; V290-V292 HydrophobicContact CG1-CG2 4.32Å; V290-M311 CarbonylContact C-O 3.56Å; V290-M311 WeakPolarHBondContact CA-O 3.47Å; V290-M311 HydrophobicContact CG1-CB 4.48Å; V290-M311 HydrophobicContact CG1-SD 4.37Å; V290-M311 HydrophobicContact CG2-CB 4.27Å; V290-M311 HydrophobicContact CG2-SD 4.26Å; V290-V350 HydrophobicContact CG2-CG2 4.29Å; V290-F363 HydrophobicContact CG1-CE1 4.17Å
291I94.3Very high92.6Very high0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-111.7123.7175.6-56.4173.5000108.3F242 L246 M280 L283 V288 M310 M311 V312 V313F242-I291 HydrophobicContact CD2-CG2 3.76Å; F242-I291 HydrophobicContact CE2-CG2 3.91Å; L246-I291 HydrophobicContact CD1-CG2 3.58Å; L246-I291 HydrophobicContact CD2-CG2 3.89Å; L246-I291 HydrophobicContact CG-CG2 4.34Å; M280-I291 HydrophobicContact SD-CD1 4.18Å; L283-I291 HydrophobicContact CD1-CD1 3.75Å; V288-I291 HydrophobicContact CG1-CG1 3.86Å; I291-M310 HydrophobicContact CD1-CB 4.4Å; I291-M310 HydrophobicContact CD1-CE 3.7Å; I291-M310 HydrophobicContact CD1-SD 3.76Å; I291-M310 HydrophobicContact CG1-SD 4.41Å; I291-M311 PolarHBondContact N-O 3.35Å; I291-V312 WeakPolarHBondContact O-CA 3.42Å; I291-V313 PolarHBondContact O-N 3.06Å
292V94.5Very high92.6Very high0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-108.5120174.9-175.50000109V239 A240 I241 F242 V290 V313 L315 L324 F363V239-V292 HydrophobicContact CG1-CG2 3.96Å; A240-V292 PolarHBondContact O-N 3.41Å; I241-V292 HydrophobicContact CG1-CB 4.23Å; I241-V292 HydrophobicContact CG1-CG2 4.48Å; F242-V292 PolarHBondContact N-O 3.09Å; V290-V292 HydrophobicContact CG1-CG2 4.32Å; V292-V313 CarbonylContact C-O 3.25Å; V292-V313 VanDerWaalsContact CA-O 3.31Å; V292-V313 WeakPolarHBondContact CA-O 3.14Å; V292-V313 HydrophobicContact CG2-CB 4.5Å; V292-L315 HydrophobicContact CG1-CB 4.37Å; V292-L315 HydrophobicContact CG1-CD1 3.5Å; V292-L315 HydrophobicContact CG1-CG 3.74Å; V292-L324 HydrophobicContact CB-CD2 4.33Å; V292-L324 HydrophobicContact CG1-CD2 3.94Å; V292-L324 HydrophobicContact CG2-CD2 3.78Å; V292-F363 HydrophobicContact CG2-CE1 4.09Å; V292-F363 HydrophobicContact CG2-CZ 4.06Å
293S93.5Very high92.6Very high0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-104131.1175.7-172.60000111.7F242 C244 G295 V313 L315F242-S293 CarbonylContact O-C 3.55Å; C244-S293 PolarHBondContact O-OG 3.21Å; S293-G295 PolarHBondContact O-N 3.23Å; S293-G295 PolarHBondContact OG-N 2.88Å; S293-G295 VanDerWaalsContact OG-N 3.16Å; S293-V313 PolarHBondContact N-O 3.3Å; S293-L315 PolarHBondContact O-N 3.48Å
294G90.5Very high92.6Very high23 Ų2347.2 Ų47.224%0.23726%0.258CS..SBendtrans-73.3-10.1169.100000114.1F242 L315F242-G294 PolarHBondContact O-N 3.41Å; G294-L315 CarbonylContact C-O 3.46Å; G294-L315 VanDerWaalsContact C-O 3.25Å; G294-L315 WeakPolarHBondContact CA-O 3.48Å
295G88Confident92.7Very high22 Ų2245.3 Ų45.323%0.22724%0.244CC..SBendtrans-122.4-147.9-168.900000114S293 K314S293-G295 PolarHBondContact O-N 3.23Å; S293-G295 PolarHBondContact OG-N 2.88Å; S293-G295 VanDerWaalsContact OG-N 3.16Å; G295-K314 WeakPolarHBondContact O-CE 3.34Å; G295-K314 VanDerWaalsContact O-CG 3.31Å; G295-K314 WeakPolarHBondContact O-CG 3.21Å
296K90.9Very high92.7Very high157 Ų15739.9 Ų39.968%0.68322%0.216SC*.  trans-83.2153.4169.7-64.8-177-179.4-179.10109.5P245 L246P245-K296 CarbonylContact C-O 3.5Å; P245-K296 WeakPolarHBondContact CA-O 3.23Å; P245-K296 HydrophobicContact CB-CB 4.41Å; P245-K296 VanDerWaalsContact CB-O 3.24Å; P245-K296 WeakPolarHBondContact CB-O 3.17Å; L246-K296 PolarHBondContact N-O 3.46Å
297V92.8Very high92.8Very high29 Ų2944.7 Ų44.718%0.17623%0.231CC..BIsolated β-bridgetrans-110.7122.5172.3-177.90000106.4L246 L302 V312 K314L246-V297 HydrophobicContact CB-CG1 4.37Å; L246-V297 HydrophobicContact CD1-CG1 4.38Å; L246-V297 HydrophobicContact CD1-CG2 4.25Å; V297-L302 HydrophobicContact CG1-CB 4.19Å; V297-L302 HydrophobicContact CG1-CD1 4.39Å; V297-V312 HydrophobicContact CG1-CG1 3.94Å; V297-V312 HydrophobicContact CG2-CG1 3.93Å; V297-K314 HydrophobicContact CG2-CB 4.33Å; V297-K314 HydrophobicContact CG2-CG 4.48Å
298G92Very high92.9Very high9 Ų945.7 Ų45.79%0.09323%0.228CC..  trans-75.4151.3176.500000111.8L246 A301 L302L246-G298 PolarHBondContact O-N 3.2Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 2.81Å; G298-L302 WeakPolarHBondContact O-CB 3.45Å; G298-L302 PolarHBondContact O-N 2.83Å
299E92.4Very high92.8Very high177 Ų17751.2 Ų51.283%0.82726%0.258SS*.Hα-helixtrans-65.7-41.2-177.3-65.9177.7-17500112.4L302 H303E299-L302 PolarHBondContact O-N 3.35Å; E299-H303 WeakPolarHBondContact O-CB 3.46Å; E299-H303 PolarHBondContact O-N 3.28Å
300L92.4Very high92.8Very high63 Ų6346.7 Ų46.733%0.3324%0.238SC..Hα-helixtrans-62.2-44.5174.7-69.6175.3000111.3E272 E273 L302 H303 Y304E272-L300 HydrophobicContact CG-CD1 4.47Å; E273-L300 HydrophobicContact CG-CD2 4.47Å; L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 3.29Å; L300-H303 PolarHBondContact O-N 3.08Å; L300-Y304 WeakPolarHBondContact O-CD2 2.84Å; L300-Y304 PolarHBondContact O-N 3.47Å; L300-Y304 VanDerWaalsContact O-N 3.1Å
301A92.8Very high92.8Very high1 Ų146.7 Ų46.71%0.00824%0.238CC..Hα-helixtrans-57.3-46.3176.600000111L246 M276 M280 G298 A305L246-A301 HydrophobicContact CB-CB 4.39Å; L246-A301 VanDerWaalsContact O-CB 3.24Å; L246-A301 WeakPolarHBondContact O-CB 3.04Å; M276-A301 HydrophobicContact CE-CB 3.4Å; M276-A301 VanDerWaalsContact CE-CB 3.4Å; M280-A301 HydrophobicContact CE-CB 3.72Å; G298-A301 WeakPolarHBondContact O-CB 3.35Å; G298-A301 PolarHBondContact O-N 2.81Å; A301-A305 WeakPolarHBondContact O-CB 3.07Å; A301-A305 PolarHBondContact O-N 3.43Å
302L94Very high92.8Very high35 Ų3546.7 Ų46.718%0.18324%0.238CC..Hα-helixtrans-65.4-43.5179-174.464.6000112.2E228 V297 G298 E299 L300 Y304 A305 N306 V312E228-L302 HydrophobicContact CB-CD1 3.94Å; E228-L302 HydrophobicContact CB-CD2 4.41Å; E228-L302 WeakPolarHBondContact O-CD2 3.5Å; V297-L302 HydrophobicContact CG1-CB 4.19Å; V297-L302 HydrophobicContact CG1-CD1 4.39Å; G298-L302 WeakPolarHBondContact O-CB 3.45Å; G298-L302 PolarHBondContact O-N 2.83Å; E299-L302 PolarHBondContact O-N 3.35Å; L300-L302 VanDerWaalsContact C-N 3.3Å; L300-L302 PolarHBondContact O-N 3.29Å; L302-Y304 PolarHBondContact O-N 3.03Å; L302-A305 PolarHBondContact O-N 3.26Å; L302-N306 WeakPolarHBondContact O-CB 3.44Å; L302-N306 VanDerWaalsContact O-CG 3.31Å; L302-N306 PolarHBondContact O-N 3.16Å; L302-V312 HydrophobicContact CD1-CB 4.2Å; L302-V312 HydrophobicContact CD1-CG2 4.25Å
303H94.2Very high92.8Very high110 Ų11046.7 Ų46.751%0.50924%0.238SC..Hα-helixtrans-58.7-47.3177.3170.7-94.5000111.9E299 L300 N306 K307E299-H303 WeakPolarHBondContact O-CB 3.46Å; E299-H303 PolarHBondContact O-N 3.28Å; L300-H303 PolarHBondContact O-N 3.08Å; H303-N306 PolarHBondContact O-N 3.27Å; H303-K307 PolarHBondContact O-N 3.08Å
304Y93.9Very high92.8Very high22 Ų2249.6 Ų49.69%0.08625%0.251CS..Hα-helixtrans-69.3-34.9176.5-69.8-63.9000112.7M276 E277 L300 L302 K307 L308M276-Y304 HydrophobicContact CB-CD2 4.25Å; M276-Y304 HydrophobicContact CB-CE2 4.32Å; E277-Y304 HydrophobicContact CB-CD1 4.03Å; E277-Y304 HydrophobicContact CB-CD2 4.39Å; E277-Y304 HydrophobicContact CB-CE1 3.76Å; E277-Y304 HydrophobicContact CB-CE2 4.16Å; E277-Y304 HydrophobicContact CB-CG 4.34Å; E277-Y304 HydrophobicContact CG-CD1 3.88Å; E277-Y304 HydrophobicContact CG-CE1 3.79Å; L300-Y304 WeakPolarHBondContact O-CD2 2.84Å; L300-Y304 PolarHBondContact O-N 3.47Å; L300-Y304 VanDerWaalsContact O-N 3.1Å; L302-Y304 PolarHBondContact O-N 3.03Å; Y304-K307 PolarHBondContact O-N 2.89Å; Y304-L308 WeakPolarHBondContact O-CG 3.47Å; Y304-L308 PolarHBondContact O-N 3.46Å; Y304-L308 VanDerWaalsContact O-N 3.09Å
305A93.4Very high92.8Very high1 Ų148.7 Ų48.71%0.00824%0.241CC..Hα-helixtrans-62.6-42.7173.700000111.9M280 A301 L302 L308 N309 M310 V312M280-A305 HydrophobicContact SD-CB 4.46Å; A301-A305 WeakPolarHBondContact O-CB 3.07Å; A301-A305 PolarHBondContact O-N 3.43Å; L302-A305 PolarHBondContact O-N 3.26Å; A305-L308 CarbonylContact O-C 3.4Å; A305-L308 PolarHBondContact O-N 3.45Å; A305-N309 PolarHBondContact O-N 3.25Å; A305-N309 VanDerWaalsContact O-N 3.15Å; A305-M310 HydrophobicContact CB-CB 4.41Å; A305-M310 HydrophobicContact CB-CE 4.1Å; A305-M310 PolarHBondContact O-N 3.36Å; A305-V312 HydrophobicContact CB-CG2 3.64Å
306N93.9Very high92.7Very high26 Ų2651.7 Ų51.714%0.13926%0.258CS..Hα-helixtrans-63.1-44.9174.7-72.3-18.7000111.4G229 E230 L302 H303 L308 N309G229-N306 WeakPolarHBondContact CA-OD1 3.39Å; E230-N306 PolarHBondContact N-OD1 2.99Å; L302-N306 WeakPolarHBondContact O-CB 3.44Å; L302-N306 VanDerWaalsContact O-CG 3.31Å; L302-N306 PolarHBondContact O-N 3.16Å; H303-N306 PolarHBondContact O-N 3.27Å; N306-L308 PolarHBondContact O-N 3.28Å; N306-N309 PolarHBondContact O-N 3.45Å
307K93.9Very high92.6Very high131 Ų13146 Ų4657%0.5724%0.238SC*.Hα-helixtrans-58.3-31.1176-172.7-179.4176.4-172.50112.9E277 H303 Y304E277-K307 IonicContact OE1-NZ 3.43Å; H303-K307 PolarHBondContact O-N 3.08Å; Y304-K307 PolarHBondContact O-N 2.89Å
308L92.9Very high92.5Very high52 Ų5253.4 Ų53.427%0.27227%0.268SS..THydrogen-bonded Turntrans-92.66177.5-65.6168.2000113.2M280 R281 Y304 A305 N306 M310M280-L308 HydrophobicContact CB-CD1 3.83Å; M280-L308 WeakPolarHBondContact O-CD1 3.43Å; R281-L308 HydrophobicContact CG-CD1 4.36Å; Y304-L308 WeakPolarHBondContact O-CG 3.47Å; Y304-L308 PolarHBondContact O-N 3.46Å; Y304-L308 VanDerWaalsContact O-N 3.09Å; A305-L308 CarbonylContact O-C 3.4Å; A305-L308 PolarHBondContact O-N 3.45Å; N306-L308 PolarHBondContact O-N 3.28Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 HydrophobicContact CB-CE 4.09Å; L308-M310 HydrophobicContact CB-CG 4.25Å; L308-M310 HydrophobicContact CD1-CE 3.9Å; L308-M310 PolarHBondContact O-N 2.87Å
309N91.9Very high92.5Very high120 Ų12060 Ų6064%0.64229%0.294SS*.THydrogen-bonded Turntrans53.641.7-176.7-59.2-51.8000113.7V231 A305 N306V231-N309 HydrophobicContact CG2-CB 4.24Å; A305-N309 PolarHBondContact O-N 3.25Å; A305-N309 VanDerWaalsContact O-N 3.15Å; N306-N309 PolarHBondContact O-N 3.45Å
310M92.9Very high92.4Very high2 Ų252.6 Ų52.61%0.0126%0.26CS..  trans-96.8135.1173.9-62.7-172.5-65.200110.9M280 L283 K289 I291 A305 L308M280-M310 HydrophobicContact CB-CE 4.19Å; M280-M310 HydrophobicContact SD-CE 3.91Å; L283-M310 HydrophobicContact CB-SD 4.42Å; K289-M310 CarbonylContact O-C 3.56Å; K289-M310 WeakPolarHBondContact O-CA 3.28Å; I291-M310 HydrophobicContact CD1-CB 4.4Å; I291-M310 HydrophobicContact CD1-CE 3.7Å; I291-M310 HydrophobicContact CD1-SD 3.76Å; I291-M310 HydrophobicContact CG1-SD 4.41Å; A305-M310 HydrophobicContact CB-CB 4.41Å; A305-M310 HydrophobicContact CB-CE 4.1Å; A305-M310 PolarHBondContact O-N 3.36Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 HydrophobicContact CB-CE 4.09Å; L308-M310 HydrophobicContact CB-CG 4.25Å; L308-M310 HydrophobicContact CD1-CE 3.9Å; L308-M310 PolarHBondContact O-N 2.87Å
311M93.5Very high92.4Very high0 Ų050.1 Ų50.10%025%0.248CC..EExtended strand (participates in β ladder)trans-79.8125174.2-176.8-175.7-153.800109.8T227 V231 K232 V234 K289 V290 I291 V313 V350 V361T227-M311 HydrophobicContact CG2-CE 3.23Å; T227-M311 HydrophobicContact CG2-CG 4.09Å; T227-M311 HydrophobicContact CG2-SD 4.48Å; V231-M311 HydrophobicContact CB-CB 4.35Å; V231-M311 HydrophobicContact CG1-CB 4.27Å; V231-M311 WeakPolarHBondContact O-CG 3.38Å; K232-M311 WeakPolarHBondContact O-CE 3.29Å; V234-M311 HydrophobicContact CG2-CB 3.81Å; V234-M311 HydrophobicContact CG2-SD 4Å; K289-M311 PolarHBondContact O-N 3.02Å; V290-M311 CarbonylContact C-O 3.56Å; V290-M311 WeakPolarHBondContact CA-O 3.47Å; V290-M311 HydrophobicContact CG1-CB 4.48Å; V290-M311 HydrophobicContact CG1-SD 4.37Å; V290-M311 HydrophobicContact CG2-CB 4.27Å; V290-M311 HydrophobicContact CG2-SD 4.26Å; I291-M311 PolarHBondContact N-O 3.35Å; M311-V313 HydrophobicContact CG-CG2 4.25Å; M311-V350 HydrophobicContact CE-CB 4.34Å; M311-V350 HydrophobicContact CE-CG1 3.62Å; M311-V350 HydrophobicContact SD-CB 3.89Å; M311-V350 HydrophobicContact SD-CG1 3.49Å; M311-V350 WeakPolarHBondContact SD-CG1 3.41Å; M311-V361 HydrophobicContact CE-CG1 4.13Å
312V94.8Very high92.3Very high1 Ų158.4 Ų58.41%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-110.8122.8178.7-175.80000110.2E228 L246 I291 V297 L302 A305E228-V312 PolarHBondContact N-O 2.84Å; E228-V312 VanDerWaalsContact N-O 3.08Å; L246-V312 HydrophobicContact CD1-CG1 3.8Å; I291-V312 WeakPolarHBondContact O-CA 3.42Å; V297-V312 HydrophobicContact CG1-CG1 3.94Å; V297-V312 HydrophobicContact CG2-CG1 3.93Å; L302-V312 HydrophobicContact CD1-CB 4.2Å; L302-V312 HydrophobicContact CD1-CG2 4.25Å; A305-V312 HydrophobicContact CB-CG2 3.64Å
313V93.8Very high92Very high0 Ų059.8 Ų59.80%028%0.282CS..EExtended strand (participates in β ladder)trans-121.5128.5179-177.90000110T227 I291 V292 S293 M311 L315 V361 F363T227-V313 HydrophobicContact CG2-CG2 4.35Å; I291-V313 PolarHBondContact O-N 3.06Å; V292-V313 CarbonylContact C-O 3.25Å; V292-V313 VanDerWaalsContact CA-O 3.31Å; V292-V313 WeakPolarHBondContact CA-O 3.14Å; V292-V313 HydrophobicContact CG2-CB 4.5Å; S293-V313 PolarHBondContact N-O 3.3Å; M311-V313 HydrophobicContact CG-CG2 4.25Å; V313-L315 HydrophobicContact CG1-CD2 4.28Å; V313-L315 HydrophobicContact CG1-CG 4.48Å; V313-V361 HydrophobicContact CG1-CG2 4.43Å; V313-V361 HydrophobicContact CG2-CG1 4.07Å; V313-F363 HydrophobicContact CB-CZ 4.2Å; V313-F363 HydrophobicContact CG1-CE2 4.19Å; V313-F363 HydrophobicContact CG1-CZ 4.14Å; V313-F363 HydrophobicContact CG2-CE2 4.42Å; V313-F363 HydrophobicContact CG2-CZ 3.96Å
314K93.2Very high91.8Very high60 Ų6054.5 Ų54.526%0.26126%0.257SS..EExtended strand (participates in β ladder)trans-100.9116.7-179.5-175.5-174.5177.2178.30111.3R225 E228 G295 V297R225-K314 WeakPolarHBondContact CD-O 3.21Å; R225-K314 PolarHBondContact NH1-O 2.72Å; E228-K314 HydrophobicContact CG-CB 4.17Å; E228-K314 WeakPolarHBondContact OE1-CD 3.46Å; G295-K314 WeakPolarHBondContact O-CE 3.34Å; G295-K314 VanDerWaalsContact O-CG 3.31Å; G295-K314 WeakPolarHBondContact O-CG 3.21Å; V297-K314 HydrophobicContact CG2-CB 4.33Å; V297-K314 HydrophobicContact CG2-CG 4.48Å
315L90.9Very high91.7Very high5 Ų554.4 Ų54.43%0.02626%0.26CS..  trans-112.6117.7174.7-62.3-176.3000110.7F223 V292 S293 G294 V313 V321 L324F223-L315 HydrophobicContact CB-CD2 4.08Å; F223-L315 HydrophobicContact CD1-CD2 3.49Å; F223-L315 VanDerWaalsContact CD1-CD2 3.49Å; F223-L315 HydrophobicContact CD2-CD2 3.83Å; F223-L315 HydrophobicContact CE1-CD1 3.98Å; F223-L315 HydrophobicContact CE1-CD2 3.8Å; F223-L315 HydrophobicContact CE2-CD1 4.04Å; F223-L315 HydrophobicContact CE2-CD2 4.08Å; F223-L315 HydrophobicContact CG-CD2 3.51Å; F223-L315 HydrophobicContact CZ-CD1 3.69Å; F223-L315 HydrophobicContact CZ-CD2 4.06Å; V292-L315 HydrophobicContact CG1-CB 4.37Å; V292-L315 HydrophobicContact CG1-CD1 3.5Å; V292-L315 HydrophobicContact CG1-CG 3.74Å; S293-L315 PolarHBondContact O-N 3.48Å; G294-L315 CarbonylContact C-O 3.46Å; G294-L315 VanDerWaalsContact C-O 3.25Å; G294-L315 WeakPolarHBondContact CA-O 3.48Å; V313-L315 HydrophobicContact CG1-CD2 4.28Å; V313-L315 HydrophobicContact CG1-CG 4.48Å; L315-V321 HydrophobicContact CB-CG2 4.02Å; L315-V321 HydrophobicContact CD1-CG2 4.38Å; L315-L324 HydrophobicContact CD1-CD2 3.84Å
316S85.3Confident91.4Very high85 Ų8558.4 Ų58.459%0.59428%0.278SS*.  trans-85-17.6178.653.40000114.2R225R225-S316 PolarHBondContact NH2-OG 3.29Å
317S90.4Very high91.1Very high37 Ų3757.6 Ų57.626%0.25928%0.275SS..  trans-92.6123-175.1173.90000111F319 D320 V321S317-F319 PolarHBondContact O-N 2.83Å; S317-F319 PolarHBondContact OG-N 3.17Å; S317-D320 WeakPolarHBondContact O-CB 3.02Å; S317-D320 PolarHBondContact O-N 3.01Å; S317-D320 VanDerWaalsContact O-N 3.15Å; S317-D320 PolarHBondContact OG-N 3.35Å; S317-V321 WeakPolarHBondContact O-CG2 3.39Å; S317-V321 PolarHBondContact O-N 3.49Å; S317-V321 VanDerWaalsContact O-N 3.13Å
318K90.6Very high90.7Very high184 Ų18451.7 Ų51.780%0.825%0.25SC*.Hα-helixtrans-60.1-33.5174.5-63-175.8-179.4-176.50112.4D320 R322K318-D320 VanDerWaalsContact C-N 3.33Å; K318-R322 PolarHBondContact O-N 2.89Å; K318-R322 VanDerWaalsContact O-N 3.13Å
319F90.8Very high90.5Very high147 Ų14752 Ų5265%0.64527%0.266SS*.Hα-helixtrans-67.8-36.8177.9-60.1-76.8000111.8S317 R322 R323S317-F319 PolarHBondContact O-N 2.83Å; S317-F319 PolarHBondContact OG-N 3.17Å; F319-R322 PolarHBondContact O-N 3.26Å; F319-R323 WeakPolarHBondContact O-CG 3.49Å; F319-R323 PolarHBondContact O-N 3.47Å
320D90.9Very high90.4Very high22 Ų2246.6 Ų46.612%0.11824%0.238CC..Hα-helixtrans-70.7-42.1179.4-78.96.6000111.4R203 F223 S317 K318 R322 R323 L324R203-D320 IonicContact CZ-OD1 2.68Å; R203-D320 IonicContact CZ-OD2 2.91Å; R203-D320 IonicContact NH1-OD1 3.81Å; R203-D320 IonicContact NH1-OD2 3.04Å; R203-D320 IonicContact NH2-OD1 2.66Å; R203-D320 PolarHBondContact NH2-OD1 3.3Å; R203-D320 IonicContact NH2-OD2 3.16Å; R203-D320 PolarHBondContact NH2-OD2 3.19Å; F223-D320 HydrophobicContact CD1-CB 4.4Å; F223-D320 HydrophobicContact CE1-CB 3.67Å; S317-D320 WeakPolarHBondContact O-CB 3.02Å; S317-D320 PolarHBondContact O-N 3.01Å; S317-D320 VanDerWaalsContact O-N 3.15Å; S317-D320 PolarHBondContact OG-N 3.35Å; K318-D320 VanDerWaalsContact C-N 3.33Å; D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 2.87Å; D320-R323 PolarHBondContact O-N 3.48Å; D320-R323 IonicContact OD1-NH1 2.97Å; D320-L324 WeakPolarHBondContact O-CB 3.25Å; D320-L324 PolarHBondContact O-N 2.62Å
321V91.8Very high90.4Very high12 Ų1248.7 Ų48.77%0.07325%0.253CS..Hα-helixtrans-57.4-47.9172.8175.40000110.5I241 L315 S317 R323 L324 C325 A332I241-V321 HydrophobicContact CG2-CG1 3.6Å; L315-V321 HydrophobicContact CB-CG2 4.02Å; L315-V321 HydrophobicContact CD1-CG2 4.38Å; S317-V321 WeakPolarHBondContact O-CG2 3.39Å; S317-V321 PolarHBondContact O-N 3.49Å; S317-V321 VanDerWaalsContact O-N 3.13Å; V321-R323 PolarHBondContact O-N 3.09Å; V321-L324 PolarHBondContact O-N 2.73Å; V321-C325 PolarHBondContact O-N 2.89Å; V321-C325 PolarHBondContact O-SG 3.34Å; V321-A332 HydrophobicContact CG1-CB 4.11Å
322R90.4Very high90.4Very high175 Ų17550.8 Ų50.866%0.6627%0.27SS*.Hα-helixtrans-61.4-41.7179.1-176.8179.1177.8-175.4-0.7113K318 F319 D320 L324 C325 Q326K318-R322 PolarHBondContact O-N 2.89Å; K318-R322 VanDerWaalsContact O-N 3.13Å; F319-R322 PolarHBondContact O-N 3.26Å; D320-R322 VanDerWaalsContact C-N 3.34Å; D320-R322 PolarHBondContact O-N 2.87Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-C325 WeakPolarHBondContact O-CB 3.46Å; R322-Q326 PolarHBondContact O-N 3.36Å
323R88.8Confident90.4Very high63 Ų6351.5 Ų51.524%0.23827%0.274CS..Hα-helixtrans-68.6-36176.7-72.6177.4-177.1130.9-2.7111.4M221 F319 D320 V321 Q326 A327M221-R323 HydrophobicContact CE-CB 3.5Å; M221-R323 HydrophobicContact SD-CB 3.57Å; M221-R323 VanDerWaalsContact SD-CB 3.57Å; F319-R323 WeakPolarHBondContact O-CG 3.49Å; F319-R323 PolarHBondContact O-N 3.47Å; D320-R323 PolarHBondContact O-N 3.48Å; D320-R323 IonicContact OD1-NH1 2.97Å; V321-R323 PolarHBondContact O-N 3.09Å; R323-Q326 WeakPolarHBondContact O-CB 3.27Å; R323-Q326 PolarHBondContact O-N 3.23Å; R323-Q326 VanDerWaalsContact O-N 3.11Å; R323-A327 PolarHBondContact O-N 2.98Å
324L90.8Very high90.3Very high0 Ų055.9 Ų55.90%030%0.302CS..Hα-helixtrans-68.9-36.8178.5-170.265.3000111.7M221 F223 I241 V292 L315 D320 V321 R322 Q326 A327 T328 F363M221-L324 HydrophobicContact CB-CD1 4.17Å; M221-L324 HydrophobicContact CG-CD1 4.39Å; M221-L324 WeakPolarHBondContact SD-CA 3.16Å; M221-L324 HydrophobicContact SD-CB 3.82Å; M221-L324 HydrophobicContact SD-CD1 4.01Å; M221-L324 PolarHBondContact SD-N 3.17Å; F223-L324 HydrophobicContact CE2-CD1 4.16Å; F223-L324 HydrophobicContact CE2-CD2 4.27Å; F223-L324 HydrophobicContact CZ-CB 4.37Å; F223-L324 HydrophobicContact CZ-CD1 4.29Å; F223-L324 HydrophobicContact CZ-CD2 4.37Å; I241-L324 HydrophobicContact CD1-CB 4.25Å; I241-L324 HydrophobicContact CD1-CD2 4.13Å; I241-L324 HydrophobicContact CD1-CG 3.99Å; V292-L324 HydrophobicContact CB-CD2 4.33Å; V292-L324 HydrophobicContact CG1-CD2 3.94Å; V292-L324 HydrophobicContact CG2-CD2 3.78Å; L315-L324 HydrophobicContact CD1-CD2 3.84Å; D320-L324 WeakPolarHBondContact O-CB 3.25Å; D320-L324 PolarHBondContact O-N 2.62Å; V321-L324 PolarHBondContact O-N 2.73Å; R322-L324 VanDerWaalsContact C-N 3.34Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 3.48Å; L324-A327 PolarHBondContact O-N 2.9Å; L324-T328 HydrophobicContact CD1-CG2 4Å; L324-T328 HydrophobicContact CG-CG2 4.24Å; L324-T328 WeakPolarHBondContact O-CB 3.36Å; L324-T328 PolarHBondContact O-N 3.4Å; L324-T328 PolarHBondContact O-OG1 3.11Å; L324-F363 HydrophobicContact CD1-CB 4.16Å; L324-F363 HydrophobicContact CD1-CD1 3.69Å; L324-F363 HydrophobicContact CD1-CD2 4.44Å; L324-F363 HydrophobicContact CD1-CE1 4.22Å; L324-F363 HydrophobicContact CD1-CG 3.86Å; L324-F363 HydrophobicContact CD2-CD1 4.32Å; L324-F363 HydrophobicContact CD2-CE1 4Å; L324-F363 HydrophobicContact CD2-CZ 4.19Å
325C90.3Very high90Very high20 Ų2058.7 Ų58.714%0.13532%0.316CS..Hα-helixtrans-53.9-44.9167.8-69.50000111.4V321 R322 G329 A330V321-C325 PolarHBondContact O-N 2.89Å; V321-C325 PolarHBondContact O-SG 3.34Å; R322-C325 WeakPolarHBondContact O-CB 3.46Å; C325-G329 CarbonylContact O-C 3.49Å; C325-G329 VanDerWaalsContact O-CA 3.26Å; C325-G329 WeakPolarHBondContact O-CA 2.84Å; C325-G329 PolarHBondContact O-N 2.91Å; C325-A330 VanDerWaalsContact CA-O 3.31Å; C325-A330 WeakPolarHBondContact CA-O 3.06Å; C325-A330 WeakPolarHBondContact CB-O 3.46Å; C325-A330 PolarHBondContact O-N 3.41Å; C325-A330 PolarHBondContact SG-O 3.2Å
326Q86.7Confident89.9Confident84 Ų8459.2 Ų59.239%0.39332%0.319SS..Hα-helixtrans-67.8-38.3177.8-68.2175.6-2200112.7R322 R323 L324 V372R322-Q326 PolarHBondContact O-N 3.36Å; R323-Q326 WeakPolarHBondContact O-CB 3.27Å; R323-Q326 PolarHBondContact O-N 3.23Å; R323-Q326 VanDerWaalsContact O-N 3.11Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 3.48Å; Q326-V372 HydrophobicContact CB-CG2 4.14Å
327A87.6Confident90Very high9 Ų958.8 Ų58.87%0.07431%0.313CS..Hα-helixtrans-70.1-37.5-179.900000113.1M221 R323 L324 V372M221-A327 HydrophobicContact CG-CB 4.26Å; M221-A327 HydrophobicContact SD-CB 4.47Å; R323-A327 PolarHBondContact O-N 2.98Å; L324-A327 PolarHBondContact O-N 2.9Å; A327-V372 HydrophobicContact CB-CB 4.08Å; A327-V372 HydrophobicContact CB-CG2 4.19Å
328T87.4Confident90Very high7 Ų760.5 Ų60.54%0.04332%0.322CS..Hα-helixtrans-97.8-15.7-175.157.70000113.9V239 L324 A330 G345 T346 I347V239-T328 HydrophobicContact CG2-CG2 4.31Å; L324-T328 HydrophobicContact CD1-CG2 4Å; L324-T328 HydrophobicContact CG-CG2 4.24Å; L324-T328 WeakPolarHBondContact O-CB 3.36Å; L324-T328 PolarHBondContact O-N 3.4Å; L324-T328 PolarHBondContact O-OG1 3.11Å; T328-A330 PolarHBondContact O-N 2.87Å; T328-A330 WeakPolarHBondContact OG1-CB 2.87Å; T328-A330 PolarHBondContact OG1-N 3.12Å; T328-G345 CarbonylContact O-C 3.5Å; T328-G345 WeakPolarHBondContact O-CA 3.31Å; T328-T346 PolarHBondContact O-N 3.15Å; T328-I347 HydrophobicContact CG2-CD1 4.15Å
329G87.2Confident89.9Confident60 Ų6052.2 Ų52.262%0.61929%0.287SS*.  trans76.81.9-169.400000114.4C325C325-G329 CarbonylContact O-C 3.49Å; C325-G329 VanDerWaalsContact O-CA 3.26Å; C325-G329 WeakPolarHBondContact O-CA 2.84Å; C325-G329 PolarHBondContact O-N 2.91Å
330A91.2Very high90Very high6 Ų648.2 Ų48.25%0.0527%0.274CS..PPolyproline II helixtrans-72.2150.9179.900000112.5I241 C325 T328I241-A330 HydrophobicContact CB-CB 4.49Å; I241-A330 HydrophobicContact CD1-CB 3.65Å; I241-A330 HydrophobicContact CG1-CB 3.81Å; C325-A330 VanDerWaalsContact CA-O 3.31Å; C325-A330 WeakPolarHBondContact CA-O 3.06Å; C325-A330 WeakPolarHBondContact CB-O 3.46Å; C325-A330 PolarHBondContact O-N 3.41Å; C325-A330 PolarHBondContact SG-O 3.2Å; T328-A330 PolarHBondContact O-N 2.87Å; T328-A330 WeakPolarHBondContact OG1-CB 2.87Å; T328-A330 PolarHBondContact OG1-N 3.12Å
331S93.1Very high89.9Confident45 Ų4552.4 Ų52.432%0.31530%0.303SS..PPolyproline II helixtrans-93143.2165.878.50000110.5E343S331-E343 PolarHBondContact N-O 3.15Å; S331-E343 VanDerWaalsContact OG-CB 3.22Å; S331-E343 WeakPolarHBondContact OG-CB 2.97Å; S331-E343 VanDerWaalsContact OG-CG 3.29Å; S331-E343 WeakPolarHBondContact OG-CG 3.37Å
332A93.4Very high89.9Confident44 Ų4460.4 Ų60.436%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-83.1118.6175.100000110.2I241 V321I241-A332 HydrophobicContact CG2-CB 4.14Å; I241-A332 WeakPolarHBondContact O-CA 3.36Å; V321-A332 HydrophobicContact CG1-CB 4.11Å
333L93.3Very high90Very high17 Ų1755 Ų559%0.08932%0.321CS..EExtended strand (participates in β ladder)trans-91.3132.2-178.7-61.8-178.9000111.9I241 F242 S243 Q335 P339 E343I241-L333 PolarHBondContact O-N 2.89Å; F242-L333 CarbonylContact C-O 3.51Å; F242-L333 WeakPolarHBondContact CA-O 3.18Å; F242-L333 HydrophobicContact CD1-CB 3.82Å; F242-L333 HydrophobicContact CE1-CB 4Å; F242-L333 HydrophobicContact CE1-CD1 3.88Å; F242-L333 HydrophobicContact CZ-CD1 4.47Å; S243-L333 PolarHBondContact N-O 3.29Å; S243-L333 PolarHBondContact OG-O 3.38Å; L333-Q335 VanDerWaalsContact C-N 3.33Å; L333-P339 HydrophobicContact CD1-CB 3.74Å; L333-E343 HydrophobicContact CD2-CB 4.38Å; L333-E343 HydrophobicContact CD2-CG 4.19Å
334P91.4Very high90.1Very high92 Ų9252.9 Ų52.960%0.59732%0.315SS*.SBendtrans-79.4-14.2-179.131.8-35.5000114.2S243 C244S243-P334 WeakPolarHBondContact OG-CA 3.17Å; C244-P334 WeakPolarHBondContact CB-O 3.31Å
335Q88.2Confident90Very high119 Ų11953 Ų5356%0.55632%0.316SS*.SBendtrans-133.8154-176.9-66.6-178.1-300110.1F242 L333 V337F242-Q335 WeakPolarHBondContact CD1-O 3.27Å; F242-Q335 WeakPolarHBondContact CE1-O 3.33Å; L333-Q335 VanDerWaalsContact C-N 3.33Å; Q335-V337 HydrophobicContact CB-CG2 3.94Å; Q335-V337 PolarHBondContact O-N 2.92Å
336L88.6Confident90Very high16 Ų1656.1 Ų56.18%0.08433%0.334CS..SBendtrans-8075.4177.6-155.8148.8000109.6L246 H279L246-L336 HydrophobicContact CB-CD1 4.45Å; L246-L336 HydrophobicContact CD2-CD1 3.59Å; L246-L336 HydrophobicContact CD2-CG 4.45Å; H279-L336 HydrophobicContact CB-CD2 3.43Å; H279-L336 VanDerWaalsContact CB-CD2 3.43Å; H279-L336 PolarHBondContact ND1-O 2.89Å
337V87.7Confident90.2Very high76 Ų7652.4 Ų52.446%0.46132%0.317SS..  trans-117.1155.9178.1-178.20000108.3Q335 P339Q335-V337 HydrophobicContact CB-CG2 3.94Å; Q335-V337 PolarHBondContact O-N 2.92Å; V337-P339 VanDerWaalsContact O-CD 3.32Å; V337-P339 WeakPolarHBondContact O-CD 3.43Å
338T89.5Confident90.2Very high73 Ų7352.6 Ų52.645%0.44832%0.318SS..PPolyproline II helixtrans-57.8116.6170.946.80000110.1S282S282-T338 VanDerWaalsContact OG-CG2 3.28Å; S282-T338 WeakPolarHBondContact OG-CG2 3.38Å
339P90.2Very high90.4Very high9 Ų953.7 Ų53.76%0.05832%0.323CS..PPolyproline II helixtrans-66.1140.1178.727.4-33.8000109.9A240 L283 V288 L333 V337 E343 L344A240-P339 HydrophobicContact CB-CG 4.32Å; L283-P339 VanDerWaalsContact CD2-CD 3.4Å; L283-P339 HydrophobicContact CD2-CG 4.22Å; V288-P339 HydrophobicContact CG2-CG 4.09Å; L333-P339 HydrophobicContact CD1-CB 3.74Å; V337-P339 VanDerWaalsContact O-CD 3.32Å; V337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-E343 HydrophobicContact CB-CB 4.42Å; P339-L344 HydrophobicContact CB-CD2 3.72Å; P339-L344 HydrophobicContact CB-CG 4.03Å; P339-L344 HydrophobicContact CG-CD1 4.45Å; P339-L344 HydrophobicContact CG-CD2 3.43Å; P339-L344 VanDerWaalsContact CG-CD2 3.43Å; P339-L344 HydrophobicContact CG-CG 4.04Å
340T91.6Very high90.7Very high63 Ų6350.9 Ų50.939%0.38729%0.293SS..PPolyproline II helixtrans-68.5156.2167.561.70000109.8E342 E343 L344T340-E342 PolarHBondContact O-N 3.05Å; T340-E342 VanDerWaalsContact O-N 3.12Å; T340-E343 PolarHBondContact N-OE2 3.04Å; T340-E343 PolarHBondContact O-N 3.16Å; T340-E343 WeakPolarHBondContact OG1-CG 3.26Å; T340-E343 PolarHBondContact OG1-OE2 3.23Å; T340-L344 PolarHBondContact O-N 3.46Å
341P89.6Confident90.8Very high111 Ų11152.5 Ų52.572%0.72130%0.298SS*.THydrogen-bonded Turntrans-60.5-23.2179.923.8-34.8000113.8
342E90.5Very high90.8Very high179 Ų17951.6 Ų51.684%0.83629%0.292SS*.THydrogen-bonded Turntrans-77.9-26.4176.2-61.3-177178.300112.8T340T340-E342 PolarHBondContact O-N 3.05Å; T340-E342 VanDerWaalsContact O-N 3.12Å
343E92.4Very high90.7Very high61 Ų6152.7 Ų52.729%0.28529%0.292SS..THydrogen-bonded Turntrans-83.2-17.1179.9-70.2167.2157.900112.4S331 L333 P339 T340S331-E343 PolarHBondContact N-O 3.15Å; S331-E343 VanDerWaalsContact OG-CB 3.22Å; S331-E343 WeakPolarHBondContact OG-CB 2.97Å; S331-E343 VanDerWaalsContact OG-CG 3.29Å; S331-E343 WeakPolarHBondContact OG-CG 3.37Å; L333-E343 HydrophobicContact CD2-CB 4.38Å; L333-E343 HydrophobicContact CD2-CG 4.19Å; P339-E343 HydrophobicContact CB-CB 4.42Å; T340-E343 PolarHBondContact N-OE2 3.04Å; T340-E343 PolarHBondContact O-N 3.16Å; T340-E343 WeakPolarHBondContact OG1-CG 3.26Å; T340-E343 PolarHBondContact OG1-OE2 3.23Å
344L91.8Very high90.5Very high20 Ų2058.2 Ų58.211%0.10532%0.317CS..  trans-76.9131.1179.1-70.7176.7000111.7K238 A240 V288 P339 T340K238-L344 HydrophobicContact CD-CD1 3.76Å; A240-L344 HydrophobicContact CB-CD2 3.97Å; V288-L344 HydrophobicContact CG2-CD1 4.44Å; V288-L344 HydrophobicContact CG2-CD2 3.6Å; P339-L344 HydrophobicContact CB-CD2 3.72Å; P339-L344 HydrophobicContact CB-CG 4.03Å; P339-L344 HydrophobicContact CG-CD1 4.45Å; P339-L344 HydrophobicContact CG-CD2 3.43Å; P339-L344 VanDerWaalsContact CG-CD2 3.43Å; P339-L344 HydrophobicContact CG-CG 4.04Å; T340-L344 PolarHBondContact O-N 3.46Å
345G89.6Confident90.4Very high1 Ų155.1 Ų55.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-84.7163.4168.700000111.8K238 V239 T328K238-G345 CarbonylContact C-O 3.58Å; K238-G345 VanDerWaalsContact CA-O 3.31Å; K238-G345 WeakPolarHBondContact CA-O 3.4Å; V239-G345 PolarHBondContact N-O 2.69Å; V239-G345 PolarHBondContact O-N 2.96Å; T328-G345 CarbonylContact O-C 3.5Å; T328-G345 WeakPolarHBondContact O-CA 3.31Å
346T90.1Very high90.1Very high86 Ų8651.9 Ų51.953%0.52829%0.289SS..EExtended strand (participates in β ladder)trans-117.5140.3172.754.30000109.7T328 Q365T328-T346 PolarHBondContact O-N 3.15Å; T346-Q365 PolarHBondContact O-OE1 3.31Å
347I89.3Confident89.9Confident6 Ų659 Ų593%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-134.3141174.2-163.8150.5000113N236 G237 V239 T328 V350 F363 E364 Q365N236-I347 CarbonylContact C-O 3.52Å; N236-I347 VanDerWaalsContact CA-O 3.26Å; N236-I347 WeakPolarHBondContact CA-O 3.41Å; G237-I347 PolarHBondContact N-O 3.42Å; G237-I347 PolarHBondContact O-N 2.88Å; V239-I347 HydrophobicContact CG2-CB 3.78Å; V239-I347 HydrophobicContact CG2-CG2 3.42Å; V239-I347 VanDerWaalsContact CG2-CG2 3.42Å; T328-I347 HydrophobicContact CG2-CD1 4.15Å; I347-V350 HydrophobicContact CB-CG2 4.16Å; I347-V350 HydrophobicContact CD1-CG2 3.38Å; I347-V350 HydrophobicContact CG1-CG2 3.73Å; I347-V350 HydrophobicContact CG2-CG2 3.45Å; I347-V350 VanDerWaalsContact CG2-CG2 3.45Å; I347-F363 HydrophobicContact CD1-CB 3.56Å; I347-F363 HydrophobicContact CD1-CD1 3.39Å; I347-F363 HydrophobicContact CD1-CE1 4.46Å; I347-F363 HydrophobicContact CD1-CG 3.91Å; I347-E364 WeakPolarHBondContact CG1-O 3.5Å; I347-Q365 VanDerWaalsContact CA-OE1 3.24Å
348S89.5Confident89.9Confident13 Ų1356.8 Ų56.89%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-78.2-47.2179.663.60000112.1N236 E364 Q365 D366N236-S348 PolarHBondContact N-O 2.92Å; S348-E364 PolarHBondContact OG-O 2.67Å; S348-E364 VanDerWaalsContact OG-O 3.04Å; S348-Q365 WeakPolarHBondContact OG-CA 3.47Å; S348-D366 WeakPolarHBondContact CB-OD2 3.42Å; S348-D366 PolarHBondContact OG-N 3.03Å; S348-D366 PolarHBondContact OG-OD2 3Å
349H91.6Very high90Very high31 Ų3154.6 Ų54.614%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-147.6127.8-178.4-175-138.1000111.4F235 Y351 E364F235-H349 AromaticContact CD1-CD2 3.45Å; F235-H349 VanDerWaalsContact CD1-CD2 3.45Å; F235-H349 WeakPolarHBondContact CD1-CD2 3.05Å; F235-H349 AromaticContact CE1-CD2 3.19Å; F235-H349 WeakPolarHBondContact CE1-CD2 3.35Å; F235-H349 AromaticContact CE1-CG 3.98Å; F235-H349 AromaticContact CE1-NE2 3.34Å; F235-H349 VanDerWaalsContact CE1-NE2 3.34Å; F235-H349 WeakPolarHBondContact CE1-NE2 3.5Å; F235-H349 AromaticContact CZ-CD2 3.74Å; F235-H349 AromaticContact CZ-NE2 3.48Å; F235-H349 WeakPolarHBondContact CZ-NE2 3.42Å; H349-Y351 AromaticContact CE1-CD1 3.05Å; H349-Y351 WeakPolarHBondContact CE1-CD1 3.42Å; H349-Y351 AromaticContact CE1-CE1 3.5Å; H349-Y351 VanDerWaalsContact CE1-CE1 3.5Å; H349-Y351 WeakPolarHBondContact CE1-CE1 3.4Å; H349-Y351 AromaticContact CE1-CG 3.62Å; H349-Y351 AromaticContact ND1-CD1 3.26Å; H349-Y351 VanDerWaalsContact ND1-CD1 3.26Å; H349-Y351 WeakPolarHBondContact ND1-CD1 3.42Å; H349-Y351 AromaticContact ND1-CE1 3.47Å; H349-Y351 WeakPolarHBondContact ND1-CE1 3.48Å; H349-Y351 AromaticContact NE2-CD1 3.72Å; H349-E364 HydrophobicContact CB-CB 4.3Å; H349-E364 PolarHBondContact N-O 3.31Å; H349-E364 IonicContact ND1-OE2 3.7Å; H349-E364 PolarHBondContact ND1-OE2 3.13Å; H349-E364 PolarHBondContact O-N 3.23Å
350V92.8Very high90.2Very high0 Ų054.2 Ų54.20%030%0.302CS..EExtended strand (participates in β ladder)trans-126.2126.9171.2-168.70000108.3E233 V234 V290 M311 I347 V361 I362 F363E233-V350 CarbonylContact C-O 3.29Å; E233-V350 WeakPolarHBondContact CA-O 3.18Å; V234-V350 PolarHBondContact N-O 3.04Å; V234-V350 PolarHBondContact O-N 3.36Å; V290-V350 HydrophobicContact CG2-CG2 4.29Å; M311-V350 HydrophobicContact CE-CB 4.34Å; M311-V350 HydrophobicContact CE-CG1 3.62Å; M311-V350 HydrophobicContact SD-CB 3.89Å; M311-V350 HydrophobicContact SD-CG1 3.49Å; M311-V350 WeakPolarHBondContact SD-CG1 3.41Å; I347-V350 HydrophobicContact CB-CG2 4.16Å; I347-V350 HydrophobicContact CD1-CG2 3.38Å; I347-V350 HydrophobicContact CG1-CG2 3.73Å; I347-V350 HydrophobicContact CG2-CG2 3.45Å; I347-V350 VanDerWaalsContact CG2-CG2 3.45Å; V350-V361 HydrophobicContact CG1-CG1 3.93Å; V350-I362 VanDerWaalsContact CA-O 3.32Å; V350-I362 WeakPolarHBondContact CA-O 3.2Å; V350-F363 HydrophobicContact CG1-CD1 4.07Å; V350-F363 HydrophobicContact CG1-CD2 4.23Å; V350-F363 HydrophobicContact CG1-CE1 3.97Å; V350-F363 HydrophobicContact CG1-CE2 4.16Å; V350-F363 HydrophobicContact CG1-CG 4.17Å; V350-F363 HydrophobicContact CG1-CZ 4.02Å; V350-F363 HydrophobicContact CG2-CD1 3.86Å; V350-F363 HydrophobicContact CG2-CE1 4.17Å; V350-F363 HydrophobicContact CG2-CG 4.38Å
351Y93.8Very high90.3Very high40 Ų4051.2 Ų51.216%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-146.1153178.766-74.8000112.4K232 H349 D353 I362 E364K232-Y351 CarbonylContact O-C 3.57Å; K232-Y351 WeakPolarHBondContact O-CA 3.37Å; H349-Y351 AromaticContact CE1-CD1 3.05Å; H349-Y351 WeakPolarHBondContact CE1-CD1 3.42Å; H349-Y351 AromaticContact CE1-CE1 3.5Å; H349-Y351 VanDerWaalsContact CE1-CE1 3.5Å; H349-Y351 WeakPolarHBondContact CE1-CE1 3.4Å; H349-Y351 AromaticContact CE1-CG 3.62Å; H349-Y351 AromaticContact ND1-CD1 3.26Å; H349-Y351 VanDerWaalsContact ND1-CD1 3.26Å; H349-Y351 WeakPolarHBondContact ND1-CD1 3.42Å; H349-Y351 AromaticContact ND1-CE1 3.47Å; H349-Y351 WeakPolarHBondContact ND1-CE1 3.48Å; H349-Y351 AromaticContact NE2-CD1 3.72Å; Y351-D353 HydrophobicContact CD2-CB 3.97Å; Y351-D353 HydrophobicContact CE2-CB 3.7Å; Y351-I362 HydrophobicContact CD1-CB 4.22Å; Y351-I362 HydrophobicContact CE1-CB 3.85Å; Y351-I362 HydrophobicContact CE1-CD1 4.34Å; Y351-I362 HydrophobicContact CE1-CG2 3.84Å; Y351-I362 HydrophobicContact CE2-CD1 3.83Å; Y351-I362 PolarHBondContact N-O 3.43Å; Y351-I362 VanDerWaalsContact N-O 3.07Å; Y351-I362 PolarHBondContact O-N 2.65Å; Y351-I362 WeakPolarHBondContact OH-CD1 3.08Å; Y351-E364 HydrophobicContact CE1-CG 4.06Å
352S92.4Very high90.4Very high27 Ų2746 Ų4619%0.18925%0.25CC..EExtended strand (participates in β ladder)trans-91.4125.3167.265.70000110K232 V360K232-S352 WeakPolarHBondContact CB-OG 3.11Å; K232-S352 WeakPolarHBondContact CG-OG 3.03Å; K232-S352 PolarHBondContact O-N 3.29Å; S352-V360 CarbonylContact C-O 3.59Å; S352-V360 VanDerWaalsContact CA-O 3.3Å; S352-V360 WeakPolarHBondContact CA-O 3.45Å
353D91.1Very high90.5Very high66 Ų6637.6 Ų37.635%0.35321%0.21SC..EExtended strand (participates in β ladder)trans-124158.9175.9-162.96000110.1Y351 V360 I362Y351-D353 HydrophobicContact CD2-CB 3.97Å; Y351-D353 HydrophobicContact CE2-CB 3.7Å; D353-V360 HydrophobicContact CB-CG2 4.18Å; D353-V360 PolarHBondContact N-O 3.09Å; D353-V360 VanDerWaalsContact O-CG2 3.29Å; D353-V360 WeakPolarHBondContact O-CG2 3.13Å; D353-V360 PolarHBondContact O-N 3.38Å; D353-I362 HydrophobicContact CB-CD1 4.05Å
354E90.2Very high90.4Very high133 Ų13337.2 Ų37.262%0.62121%0.209SC*.EExtended strand (participates in β ladder)trans-110.4107174.9-72.2176.3-164.800108.5
355I87.7Confident90Very high28 Ų2836.8 Ų36.814%0.14421%0.206CC..EExtended strand (participates in β ladder)trans-103.7101179.4-44.2178.7000109.1I207 A358 V360 I362 L376 R378I207-I355 HydrophobicContact CD1-CB 4.22Å; I207-I355 HydrophobicContact CD1-CD1 4.3Å; I355-A358 PolarHBondContact N-O 3.48Å; I355-A358 VanDerWaalsContact N-O 3.1Å; I355-V360 HydrophobicContact CD1-CG2 3.67Å; I355-V360 HydrophobicContact CG1-CG2 3.67Å; I355-I362 HydrophobicContact CD1-CD1 4.44Å; I355-L376 HydrophobicContact CD1-CD1 3.92Å; I355-L376 HydrophobicContact CD1-CD2 3.8Å; I355-L376 HydrophobicContact CG2-CD2 4.34Å; I355-R378 VanDerWaalsContact C-NH1 3.3Å; I355-R378 PolarHBondContact O-NH1 3.42Å
356A82.4Confident89.3Confident51 Ų5142.2 Ų42.242%0.42124%0.235SC..THydrogen-bonded Turntrans61.1-116.2-158.300000111.1
357D84.8Confident88.2Confident166 Ų16641.7 Ų41.789%0.88823%0.232SC*.THydrogen-bonded Turntrans-109.46.2-176-51.9-33000111.8
358A88.2Confident86.7Confident29 Ų2949.8 Ų49.824%0.2427%0.269CS..EExtended strand (participates in β ladder)trans-105.4112.4179.300000109.5I207 I355 V360I207-A358 HydrophobicContact CG2-CB 4.02Å; I355-A358 PolarHBondContact N-O 3.48Å; I355-A358 VanDerWaalsContact N-O 3.1Å; A358-V360 PolarHBondContact O-N 3.08Å
359S91.5Very high85.1Confident27 Ų2755.6 Ų55.619%0.18929%0.294CS..EExtended strand (participates in β ladder)trans-67.7130.5169.7-42.80000109.9R225 E226R225-S359 CarbonylContact C-O 3.47Å; R225-S359 PolarHBondContact N-O 3.3Å; R225-S359 CarbonylContact O-C 3.57Å; E226-S359 WeakPolarHBondContact OE1-CB 3.31Å; E226-S359 PolarHBondContact OE1-OG 3.28Å
360V93Very high83.4Confident1 Ų155.6 Ų55.61%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-128.4144.7-178.4-65.30000110.6I207 V222 F223 R224 R225 S352 D353 I355 A358 I362I207-V360 HydrophobicContact CD1-CG1 3.67Å; V222-V360 HydrophobicContact CG1-CB 3.89Å; V222-V360 HydrophobicContact CG1-CG1 4.18Å; V222-V360 HydrophobicContact CG1-CG2 4.3Å; F223-V360 CarbonylContact O-C 3.59Å; F223-V360 WeakPolarHBondContact O-CA 3.25Å; F223-V360 WeakPolarHBondContact O-CB 3.47Å; R224-V360 HydrophobicContact CG-CG1 4.46Å; R225-V360 CarbonylContact O-C 3.53Å; R225-V360 VanDerWaalsContact O-C 3.31Å; R225-V360 WeakPolarHBondContact O-CA 3.34Å; S352-V360 CarbonylContact C-O 3.59Å; S352-V360 VanDerWaalsContact CA-O 3.3Å; S352-V360 WeakPolarHBondContact CA-O 3.45Å; D353-V360 HydrophobicContact CB-CG2 4.18Å; D353-V360 PolarHBondContact N-O 3.09Å; D353-V360 VanDerWaalsContact O-CG2 3.29Å; D353-V360 WeakPolarHBondContact O-CG2 3.13Å; D353-V360 PolarHBondContact O-N 3.38Å; I355-V360 HydrophobicContact CD1-CG2 3.67Å; I355-V360 HydrophobicContact CG1-CG2 3.67Å; A358-V360 PolarHBondContact O-N 3.08Å; V360-I362 HydrophobicContact CG2-CD1 4.12Å; V360-I362 HydrophobicContact CG2-CG1 4.05Å
361V93.4Very high82.5Confident0 Ų056 Ų560%031%0.306CS..EExtended strand (participates in β ladder)trans-99.8126.2164.5-172.40000108.4V222 F223 R225 T227 M311 V313 V350 F363V222-V361 WeakPolarHBondContact CA-O 3.21Å; F223-V361 PolarHBondContact N-O 3.45Å; F223-V361 PolarHBondContact O-N 3.22Å; R225-V361 WeakPolarHBondContact O-CG2 3.26Å; R225-V361 PolarHBondContact O-N 3.22Å; T227-V361 HydrophobicContact CG2-CG2 3.94Å; M311-V361 HydrophobicContact CE-CG1 4.13Å; V313-V361 HydrophobicContact CG1-CG2 4.43Å; V313-V361 HydrophobicContact CG2-CG1 4.07Å; V350-V361 HydrophobicContact CG1-CG1 3.93Å; V361-F363 HydrophobicContact CB-CE2 4.24Å; V361-F363 HydrophobicContact CG1-CD2 3.98Å; V361-F363 HydrophobicContact CG1-CE2 3.46Å; V361-F363 VanDerWaalsContact CG1-CE2 3.46Å; V361-F363 HydrophobicContact CG1-CZ 4.23Å
362I93Very high82.2Confident1 Ų154.1 Ų54.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-110.1125.1-179.9-59.4171.8000108.3I218 V222 V350 Y351 D353 I355 V360 E364I218-I362 HydrophobicContact CD1-CD1 4.26Å; I218-I362 HydrophobicContact CD1-CG2 4.49Å; I218-I362 HydrophobicContact CG2-CG2 3.72Å; V222-I362 HydrophobicContact CG1-CG1 3.95Å; V222-I362 HydrophobicContact CG2-CG1 4.15Å; V222-I362 HydrophobicContact CG2-CG2 4.28Å; V350-I362 VanDerWaalsContact CA-O 3.32Å; V350-I362 WeakPolarHBondContact CA-O 3.2Å; Y351-I362 HydrophobicContact CD1-CB 4.22Å; Y351-I362 HydrophobicContact CE1-CB 3.85Å; Y351-I362 HydrophobicContact CE1-CD1 4.34Å; Y351-I362 HydrophobicContact CE1-CG2 3.84Å; Y351-I362 HydrophobicContact CE2-CD1 3.83Å; Y351-I362 PolarHBondContact N-O 3.43Å; Y351-I362 VanDerWaalsContact N-O 3.07Å; Y351-I362 PolarHBondContact O-N 2.65Å; Y351-I362 WeakPolarHBondContact OH-CD1 3.08Å; D353-I362 HydrophobicContact CB-CD1 4.05Å; I355-I362 HydrophobicContact CD1-CD1 4.44Å; V360-I362 HydrophobicContact CG2-CD1 4.12Å; V360-I362 HydrophobicContact CG2-CG1 4.05Å; I362-E364 HydrophobicContact CG2-CG 3.59Å
363F91.9Very high82.2Confident3 Ų352.9 Ų52.91%0.01329%0.29CS..EExtended strand (participates in β ladder)trans-105.3103.4172.3-72.5-108000106.9G220 M221 F223 V290 V292 V313 L324 I347 V350 V361G220-F363 CarbonylContact C-O 3.4Å; G220-F363 VanDerWaalsContact CA-O 3.25Å; G220-F363 WeakPolarHBondContact CA-O 3.43Å; M221-F363 HydrophobicContact CB-CB 4.41Å; M221-F363 PolarHBondContact N-O 3.36Å; M221-F363 WeakPolarHBondContact O-CB 3.45Å; M221-F363 PolarHBondContact O-N 2.98Å; F223-F363 AromaticContact CD2-CD2 3.72Å; F223-F363 HydrophobicContact CD2-CD2 3.72Å; F223-F363 AromaticContact CD2-CE2 3.64Å; F223-F363 HydrophobicContact CD2-CE2 3.64Å; F223-F363 AromaticContact CE2-CD2 3.57Å; F223-F363 HydrophobicContact CE2-CD2 3.57Å; F223-F363 AromaticContact CE2-CE2 3.64Å; F223-F363 HydrophobicContact CE2-CE2 3.64Å; F223-F363 HydrophobicContact CE2-CG 4.39Å; V290-F363 HydrophobicContact CG1-CE1 4.17Å; V292-F363 HydrophobicContact CG2-CE1 4.09Å; V292-F363 HydrophobicContact CG2-CZ 4.06Å; V313-F363 HydrophobicContact CB-CZ 4.2Å; V313-F363 HydrophobicContact CG1-CE2 4.19Å; V313-F363 HydrophobicContact CG1-CZ 4.14Å; V313-F363 HydrophobicContact CG2-CE2 4.42Å; V313-F363 HydrophobicContact CG2-CZ 3.96Å; L324-F363 HydrophobicContact CD1-CB 4.16Å; L324-F363 HydrophobicContact CD1-CD1 3.69Å; L324-F363 HydrophobicContact CD1-CD2 4.44Å; L324-F363 HydrophobicContact CD1-CE1 4.22Å; L324-F363 HydrophobicContact CD1-CG 3.86Å; L324-F363 HydrophobicContact CD2-CD1 4.32Å; L324-F363 HydrophobicContact CD2-CE1 4Å; L324-F363 HydrophobicContact CD2-CZ 4.19Å; I347-F363 HydrophobicContact CD1-CB 3.56Å; I347-F363 HydrophobicContact CD1-CD1 3.39Å; I347-F363 HydrophobicContact CD1-CE1 4.46Å; I347-F363 HydrophobicContact CD1-CG 3.91Å; V350-F363 HydrophobicContact CG1-CD1 4.07Å; V350-F363 HydrophobicContact CG1-CD2 4.23Å; V350-F363 HydrophobicContact CG1-CE1 3.97Å; V350-F363 HydrophobicContact CG1-CE2 4.16Å; V350-F363 HydrophobicContact CG1-CG 4.17Å; V350-F363 HydrophobicContact CG1-CZ 4.02Å; V350-F363 HydrophobicContact CG2-CD1 3.86Å; V350-F363 HydrophobicContact CG2-CE1 4.17Å; V350-F363 HydrophobicContact CG2-CG 4.38Å; V361-F363 HydrophobicContact CB-CE2 4.24Å; V361-F363 HydrophobicContact CG1-CD2 3.98Å; V361-F363 HydrophobicContact CG1-CE2 3.46Å; V361-F363 VanDerWaalsContact CG1-CE2 3.46Å; V361-F363 HydrophobicContact CG1-CZ 4.23Å
364E89.7Confident82.3Confident53 Ų5349.7 Ų49.725%0.24827%0.273CS..EExtended strand (participates in β ladder)trans-98.9141.5176.7-57.9-168132.400111.5I218 K219 I347 S348 H349 Y351 I362I218-E364 HydrophobicContact CG2-CG 4.2Å; K219-E364 CarbonylContact O-C 3.57Å; K219-E364 VanDerWaalsContact O-CA 3.26Å; K219-E364 WeakPolarHBondContact O-CA 3.31Å; I347-E364 WeakPolarHBondContact CG1-O 3.5Å; S348-E364 PolarHBondContact OG-O 2.67Å; S348-E364 VanDerWaalsContact OG-O 3.04Å; H349-E364 HydrophobicContact CB-CB 4.3Å; H349-E364 PolarHBondContact N-O 3.31Å; H349-E364 IonicContact ND1-OE2 3.7Å; H349-E364 PolarHBondContact ND1-OE2 3.13Å; H349-E364 PolarHBondContact O-N 3.23Å; Y351-E364 HydrophobicContact CE1-CG 4.06Å; I362-E364 HydrophobicContact CG2-CG 3.59Å
365Q83.8Confident82.5Confident11 Ų1143.6 Ų43.65%0.05124%0.244CC..  trans-132.5121.5178.8-171.467.110.600110.6K219 T346 I347 S348 T367 T371K219-Q365 PolarHBondContact O-N 3.31Å; T346-Q365 PolarHBondContact O-OE1 3.31Å; I347-Q365 VanDerWaalsContact CA-OE1 3.24Å; S348-Q365 WeakPolarHBondContact OG-CA 3.47Å; Q365-T367 WeakPolarHBondContact CG-OG1 3.47Å; Q365-T367 PolarHBondContact NE2-OG1 3Å; Q365-T371 HydrophobicContact CB-CG2 4.19Å; Q365-T371 HydrophobicContact CG-CG2 3.72Å
366D74.8Confident82.8Confident115 Ų11542.3 Ų42.362%0.61524%0.238SC*.  trans-85.7-10.9179.7-66.4-50.4000114S348S348-D366 WeakPolarHBondContact CB-OD2 3.42Å; S348-D366 PolarHBondContact OG-N 3.03Å; S348-D366 PolarHBondContact OG-OD2 3Å
367T67.1Low83.4Confident75 Ų7540 Ų4046%0.4622%0.218SC..  trans-71.3138.7-176.150.30000112.8Q365 E369Q365-T367 WeakPolarHBondContact CG-OG1 3.47Å; Q365-T367 PolarHBondContact NE2-OG1 3Å; T367-E369 VanDerWaalsContact C-N 3.33Å; T367-E369 PolarHBondContact O-N 2.72Å
368H57.5Low83.7Confident175 Ų17532.8 Ų32.881%0.8118%0.179SC*.SBendtrans-77-1.4-169.9-70.4-69000116.5
369E55.6Low83.9Confident135 Ų13531.4 Ų31.463%0.63117%0.167SC*.SBendtrans-119.7114.3-171.3-61.2-162.6156.400113.3Q193 T367 T371Q193-E369 PolarHBondContact NE2-OE1 3.25Å; Q193-E369 VanDerWaalsContact NE2-OE1 3.07Å; T367-E369 VanDerWaalsContact C-N 3.33Å; T367-E369 PolarHBondContact O-N 2.72Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 3.22Å
370G56.2Low83.9Confident32 Ų3234.1 Ų34.133%0.3319%0.186SC..SBendtrans71.317.9157.800000116.8
371T75.5Confident83.8Confident9 Ų937 Ų376%0.05520%0.204CC..  trans-75140.7-174.953.20000112.2T190 Q365 E369T190-T371 WeakPolarHBondContact CG2-O 3.28Å; Q365-T371 HydrophobicContact CB-CG2 4.19Å; Q365-T371 HydrophobicContact CG-CG2 3.72Å; E369-T371 VanDerWaalsContact C-N 3.34Å; E369-T371 PolarHBondContact O-N 3.22Å
372V87.5Confident83.6Confident0 Ų042.5 Ų42.50%023%0.229CC..  trans-60.9136.1166.6178.40000108.8N201 G220 M221 Q326 A327N201-V372 CarbonylContact O-C 3.31Å; N201-V372 VanDerWaalsContact O-CA 3.28Å; N201-V372 WeakPolarHBondContact O-CA 3.32Å; N201-V372 WeakPolarHBondContact O-CG1 3.41Å; G220-V372 CarbonylContact C-O 3.55Å; G220-V372 WeakPolarHBondContact CA-O 3.33Å; G220-V372 PolarHBondContact N-O 3.33Å; M221-V372 HydrophobicContact CG-CB 4.32Å; M221-V372 HydrophobicContact CG-CG1 3.92Å; M221-V372 HydrophobicContact SD-CG1 4.39Å; Q326-V372 HydrophobicContact CB-CG2 4.14Å; A327-V372 HydrophobicContact CB-CB 4.08Å; A327-V372 HydrophobicContact CB-CG2 4.19Å
373V91.4Very high83.4Confident0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-115.2136.8175.5171.20000108.9A186 T190 N201 I202 R203 M217 G220A186-V373 HydrophobicContact CB-CB 4.44Å; A186-V373 HydrophobicContact CB-CG1 3.73Å; T190-V373 HydrophobicContact CG2-CB 3.7Å; T190-V373 HydrophobicContact CG2-CG2 3.45Å; T190-V373 VanDerWaalsContact CG2-CG2 3.45Å; N201-V373 PolarHBondContact O-N 3Å; I202-V373 WeakPolarHBondContact CA-O 3.26Å; R203-V373 PolarHBondContact N-O 3.11Å; M217-V373 HydrophobicContact CG-CG1 3.54Å; M217-V373 HydrophobicContact SD-CG1 3.88Å; G220-V373 CarbonylContact O-C 3.49Å
374T93.1Very high83.3Confident0 Ų048.2 Ų48.20%026%0.259CS..EExtended strand (participates in β ladder)trans-108.1121.5174.9-57.70000110.4R203 L205 I218 G220 M221 V222R203-T374 HydrophobicContact CB-CG2 4.44Å; R203-T374 HydrophobicContact CG-CG2 4.48Å; R203-T374 CarbonylContact O-C 3.52Å; R203-T374 VanDerWaalsContact O-CA 3.27Å; R203-T374 WeakPolarHBondContact O-CA 3.47Å; L205-T374 HydrophobicContact CB-CG2 3.72Å; I218-T374 PolarHBondContact N-O 3.03Å; I218-T374 PolarHBondContact O-N 3.11Å; G220-T374 WeakPolarHBondContact O-CB 3.5Å; G220-T374 PolarHBondContact O-N 3.16Å; G220-T374 PolarHBondContact O-OG1 2.87Å; M221-T374 WeakPolarHBondContact CA-OG1 3.36Å; V222-T374 HydrophobicContact CB-CG2 4.11Å; V222-T374 HydrophobicContact CG2-CG2 4.08Å
375L94.3Very high83.4Confident4 Ų445.8 Ų45.82%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-86.3107.3167.7-66.3176.3000108.7L182 I183 A186 I202 R203 L205 M217 I377 I392L182-L375 HydrophobicContact CB-CD2 4.41Å; I183-L375 HydrophobicContact CG1-CD1 4.46Å; A186-L375 HydrophobicContact CB-CD1 4.45Å; A186-L375 HydrophobicContact CB-CD2 3.98Å; A186-L375 HydrophobicContact CB-CG 4.34Å; I202-L375 HydrophobicContact CG2-CD1 3.84Å; I202-L375 HydrophobicContact CG2-CG 4.23Å; R203-L375 PolarHBondContact O-N 3.47Å; L205-L375 PolarHBondContact N-O 3.12Å; M217-L375 HydrophobicContact CB-CD2 3.78Å; M217-L375 HydrophobicContact CG-CD2 3.8Å; L375-I377 PolarHBondContact O-N 3.04Å; L375-I392 HydrophobicContact CD1-CD1 4.44Å; L375-I392 HydrophobicContact CD1-CG2 3.58Å
376L94.1Very high83.7Confident2 Ų246.8 Ų46.81%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-82.6101.8175.4-174.6100.1000109.4L205 I207 S215 K216 I218 V222 I355 R378L205-L376 HydrophobicContact CD2-CD1 4.1Å; L205-L376 CarbonylContact O-C 3.54Å; L205-L376 WeakPolarHBondContact O-CA 3.13Å; I207-L376 HydrophobicContact CD1-CD1 3.56Å; I207-L376 HydrophobicContact CD1-CG 4.45Å; I207-L376 HydrophobicContact CG1-CD1 4.09Å; S215-L376 CarbonylContact C-O 3.51Å; S215-L376 WeakPolarHBondContact CA-O 3.48Å; S215-L376 WeakPolarHBondContact CB-O 3.15Å; K216-L376 HydrophobicContact CB-CB 4.49Å; K216-L376 HydrophobicContact CB-CD2 4.39Å; K216-L376 PolarHBondContact N-O 3.27Å; K216-L376 WeakPolarHBondContact O-CB 3.21Å; K216-L376 PolarHBondContact O-N 2.88Å; I218-L376 HydrophobicContact CD1-CB 4.37Å; V222-L376 HydrophobicContact CG1-CD1 4.28Å; I355-L376 HydrophobicContact CD1-CD1 3.92Å; I355-L376 HydrophobicContact CD1-CD2 3.8Å; I355-L376 HydrophobicContact CG2-CD2 4.34Å; L376-R378 HydrophobicContact CD2-CG 4.41Å
377I94.3Very high84.4Confident3 Ų341.6 Ų41.62%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-90.8128179.2-56174.3000110V204 L205 K206 I207 S215 L375 M385 V388 E389 I392V204-I377 HydrophobicContact CB-CD1 4.39Å; V204-I377 HydrophobicContact CG1-CD1 3.2Å; V204-I377 HydrophobicContact CG1-CG1 3.91Å; V204-I377 HydrophobicContact CG2-CD1 4.35Å; L205-I377 PolarHBondContact O-N 2.89Å; K206-I377 CarbonylContact C-O 3.55Å; K206-I377 WeakPolarHBondContact CA-O 3.15Å; I207-I377 PolarHBondContact N-O 3.25Å; S215-I377 WeakPolarHBondContact OG-CA 3.32Å; L375-I377 PolarHBondContact O-N 3.04Å; I377-M385 HydrophobicContact CG2-CG 4.44Å; I377-V388 HydrophobicContact CD1-CG1 4.12Å; I377-V388 HydrophobicContact CG2-CG1 4.05Å; I377-E389 HydrophobicContact CD1-CB 4.33Å; I377-I392 HydrophobicContact CD1-CD1 3.27Å; I377-I392 HydrophobicContact CG1-CD1 3.8Å
378R92.5Very high85.6Confident13 Ų1338 Ų385%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-103.9145.1172.4-62.7-60.9-63.2-144.8-14.7109.8I207 L208 G209 V212 S215 I355 L376I207-R378 WeakPolarHBondContact O-CA 3.27Å; L208-R378 PolarHBondContact O-NH2 3.17Å; G209-R378 PolarHBondContact O-NE 2.99Å; G209-R378 PolarHBondContact O-NH2 3.37Å; V212-R378 VanDerWaalsContact CA-O 3.24Å; V212-R378 WeakPolarHBondContact CA-O 3.3Å; S215-R378 PolarHBondContact OG-N 3.42Å; I355-R378 VanDerWaalsContact C-NH1 3.3Å; I355-R378 PolarHBondContact O-NH1 3.42Å; L376-R378 HydrophobicContact CD2-CG 4.41Å
379G91.8Very high87.2Confident0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-167.9153179.100000112.8G209 A210G209-G379 PolarHBondContact N-O 3.22Å; G209-G379 PolarHBondContact O-N 3.42Å; A210-G379 CarbonylContact O-C 3.55Å; A210-G379 VanDerWaalsContact O-C 3.29Å; A210-G379 WeakPolarHBondContact O-CA 3.5Å
380S91.9Very high88.8Confident84 Ų8427.3 Ų27.359%0.58715%0.153SC*.SBendtrans-75.8-32.3-178.553.20000113.2A210A210-S380 PolarHBondContact O-N 3.49Å
381T90.9Very high90.5Very high61 Ų6125.8 Ų25.837%0.37414%0.137SC..SBendtrans-132147.8179.564.30000110.6N383 I384 M385T381-N383 VanDerWaalsContact C-N 3.28Å; T381-N383 PolarHBondContact O-N 3.16Å; T381-I384 PolarHBondContact O-N 3.49Å; T381-I384 WeakPolarHBondContact OG1-CD1 3.24Å; T381-I384 VanDerWaalsContact OG1-CG1 3.31Å; T381-I384 WeakPolarHBondContact OG1-CG1 3.45Å; T381-M385 PolarHBondContact O-N 3.18Å
382E89.8Confident91.4Very high116 Ų11625.5 Ų25.554%0.54214%0.135SC..Hα-helixtrans-59.5-39.8177.6-63.8-171.5156.900111.8L208 I384 M385 D386L208-E382 HydrophobicContact CD1-CG 4.17Å; L208-E382 HydrophobicContact CD2-CG 3.76Å; L208-E382 HydrophobicContact CG-CG 4.32Å; E382-I384 VanDerWaalsContact C-N 3.33Å; E382-I384 PolarHBondContact O-N 3.11Å; E382-M385 HydrophobicContact CB-CE 4.43Å; E382-M385 HydrophobicContact CG-CE 4.1Å; E382-M385 WeakPolarHBondContact O-CB 3.31Å; E382-M385 PolarHBondContact O-N 3.39Å; E382-D386 PolarHBondContact O-N 3.2Å
383N88.5Confident91.6Very high54 Ų5428.6 Ų28.629%0.28915%0.152SC..Hα-helixtrans-58.6-41.5179.8-62.8-25.7000113V65 T381 D387V65-N383 HydrophobicContact CG2-CB 4.45Å; T381-N383 VanDerWaalsContact C-N 3.28Å; T381-N383 PolarHBondContact O-N 3.16Å; N383-D387 PolarHBondContact O-N 3.45Å
384I89.4Confident91.7Very high70 Ų7028.8 Ų28.836%0.35915%0.153SC..Hα-helixtrans-69.6-39.9176.8-65.9170.7000110V212 T381 E382 D386 D387 V388V212-I384 HydrophobicContact CG2-CG2 4.25Å; T381-I384 PolarHBondContact O-N 3.49Å; T381-I384 WeakPolarHBondContact OG1-CD1 3.24Å; T381-I384 VanDerWaalsContact OG1-CG1 3.31Å; T381-I384 WeakPolarHBondContact OG1-CG1 3.45Å; E382-I384 VanDerWaalsContact C-N 3.33Å; E382-I384 PolarHBondContact O-N 3.11Å; I384-D386 VanDerWaalsContact C-N 3.35Å; I384-D386 PolarHBondContact O-N 3.03Å; I384-D387 PolarHBondContact O-N 3.37Å; I384-V388 HydrophobicContact CG2-CG2 4.25Å; I384-V388 VanDerWaalsContact O-CG2 3.27Å; I384-V388 WeakPolarHBondContact O-CG2 3.38Å; I384-V388 PolarHBondContact O-N 3.39Å
385M90.9Very high91.6Very high3 Ų328.8 Ų28.82%0.01515%0.153CC..Hα-helixtrans-64.8-38.8178.6-67.4-168.6-61.500112.5K206 L208 I377 T381 E382 D387 V388 E389K206-M385 HydrophobicContact CB-CE 4.15Å; K206-M385 HydrophobicContact CB-SD 3.9Å; K206-M385 HydrophobicContact CD-CB 3.8Å; K206-M385 HydrophobicContact CG-CB 4.1Å; K206-M385 HydrophobicContact CG-SD 4.47Å; L208-M385 HydrophobicContact CD2-CE 3.31Å; L208-M385 HydrophobicContact CD2-SD 4.41Å; L208-M385 HydrophobicContact CG-CE 3.74Å; I377-M385 HydrophobicContact CG2-CG 4.44Å; T381-M385 PolarHBondContact O-N 3.18Å; E382-M385 HydrophobicContact CB-CE 4.43Å; E382-M385 HydrophobicContact CG-CE 4.1Å; E382-M385 WeakPolarHBondContact O-CB 3.31Å; E382-M385 PolarHBondContact O-N 3.39Å; M385-D387 VanDerWaalsContact C-N 3.32Å; M385-V388 PolarHBondContact O-N 3.2Å; M385-E389 WeakPolarHBondContact O-CB 3.36Å; M385-E389 PolarHBondContact O-N 2.9Å
386D90.9Very high91.6Very high32 Ų3228.7 Ų28.717%0.17115%0.152CC..Hα-helixtrans-63.6-39.3175.7-73.2-1.6000111.3K206 E382 I384 R390K206-D386 IonicContact NZ-OD1 3.3Å; K206-D386 PolarHBondContact NZ-OD1 3.22Å; E382-D386 PolarHBondContact O-N 3.2Å; I384-D386 VanDerWaalsContact C-N 3.35Å; I384-D386 PolarHBondContact O-N 3.03Å; D386-R390 WeakPolarHBondContact O-CG 3.28Å; D386-R390 PolarHBondContact O-N 3.45Å; D386-R390 VanDerWaalsContact O-N 3.1Å
387D88.7Confident91.5Very high5 Ų529.8 Ų29.83%0.02716%0.158CC..Hα-helixtrans-71.2-37.4177.4-159.749.4000112.2Q172 N383 I384 M385 R390 A391Q172-D387 PolarHBondContact NE2-OD2 3.1Å; N383-D387 PolarHBondContact O-N 3.45Å; I384-D387 PolarHBondContact O-N 3.37Å; M385-D387 VanDerWaalsContact C-N 3.32Å; D387-R390 PolarHBondContact O-N 3.44Å; D387-A391 PolarHBondContact O-N 3.09Å
388V92.2Very high91.4Very high0 Ų029.8 Ų29.80%016%0.159CC..Hα-helixtrans-67.7-39.7173.4174.90000111.5L175 L179 V212 I377 I384 M385 R390 A391 I392L175-V388 HydrophobicContact CD1-CG2 4.25Å; L179-V388 HydrophobicContact CD1-CG1 3.92Å; L179-V388 HydrophobicContact CD2-CG1 3.72Å; L179-V388 HydrophobicContact CG-CG1 4.49Å; V212-V388 HydrophobicContact CG1-CG1 4.14Å; V212-V388 HydrophobicContact CG1-CG2 4.29Å; V212-V388 HydrophobicContact CG2-CG2 4.35Å; I377-V388 HydrophobicContact CD1-CG1 4.12Å; I377-V388 HydrophobicContact CG2-CG1 4.05Å; I384-V388 HydrophobicContact CG2-CG2 4.25Å; I384-V388 VanDerWaalsContact O-CG2 3.27Å; I384-V388 WeakPolarHBondContact O-CG2 3.38Å; I384-V388 PolarHBondContact O-N 3.39Å; M385-V388 PolarHBondContact O-N 3.2Å; V388-R390 VanDerWaalsContact C-N 3.34Å; V388-A391 PolarHBondContact O-N 3.46Å; V388-A391 VanDerWaalsContact O-N 3.17Å; V388-I392 HydrophobicContact CG1-CD1 4.01Å; V388-I392 WeakPolarHBondContact O-CG1 3.21Å; V388-I392 PolarHBondContact O-N 3.46Å
389E92.3Very high91.4Very high49 Ų4929.2 Ų29.223%0.22916%0.156CC..Hα-helixtrans-58-46.9173.6176.7173.6-149.500110.7V204 K206 I377 M385 A391 I392 D393V204-E389 HydrophobicContact CB-CG 4.16Å; V204-E389 HydrophobicContact CG1-CB 4.16Å; V204-E389 HydrophobicContact CG1-CG 3.85Å; V204-E389 HydrophobicContact CG2-CG 4.37Å; K206-E389 WeakPolarHBondContact CD-OE2 3.38Å; K206-E389 WeakPolarHBondContact CE-OE2 3.16Å; K206-E389 IonicContact NZ-OE2 3.31Å; K206-E389 PolarHBondContact NZ-OE2 2.91Å; I377-E389 HydrophobicContact CD1-CB 4.33Å; M385-E389 WeakPolarHBondContact O-CB 3.36Å; M385-E389 PolarHBondContact O-N 2.9Å; E389-A391 VanDerWaalsContact C-N 3.3Å; E389-A391 PolarHBondContact O-N 3Å; E389-I392 WeakPolarHBondContact O-CB 2.79Å; E389-I392 PolarHBondContact O-N 2.9Å; E389-I392 VanDerWaalsContact O-N 3.09Å; E389-D393 PolarHBondContact O-N 3.32Å
390R89.7Confident91.3Very high36 Ų3631.4 Ų31.414%0.13617%0.166CC..Hα-helixtrans-62.2-34.4174.4-68.9174.3-167.1128.67.9113.3T66 T71 K171 D386 D387 V388 I392 D394T66-R390 PolarHBondContact OG1-NH1 3.3Å; T66-R390 VanDerWaalsContact OG1-NH1 3.16Å; T71-R390 WeakPolarHBondContact OG1-CD 3.32Å; T71-R390 PolarHBondContact OG1-NE 3.45Å; K171-R390 PolarHBondContact NZ-O 3.08Å; K171-R390 VanDerWaalsContact NZ-O 3.12Å; D386-R390 WeakPolarHBondContact O-CG 3.28Å; D386-R390 PolarHBondContact O-N 3.45Å; D386-R390 VanDerWaalsContact O-N 3.1Å; D387-R390 PolarHBondContact O-N 3.44Å; V388-R390 VanDerWaalsContact C-N 3.34Å; R390-I392 VanDerWaalsContact C-N 3.32Å; R390-D394 PolarHBondContact O-N 3.09Å; R390-D394 VanDerWaalsContact O-OD1 3.04Å
391A91.6Very high91.2Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-69.9-33.2175.400000112.1V168 K171 Q172 D387 V388 E389 G395V168-A391 HydrophobicContact CG1-CB 4.46Å; K171-A391 HydrophobicContact CB-CB 4.26Å; K171-A391 HydrophobicContact CD-CB 4.16Å; Q172-A391 HydrophobicContact CG-CB 4.26Å; D387-A391 PolarHBondContact O-N 3.09Å; V388-A391 PolarHBondContact O-N 3.46Å; V388-A391 VanDerWaalsContact O-N 3.17Å; E389-A391 VanDerWaalsContact C-N 3.3Å; E389-A391 PolarHBondContact O-N 3Å; A391-G395 PolarHBondContact O-N 3.03Å; A391-G395 VanDerWaalsContact O-N 3.17Å
392I93.7Very high91.1Very high4 Ų424.8 Ų24.82%0.02112%0.122CC..Hα-helixtrans-68.3-47.3173.4-74.6159.8000110.6L179 I183 V204 L375 I377 V388 E389 R390 D394 G395 V396L179-I392 HydrophobicContact CD2-CD1 4.34Å; I183-I392 HydrophobicContact CD1-CB 4.26Å; I183-I392 HydrophobicContact CD1-CG1 3.8Å; I183-I392 HydrophobicContact CG1-CB 4.36Å; I183-I392 HydrophobicContact CG1-CG1 3.88Å; I183-I392 HydrophobicContact CG1-CG2 4.24Å; V204-I392 HydrophobicContact CG2-CB 4.4Å; V204-I392 HydrophobicContact CG2-CG2 3.72Å; L375-I392 HydrophobicContact CD1-CD1 4.44Å; L375-I392 HydrophobicContact CD1-CG2 3.58Å; I377-I392 HydrophobicContact CD1-CD1 3.27Å; I377-I392 HydrophobicContact CG1-CD1 3.8Å; V388-I392 HydrophobicContact CG1-CD1 4.01Å; V388-I392 WeakPolarHBondContact O-CG1 3.21Å; V388-I392 PolarHBondContact O-N 3.46Å; E389-I392 WeakPolarHBondContact O-CB 2.79Å; E389-I392 PolarHBondContact O-N 2.9Å; E389-I392 VanDerWaalsContact O-N 3.09Å; R390-I392 VanDerWaalsContact C-N 3.32Å; I392-D394 VanDerWaalsContact C-N 3.34Å; I392-D394 PolarHBondContact O-N 2.95Å; I392-G395 PolarHBondContact O-N 3.1Å; I392-G395 VanDerWaalsContact O-N 3.09Å; I392-V396 HydrophobicContact CG2-CG2 4.26Å; I392-V396 VanDerWaalsContact O-CG2 3.31Å; I392-V396 WeakPolarHBondContact O-CG2 3.26Å; I392-V396 PolarHBondContact O-N 2.84Å
393D92.5Very high91Very high64 Ų6421.2 Ų21.234%0.34211%0.108SC..Hα-helixtrans-58.4-44.5-179.8-71-18.3000111.7E389 G395 V396 N397E389-D393 PolarHBondContact O-N 3.32Å; D393-G395 PolarHBondContact O-N 3.43Å; D393-V396 PolarHBondContact O-N 2.65Å; D393-N397 WeakPolarHBondContact O-CB 3.38Å; D393-N397 VanDerWaalsContact O-CG 3.27Å; D393-N397 PolarHBondContact O-N 3.1Å; D393-N397 PolarHBondContact O-ND2 3.3Å; D393-N397 VanDerWaalsContact O-ND2 3.11Å
394D92Very high90.9Very high4 Ų425 Ų252%0.02112%0.118CC..Hα-helixtrans-64.3-39.4174.7-77.445.7000112.7K171 R390 I392 V396 N397 T398K171-D394 VanDerWaalsContact CE-CG 3.47Å; K171-D394 WeakPolarHBondContact CE-OD2 3.45Å; K171-D394 IonicContact NZ-OD1 3.04Å; K171-D394 PolarHBondContact NZ-OD1 3.35Å; K171-D394 IonicContact NZ-OD2 2.82Å; K171-D394 PolarHBondContact NZ-OD2 3.17Å; R390-D394 PolarHBondContact O-N 3.09Å; R390-D394 VanDerWaalsContact O-OD1 3.04Å; I392-D394 VanDerWaalsContact C-N 3.34Å; I392-D394 PolarHBondContact O-N 2.95Å; D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.26Å; D394-N397 PolarHBondContact O-N 3.16Å; D394-T398 VanDerWaalsContact O-CB 3.3Å; D394-T398 WeakPolarHBondContact O-CB 3.25Å; D394-T398 PolarHBondContact O-N 2.96Å; D394-T398 PolarHBondContact O-OG1 2.66Å
395G92.3Very high90.8Very high0 Ų022.8 Ų22.80%011%0.109CC..Hα-helixtrans-62.2-40.2174.800000112.3A391 I392 D393 F399A391-G395 PolarHBondContact O-N 3.03Å; A391-G395 VanDerWaalsContact O-N 3.17Å; I392-G395 PolarHBondContact O-N 3.1Å; I392-G395 VanDerWaalsContact O-N 3.09Å; D393-G395 PolarHBondContact O-N 3.43Å; G395-F399 PolarHBondContact O-N 3Å; G395-F399 VanDerWaalsContact O-N 3.08Å
396V93.5Very high90.7Very high2 Ų224.7 Ų24.71%0.01212%0.121CC..Hα-helixtrans-69.8-40.6176.2176.20000111.2I183 F197 V199 I202 I392 D393 D394 F399 K400I183-V396 HydrophobicContact CG2-CG2 3.93Å; F197-V396 HydrophobicContact CE1-CG1 3.7Å; F197-V396 HydrophobicContact CZ-CG1 3.89Å; V199-V396 HydrophobicContact CB-CG1 4.33Å; V199-V396 HydrophobicContact CG1-CG1 3.81Å; V199-V396 HydrophobicContact CG2-CG1 4.32Å; I202-V396 HydrophobicContact CB-CG1 4.47Å; I202-V396 HydrophobicContact CB-CG2 4.35Å; I202-V396 HydrophobicContact CD1-CG1 3.89Å; I202-V396 HydrophobicContact CD1-CG2 3.77Å; I202-V396 HydrophobicContact CG2-CG2 4.05Å; I392-V396 HydrophobicContact CG2-CG2 4.26Å; I392-V396 VanDerWaalsContact O-CG2 3.31Å; I392-V396 WeakPolarHBondContact O-CG2 3.26Å; I392-V396 PolarHBondContact O-N 2.84Å; D393-V396 PolarHBondContact O-N 2.65Å; D394-V396 VanDerWaalsContact C-N 3.32Å; D394-V396 PolarHBondContact O-N 3.26Å; V396-F399 WeakPolarHBondContact O-CB 3.46Å; V396-F399 PolarHBondContact O-N 2.93Å; V396-K400 PolarHBondContact O-N 3.49Å
397N92.5Very high90.7Very high25 Ų2526.8 Ų26.813%0.13413%0.129CC..Hα-helixtrans-67.1-36.4176.1-74.4-37.9000112.3A97 D393 D394 F399 K400 C401A97-N397 WeakPolarHBondContact O-CB 3.07Å; D393-N397 WeakPolarHBondContact O-CB 3.38Å; D393-N397 VanDerWaalsContact O-CG 3.27Å; D393-N397 PolarHBondContact O-N 3.1Å; D393-N397 PolarHBondContact O-ND2 3.3Å; D393-N397 VanDerWaalsContact O-ND2 3.11Å; D394-N397 PolarHBondContact O-N 3.16Å; N397-F399 VanDerWaalsContact C-N 3.31Å; N397-F399 PolarHBondContact O-N 3.4Å; N397-K400 WeakPolarHBondContact O-CB 3.19Å; N397-K400 PolarHBondContact O-N 3.29Å; N397-C401 PolarHBondContact O-N 3.24Å; N397-C401 PolarHBondContact O-SG 3.13Å
398T91.7Very high90.9Very high4 Ų426.6 Ų26.63%0.02513%0.128CC..Hα-helixtrans-59.9-43.8170.7-60.70000110.2V163 A167 D394 C401 L402 L501V163-T398 HydrophobicContact CG1-CG2 3.96Å; A167-T398 HydrophobicContact CB-CG2 4.2Å; A167-T398 WeakPolarHBondContact CB-OG1 3.27Å; D394-T398 VanDerWaalsContact O-CB 3.3Å; D394-T398 WeakPolarHBondContact O-CB 3.25Å; D394-T398 PolarHBondContact O-N 2.96Å; D394-T398 PolarHBondContact O-OG1 2.66Å; T398-C401 WeakPolarHBondContact O-CB 3.38Å; T398-C401 PolarHBondContact O-N 2.84Å; T398-L402 PolarHBondContact O-N 3.04Å; T398-L501 HydrophobicContact CG2-CD1 3.51Å; T398-L501 HydrophobicContact CG2-CG 4.22Å; T398-L501 WeakPolarHBondContact O-CD1 3.48Å
399F91.6Very high91Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-63.8-42.1174.3-172.2-100.8000112.8I154 V160 I164 C187 L191 F197 G395 V396 N397 C401 L402 T403I154-F399 HydrophobicContact CG2-CE2 3.59Å; I154-F399 HydrophobicContact CG2-CZ 3.63Å; V160-F399 HydrophobicContact CB-CE2 4.49Å; V160-F399 HydrophobicContact CG1-CD2 3.51Å; V160-F399 HydrophobicContact CG1-CE2 3.63Å; V160-F399 HydrophobicContact CG2-CE2 4.03Å; I164-F399 HydrophobicContact CD1-CB 4.18Å; I164-F399 HydrophobicContact CD1-CD2 4.17Å; C187-F399 HydrophobicContact CB-CB 4.36Å; C187-F399 HydrophobicContact CB-CD1 3.55Å; C187-F399 HydrophobicContact CB-CD2 3.97Å; C187-F399 HydrophobicContact CB-CE1 3.67Å; C187-F399 HydrophobicContact CB-CE2 4.08Å; C187-F399 HydrophobicContact CB-CG 3.68Å; C187-F399 HydrophobicContact CB-CZ 3.93Å; L191-F399 HydrophobicContact CD1-CE1 4.14Å; L191-F399 HydrophobicContact CD1-CZ 4.38Å; F197-F399 HydrophobicContact CD1-CD1 4.1Å; F197-F399 AromaticContact CD2-CD1 3.89Å; F197-F399 HydrophobicContact CD2-CD1 3.89Å; F197-F399 AromaticContact CD2-CE1 3.7Å; F197-F399 HydrophobicContact CD2-CE1 3.7Å; F197-F399 AromaticContact CE1-CD1 3.9Å; F197-F399 HydrophobicContact CE1-CD1 3.9Å; F197-F399 AromaticContact CE2-CD1 3.67Å; F197-F399 HydrophobicContact CE2-CD1 3.67Å; F197-F399 AromaticContact CE2-CE1 3.69Å; F197-F399 HydrophobicContact CE2-CE1 3.69Å; F197-F399 HydrophobicContact CG-CD1 4.09Å; F197-F399 HydrophobicContact CG-CE1 4.19Å; F197-F399 AromaticContact CZ-CD1 3.67Å; F197-F399 HydrophobicContact CZ-CD1 3.67Å; F197-F399 HydrophobicContact CZ-CE1 4.19Å; G395-F399 PolarHBondContact O-N 3Å; G395-F399 VanDerWaalsContact O-N 3.08Å; V396-F399 WeakPolarHBondContact O-CB 3.46Å; V396-F399 PolarHBondContact O-N 2.93Å; N397-F399 VanDerWaalsContact C-N 3.31Å; N397-F399 PolarHBondContact O-N 3.4Å; F399-C401 VanDerWaalsContact C-N 3.28Å; F399-C401 PolarHBondContact O-N 3.11Å; F399-L402 HydrophobicContact CD2-CD1 4.42Å; F399-L402 WeakPolarHBondContact O-CB 3.32Å; F399-L402 PolarHBondContact O-N 3.13Å; F399-T403 HydrophobicContact CD1-CG2 4.3Å; F399-T403 HydrophobicContact CE1-CG2 4.07Å; F399-T403 WeakPolarHBondContact O-CG2 3.19Å; F399-T403 PolarHBondContact O-N 2.9Å
400K91Very high91Very high47 Ų4724.4 Ų24.420%0.20412%0.118CC..Hα-helixtrans-56.1-43.7172-175.3-157.4-169.1175.90111.2F197 V199 V396 N397 T403 R404F197-K400 HydrophobicContact CD1-CB 3.87Å; F197-K400 HydrophobicContact CD1-CG 4.28Å; F197-K400 HydrophobicContact CE1-CB 4.29Å; V199-K400 HydrophobicContact CG2-CB 4.12Å; V199-K400 HydrophobicContact CG2-CD 3.64Å; V199-K400 HydrophobicContact CG2-CG 4.14Å; V396-K400 PolarHBondContact O-N 3.49Å; N397-K400 WeakPolarHBondContact O-CB 3.19Å; N397-K400 PolarHBondContact O-N 3.29Å; K400-T403 PolarHBondContact O-N 2.89Å; K400-T403 PolarHBondContact O-OG1 3.26Å; K400-R404 PolarHBondContact O-N 3.26Å
401C89.9Confident91Very high2 Ų222.7 Ų22.71%0.01411%0.112CC..Hα-helixtrans-65.8-39.5177.5-700000112.6A97 N397 T398 F399 T403 R404 S405 L501A97-C401 VanDerWaalsContact CA-SG 3.58Å; A97-C401 PolarHBondContact O-SG 3Å; N397-C401 PolarHBondContact O-N 3.24Å; N397-C401 PolarHBondContact O-SG 3.13Å; T398-C401 WeakPolarHBondContact O-CB 3.38Å; T398-C401 PolarHBondContact O-N 2.84Å; F399-C401 VanDerWaalsContact C-N 3.28Å; F399-C401 PolarHBondContact O-N 3.11Å; C401-T403 VanDerWaalsContact C-N 3.28Å; C401-T403 PolarHBondContact O-N 3.3Å; C401-R404 PolarHBondContact O-N 2.87Å; C401-R404 VanDerWaalsContact O-N 3.09Å; C401-S405 PolarHBondContact O-N 3.49Å; C401-L501 HydrophobicContact CB-CD1 3.59Å
402L89.3Confident90.8Very high3 Ų323.4 Ų23.42%0.01612%0.118CC..Hα-helixtrans-56.4-40.9171.8-81.1168.8000111.9L151 V163 T398 F399 R404 S405 L408 L501L151-L402 HydrophobicContact CD1-CD2 3.86Å; V163-L402 HydrophobicContact CB-CD1 3.99Å; V163-L402 HydrophobicContact CG1-CD1 3.84Å; V163-L402 HydrophobicContact CG1-CD2 4.27Å; V163-L402 HydrophobicContact CG1-CG 4.27Å; V163-L402 HydrophobicContact CG2-CD1 4.44Å; T398-L402 PolarHBondContact O-N 3.04Å; F399-L402 HydrophobicContact CD2-CD1 4.42Å; F399-L402 WeakPolarHBondContact O-CB 3.32Å; F399-L402 PolarHBondContact O-N 3.13Å; L402-R404 PolarHBondContact O-N 2.9Å; L402-S405 CarbonylContact O-C 3.52Å; L402-S405 PolarHBondContact O-N 3.09Å; L402-L408 HydrophobicContact CD2-CD2 4.08Å; L402-L501 HydrophobicContact CD2-CD2 3.29Å; L402-L501 HydrophobicContact CG-CD1 4.42Å; L402-L501 HydrophobicContact CG-CD2 3.55Å
403T87.1Confident90.6Very high42 Ų4223.3 Ų23.326%0.25812%0.117SC..Hα-helixtrans-63.6-25.8177.171.40000114.2I154 L191 F197 F399 K400 C401I154-T403 HydrophobicContact CD1-CG2 4.46Å; I154-T403 HydrophobicContact CG2-CG2 4.39Å; L191-T403 HydrophobicContact CD1-CG2 4.19Å; F197-T403 HydrophobicContact CB-CG2 3.87Å; F197-T403 HydrophobicContact CG-CG2 4.43Å; F399-T403 HydrophobicContact CD1-CG2 4.3Å; F399-T403 HydrophobicContact CE1-CG2 4.07Å; F399-T403 WeakPolarHBondContact O-CG2 3.19Å; F399-T403 PolarHBondContact O-N 2.9Å; K400-T403 PolarHBondContact O-N 2.89Å; K400-T403 PolarHBondContact O-OG1 3.26Å; C401-T403 VanDerWaalsContact C-N 3.28Å; C401-T403 PolarHBondContact O-N 3.3Å
404R86.4Confident90.6Very high134 Ų13420.2 Ų20.251%0.50610%0.101SC..Hα-helixtrans-86.1-42.5177-66.6178.9174.2-177.5-5.3112.1E96 K400 C401 L402 L503E96-R404 IonicContact OE2-NH1 3.74Å; K400-R404 PolarHBondContact O-N 3.26Å; C401-R404 PolarHBondContact O-N 2.87Å; C401-R404 VanDerWaalsContact O-N 3.09Å; L402-R404 PolarHBondContact O-N 2.9Å; R404-L503 HydrophobicContact CB-CD2 4.3Å
405S86.8Confident90.7Very high22 Ų2220.3 Ų20.315%0.15410%0.102CC..  trans-145.5105.2-177.5174.60000110C401 L402 K407C401-S405 PolarHBondContact O-N 3.49Å; L402-S405 CarbonylContact O-C 3.52Å; L402-S405 PolarHBondContact O-N 3.09Å; S405-K407 PolarHBondContact O-N 2.86Å
406P88.6Confident90.8Very high43 Ų4320.9 Ų20.928%0.27910%0.104SC..  trans-80.126.1-175.932.4-36.2000114.3D150 L151D150-P406 WeakPolarHBondContact CA-O 3.29Å; L151-P406 HydrophobicContact CB-CB 3.93Å; L151-P406 PolarHBondContact N-O 3.27Å; L151-P406 WeakPolarHBondContact O-CB 3.49Å
407K92.3Very high90.8Very high77 Ų7720.8 Ų20.834%0.33510%0.104SC..EExtended strand (participates in β ladder)trans-92.9128.6-174.3-55.4-160.8172-178.40111.4V147 D150 S405 H502V147-K407 HydrophobicContact CG1-CB 3.94Å; V147-K407 HydrophobicContact CG1-CD 4.38Å; V147-K407 HydrophobicContact CG1-CG 4.46Å; V147-K407 HydrophobicContact CG2-CB 4.34Å; V147-K407 HydrophobicContact CG2-CD 4.2Å; D150-K407 VanDerWaalsContact OD1-CG 3.26Å; D150-K407 WeakPolarHBondContact OD1-CG 3.42Å; S405-K407 PolarHBondContact O-N 2.86Å; K407-H502 HydrophobicContact CB-CB 3.69Å; K407-H502 VanDerWaalsContact O-CB 3.29Å; K407-H502 WeakPolarHBondContact O-CB 3.43Å; K407-H502 PolarHBondContact O-N 3.1Å
408L92.6Very high90.9Very high0 Ų019.6 Ų19.60%010%0.097CC..EExtended strand (participates in β ladder)trans-112.2144.1-179.5-58.2-178.1000112.1V147 V148 E149 L151 V163 L402 L499 L501V147-L408 WeakPolarHBondContact CA-O 3.05Å; V148-L408 PolarHBondContact N-O 3Å; E149-L408 PolarHBondContact O-N 2.99Å; L151-L408 HydrophobicContact CD1-CD1 3.74Å; L151-L408 HydrophobicContact CD1-CD2 4.45Å; L151-L408 HydrophobicContact CD1-CG 4.25Å; L151-L408 HydrophobicContact CD2-CD1 4.43Å; L151-L408 HydrophobicContact CG-CD1 3.86Å; L151-L408 HydrophobicContact CG-CG 4.33Å; V163-L408 HydrophobicContact CG1-CD2 4.03Å; V163-L408 HydrophobicContact CG2-CD1 3.62Å; V163-L408 HydrophobicContact CG2-CD2 3.69Å; V163-L408 HydrophobicContact CG2-CG 4.32Å; L402-L408 HydrophobicContact CD2-CD2 4.08Å; L408-L499 HydrophobicContact CB-CB 4.39Å; L408-L499 HydrophobicContact CB-CD1 4.38Å; L408-L499 HydrophobicContact CD1-CB 4.34Å; L408-L499 HydrophobicContact CD1-CD1 3.65Å; L408-L501 HydrophobicContact CD2-CD2 3.75Å
409V93Very high91.1Very high0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-124.8156.2175.2-63.80000110.1L143 V147 G411 T415 L499 D500 H502 K505L143-V409 HydrophobicContact CD1-CG1 4.28Å; V147-V409 HydrophobicContact CG2-CG1 4.31Å; V409-G411 PolarHBondContact O-N 3.18Å; V409-T415 HydrophobicContact CB-CG2 3.61Å; V409-T415 HydrophobicContact CG2-CG2 3.84Å; V409-L499 WeakPolarHBondContact O-CA 3.35Å; V409-D500 HydrophobicContact CG2-CB 4.11Å; V409-D500 WeakPolarHBondContact CG2-O 3.43Å; V409-D500 PolarHBondContact N-O 2.95Å; V409-D500 PolarHBondContact O-N 2.9Å; V409-H502 HydrophobicContact CG1-CB 4.01Å; V409-K505 HydrophobicContact CG2-CG 4.17Å
410A92.2Very high91.2Very high3 Ų319.5 Ų19.53%0.02510%0.097CC..EExtended strand (participates in β ladder)trans-66.9122.9-179.700000111.2V148 A414 T415 H477 V494V148-A410 HydrophobicContact CG2-CB 4.33Å; A410-A414 HydrophobicContact CB-CB 3.93Å; A410-T415 WeakPolarHBondContact O-CG2 3.4Å; A410-T415 PolarHBondContact O-OG1 2.85Å; A410-H477 HydrophobicContact CB-CB 4.4Å; A410-V494 HydrophobicContact CB-CG2 4.38Å
411G90.2Very high91.4Very high0 Ų020.5 Ų20.50%010%0.099CC..THydrogen-bonded Turntrans-81.5-162.8179.500000113.4V409 G413 A414 S493 V498V409-G411 PolarHBondContact O-N 3.18Å; G411-G413 VanDerWaalsContact C-N 3.27Å; G411-G413 PolarHBondContact O-N 3.01Å; G411-A414 WeakPolarHBondContact O-CB 3.49Å; G411-A414 PolarHBondContact O-N 3.07Å; G411-S493 PolarHBondContact O-OG 2.72Å; G411-V498 PolarHBondContact N-O 3.09Å
412A87.9Confident91.6Very high16 Ų1623.4 Ų23.413%0.13211%0.11CC..THydrogen-bonded Turntrans59.629.3175.900000115.1G479 L480 V481 V498A412-G479 WeakPolarHBondContact O-CA 3.49Å; A412-L480 WeakPolarHBondContact CB-O 3.49Å; A412-L480 PolarHBondContact O-N 2.83Å; A412-V481 HydrophobicContact CB-CG2 4.24Å; A412-V498 HydrophobicContact CB-CG1 4.17Å
413G89.4Confident91.8Very high1 Ų123.2 Ų23.21%0.0111%0.109CC..THydrogen-bonded Turntrans89.3-4.3177.100000115.6G411 E416 I417G411-G413 VanDerWaalsContact C-N 3.27Å; G411-G413 PolarHBondContact O-N 3.01Å; G413-E416 VanDerWaalsContact C-OE2 3.22Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 PolarHBondContact O-N 2.76Å; G413-I417 WeakPolarHBondContact O-CG1 3.38Å; G413-I417 PolarHBondContact O-N 3.03Å; G413-I417 VanDerWaalsContact O-N 3.11Å
414A92.9Very high92.2Very high0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-62.7-47.1-18000000111A410 G411 E416 I417 E418 H471 T478A410-A414 HydrophobicContact CB-CB 3.93Å; G411-A414 WeakPolarHBondContact O-CB 3.49Å; G411-A414 PolarHBondContact O-N 3.07Å; A414-E416 VanDerWaalsContact C-N 3.29Å; A414-E416 PolarHBondContact O-N 3.23Å; A414-I417 PolarHBondContact O-N 2.96Å; A414-E418 WeakPolarHBondContact O-CB 3.26Å; A414-E418 PolarHBondContact O-N 3.31Å; A414-H471 PolarHBondContact O-NE2 2.84Å; A414-T478 WeakPolarHBondContact CB-O 3.5Å
415T93.9Very high92.5Very high5 Ų521.3 Ų21.33%0.03111%0.113CC..Hα-helixtrans-60.2-38.5176.947.50000113.1V409 A410 L419V409-T415 HydrophobicContact CB-CG2 3.61Å; V409-T415 HydrophobicContact CG2-CG2 3.84Å; A410-T415 WeakPolarHBondContact O-CG2 3.4Å; A410-T415 PolarHBondContact O-OG1 2.85Å; T415-L419 VanDerWaalsContact O-CB 3.27Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 2.92Å
416E94Very high92.9Very high12 Ų1223.5 Ų23.56%0.05612%0.119CC..Hα-helixtrans-72.7-39.6-175.2-66.487.2160.600111.6G413 A414 A420 F445 A448 K505G413-E416 VanDerWaalsContact C-OE2 3.22Å; G413-E416 WeakPolarHBondContact CA-OE2 3.34Å; G413-E416 PolarHBondContact O-N 2.76Å; A414-E416 VanDerWaalsContact C-N 3.29Å; A414-E416 PolarHBondContact O-N 3.23Å; E416-A420 WeakPolarHBondContact O-CB 3.41Å; E416-A420 PolarHBondContact O-N 3.37Å; E416-F445 HydrophobicContact CB-CB 4.43Å; E416-A448 HydrophobicContact CB-CB 4.28Å; E416-A448 HydrophobicContact CG-CB 3.81Å; E416-K505 IonicContact OE1-NZ 3.39Å; E416-K505 PolarHBondContact OE1-NZ 3.08Å
417I94.2Very high93.1Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-68.5-41.5174.6-65.5-66.7000110.8G413 A414 A420 R421 V449 L467 Y468 H471G413-I417 WeakPolarHBondContact O-CG1 3.38Å; G413-I417 PolarHBondContact O-N 3.03Å; G413-I417 VanDerWaalsContact O-N 3.11Å; A414-I417 PolarHBondContact O-N 2.96Å; I417-A420 PolarHBondContact O-N 2.86Å; I417-R421 WeakPolarHBondContact O-CB 3.47Å; I417-R421 PolarHBondContact O-N 2.67Å; I417-V449 HydrophobicContact CD1-CB 4.33Å; I417-V449 HydrophobicContact CD1-CG2 3.84Å; I417-V449 HydrophobicContact CG1-CG2 3.64Å; I417-L467 HydrophobicContact CG1-CB 4.42Å; I417-L467 HydrophobicContact CG1-CD1 4.44Å; I417-Y468 HydrophobicContact CD1-CE2 4.18Å; I417-Y468 HydrophobicContact CG2-CD1 4.12Å; I417-Y468 HydrophobicContact CG2-CE1 4.16Å; I417-Y468 HydrophobicContact CG2-CG 4.42Å; I417-H471 HydrophobicContact CG2-CB 4.35Å
418E94.2Very high93.1Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-67.1-39.5177.3-176.364.5-178.900112.1L146 A414 R421 R422 H471 I476L146-E418 HydrophobicContact CD1-CB 4.24Å; L146-E418 HydrophobicContact CD1-CG 3.95Å; L146-E418 HydrophobicContact CD2-CG 3.57Å; L146-E418 HydrophobicContact CG-CG 4.42Å; A414-E418 WeakPolarHBondContact O-CB 3.26Å; A414-E418 PolarHBondContact O-N 3.31Å; E418-R421 VanDerWaalsContact CD-NH2 3.3Å; E418-R421 PolarHBondContact O-N 3.41Å; E418-R421 IonicContact OE1-CZ 3.34Å; E418-R421 IonicContact OE1-NE 3.95Å; E418-R421 IonicContact OE1-NH2 3.03Å; E418-R421 PolarHBondContact OE1-NH2 2.78Å; E418-R421 IonicContact OE2-CZ 2.78Å; E418-R421 IonicContact OE2-NE 2.7Å; E418-R421 PolarHBondContact OE2-NE 3.29Å; E418-R421 IonicContact OE2-NH2 3.74Å; E418-R421 PolarHBondContact OE2-NH2 2.87Å; E418-R422 WeakPolarHBondContact O-CG 3.48Å; E418-R422 PolarHBondContact O-N 2.65Å; E418-R422 IonicContact OE1-CZ 3Å; E418-R422 IonicContact OE1-NE 3.03Å; E418-R422 PolarHBondContact OE1-NE 3.03Å; E418-R422 IonicContact OE1-NH2 3.36Å; E418-R422 PolarHBondContact OE1-NH2 2.82Å; E418-H471 IonicContact OE2-CD2 3.67Å; E418-I476 HydrophobicContact CB-CG2 4.14Å; E418-I476 HydrophobicContact CG-CG2 3.66Å
419L94.8Very high93.2Very high3 Ų325.3 Ų25.32%0.01615%0.147CC..Hα-helixtrans-60.3-47.7171.3-77.1170.9000110.9A139 I142 L143 L146 T415 R421 R422 L423 F445 I509A139-L419 HydrophobicContact CB-CD2 4.43Å; A139-L419 WeakPolarHBondContact O-CD2 3.33Å; I142-L419 HydrophobicContact CB-CD2 3.91Å; I142-L419 HydrophobicContact CG2-CD2 3.62Å; L143-L419 HydrophobicContact CB-CD2 4.46Å; L143-L419 HydrophobicContact CD1-CD1 4.4Å; L146-L419 HydrophobicContact CD1-CD2 4.21Å; L146-L419 HydrophobicContact CD1-CG 4.14Å; T415-L419 VanDerWaalsContact O-CB 3.27Å; T415-L419 WeakPolarHBondContact O-CB 3.45Å; T415-L419 WeakPolarHBondContact O-CG 3.37Å; T415-L419 PolarHBondContact O-N 2.92Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.81Å; L419-R422 PolarHBondContact O-N 2.84Å; L419-L423 WeakPolarHBondContact O-CB 3.19Å; L419-L423 WeakPolarHBondContact O-CD1 3.41Å; L419-L423 WeakPolarHBondContact O-CG 3.19Å; L419-L423 PolarHBondContact O-N 3.35Å; L419-F445 HydrophobicContact CD1-CD1 4.34Å; L419-F445 HydrophobicContact CD1-CE1 4.1Å; L419-I509 HydrophobicContact CD1-CD1 3.96Å
420A94.7Very high93.1Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-56.8-48.3176.900000111.2E416 I417 L423 L424 A442 F445 Y468E416-A420 WeakPolarHBondContact O-CB 3.41Å; E416-A420 PolarHBondContact O-N 3.37Å; I417-A420 PolarHBondContact O-N 2.86Å; A420-L423 PolarHBondContact O-N 3.24Å; A420-L424 WeakPolarHBondContact O-CB 3.45Å; A420-L424 VanDerWaalsContact O-CG 3.24Å; A420-L424 WeakPolarHBondContact O-CG 3.05Å; A420-L424 PolarHBondContact O-N 3.06Å; A420-A442 WeakPolarHBondContact CB-O 3.26Å; A420-F445 HydrophobicContact CB-CB 4.15Å; A420-Y468 WeakPolarHBondContact CB-OH 3.19Å
421R94Very high93.1Very high68 Ų6831.5 Ų31.526%0.25719%0.186SC..Hα-helixtrans-59.8-52.1179.6-171.2179.973.6107.4-0.1112.2I417 E418 L419 L423 L424 S425 Y468I417-R421 WeakPolarHBondContact O-CB 3.47Å; I417-R421 PolarHBondContact O-N 2.67Å; E418-R421 VanDerWaalsContact CD-NH2 3.3Å; E418-R421 PolarHBondContact O-N 3.41Å; E418-R421 IonicContact OE1-CZ 3.34Å; E418-R421 IonicContact OE1-NE 3.95Å; E418-R421 IonicContact OE1-NH2 3.03Å; E418-R421 PolarHBondContact OE1-NH2 2.78Å; E418-R421 IonicContact OE2-CZ 2.78Å; E418-R421 IonicContact OE2-NE 2.7Å; E418-R421 PolarHBondContact OE2-NE 3.29Å; E418-R421 IonicContact OE2-NH2 3.74Å; E418-R421 PolarHBondContact OE2-NH2 2.87Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.81Å; R421-L423 PolarHBondContact O-N 3.13Å; R421-L424 WeakPolarHBondContact O-CB 3.4Å; R421-L424 PolarHBondContact O-N 3.05Å; R421-S425 PolarHBondContact O-N 2.84Å; R421-S425 VanDerWaalsContact O-N 3.08Å; R421-S425 PolarHBondContact O-OG 3.39Å; R421-Y468 HydrophobicContact CB-CE1 4.36Å
422R94.5Very high93.1Very high62 Ų6234 Ų3423%0.23421%0.212CC..Hα-helixtrans-67.9-35.3-178.5-68.6-168.2-166.4-175.16.1112.4I142 E145 L146 E418 L419 S425 Y426I142-R422 HydrophobicContact CD1-CB 3.76Å; I142-R422 HydrophobicContact CG2-CB 4.34Å; E145-R422 IonicContact OE2-NH1 2.68Å; E145-R422 PolarHBondContact OE2-NH1 3.37Å; L146-R422 VanDerWaalsContact CD2-NH2 3.31Å; E418-R422 WeakPolarHBondContact O-CG 3.48Å; E418-R422 PolarHBondContact O-N 2.65Å; E418-R422 IonicContact OE1-CZ 3Å; E418-R422 IonicContact OE1-NE 3.03Å; E418-R422 PolarHBondContact OE1-NE 3.03Å; E418-R422 IonicContact OE1-NH2 3.36Å; E418-R422 PolarHBondContact OE1-NH2 2.82Å; L419-R422 PolarHBondContact O-N 2.84Å; R422-S425 PolarHBondContact O-N 2.83Å; R422-Y426 WeakPolarHBondContact O-CB 3.47Å; R422-Y426 PolarHBondContact O-N 3.32Å
423L95Very high93.2Very high0 Ų037.3 Ų37.30%023%0.227CC..Hα-helixtrans-69.1-35.3174.7-70.9169.2000112.1K138 A139 I142 L419 A420 R421 Y426 A427 F441 A442 F445K138-L423 HydrophobicContact CB-CD2 4.01Å; K138-L423 HydrophobicContact CG-CD2 4.12Å; A139-L423 HydrophobicContact CB-CD1 3.94Å; A139-L423 HydrophobicContact CB-CD2 4.23Å; I142-L423 HydrophobicContact CD1-CD2 4.07Å; I142-L423 HydrophobicContact CD1-CG 4.27Å; L419-L423 WeakPolarHBondContact O-CB 3.19Å; L419-L423 WeakPolarHBondContact O-CD1 3.41Å; L419-L423 WeakPolarHBondContact O-CG 3.19Å; L419-L423 PolarHBondContact O-N 3.35Å; A420-L423 PolarHBondContact O-N 3.24Å; R421-L423 PolarHBondContact O-N 3.13Å; L423-Y426 PolarHBondContact O-N 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.34Å; L423-A427 PolarHBondContact O-N 3.33Å; L423-F441 HydrophobicContact CD1-CD1 4.08Å; L423-F441 HydrophobicContact CD1-CE1 4.1Å; L423-A442 HydrophobicContact CB-CB 3.54Å; L423-F445 HydrophobicContact CD1-CD2 3.84Å; L423-F445 HydrophobicContact CD1-CE2 3.41Å; L423-F445 VanDerWaalsContact CD1-CE2 3.41Å; L423-F445 HydrophobicContact CD1-CZ 4.25Å
424L94.6Very high93.2Very high57 Ų5740.1 Ų40.130%0.29824%0.24SC..Hα-helixtrans-63.1-41.8171.6-75.1171.2000111.5A420 R421 A427 G428 R439 A442A420-L424 WeakPolarHBondContact O-CB 3.45Å; A420-L424 VanDerWaalsContact O-CG 3.24Å; A420-L424 WeakPolarHBondContact O-CG 3.05Å; A420-L424 PolarHBondContact O-N 3.06Å; R421-L424 WeakPolarHBondContact O-CB 3.4Å; R421-L424 PolarHBondContact O-N 3.05Å; L424-A427 WeakPolarHBondContact O-CB 3.5Å; L424-A427 PolarHBondContact O-N 3.07Å; L424-G428 PolarHBondContact O-N 2.78Å; L424-R439 HydrophobicContact CD2-CG 3.52Å; L424-A442 HydrophobicContact CD2-CB 3.88Å; L424-A442 HydrophobicContact CG-CB 3.74Å
425S93.6Very high93.3Very high79 Ų7943.2 Ų43.255%0.55225%0.254SS*.Hα-helixtrans-62.5-42.9173.2-54.30000111.8R421 R422 A427 G428R421-S425 PolarHBondContact O-N 2.84Å; R421-S425 VanDerWaalsContact O-N 3.08Å; R421-S425 PolarHBondContact O-OG 3.39Å; R422-S425 PolarHBondContact O-N 2.83Å; S425-A427 PolarHBondContact O-N 3.23Å; S425-G428 PolarHBondContact O-N 3.34Å; S425-G428 VanDerWaalsContact O-N 3.16Å
426Y93.7Very high93.3Very high68 Ų6848 Ų4827%0.26727%0.272SS..Hα-helixtrans-62.7-40.9175.7179.1-111.4000112.2K138 R422 L423 G428 T429 V430 I438K138-Y426 HydrophobicContact CB-CD1 4.11Å; K138-Y426 HydrophobicContact CB-CE1 4.01Å; K138-Y426 HydrophobicContact CD-CD1 4.43Å; K138-Y426 HydrophobicContact CD-CD2 3.97Å; K138-Y426 HydrophobicContact CD-CE1 4.38Å; K138-Y426 HydrophobicContact CD-CE2 3.91Å; K138-Y426 HydrophobicContact CD-CG 4.24Å; K138-Y426 HydrophobicContact CG-CD1 3.8Å; K138-Y426 HydrophobicContact CG-CD2 4.12Å; K138-Y426 HydrophobicContact CG-CE1 4.02Å; K138-Y426 HydrophobicContact CG-CE2 4.32Å; K138-Y426 HydrophobicContact CG-CG 3.85Å; R422-Y426 WeakPolarHBondContact O-CB 3.47Å; R422-Y426 PolarHBondContact O-N 3.32Å; L423-Y426 PolarHBondContact O-N 3.27Å; Y426-G428 PolarHBondContact O-N 3.22Å; Y426-T429 PolarHBondContact O-N 2.68Å; Y426-T429 PolarHBondContact O-OG1 3.46Å; Y426-V430 HydrophobicContact CD1-CG2 4.3Å; Y426-V430 HydrophobicContact CD2-CG2 4.48Å; Y426-V430 HydrophobicContact CE1-CG2 3.77Å; Y426-V430 HydrophobicContact CE2-CG2 3.98Å; Y426-V430 PolarHBondContact O-N 3.01Å; Y426-I438 HydrophobicContact CD1-CG2 3.97Å; Y426-I438 HydrophobicContact CE1-CD1 4.11Å; Y426-I438 HydrophobicContact CE1-CG2 4.47Å
427A93.4Very high93.3Very high2 Ų247.5 Ų47.52%0.01727%0.27CS..Hα-helixtrans-56.8-34.417500000111.8L423 L424 S425 T429 Q435 I438 R439L423-A427 WeakPolarHBondContact O-CB 3.34Å; L423-A427 PolarHBondContact O-N 3.33Å; L424-A427 WeakPolarHBondContact O-CB 3.5Å; L424-A427 PolarHBondContact O-N 3.07Å; S425-A427 PolarHBondContact O-N 3.23Å; A427-T429 PolarHBondContact O-N 2.87Å; A427-Q435 VanDerWaalsContact O-CG 3.26Å; A427-Q435 WeakPolarHBondContact O-CG 3.41Å; A427-Q435 PolarHBondContact O-NE2 3.28Å; A427-I438 HydrophobicContact CB-CB 4.16Å; A427-I438 HydrophobicContact CB-CG2 3.79Å; A427-R439 HydrophobicContact CB-CB 4.11Å
428G92.8Very high93.4Very high56 Ų5647.5 Ų47.558%0.57727%0.27SS*.Hα-helixtrans-64.7-2417500000114.6L424 S425 Y426L424-G428 PolarHBondContact O-N 2.78Å; S425-G428 PolarHBondContact O-N 3.34Å; S425-G428 VanDerWaalsContact O-N 3.16Å; Y426-G428 PolarHBondContact O-N 3.22Å
429T93.5Very high93.4Very high100 Ų10051.7 Ų51.761%0.61329%0.286SS*.Hα-helixtrans-90.7-23.8-176.865.10000114Y426 A427 P431Y426-T429 PolarHBondContact O-N 2.68Å; Y426-T429 PolarHBondContact O-OG1 3.46Å; A427-T429 PolarHBondContact O-N 2.87Å; T429-P431 WeakPolarHBondContact O-CD 3.26Å
430V92.1Very high93.5Very high19 Ų1951.8 Ų51.812%0.11529%0.286CS..  trans-85.6120.7-176.51790000109.7Y426 I438Y426-V430 HydrophobicContact CD1-CG2 4.3Å; Y426-V430 HydrophobicContact CD2-CG2 4.48Å; Y426-V430 HydrophobicContact CE1-CG2 3.77Å; Y426-V430 HydrophobicContact CE2-CG2 3.98Å; Y426-V430 PolarHBondContact O-N 3.01Å; V430-I438 HydrophobicContact CB-CD1 4.11Å; V430-I438 HydrophobicContact CG1-CD1 4.05Å; V430-I438 HydrophobicContact CG2-CD1 3.99Å
431P90.9Very high93.5Very high114 Ų11451.8 Ų51.874%0.7429%0.286SS*.  trans-78.1156173.332.6-34.3000111.5T429T429-P431 WeakPolarHBondContact O-CD 3.26Å
432G90.1Very high93.6Very high51 Ų5148.5 Ų48.553%0.52627%0.274SS..SBendtrans100.3-177.1172.300000114.4E434 Q435G432-E434 PolarHBondContact O-N 3.4Å; G432-Q435 VanDerWaalsContact O-CB 3.23Å; G432-Q435 WeakPolarHBondContact O-CB 3.49Å; G432-Q435 PolarHBondContact O-N 3.05Å
433L91Very high93.5Very high87 Ų8749.9 Ų49.946%0.45528%0.279SS..THydrogen-bonded Turntrans-69.1-22.4-174.7-67.3173000113.1L123 Q435 Y436L123-L433 HydrophobicContact CD2-CB 3.9Å; L123-L433 HydrophobicContact CD2-CD2 4.38Å; L433-Q435 PolarHBondContact O-N 3.36Å; L433-Y436 HydrophobicContact CD2-CD2 4.48Å; L433-Y436 HydrophobicContact CD2-CE2 4.29Å; L433-Y436 WeakPolarHBondContact O-CD2 3.1Å; L433-Y436 PolarHBondContact O-N 3.04Å
434E90Very high93.6Very high59 Ų5949.9 Ų49.928%0.27628%0.279SS..Hα-helixtrans-66.7-22.3178.2-59.1176.214000112S130 M134 G432 Y436 A437 I438S130-E434 VanDerWaalsContact CB-OE1 3.3Å; S130-E434 WeakPolarHBondContact CB-OE1 3.45Å; S130-E434 PolarHBondContact OG-OE1 2.88Å; M134-E434 HydrophobicContact CE-CB 3.37Å; M134-E434 HydrophobicContact CE-CG 3.76Å; M134-E434 WeakPolarHBondContact CE-OE2 3.15Å; G432-E434 PolarHBondContact O-N 3.4Å; E434-Y436 VanDerWaalsContact C-N 3.26Å; E434-Y436 PolarHBondContact O-N 3.3Å; E434-A437 PolarHBondContact O-N 3.11Å; E434-A437 VanDerWaalsContact O-N 3.11Å; E434-I438 WeakPolarHBondContact O-CG1 3.31Å; E434-I438 PolarHBondContact O-N 3.31Å
435Q94.1Very high93.6Very high65 Ų6547.4 Ų47.430%0.30427%0.266SS..Hα-helixtrans-51.7-44.9172.7174.2168.344.400112.2A427 G432 L433 A437 I438 R439A427-Q435 VanDerWaalsContact O-CG 3.26Å; A427-Q435 WeakPolarHBondContact O-CG 3.41Å; A427-Q435 PolarHBondContact O-NE2 3.28Å; G432-Q435 VanDerWaalsContact O-CB 3.23Å; G432-Q435 WeakPolarHBondContact O-CB 3.49Å; G432-Q435 PolarHBondContact O-N 3.05Å; L433-Q435 PolarHBondContact O-N 3.36Å; Q435-A437 VanDerWaalsContact C-N 3.34Å; Q435-A437 PolarHBondContact O-N 2.93Å; Q435-I438 PolarHBondContact O-N 3.22Å; Q435-R439 WeakPolarHBondContact O-CB 3.39Å; Q435-R439 PolarHBondContact O-N 2.92Å
436Y94.3Very high93.6Very high106 Ų10645 Ų4542%0.41625%0.246SC..Hα-helixtrans-63.4-43.4-179.9-64-75000111L433 E434 R439 E440L433-Y436 HydrophobicContact CD2-CD2 4.48Å; L433-Y436 HydrophobicContact CD2-CE2 4.29Å; L433-Y436 WeakPolarHBondContact O-CD2 3.1Å; L433-Y436 PolarHBondContact O-N 3.04Å; E434-Y436 VanDerWaalsContact C-N 3.26Å; E434-Y436 PolarHBondContact O-N 3.3Å; Y436-R439 PolarHBondContact O-N 2.81Å; Y436-E440 WeakPolarHBondContact O-CG 3.4Å; Y436-E440 PolarHBondContact O-N 3.16Å
437A94.5Very high93.6Very high1 Ų142.6 Ų42.61%0.00824%0.238CC..Hα-helixtrans-65-42178.200000112.3L118 F132 E434 Q435 R439 E440 F441L118-A437 HydrophobicContact CD1-CB 4.19Å; F132-A437 HydrophobicContact CD1-CB 4.37Å; F132-A437 HydrophobicContact CE1-CB 4.5Å; F132-A437 WeakPolarHBondContact CE1-O 3.31Å; E434-A437 PolarHBondContact O-N 3.11Å; E434-A437 VanDerWaalsContact O-N 3.11Å; Q435-A437 VanDerWaalsContact C-N 3.34Å; Q435-A437 PolarHBondContact O-N 2.93Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 2.95Å; A437-E440 PolarHBondContact O-N 2.8Å; A437-F441 VanDerWaalsContact O-CB 3.26Å; A437-F441 WeakPolarHBondContact O-CB 3.47Å; A437-F441 PolarHBondContact O-N 2.79Å
438I95.4Very high93.4Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-63.8-38.8175.5-61.8166.3000110.7M134 Y426 A427 V430 E434 Q435 F441 A442M134-I438 HydrophobicContact CB-CD1 4.5Å; M134-I438 HydrophobicContact CE-CD1 4.08Å; Y426-I438 HydrophobicContact CD1-CG2 3.97Å; Y426-I438 HydrophobicContact CE1-CD1 4.11Å; Y426-I438 HydrophobicContact CE1-CG2 4.47Å; A427-I438 HydrophobicContact CB-CB 4.16Å; A427-I438 HydrophobicContact CB-CG2 3.79Å; V430-I438 HydrophobicContact CB-CD1 4.11Å; V430-I438 HydrophobicContact CG1-CD1 4.05Å; V430-I438 HydrophobicContact CG2-CD1 3.99Å; E434-I438 WeakPolarHBondContact O-CG1 3.31Å; E434-I438 PolarHBondContact O-N 3.31Å; Q435-I438 PolarHBondContact O-N 3.22Å; I438-F441 WeakPolarHBondContact O-CB 3.4Å; I438-F441 PolarHBondContact O-N 2.81Å; I438-A442 PolarHBondContact O-N 2.98Å
439R95.4Very high93.4Very high88 Ų8840.4 Ų40.433%0.33222%0.215SC..Hα-helixtrans-65.3-44179.4-164.8-174.169.7165.4-1.1112.1L424 A427 Q435 Y436 A437 A442 R443L424-R439 HydrophobicContact CD2-CG 3.52Å; A427-R439 HydrophobicContact CB-CB 4.11Å; Q435-R439 WeakPolarHBondContact O-CB 3.39Å; Q435-R439 PolarHBondContact O-N 2.92Å; Y436-R439 PolarHBondContact O-N 2.81Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 2.95Å; R439-A442 WeakPolarHBondContact O-CB 3.39Å; R439-A442 PolarHBondContact O-N 3.06Å; R439-R443 PolarHBondContact O-N 3.5Å
440E94.9Very high93.4Very high5 Ų538.6 Ų38.62%0.02320%0.198CC..Hα-helixtrans-74.6-28.6176.3-51.3-53.8141.800112.2Q114 L118 Y436 A437 A442 R443 A444Q114-E440 HydrophobicContact CB-CB 3.86Å; Q114-E440 HydrophobicContact CG-CB 4.24Å; Q114-E440 PolarHBondContact OE1-OE2 3.27Å; Q114-E440 VanDerWaalsContact OE1-OE2 3.07Å; L118-E440 HydrophobicContact CD1-CB 4.08Å; L118-E440 HydrophobicContact CD1-CG 4.05Å; L118-E440 HydrophobicContact CD2-CG 3.68Å; L118-E440 HydrophobicContact CG-CB 4.41Å; L118-E440 HydrophobicContact CG-CG 3.89Å; Y436-E440 WeakPolarHBondContact O-CG 3.4Å; Y436-E440 PolarHBondContact O-N 3.16Å; A437-E440 PolarHBondContact O-N 2.8Å; E440-A442 VanDerWaalsContact C-N 3.3Å; E440-A442 PolarHBondContact O-N 2.92Å; E440-R443 VanDerWaalsContact CD-NH1 3.28Å; E440-R443 PolarHBondContact O-N 3.5Å; E440-R443 IonicContact OE1-CZ 3.74Å; E440-R443 IonicContact OE1-NH1 3.87Å; E440-R443 PolarHBondContact OE1-NH1 2.84Å; E440-R443 WeakPolarHBondContact OE2-CD 3.42Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 2.84Å; E440-R443 IonicContact OE2-NH1 2.73Å; E440-R443 PolarHBondContact OE2-NH1 2.58Å; E440-A444 PolarHBondContact O-N 2.94Å
441F95.6Very high93.5Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-57.6-44.1168.3-174.4-97.4000111.4L111 F132 G135 C136 A139 L423 A437 I438 A444 F445 T513L111-F441 HydrophobicContact CD1-CE2 4.03Å; L111-F441 HydrophobicContact CD2-CD2 3.28Å; L111-F441 HydrophobicContact CD2-CE2 3.58Å; L111-F441 HydrophobicContact CD2-CG 4.19Å; L111-F441 HydrophobicContact CG-CE2 4.47Å; F132-F441 HydrophobicContact CB-CD2 4.19Å; F132-F441 HydrophobicContact CD1-CB 3.92Å; F132-F441 AromaticContact CD1-CD2 3.82Å; F132-F441 HydrophobicContact CD1-CD2 3.82Å; F132-F441 HydrophobicContact CD1-CG 4.32Å; F132-F441 HydrophobicContact CE1-CB 4.1Å; F132-F441 HydrophobicContact CE1-CD2 4.37Å; F132-F441 HydrophobicContact CG-CD2 4.03Å; G135-F441 WeakPolarHBondContact O-CE1 3.38Å; C136-F441 HydrophobicContact CB-CZ 4.15Å; A139-F441 HydrophobicContact CB-CE1 4.23Å; L423-F441 HydrophobicContact CD1-CD1 4.08Å; L423-F441 HydrophobicContact CD1-CE1 4.1Å; A437-F441 VanDerWaalsContact O-CB 3.26Å; A437-F441 WeakPolarHBondContact O-CB 3.47Å; A437-F441 PolarHBondContact O-N 2.79Å; I438-F441 WeakPolarHBondContact O-CB 3.4Å; I438-F441 PolarHBondContact O-N 2.81Å; F441-A444 WeakPolarHBondContact O-CB 3.37Å; F441-A444 PolarHBondContact O-N 3.32Å; F441-F445 AromaticContact CD1-CE2 3.85Å; F441-F445 HydrophobicContact CD1-CE2 3.85Å; F441-F445 AromaticContact CE1-CE2 3.42Å; F441-F445 HydrophobicContact CE1-CE2 3.42Å; F441-F445 VanDerWaalsContact CE1-CE2 3.42Å; F441-F445 AromaticContact CE1-CZ 3.86Å; F441-F445 HydrophobicContact CE1-CZ 3.86Å; F441-F445 AromaticContact CZ-CE2 3.94Å; F441-F445 HydrophobicContact CZ-CE2 3.94Å; F441-F445 HydrophobicContact CZ-CZ 4.05Å; F441-F445 WeakPolarHBondContact O-CD2 3.49Å; F441-T513 HydrophobicContact CE2-CG2 3.4Å; F441-T513 VanDerWaalsContact CE2-CG2 3.4Å; F441-T513 HydrophobicContact CZ-CG2 3.55Å
442A95.3Very high93.5Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-62.3-43175.800000112.4A420 L423 L424 I438 R439 E440 A444 F445A420-A442 WeakPolarHBondContact CB-O 3.26Å; L423-A442 HydrophobicContact CB-CB 3.54Å; L424-A442 HydrophobicContact CD2-CB 3.88Å; L424-A442 HydrophobicContact CG-CB 3.74Å; I438-A442 PolarHBondContact O-N 2.98Å; R439-A442 WeakPolarHBondContact O-CB 3.39Å; R439-A442 PolarHBondContact O-N 3.06Å; E440-A442 VanDerWaalsContact C-N 3.3Å; E440-A442 PolarHBondContact O-N 2.92Å; A442-A444 VanDerWaalsContact C-N 3.26Å; A442-A444 PolarHBondContact O-N 3.1Å; A442-F445 PolarHBondContact O-N 3.1Å
443R94.4Very high93.6Very high90 Ų9031 Ų3134%0.3414%0.139SC..Hα-helixtrans-65-27.3177.5-73.3166.7170.3-172.1-1.5113.5R439 E440 F445 E446R439-R443 PolarHBondContact O-N 3.5Å; E440-R443 VanDerWaalsContact CD-NH1 3.28Å; E440-R443 PolarHBondContact O-N 3.5Å; E440-R443 IonicContact OE1-CZ 3.74Å; E440-R443 IonicContact OE1-NH1 3.87Å; E440-R443 PolarHBondContact OE1-NH1 2.84Å; E440-R443 WeakPolarHBondContact OE2-CD 3.42Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 2.84Å; E440-R443 IonicContact OE2-NH1 2.73Å; E440-R443 PolarHBondContact OE2-NH1 2.58Å; R443-F445 PolarHBondContact O-N 2.98Å; R443-E446 WeakPolarHBondContact O-CB 3.41Å; R443-E446 PolarHBondContact O-N 3.25Å
444A95.2Very high93.6Very high0 Ų031.3 Ų31.30%014%0.138CC..Hα-helixtrans-63.1-29.5177.500000112.7L107 A110 L111 Q114 E440 F441 A442 E446 V447L107-A444 HydrophobicContact CD1-CB 4.4Å; A110-A444 HydrophobicContact CB-CB 3.91Å; L111-A444 HydrophobicContact CD2-CB 3.59Å; L111-A444 HydrophobicContact CG-CB 4.04Å; Q114-A444 HydrophobicContact CG-CB 4.31Å; E440-A444 PolarHBondContact O-N 2.94Å; F441-A444 WeakPolarHBondContact O-CB 3.37Å; F441-A444 PolarHBondContact O-N 3.32Å; A442-A444 VanDerWaalsContact C-N 3.26Å; A442-A444 PolarHBondContact O-N 3.1Å; A444-E446 PolarHBondContact O-N 2.93Å; A444-V447 WeakPolarHBondContact O-CB 3.32Å; A444-V447 WeakPolarHBondContact O-CG2 3.21Å; A444-V447 PolarHBondContact O-N 2.9Å
445F94.9Very high93.6Very high6 Ų630.1 Ų30.13%0.02613%0.133CC..THydrogen-bonded Turntrans-65.3-25.3177-74.7-80.7000113.6L107 A139 E416 L419 A420 L423 F441 A442 R443 V447 A448 I509L107-F445 HydrophobicContact CD1-CD1 4.1Å; L107-F445 HydrophobicContact CD1-CE1 4.22Å; L107-F445 HydrophobicContact CD1-CG 4.43Å; L107-F445 HydrophobicContact CD2-CE1 4.15Å; A139-F445 HydrophobicContact CB-CZ 4.16Å; E416-F445 HydrophobicContact CB-CB 4.43Å; L419-F445 HydrophobicContact CD1-CD1 4.34Å; L419-F445 HydrophobicContact CD1-CE1 4.1Å; A420-F445 HydrophobicContact CB-CB 4.15Å; L423-F445 HydrophobicContact CD1-CD2 3.84Å; L423-F445 HydrophobicContact CD1-CE2 3.41Å; L423-F445 VanDerWaalsContact CD1-CE2 3.41Å; L423-F445 HydrophobicContact CD1-CZ 4.25Å; F441-F445 AromaticContact CD1-CE2 3.85Å; F441-F445 HydrophobicContact CD1-CE2 3.85Å; F441-F445 AromaticContact CE1-CE2 3.42Å; F441-F445 HydrophobicContact CE1-CE2 3.42Å; F441-F445 VanDerWaalsContact CE1-CE2 3.42Å; F441-F445 AromaticContact CE1-CZ 3.86Å; F441-F445 HydrophobicContact CE1-CZ 3.86Å; F441-F445 AromaticContact CZ-CE2 3.94Å; F441-F445 HydrophobicContact CZ-CE2 3.94Å; F441-F445 HydrophobicContact CZ-CZ 4.05Å; F441-F445 WeakPolarHBondContact O-CD2 3.49Å; A442-F445 PolarHBondContact O-N 3.1Å; R443-F445 PolarHBondContact O-N 2.98Å; F445-V447 PolarHBondContact O-N 3.43Å; F445-A448 PolarHBondContact O-N 3.27Å; F445-I509 HydrophobicContact CE1-CD1 3.83Å; F445-I509 HydrophobicContact CE1-CG1 3.9Å; F445-I509 HydrophobicContact CZ-CD1 4.26Å; F445-I509 HydrophobicContact CZ-CG1 4.36Å; F445-I509 HydrophobicContact CZ-CG2 4.2Å
446E93.6Very high93.3Very high29 Ų2928.3 Ų28.314%0.13613%0.128CC..Hα-helixtrans-60.7-21176.5-61.4-179.4175.100112.5R443 A444 A448 V449 K450 Y468R443-E446 WeakPolarHBondContact O-CB 3.41Å; R443-E446 PolarHBondContact O-N 3.25Å; A444-E446 PolarHBondContact O-N 2.93Å; E446-A448 VanDerWaalsContact C-N 3.27Å; E446-A448 PolarHBondContact O-N 2.83Å; E446-V449 PolarHBondContact O-N 2.72Å; E446-K450 HydrophobicContact CB-CD 4.22Å; E446-K450 VanDerWaalsContact O-CG 3.28Å; E446-K450 WeakPolarHBondContact O-CG 3.15Å; E446-K450 PolarHBondContact O-N 2.96Å; E446-K450 VanDerWaalsContact OE2-CE 3.23Å; E446-K450 WeakPolarHBondContact OE2-CE 3.3Å; E446-K450 IonicContact OE2-NZ 3.45Å; E446-K450 PolarHBondContact OE2-NZ 3.19Å; E446-Y468 HydrophobicContact CG-CE2 4.31Å; E446-Y468 WeakPolarHBondContact CG-OH 3.13Å; E446-Y468 VanDerWaalsContact OE1-CE2 3.32Å; E446-Y468 WeakPolarHBondContact OE1-CE2 3.32Å; E446-Y468 PolarHBondContact OE1-OH 2.83Å
447V93.4Very high93Very high16 Ų1626.7 Ų26.710%0.09714%0.143CC..Hα-helixtrans-60.4-35.5-177.6173.40000112.2Q106 A110 A444 F445 V449 K450 V451Q106-V447 HydrophobicContact CB-CG1 4.07Å; A110-V447 HydrophobicContact CB-CB 3.86Å; A110-V447 HydrophobicContact CB-CG1 4.26Å; A110-V447 HydrophobicContact CB-CG2 3.36Å; A444-V447 WeakPolarHBondContact O-CB 3.32Å; A444-V447 WeakPolarHBondContact O-CG2 3.21Å; A444-V447 PolarHBondContact O-N 2.9Å; F445-V447 PolarHBondContact O-N 3.43Å; V447-V449 VanDerWaalsContact C-N 3.33Å; V447-V449 PolarHBondContact O-N 3.22Å; V447-K450 PolarHBondContact O-N 3.46Å; V447-V451 HydrophobicContact CG1-CG2 3.8Å; V447-V451 WeakPolarHBondContact O-CB 3.11Å; V447-V451 WeakPolarHBondContact O-CG2 3.29Å; V447-V451 PolarHBondContact O-N 3.46Å
448A91.2Very high92.8Very high12 Ų1230.8 Ų30.810%0.09916%0.162CC..Hα-helixtrans-57.5-47.1176.600000111.5F47 E416 F445 E446 L452F47-A448 HydrophobicContact CE1-CB 4.41Å; F47-A448 WeakPolarHBondContact CE1-O 3.38Å; E416-A448 HydrophobicContact CB-CB 4.28Å; E416-A448 HydrophobicContact CG-CB 3.81Å; F445-A448 PolarHBondContact O-N 3.27Å; E446-A448 VanDerWaalsContact C-N 3.27Å; E446-A448 PolarHBondContact O-N 2.83Å; A448-L452 VanDerWaalsContact O-CG 3.31Å; A448-L452 WeakPolarHBondContact O-CG 3.45Å; A448-L452 PolarHBondContact O-N 3.13Å; A448-L452 VanDerWaalsContact O-N 3.12Å
449V92.6Very high92.6Very high0 Ų036.8 Ų36.80%019%0.188CC..Hα-helixtrans-70.2-42.4178-179.30000111.9I417 E446 V447 V451 L452 A453 I463 V464 L467I417-V449 HydrophobicContact CD1-CB 4.33Å; I417-V449 HydrophobicContact CD1-CG2 3.84Å; I417-V449 HydrophobicContact CG1-CG2 3.64Å; E446-V449 PolarHBondContact O-N 2.72Å; V447-V449 VanDerWaalsContact C-N 3.33Å; V447-V449 PolarHBondContact O-N 3.22Å; V449-V451 VanDerWaalsContact C-N 3.26Å; V449-V451 PolarHBondContact O-N 3.43Å; V449-L452 PolarHBondContact O-N 3.32Å; V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.06Å; V449-I463 HydrophobicContact CG1-CG2 4.09Å; V449-V464 HydrophobicContact CG1-CG2 4.22Å; V449-L467 HydrophobicContact CG1-CD1 3.38Å; V449-L467 HydrophobicContact CG2-CD1 4.47Å
450K93.5Very high92.4Very high63 Ų6335.2 Ų35.227%0.27419%0.186SC..Hα-helixtrans-57.6-43.4178.7-70.4173.8178.7163.90110.9E446 V447 A453 E454 I460 V464E446-K450 HydrophobicContact CB-CD 4.22Å; E446-K450 VanDerWaalsContact O-CG 3.28Å; E446-K450 WeakPolarHBondContact O-CG 3.15Å; E446-K450 PolarHBondContact O-N 2.96Å; E446-K450 VanDerWaalsContact OE2-CE 3.23Å; E446-K450 WeakPolarHBondContact OE2-CE 3.3Å; E446-K450 IonicContact OE2-NZ 3.45Å; E446-K450 PolarHBondContact OE2-NZ 3.19Å; V447-K450 PolarHBondContact O-N 3.46Å; K450-A453 PolarHBondContact O-N 3.15Å; K450-E454 VanDerWaalsContact O-CB 3.29Å; K450-E454 WeakPolarHBondContact O-CB 3.44Å; K450-E454 PolarHBondContact O-N 2.91Å; K450-I460 HydrophobicContact CB-CG2 3.96Å; K450-I460 HydrophobicContact CD-CG2 4.45Å; K450-I460 HydrophobicContact CG-CG2 3.63Å; K450-V464 HydrophobicContact CG-CG2 4.12Å
451V92.7Very high92.2Very high1 Ų140.3 Ų40.31%0.00622%0.217CC..Hα-helixtrans-71.2-39.2-179.9179.10000111.7R44 F47 V447 V449 A453 E454 N455R44-V451 HydrophobicContact CG-CB 4.14Å; R44-V451 HydrophobicContact CG-CG1 3.46Å; R44-V451 VanDerWaalsContact CG-CG1 3.46Å; R44-V451 HydrophobicContact CG-CG2 3.53Å; R44-V451 VanDerWaalsContact O-CG1 3.25Å; R44-V451 WeakPolarHBondContact O-CG1 3.29Å; F47-V451 HydrophobicContact CB-CG1 3.71Å; F47-V451 HydrophobicContact CD1-CB 3.94Å; F47-V451 HydrophobicContact CD1-CG1 3.67Å; F47-V451 HydrophobicContact CG-CG1 4.12Å; V447-V451 HydrophobicContact CG1-CG2 3.8Å; V447-V451 WeakPolarHBondContact O-CB 3.11Å; V447-V451 WeakPolarHBondContact O-CG2 3.29Å; V447-V451 PolarHBondContact O-N 3.46Å; V449-V451 VanDerWaalsContact C-N 3.26Å; V449-V451 PolarHBondContact O-N 3.43Å; V451-A453 VanDerWaalsContact C-N 3.34Å; V451-A453 PolarHBondContact O-N 3.49Å; V451-E454 PolarHBondContact O-N 3.08Å; V451-N455 WeakPolarHBondContact O-CB 3.47Å; V451-N455 VanDerWaalsContact O-CG 3.31Å; V451-N455 PolarHBondContact O-N 3.26Å
452L90.9Very high92.1Very high24 Ų2445.5 Ų45.513%0.12624%0.242CC..Hα-helixtrans-62.3-41.3173.2-69.9170.1000112.1F47 A448 V449 S456 L480F47-L452 HydrophobicContact CD1-CD2 3.95Å; F47-L452 HydrophobicContact CD1-CG 4.03Å; F47-L452 HydrophobicContact CE1-CD1 4.22Å; F47-L452 HydrophobicContact CE1-CD2 3.84Å; F47-L452 HydrophobicContact CE1-CG 3.66Å; A448-L452 VanDerWaalsContact O-CG 3.31Å; A448-L452 WeakPolarHBondContact O-CG 3.45Å; A448-L452 PolarHBondContact O-N 3.13Å; A448-L452 VanDerWaalsContact O-N 3.12Å; V449-L452 PolarHBondContact O-N 3.32Å; L452-S456 WeakPolarHBondContact O-CB 3.22Å; L452-S456 PolarHBondContact O-N 3.13Å; L452-S456 VanDerWaalsContact O-N 3.09Å; L452-S456 PolarHBondContact O-OG 2.82Å; L452-L480 HydrophobicContact CB-CD2 3.93Å
453A91.9Very high91.9Very high0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-65.9-42.1175.400000111.8V449 K450 V451 S456 G457 Q458 I460 I463 L480V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.06Å; K450-A453 PolarHBondContact O-N 3.15Å; V451-A453 VanDerWaalsContact C-N 3.34Å; V451-A453 PolarHBondContact O-N 3.49Å; A453-S456 WeakPolarHBondContact CA-OG 3.3Å; A453-S456 PolarHBondContact O-N 3.31Å; A453-S456 PolarHBondContact O-OG 3.04Å; A453-S456 VanDerWaalsContact O-OG 3.04Å; A453-G457 PolarHBondContact O-N 3.4Å; A453-Q458 PolarHBondContact O-N 3.22Å; A453-I460 HydrophobicContact CB-CG1 4.25Å; A453-I463 HydrophobicContact CB-CD1 3.76Å; A453-L480 HydrophobicContact CB-CD2 4.03Å
454E91.6Very high91.8Very high92 Ų9242.7 Ų42.743%0.4323%0.234SC..Hα-helixtrans-62.4-48.2177.6-171.1174-171.400111.3R44 K450 V451 S456 G457 I460R44-E454 WeakPolarHBondContact CD-OE2 3.36Å; R44-E454 IonicContact NH1-OE2 2.87Å; K450-E454 VanDerWaalsContact O-CB 3.29Å; K450-E454 WeakPolarHBondContact O-CB 3.44Å; K450-E454 PolarHBondContact O-N 2.91Å; V451-E454 PolarHBondContact O-N 3.08Å; E454-S456 VanDerWaalsContact C-N 3.3Å; E454-S456 PolarHBondContact O-N 3.48Å; E454-G457 PolarHBondContact O-N 2.82Å; E454-G457 VanDerWaalsContact O-N 3.11Å; E454-I460 HydrophobicContact CB-CD1 4.08Å; E454-I460 HydrophobicContact CB-CG1 4.43Å; E454-I460 HydrophobicContact CG-CD1 4.4Å
455N90.7Very high91.7Very high35 Ų3545.5 Ų45.519%0.18726%0.257CS..Hα-helixtrans-70.7-25.4-178.8-68.1-14.8000113R44 F47 V451 G457R44-N455 PolarHBondContact O-ND2 3.18Å; F47-N455 PolarHBondContact O-ND2 2.87Å; V451-N455 WeakPolarHBondContact O-CB 3.47Å; V451-N455 VanDerWaalsContact O-CG 3.31Å; V451-N455 PolarHBondContact O-N 3.26Å; N455-G457 VanDerWaalsContact C-N 3.31Å
456S87.5Confident91.6Very high27 Ų2748.3 Ų48.319%0.18928%0.275CS..THydrogen-bonded Turntrans-84-1.717353.30000114.2L452 A453 E454 Q458L452-S456 WeakPolarHBondContact O-CB 3.22Å; L452-S456 PolarHBondContact O-N 3.13Å; L452-S456 VanDerWaalsContact O-N 3.09Å; L452-S456 PolarHBondContact O-OG 2.82Å; A453-S456 WeakPolarHBondContact CA-OG 3.3Å; A453-S456 PolarHBondContact O-N 3.31Å; A453-S456 PolarHBondContact O-OG 3.04Å; A453-S456 VanDerWaalsContact O-OG 3.04Å; E454-S456 VanDerWaalsContact C-N 3.3Å; E454-S456 PolarHBondContact O-N 3.48Å; S456-Q458 PolarHBondContact O-N 2.94Å
457G88.8Confident91.5Very high71 Ų7147 Ų4773%0.73227%0.268SS*.THydrogen-bonded Turntrans72.615.2-178.900000114.1A453 E454 N455A453-G457 PolarHBondContact O-N 3.4Å; E454-G457 PolarHBondContact O-N 2.82Å; E454-G457 VanDerWaalsContact O-N 3.11Å; N455-G457 VanDerWaalsContact C-N 3.31Å
458Q88.5Confident91.4Very high87 Ų8747.8 Ų47.841%0.40727%0.27SS..  trans-89.3157.5179.5-63.7-70.9-13.800111.6A453 S456 I460 I463 V488A453-Q458 PolarHBondContact O-N 3.22Å; S456-Q458 PolarHBondContact O-N 2.94Å; Q458-I460 PolarHBondContact O-N 3.07Å; Q458-I463 HydrophobicContact CB-CD1 3.2Å; Q458-I463 HydrophobicContact CB-CG1 4.45Å; Q458-I463 HydrophobicContact CG-CD1 3.9Å; Q458-V488 HydrophobicContact CG-CB 4.25Å; Q458-V488 HydrophobicContact CG-CG1 4.35Å
459K91.4Very high91.5Very high127 Ų12750 Ų5055%0.55229%0.288SS*.  trans-72.9112.8177.3-68.8178.3-175.2175.50110.9T461 E462 I463K459-T461 VanDerWaalsContact C-N 3.35Å; K459-T461 PolarHBondContact O-N 2.87Å; K459-E462 HydrophobicContact CB-CB 4.29Å; K459-E462 HydrophobicContact CB-CG 4.27Å; K459-E462 VanDerWaalsContact CD-CD 3.41Å; K459-E462 HydrophobicContact CD-CG 4.32Å; K459-E462 WeakPolarHBondContact CD-OE1 3.36Å; K459-E462 IonicContact NZ-OE1 2.72Å; K459-E462 PolarHBondContact NZ-OE1 2.94Å; K459-E462 PolarHBondContact O-N 2.9Å; K459-I463 PolarHBondContact O-N 2.92Å
460I92Very high91.5Very high55 Ų5552.8 Ų52.828%0.28230%0.3SS..Hα-helixtrans-54.4-47.6-177.1-59.9168.7000112.1K450 A453 E454 Q458 I463 V464K450-I460 HydrophobicContact CB-CG2 3.96Å; K450-I460 HydrophobicContact CD-CG2 4.45Å; K450-I460 HydrophobicContact CG-CG2 3.63Å; A453-I460 HydrophobicContact CB-CG1 4.25Å; E454-I460 HydrophobicContact CB-CD1 4.08Å; E454-I460 HydrophobicContact CB-CG1 4.43Å; E454-I460 HydrophobicContact CG-CD1 4.4Å; Q458-I460 PolarHBondContact O-N 3.07Å; I460-I463 PolarHBondContact O-N 2.87Å; I460-V464 HydrophobicContact CG2-CG2 4.34Å; I460-V464 WeakPolarHBondContact O-CB 3.49Å; I460-V464 VanDerWaalsContact O-CG2 3.29Å; I460-V464 WeakPolarHBondContact O-CG2 3.48Å; I460-V464 PolarHBondContact O-N 3.18Å
461T91.6Very high91.5Very high111 Ų11149.8 Ų49.868%0.68129%0.287SS*.Hα-helixtrans-65.5-42-174.248.60000112.7K459 A465K459-T461 VanDerWaalsContact C-N 3.35Å; K459-T461 PolarHBondContact O-N 2.87Å; T461-A465 WeakPolarHBondContact O-CB 3.41Å; T461-A465 PolarHBondContact O-N 2.8Å
462E92.3Very high91.4Very high109 Ų10956.3 Ų56.351%0.50932%0.318SS..Hα-helixtrans-67-45.9179.2-67.4176.7-166.200110.6K459 A465 V466K459-E462 HydrophobicContact CB-CB 4.29Å; K459-E462 HydrophobicContact CB-CG 4.27Å; K459-E462 VanDerWaalsContact CD-CD 3.41Å; K459-E462 HydrophobicContact CD-CG 4.32Å; K459-E462 WeakPolarHBondContact CD-OE1 3.36Å; K459-E462 IonicContact NZ-OE1 2.72Å; K459-E462 PolarHBondContact NZ-OE1 2.94Å; K459-E462 PolarHBondContact O-N 2.9Å; E462-A465 PolarHBondContact O-N 3.5Å; E462-V466 WeakPolarHBondContact O-CB 3.41Å; E462-V466 VanDerWaalsContact O-CG2 3.24Å; E462-V466 WeakPolarHBondContact O-CG2 3.31Å; E462-V466 PolarHBondContact O-N 3.25Å
463I91.3Very high91.4Very high15 Ų1559 Ų598%0.07734%0.338CS..Hα-helixtrans-63-48.6-180-75.3169.8000111.9V449 A453 Q458 K459 I460 A465 V466 L467 L480 V490V449-I463 HydrophobicContact CG1-CG2 4.09Å; A453-I463 HydrophobicContact CB-CD1 3.76Å; Q458-I463 HydrophobicContact CB-CD1 3.2Å; Q458-I463 HydrophobicContact CB-CG1 4.45Å; Q458-I463 HydrophobicContact CG-CD1 3.9Å; K459-I463 PolarHBondContact O-N 2.92Å; I460-I463 PolarHBondContact O-N 2.87Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 2.96Å; I463-V466 PolarHBondContact O-N 2.83Å; I463-L467 HydrophobicContact CG2-CD1 3.59Å; I463-L467 HydrophobicContact CG2-CG 4.28Å; I463-L467 WeakPolarHBondContact O-CB 3.49Å; I463-L467 WeakPolarHBondContact O-CG 3.29Å; I463-L467 PolarHBondContact O-N 3.04Å; I463-L480 HydrophobicContact CD1-CD1 3.71Å; I463-L480 HydrophobicContact CD1-CD2 4.2Å; I463-L480 HydrophobicContact CG1-CD1 4.22Å; I463-L480 HydrophobicContact CG2-CD1 3.89Å; I463-L480 HydrophobicContact CG2-CD2 4.38Å; I463-V490 HydrophobicContact CG2-CG2 4.45Å
464V92Very high91.2Very high16 Ų1661.4 Ų61.410%0.09736%0.363CS..Hα-helixtrans-62.1-43.1-178172.80000110V449 K450 I460 L467 Y468V449-V464 HydrophobicContact CG1-CG2 4.22Å; K450-V464 HydrophobicContact CG-CG2 4.12Å; I460-V464 HydrophobicContact CG2-CG2 4.34Å; I460-V464 WeakPolarHBondContact O-CB 3.49Å; I460-V464 VanDerWaalsContact O-CG2 3.29Å; I460-V464 WeakPolarHBondContact O-CG2 3.48Å; I460-V464 PolarHBondContact O-N 3.18Å; V464-L467 PolarHBondContact O-N 3.03Å; V464-Y468 HydrophobicContact CG1-CD2 3.7Å; V464-Y468 HydrophobicContact CG1-CE2 3.65Å; V464-Y468 VanDerWaalsContact O-CD2 3.28Å; V464-Y468 WeakPolarHBondContact O-CD2 3.38Å; V464-Y468 PolarHBondContact O-N 3.39Å
465A92.5Very high91.1Very high60 Ų6061.8 Ų61.850%0.49637%0.365SS..Hα-helixtrans-62.4-44.7176.800000112.6T461 E462 I463 Y468 A469T461-A465 WeakPolarHBondContact O-CB 3.41Å; T461-A465 PolarHBondContact O-N 2.8Å; E462-A465 PolarHBondContact O-N 3.5Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 2.96Å; A465-Y468 PolarHBondContact O-N 3.02Å; A465-A469 PolarHBondContact O-N 3.01Å
466V92.7Very high91Very high65 Ų6562.5 Ų62.539%0.39437%0.368SS..Hα-helixtrans-64.1-41177.6171.60000111.3E462 I463 A469 K470 V490E462-V466 WeakPolarHBondContact O-CB 3.41Å; E462-V466 VanDerWaalsContact O-CG2 3.24Å; E462-V466 WeakPolarHBondContact O-CG2 3.31Å; E462-V466 PolarHBondContact O-N 3.25Å; I463-V466 PolarHBondContact O-N 2.83Å; V466-A469 PolarHBondContact O-N 3.19Å; V466-K470 HydrophobicContact CG1-CD 4.3Å; V466-K470 WeakPolarHBondContact O-CG 3.36Å; V466-K470 PolarHBondContact O-N 2.95Å; V466-V490 HydrophobicContact CG1-CB 4.44Å; V466-V490 HydrophobicContact CG1-CG1 4.22Å; V466-V490 HydrophobicContact CG1-CG2 4.45Å
467L91.9Very high91Very high0 Ų064.3 Ų64.30%037%0.374CS..Hα-helixtrans-62.9-47.8177.3-78.2167.4000111.1I417 V449 I463 V464 A469 K470 H471 T478 V490I417-L467 HydrophobicContact CG1-CB 4.42Å; I417-L467 HydrophobicContact CG1-CD1 4.44Å; V449-L467 HydrophobicContact CG1-CD1 3.38Å; V449-L467 HydrophobicContact CG2-CD1 4.47Å; I463-L467 HydrophobicContact CG2-CD1 3.59Å; I463-L467 HydrophobicContact CG2-CG 4.28Å; I463-L467 WeakPolarHBondContact O-CB 3.49Å; I463-L467 WeakPolarHBondContact O-CG 3.29Å; I463-L467 PolarHBondContact O-N 3.04Å; V464-L467 PolarHBondContact O-N 3.03Å; L467-A469 PolarHBondContact O-N 2.89Å; L467-K470 PolarHBondContact O-N 3.12Å; L467-H471 PolarHBondContact O-N 2.82Å; L467-H471 PolarHBondContact O-ND1 2.79Å; L467-T478 HydrophobicContact CD2-CG2 4.42Å; L467-T478 WeakPolarHBondContact CD2-O 3.4Å; L467-V490 HydrophobicContact CD2-CG1 3.48Å; L467-V490 VanDerWaalsContact CD2-CG1 3.48Å; L467-V490 HydrophobicContact CG-CG1 4.04Å; L467-V490 HydrophobicContact CG-CG2 4.47Å
468Y92.6Very high91.1Very high34 Ų3461.1 Ų61.113%0.13334%0.34CS..Hα-helixtrans-58.5-46.7176.2-87.5-70000112.1I417 A420 R421 E446 V464 A465 K470 H471 E472I417-Y468 HydrophobicContact CD1-CE2 4.18Å; I417-Y468 HydrophobicContact CG2-CD1 4.12Å; I417-Y468 HydrophobicContact CG2-CE1 4.16Å; I417-Y468 HydrophobicContact CG2-CG 4.42Å; A420-Y468 WeakPolarHBondContact CB-OH 3.19Å; R421-Y468 HydrophobicContact CB-CE1 4.36Å; E446-Y468 HydrophobicContact CG-CE2 4.31Å; E446-Y468 WeakPolarHBondContact CG-OH 3.13Å; E446-Y468 VanDerWaalsContact OE1-CE2 3.32Å; E446-Y468 WeakPolarHBondContact OE1-CE2 3.32Å; E446-Y468 PolarHBondContact OE1-OH 2.83Å; V464-Y468 HydrophobicContact CG1-CD2 3.7Å; V464-Y468 HydrophobicContact CG1-CE2 3.65Å; V464-Y468 VanDerWaalsContact O-CD2 3.28Å; V464-Y468 WeakPolarHBondContact O-CD2 3.38Å; V464-Y468 PolarHBondContact O-N 3.39Å; A465-Y468 PolarHBondContact O-N 3.02Å; Y468-K470 VanDerWaalsContact C-N 3.3Å; Y468-K470 PolarHBondContact O-N 2.92Å; Y468-H471 PolarHBondContact O-N 3.29Å; Y468-E472 WeakPolarHBondContact O-CB 3.45Å; Y468-E472 WeakPolarHBondContact O-CG 3.18Å; Y468-E472 PolarHBondContact O-N 2.57Å
469A93.3Very high91.1Very high58 Ų5857 Ų5748%0.47932%0.32SS..Hα-helixtrans-59.2-40.1177.900000112.5A465 V466 L467 S473A465-A469 PolarHBondContact O-N 3.01Å; V466-A469 PolarHBondContact O-N 3.19Å; L467-A469 PolarHBondContact O-N 2.89Å; A469-S473 PolarHBondContact O-N 3.27Å
470K92.2Very high90.9Very high59 Ų5951.3 Ų51.326%0.25730%0.296SS..Hα-helixtrans-68.9-40.5176-72.3-174.3-178.4-169.90112.6V466 L467 Y468 S473 G474 Q475 T478 V490V466-K470 HydrophobicContact CG1-CD 4.3Å; V466-K470 WeakPolarHBondContact O-CG 3.36Å; V466-K470 PolarHBondContact O-N 2.95Å; L467-K470 PolarHBondContact O-N 3.12Å; Y468-K470 VanDerWaalsContact C-N 3.3Å; Y468-K470 PolarHBondContact O-N 2.92Å; K470-S473 PolarHBondContact O-N 2.86Å; K470-S473 PolarHBondContact O-OG 3.45Å; K470-G474 PolarHBondContact O-N 3.38Å; K470-Q475 WeakPolarHBondContact O-CB 3.32Å; K470-Q475 PolarHBondContact O-N 3.34Å; K470-Q475 VanDerWaalsContact O-N 3.08Å; K470-T478 HydrophobicContact CD-CG2 3.72Å; K470-V490 HydrophobicContact CD-CG1 3.84Å; K470-V490 PolarHBondContact NZ-O 3.08Å
471H92.2Very high90.6Very high0 Ų048.9 Ų48.90%028%0.284CS..Hα-helixtrans-67.4-36.4176.1-74.178.1000112A414 I417 E418 L467 Y468 S473 G474 I476 T478A414-H471 PolarHBondContact O-NE2 2.84Å; I417-H471 HydrophobicContact CG2-CB 4.35Å; E418-H471 IonicContact OE2-CD2 3.67Å; L467-H471 PolarHBondContact O-N 2.82Å; L467-H471 PolarHBondContact O-ND1 2.79Å; Y468-H471 PolarHBondContact O-N 3.29Å; H471-S473 VanDerWaalsContact C-N 3.31Å; H471-S473 PolarHBondContact O-N 2.85Å; H471-G474 PolarHBondContact O-N 2.8Å; H471-G474 VanDerWaalsContact O-N 3.08Å; H471-I476 PolarHBondContact NE2-O 3.23Å; H471-T478 PolarHBondContact CE1-O 2.85Å
472E91.3Very high90.1Very high138 Ų13844.5 Ų44.565%0.64526%0.257SS*.Hα-helixtrans-62.7-37.3171.5-75.6-179.9-179.500112.1Y468 G474Y468-E472 WeakPolarHBondContact O-CB 3.45Å; Y468-E472 WeakPolarHBondContact O-CG 3.18Å; Y468-E472 PolarHBondContact O-N 2.57Å; E472-G474 PolarHBondContact O-N 2.84Å; E472-G474 VanDerWaalsContact O-N 3.13Å
473S91.4Very high89.3Confident79 Ų7941.6 Ų41.655%0.55224%0.243SC*.THydrogen-bonded Turntrans-69.5-0.8173.377.80000114.7A469 K470 H471A469-S473 PolarHBondContact O-N 3.27Å; K470-S473 PolarHBondContact O-N 2.86Å; K470-S473 PolarHBondContact O-OG 3.45Å; H471-S473 VanDerWaalsContact C-N 3.31Å; H471-S473 PolarHBondContact O-N 2.85Å
474G88.1Confident88.2Confident51 Ų5146.2 Ų46.253%0.52627%0.274SS..THydrogen-bonded Turntrans94.23.8178.400000115.1K470 H471 E472 I476K470-G474 PolarHBondContact O-N 3.38Å; H471-G474 PolarHBondContact O-N 2.8Å; H471-G474 VanDerWaalsContact O-N 3.08Å; E472-G474 PolarHBondContact O-N 2.84Å; E472-G474 VanDerWaalsContact O-N 3.13Å; G474-I476 VanDerWaalsContact C-N 3.31Å; G474-I476 PolarHBondContact O-N 3.2Å
475Q88.3Confident87.1Confident101 Ų10150 Ų5047%0.47229%0.294SS..  trans-86.468.8178.9-58179.411.100111.4K470 H477 T478K470-Q475 WeakPolarHBondContact O-CB 3.32Å; K470-Q475 PolarHBondContact O-N 3.34Å; K470-Q475 VanDerWaalsContact O-N 3.08Å; Q475-H477 PolarHBondContact O-N 3.33Å; Q475-H477 VanDerWaalsContact O-N 3.14Å; Q475-T478 VanDerWaalsContact CB-OG1 3.24Å; Q475-T478 WeakPolarHBondContact CB-OG1 3.45Å; Q475-T478 PolarHBondContact O-N 3.03Å; Q475-T478 PolarHBondContact O-OG1 3.16Å
476I88.6Confident86Confident49 Ų4949.6 Ų49.625%0.25130%0.296SS..THydrogen-bonded Turntrans-60.7-24.5-172.5-59.1166000113.3L146 E418 H471 G474 T478L146-I476 HydrophobicContact CD2-CG2 4.05Å; E418-I476 HydrophobicContact CB-CG2 4.14Å; E418-I476 HydrophobicContact CG-CG2 3.66Å; H471-I476 PolarHBondContact NE2-O 3.23Å; G474-I476 VanDerWaalsContact C-N 3.31Å; G474-I476 PolarHBondContact O-N 3.2Å; I476-T478 VanDerWaalsContact C-N 3.35Å
477H89Confident85.2Confident66 Ų6652.3 Ų52.331%0.30630%0.304SS..THydrogen-bonded Turntrans-90.94-176.3-57-42.5000114A410 Q475 G479 D492 S493 V494A410-H477 HydrophobicContact CB-CB 4.4Å; Q475-H477 PolarHBondContact O-N 3.33Å; Q475-H477 VanDerWaalsContact O-N 3.14Å; H477-G479 PolarHBondContact O-N 2.82Å; H477-D492 WeakPolarHBondContact CB-OD1 3.38Å; H477-S493 WeakPolarHBondContact O-CB 3.31Å; H477-S493 PolarHBondContact O-N 2.81Å; H477-S493 PolarHBondContact O-OG 3.08Å; H477-V494 HydrophobicContact CB-CG2 3.81Å
478T89.3Confident84.6Confident3 Ų353.4 Ų53.42%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-78.6118.7-176.1-45.30000110.9A414 L467 K470 H471 Q475 I476 V490 N491A414-T478 WeakPolarHBondContact CB-O 3.5Å; L467-T478 HydrophobicContact CD2-CG2 4.42Å; L467-T478 WeakPolarHBondContact CD2-O 3.4Å; K470-T478 HydrophobicContact CD-CG2 3.72Å; H471-T478 PolarHBondContact CE1-O 2.85Å; Q475-T478 VanDerWaalsContact CB-OG1 3.24Å; Q475-T478 WeakPolarHBondContact CB-OG1 3.45Å; Q475-T478 PolarHBondContact O-N 3.03Å; Q475-T478 PolarHBondContact O-OG1 3.16Å; I476-T478 VanDerWaalsContact C-N 3.35Å; T478-V490 HydrophobicContact CG2-CG1 3.58Å; T478-N491 CarbonylContact C-O 3.57Å; T478-N491 WeakPolarHBondContact CA-O 3.36Å; T478-N491 WeakPolarHBondContact CG2-O 3.36Å
479G88.7Confident84.2Confident0 Ų053.1 Ų53.10%031%0.314CS..EExtended strand (participates in β ladder)trans-121.7-178.6176.500000113A412 H477 V481 V490 N491 S493A412-G479 WeakPolarHBondContact O-CA 3.49Å; H477-G479 PolarHBondContact O-N 2.82Å; G479-V481 PolarHBondContact O-N 2.96Å; G479-V490 WeakPolarHBondContact O-CA 3.41Å; G479-N491 PolarHBondContact N-O 3.15Å; G479-N491 PolarHBondContact O-N 3.16Å; G479-N491 VanDerWaalsContact O-O 3.11Å; G479-S493 PolarHBondContact N-OG 3.29Å
480L88.1Confident83.8Confident8 Ų851.4 Ų51.44%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-88.986.4171.2-171.368.8000109.4A412 L452 A453 I463 V488 V490A412-L480 WeakPolarHBondContact CB-O 3.49Å; A412-L480 PolarHBondContact O-N 2.83Å; L452-L480 HydrophobicContact CB-CD2 3.93Å; A453-L480 HydrophobicContact CB-CD2 4.03Å; I463-L480 HydrophobicContact CD1-CD1 3.71Å; I463-L480 HydrophobicContact CD1-CD2 4.2Å; I463-L480 HydrophobicContact CG1-CD1 4.22Å; I463-L480 HydrophobicContact CG2-CD1 3.89Å; I463-L480 HydrophobicContact CG2-CD2 4.38Å; L480-V488 HydrophobicContact CD1-CG1 3.32Å; L480-V488 HydrophobicContact CD2-CG1 3.97Å; L480-V488 HydrophobicContact CG-CG1 3.43Å; L480-V488 VanDerWaalsContact CG-CG1 3.43Å; L480-V490 HydrophobicContact CD1-CG2 4.05Å
481V84.5Confident83.5Confident4 Ų451.1 Ų51.12%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-87.4122.8-174.7-178.40000110.1A412 G479 S489 N491 F496 V498A412-V481 HydrophobicContact CB-CG2 4.24Å; G479-V481 PolarHBondContact O-N 2.96Å; V481-S489 PolarHBondContact N-O 2.93Å; V481-S489 PolarHBondContact O-N 3.24Å; V481-N491 HydrophobicContact CG2-CB 4.5Å; V481-F496 HydrophobicContact CG1-CB 3.88Å; V481-F496 HydrophobicContact CG1-CD1 4.32Å; V481-F496 HydrophobicContact CG1-CD2 4.24Å; V481-F496 HydrophobicContact CG1-CG 3.89Å; V481-V498 HydrophobicContact CG1-CG2 4.24Å
482T81.2Confident83.3Confident19 Ų1953.1 Ų53.112%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-82.7115.5167.1-53.20000108.8P49 M169 V488P49-T482 HydrophobicContact CG-CG2 4.37Å; M169-T482 WeakPolarHBondContact CE-O 3.37Å; T482-V488 HydrophobicContact CG2-CG2 4.03Å
483Q75.7Confident83Confident48 Ų4846.5 Ų46.522%0.22428%0.278CS..  trans-73.2159.9174.3-68.7-176.528.500110.9N485 G486 E487 S489 F496Q483-N485 WeakPolarHBondContact CB-OD1 3.43Å; Q483-N485 PolarHBondContact O-N 3.46Å; Q483-G486 PolarHBondContact O-N 2.73Å; Q483-E487 WeakPolarHBondContact CB-O 3.14Å; Q483-E487 PolarHBondContact N-O 2.9Å; Q483-S489 PolarHBondContact NE2-OG 3.08Å; Q483-F496 HydrophobicContact CG-CE1 4.35Å
484P68.3Low82.8Confident112 Ų11245 Ų4573%0.72727%0.265SS*.THydrogen-bonded Turntrans-60.1-26.1179-23.233.3000114.3G486P484-G486 PolarHBondContact O-N 2.92Å
485N68.7Low82.7Confident96 Ų9650.4 Ų50.451%0.51328%0.275SS..THydrogen-bonded Turntrans-74.3-2.8174.564.3-6.3000113.2Q483 E487Q483-N485 WeakPolarHBondContact CB-OD1 3.43Å; Q483-N485 PolarHBondContact O-N 3.46Å; N485-E487 VanDerWaalsContact C-N 3.32Å; N485-E487 WeakPolarHBondContact ND2-CG 3.32Å; N485-E487 PolarHBondContact ND2-OE2 2.88Å; N485-E487 WeakPolarHBondContact OD1-CB 3.31Å; N485-E487 PolarHBondContact OD1-N 3.38Å
486G69.8Low82.5Confident51 Ų5149.9 Ų49.953%0.52627%0.271SS..SBendtrans86.2-3.3-17600000114.1Q483 P484 V488Q483-G486 PolarHBondContact O-N 2.73Å; P484-G486 PolarHBondContact O-N 2.92Å; G486-V488 PolarHBondContact O-N 3.12Å
487E76.3Confident82.3Confident122 Ų12251.9 Ų51.957%0.5728%0.279SS*.  trans-75.4128.5176.8-67.1179.5170.300110.3Q483 N485Q483-E487 WeakPolarHBondContact CB-O 3.14Å; Q483-E487 PolarHBondContact N-O 2.9Å; N485-E487 VanDerWaalsContact C-N 3.32Å; N485-E487 WeakPolarHBondContact ND2-CG 3.32Å; N485-E487 PolarHBondContact ND2-OE2 2.88Å; N485-E487 WeakPolarHBondContact OD1-CB 3.31Å; N485-E487 PolarHBondContact OD1-N 3.38Å
488V78.6Confident82.3Confident23 Ų2350 Ų5014%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-99126.6178.71800000109Q458 L480 T482 G486Q458-V488 HydrophobicContact CG-CB 4.25Å; Q458-V488 HydrophobicContact CG-CG1 4.35Å; L480-V488 HydrophobicContact CD1-CG1 3.32Å; L480-V488 HydrophobicContact CD2-CG1 3.97Å; L480-V488 HydrophobicContact CG-CG1 3.43Å; L480-V488 VanDerWaalsContact CG-CG1 3.43Å; T482-V488 HydrophobicContact CG2-CG2 4.03Å; G486-V488 PolarHBondContact O-N 3.12Å
489S83.7Confident82.3Confident28 Ų2850 Ų5020%0.19627%0.272CS..EExtended strand (participates in β ladder)trans-139.8143.7-176.354.40000111.1V481 Q483 N491V481-S489 PolarHBondContact N-O 2.93Å; V481-S489 PolarHBondContact O-N 3.24Å; Q483-S489 PolarHBondContact NE2-OG 3.08Å; S489-N491 PolarHBondContact O-N 3.32Å; S489-N491 PolarHBondContact OG-ND2 3.37Å
490V85.8Confident82.4Confident22 Ų2251.9 Ų51.913%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-81.198.7176.3179.60000108.8I463 V466 L467 K470 T478 G479 L480I463-V490 HydrophobicContact CG2-CG2 4.45Å; V466-V490 HydrophobicContact CG1-CB 4.44Å; V466-V490 HydrophobicContact CG1-CG1 4.22Å; V466-V490 HydrophobicContact CG1-CG2 4.45Å; L467-V490 HydrophobicContact CD2-CG1 3.48Å; L467-V490 VanDerWaalsContact CD2-CG1 3.48Å; L467-V490 HydrophobicContact CG-CG1 4.04Å; L467-V490 HydrophobicContact CG-CG2 4.47Å; K470-V490 HydrophobicContact CD-CG1 3.84Å; K470-V490 PolarHBondContact NZ-O 3.08Å; T478-V490 HydrophobicContact CG2-CG1 3.58Å; G479-V490 WeakPolarHBondContact O-CA 3.41Å; L480-V490 HydrophobicContact CD1-CG2 4.05Å
491N86.5Confident82.6Confident54 Ų5451.8 Ų51.829%0.28928%0.282SS..EExtended strand (participates in β ladder)trans-139.4166.1-171-83.5-26.7000111.6T478 G479 V481 S489 S493 F496T478-N491 CarbonylContact C-O 3.57Å; T478-N491 WeakPolarHBondContact CA-O 3.36Å; T478-N491 WeakPolarHBondContact CG2-O 3.36Å; G479-N491 PolarHBondContact N-O 3.15Å; G479-N491 PolarHBondContact O-N 3.16Å; G479-N491 VanDerWaalsContact O-O 3.11Å; V481-N491 HydrophobicContact CG2-CB 4.5Å; S489-N491 PolarHBondContact O-N 3.32Å; S489-N491 PolarHBondContact OG-ND2 3.37Å; N491-S493 PolarHBondContact O-N 2.77Å; N491-F496 HydrophobicContact CB-CD2 4.04Å; N491-F496 HydrophobicContact CB-CE2 3.59Å
492D88.2Confident83Confident41 Ų4152.1 Ų52.122%0.21928%0.283CS..EExtended strand (participates in β ladder)trans-67.9111.1177.7-173.7-12.5000110.8H477 V494 K495 F496H477-D492 WeakPolarHBondContact CB-OD1 3.38Å; D492-V494 PolarHBondContact O-N 2.93Å; D492-V494 PolarHBondContact OD1-N 3.15Å; D492-V494 VanDerWaalsContact OD1-N 3.13Å; D492-K495 HydrophobicContact CB-CB 4.34Å; D492-K495 HydrophobicContact CB-CD 3.96Å; D492-K495 HydrophobicContact CB-CG 4.05Å; D492-K495 PolarHBondContact O-N 2.86Å; D492-K495 VanDerWaalsContact OD2-CE 3.26Å; D492-K495 WeakPolarHBondContact OD2-CE 3.28Å; D492-K495 IonicContact OD2-NZ 3.69Å; D492-F496 WeakPolarHBondContact O-CD2 3.16Å; D492-F496 PolarHBondContact O-N 3.22Å
493S84.2Confident83.5Confident0 Ų052.7 Ų52.70%029%0.285CS..THydrogen-bonded Turntrans-59.8-32.5-176.9-59.10000112.1G411 H477 G479 N491 F496 E497 V498G411-S493 PolarHBondContact O-OG 2.72Å; H477-S493 WeakPolarHBondContact O-CB 3.31Å; H477-S493 PolarHBondContact O-N 2.81Å; H477-S493 PolarHBondContact O-OG 3.08Å; G479-S493 PolarHBondContact N-OG 3.29Å; N491-S493 PolarHBondContact O-N 2.77Å; S493-F496 CarbonylContact O-C 3.57Å; S493-F496 PolarHBondContact O-N 3.19Å; S493-E497 PolarHBondContact O-N 2.94Å; S493-E497 VanDerWaalsContact O-N 3.17Å; S493-V498 PolarHBondContact O-N 3.47Å
494V86.8Confident84.4Confident46 Ų4651 Ų5128%0.27928%0.277SS..THydrogen-bonded Turntrans-69.3-38.3-177.8178.70000110.7V148 A410 H477 D492 F496 E497 L499V148-V494 HydrophobicContact CG1-CG1 4.3Å; V148-V494 HydrophobicContact CG1-CG2 3.92Å; V148-V494 HydrophobicContact CG2-CG2 4.38Å; A410-V494 HydrophobicContact CB-CG2 4.38Å; H477-V494 HydrophobicContact CB-CG2 3.81Å; D492-V494 PolarHBondContact O-N 2.93Å; D492-V494 PolarHBondContact OD1-N 3.15Å; D492-V494 VanDerWaalsContact OD1-N 3.13Å; V494-F496 VanDerWaalsContact C-N 3.29Å; V494-F496 PolarHBondContact O-N 3.48Å; V494-E497 PolarHBondContact O-N 2.85Å; V494-E497 VanDerWaalsContact O-N 3.08Å; V494-L499 HydrophobicContact CG2-CD2 4.08Å
495K86.5Confident85.6Confident166 Ų16646.2 Ų46.272%0.72225%0.245SC*.THydrogen-bonded Turntrans-66.7-31.7177.3-67-178.3-173.4169.30112.8D492 E497D492-K495 HydrophobicContact CB-CB 4.34Å; D492-K495 HydrophobicContact CB-CD 3.96Å; D492-K495 HydrophobicContact CB-CG 4.05Å; D492-K495 PolarHBondContact O-N 2.86Å; D492-K495 VanDerWaalsContact OD2-CE 3.26Å; D492-K495 WeakPolarHBondContact OD2-CE 3.28Å; D492-K495 IonicContact OD2-NZ 3.69Å; K495-E497 VanDerWaalsContact C-N 3.28Å
496F83.9Confident86.8Confident90 Ų9043.6 Ų43.640%0.39523%0.23SC..THydrogen-bonded Turntrans-88.46.1175.1-74.7-83.8000113.1V481 Q483 N491 D492 S493 V494 V498V481-F496 HydrophobicContact CG1-CB 3.88Å; V481-F496 HydrophobicContact CG1-CD1 4.32Å; V481-F496 HydrophobicContact CG1-CD2 4.24Å; V481-F496 HydrophobicContact CG1-CG 3.89Å; Q483-F496 HydrophobicContact CG-CE1 4.35Å; N491-F496 HydrophobicContact CB-CD2 4.04Å; N491-F496 HydrophobicContact CB-CE2 3.59Å; D492-F496 WeakPolarHBondContact O-CD2 3.16Å; D492-F496 PolarHBondContact O-N 3.22Å; S493-F496 CarbonylContact O-C 3.57Å; S493-F496 PolarHBondContact O-N 3.19Å; V494-F496 VanDerWaalsContact C-N 3.29Å; V494-F496 PolarHBondContact O-N 3.48Å; F496-V498 HydrophobicContact CB-CG2 4.2Å; F496-V498 PolarHBondContact O-N 3.24Å
497E84.7Confident88Confident90 Ų9044.2 Ų44.242%0.42122%0.216SC..THydrogen-bonded Turntrans58.726.9-179.1-52.5-174.1142.800113.9R162 S493 V494 K495 L499R162-E497 HydrophobicContact CB-CB 4.39Å; R162-E497 WeakPolarHBondContact CD-OE1 3.47Å; R162-E497 HydrophobicContact CG-CB 4.22Å; R162-E497 HydrophobicContact CG-CG 4.39Å; R162-E497 WeakPolarHBondContact CG-OE2 3.47Å; S493-E497 PolarHBondContact O-N 2.94Å; S493-E497 VanDerWaalsContact O-N 3.17Å; V494-E497 PolarHBondContact O-N 2.85Å; V494-E497 VanDerWaalsContact O-N 3.08Å; K495-E497 VanDerWaalsContact C-N 3.28Å; E497-L499 PolarHBondContact O-N 3.15Å
498V88.2Confident88.9Confident27 Ų2738.4 Ų38.416%0.16419%0.189CC..  trans-90.187.7176-173.10000109.6T166 G411 A412 V481 S493 F496T166-V498 HydrophobicContact CG2-CB 4.36Å; T166-V498 HydrophobicContact CG2-CG1 4.1Å; G411-V498 PolarHBondContact N-O 3.09Å; A412-V498 HydrophobicContact CB-CG1 4.17Å; V481-V498 HydrophobicContact CG1-CG2 4.24Å; S493-V498 PolarHBondContact O-N 3.47Å; F496-V498 HydrophobicContact CB-CG2 4.2Å; F496-V498 PolarHBondContact O-N 3.24Å
499L89.8Confident89.7Confident4 Ų437.6 Ų37.62%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-114.3139.2179.5-56.7175.5000111.2T166 L408 V409 V494 E497T166-L499 WeakPolarHBondContact CB-O 3.35Å; T166-L499 WeakPolarHBondContact CG2-O 3.39Å; T166-L499 PolarHBondContact OG1-O 3.23Å; L408-L499 HydrophobicContact CB-CB 4.39Å; L408-L499 HydrophobicContact CB-CD1 4.38Å; L408-L499 HydrophobicContact CD1-CB 4.34Å; L408-L499 HydrophobicContact CD1-CD1 3.65Å; V409-L499 WeakPolarHBondContact O-CA 3.35Å; V494-L499 HydrophobicContact CG2-CD2 4.08Å; E497-L499 PolarHBondContact O-N 3.15Å
500D90.5Very high90.3Very high38 Ų3841.6 Ų41.620%0.20320%0.195CC..EExtended strand (participates in β ladder)trans-106.5158.1173.1-70.9-15.1000109.9V409 K505V409-D500 HydrophobicContact CG2-CB 4.11Å; V409-D500 WeakPolarHBondContact CG2-O 3.43Å; V409-D500 PolarHBondContact N-O 2.95Å; V409-D500 PolarHBondContact O-N 2.9Å; D500-K505 WeakPolarHBondContact OD2-CE 3.16Å; D500-K505 IonicContact OD2-NZ 3.64Å; D500-K505 PolarHBondContact OD2-NZ 2.96Å
501L91.7Very high90.8Very high6 Ų641.3 Ų41.33%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-75.2130.9173.7-72.9171000111.5V163 T398 C401 L402 L408 L503 L504 K505V163-L501 HydrophobicContact CG1-CD2 4.15Å; V163-L501 HydrophobicContact CG1-CG 4.22Å; T398-L501 HydrophobicContact CG2-CD1 3.51Å; T398-L501 HydrophobicContact CG2-CG 4.22Å; T398-L501 WeakPolarHBondContact O-CD1 3.48Å; C401-L501 HydrophobicContact CB-CD1 3.59Å; L402-L501 HydrophobicContact CD2-CD2 3.29Å; L402-L501 HydrophobicContact CG-CD1 4.42Å; L402-L501 HydrophobicContact CG-CD2 3.55Å; L408-L501 HydrophobicContact CD2-CD2 3.75Å; L501-L503 VanDerWaalsContact C-N 3.28Å; L501-L503 PolarHBondContact O-N 3.47Å; L501-L504 HydrophobicContact CB-CB 3.89Å; L501-L504 PolarHBondContact O-N 3.07Å; L501-K505 PolarHBondContact O-N 3.3Å
502H93.4Very high91.2Very high11 Ų1138.8 Ų38.85%0.05118%0.179CC..Hα-helixtrans-55.4-46.1172.6172.782.8000111.4L143 N144 K407 V409 L504 K505 H506L143-H502 PolarHBondContact O-CE1 2.86Å; L143-H502 PolarHBondContact O-ND1 3.41Å; N144-H502 PolarHBondContact OD1-CE1 3.24Å; N144-H502 PolarHBondContact OD1-NE2 2.98Å; K407-H502 HydrophobicContact CB-CB 3.69Å; K407-H502 VanDerWaalsContact O-CB 3.29Å; K407-H502 WeakPolarHBondContact O-CB 3.43Å; K407-H502 PolarHBondContact O-N 3.1Å; V409-H502 HydrophobicContact CG1-CB 4.01Å; H502-L504 VanDerWaalsContact C-N 3.3Å; H502-L504 PolarHBondContact O-N 3.38Å; H502-K505 PolarHBondContact O-N 3Å; H502-H506 WeakPolarHBondContact O-CB 3.36Å; H502-H506 PolarHBondContact O-N 3.07Å
503L92.8Very high91.6Very high31 Ų3136.9 Ų36.916%0.16217%0.169CC..Hα-helixtrans-62.6-37.2-177.1-17363.4000112R404 L501 H506 W507R404-L503 HydrophobicContact CB-CD2 4.3Å; L501-L503 VanDerWaalsContact C-N 3.28Å; L501-L503 PolarHBondContact O-N 3.47Å; L503-H506 WeakPolarHBondContact O-CB 3.33Å; L503-H506 PolarHBondContact O-N 3.38Å; L503-W507 PolarHBondContact O-N 2.91Å; L503-W507 VanDerWaalsContact O-N 3.07Å
504L93.5Very high92.2Very high12 Ų1240.4 Ų40.46%0.06319%0.188CC..Hα-helixtrans-63-49.4177.3179.3161.8000110.6D99 L501 H502 H506 W507 A508D99-L504 HydrophobicContact CB-CD1 3.68Å; D99-L504 WeakPolarHBondContact OD2-CD1 3.47Å; L501-L504 HydrophobicContact CB-CB 3.89Å; L501-L504 PolarHBondContact O-N 3.07Å; H502-L504 VanDerWaalsContact C-N 3.3Å; H502-L504 PolarHBondContact O-N 3.38Å; L504-H506 VanDerWaalsContact C-N 3.33Å; L504-H506 PolarHBondContact O-N 2.99Å; L504-W507 PolarHBondContact O-N 2.94Å; L504-A508 VanDerWaalsContact O-CB 3.31Å; L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.28Å
505K93.4Very high92.6Very high13 Ų1338.5 Ų38.56%0.05718%0.177CC..Hα-helixtrans-63.4-39.6177-63.6-68.2-172.4-174.70111.7L143 V409 E416 D500 L501 H502 W507 A508 I509L143-K505 HydrophobicContact CD1-CB 4.25Å; L143-K505 HydrophobicContact CD2-CB 3.88Å; V409-K505 HydrophobicContact CG2-CG 4.17Å; E416-K505 IonicContact OE1-NZ 3.39Å; E416-K505 PolarHBondContact OE1-NZ 3.08Å; D500-K505 WeakPolarHBondContact OD2-CE 3.16Å; D500-K505 IonicContact OD2-NZ 3.64Å; D500-K505 PolarHBondContact OD2-NZ 2.96Å; L501-K505 PolarHBondContact O-N 3.3Å; H502-K505 PolarHBondContact O-N 3Å; K505-W507 PolarHBondContact O-N 3.39Å; K505-A508 PolarHBondContact O-N 2.97Å; K505-I509 VanDerWaalsContact O-CG1 3.25Å; K505-I509 WeakPolarHBondContact O-CG1 3.24Å; K505-I509 PolarHBondContact O-N 3.49Å
506H94.4Very high93Very high40 Ų4030.6 Ų30.619%0.18514%0.142CC..Hα-helixtrans-56.8-51.8177.5-179.399.6000111.6L143 H502 L503 L504 R510L143-H506 HydrophobicContact CD2-CB 4.13Å; H502-H506 WeakPolarHBondContact O-CB 3.36Å; H502-H506 PolarHBondContact O-N 3.07Å; L503-H506 WeakPolarHBondContact O-CB 3.33Å; L503-H506 PolarHBondContact O-N 3.38Å; L504-H506 VanDerWaalsContact C-N 3.33Å; L504-H506 PolarHBondContact O-N 2.99Å; H506-R510 WeakPolarHBondContact O-CB 3.39Å; H506-R510 PolarHBondContact O-N 3.27Å
507W95.2Very high93.5Very high64 Ų6426.4 Ų26.424%0.24212%0.124CC..Hα-helixtrans-65.7-42177-72.8118.3000112.1L503 L504 K505 I509 R510 L511L503-W507 PolarHBondContact O-N 2.91Å; L503-W507 VanDerWaalsContact O-N 3.07Å; L504-W507 PolarHBondContact O-N 2.94Å; K505-W507 PolarHBondContact O-N 3.39Å; W507-I509 PolarHBondContact O-N 3.43Å; W507-R510 PolarHBondContact O-N 3.47Å; W507-L511 WeakPolarHBondContact O-CB 3.48Å; W507-L511 WeakPolarHBondContact O-CG 3.47Å; W507-L511 PolarHBondContact O-N 2.87Å
508A95Very high94Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-60.8-44.7-17800000112.3V103 V104 L504 K505 A512V103-A508 HydrophobicContact CB-CB 4.46Å; V103-A508 HydrophobicContact CG1-CB 4.19Å; V104-A508 HydrophobicContact CG2-CB 3.82Å; L504-A508 VanDerWaalsContact O-CB 3.31Å; L504-A508 WeakPolarHBondContact O-CB 3.42Å; L504-A508 PolarHBondContact O-N 3.28Å; K505-A508 PolarHBondContact O-N 2.97Å; A508-A512 WeakPolarHBondContact O-CB 3.12Å; A508-A512 PolarHBondContact O-N 2.87Å
509I95.6Very high94.3Very high7 Ų724.2 Ų24.24%0.03612%0.117CC..Hα-helixtrans-62.5-50.3177-65.5171.1000109.9L107 L140 L143 L419 F445 K505 W507 L511 A512 T513L107-I509 HydrophobicContact CD2-CB 4.49Å; L107-I509 HydrophobicContact CD2-CG1 4.15Å; L140-I509 HydrophobicContact CD2-CB 4.26Å; L140-I509 HydrophobicContact CD2-CG2 4.27Å; L143-I509 HydrophobicContact CD2-CD1 4.26Å; L419-I509 HydrophobicContact CD1-CD1 3.96Å; F445-I509 HydrophobicContact CE1-CD1 3.83Å; F445-I509 HydrophobicContact CE1-CG1 3.9Å; F445-I509 HydrophobicContact CZ-CD1 4.26Å; F445-I509 HydrophobicContact CZ-CG1 4.36Å; F445-I509 HydrophobicContact CZ-CG2 4.2Å; K505-I509 VanDerWaalsContact O-CG1 3.25Å; K505-I509 WeakPolarHBondContact O-CG1 3.24Å; K505-I509 PolarHBondContact O-N 3.49Å; W507-I509 PolarHBondContact O-N 3.43Å; I509-L511 PolarHBondContact O-N 3.32Å; I509-A512 PolarHBondContact O-N 2.89Å; I509-T513 HydrophobicContact CG2-CG2 4.34Å; I509-T513 WeakPolarHBondContact O-CG2 3.24Å; I509-T513 PolarHBondContact O-N 3.31Å; I509-T513 PolarHBondContact O-OG1 2.7Å
510R95.9Very high94.4Very high111 Ų11124.2 Ų24.242%0.41912%0.117SC..Hα-helixtrans-61.1-44.4-177.7-174.5177.6179.1-176.2-1.7112.6H506 W507 T513 N514H506-R510 WeakPolarHBondContact O-CB 3.39Å; H506-R510 PolarHBondContact O-N 3.27Å; W507-R510 PolarHBondContact O-N 3.47Å; R510-T513 PolarHBondContact O-OG1 2.96Å; R510-N514 WeakPolarHBondContact O-CB 3.24Å; R510-N514 PolarHBondContact O-N 3.32Å; R510-N514 PolarHBondContact O-ND2 2.92Å
511L96.3Very high94.5Very high17 Ų1729.2 Ų29.29%0.08913%0.133CC..Hα-helixtrans-69.5-41.8179.7-69.7178.2000111.5Q92 Q93 V104 W507 I509 T513 N514 A515Q92-L511 HydrophobicContact CB-CD1 4.04Å; Q92-L511 HydrophobicContact CB-CD2 4.3Å; Q93-L511 HydrophobicContact CB-CD1 3.87Å; V104-L511 HydrophobicContact CG1-CB 4.42Å; V104-L511 HydrophobicContact CG2-CB 4.49Å; W507-L511 WeakPolarHBondContact O-CB 3.48Å; W507-L511 WeakPolarHBondContact O-CG 3.47Å; W507-L511 PolarHBondContact O-N 2.87Å; I509-L511 PolarHBondContact O-N 3.32Å; L511-T513 PolarHBondContact O-N 3.13Å; L511-N514 PolarHBondContact O-N 2.81Å; L511-A515 WeakPolarHBondContact O-CB 3.28Å; L511-A515 PolarHBondContact O-N 3.1Å
512A95.8Very high94.4Very high0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-61.5-44175.900000111.9V104 L107 A108 A508 I509 A515 A516V104-A512 HydrophobicContact CG1-CB 4.35Å; L107-A512 HydrophobicContact CB-CB 3.92Å; L107-A512 HydrophobicContact CD2-CB 3.77Å; L107-A512 HydrophobicContact CG-CB 3.88Å; A108-A512 HydrophobicContact CB-CB 4.23Å; A508-A512 WeakPolarHBondContact O-CB 3.12Å; A508-A512 PolarHBondContact O-N 2.87Å; I509-A512 PolarHBondContact O-N 2.89Å; A512-A515 PolarHBondContact O-N 3.15Å; A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.31Å
513T96.1Very high94.1Very high2 Ų235.1 Ų35.11%0.01217%0.166CC..Hα-helixtrans-65.5-41.6177.758.80000112.2L111 C136 F441 I509 R510 L511 A516 N517L111-T513 HydrophobicContact CD1-CG2 4.15Å; C136-T513 HydrophobicContact CB-CG2 3.73Å; C136-T513 PolarHBondContact SG-OG1 3.04Å; F441-T513 HydrophobicContact CE2-CG2 3.4Å; F441-T513 VanDerWaalsContact CE2-CG2 3.4Å; F441-T513 HydrophobicContact CZ-CG2 3.55Å; I509-T513 HydrophobicContact CG2-CG2 4.34Å; I509-T513 WeakPolarHBondContact O-CG2 3.24Å; I509-T513 PolarHBondContact O-N 3.31Å; I509-T513 PolarHBondContact O-OG1 2.7Å; R510-T513 PolarHBondContact O-OG1 2.96Å; L511-T513 PolarHBondContact O-N 3.13Å; T513-A516 PolarHBondContact O-N 2.87Å; T513-N517 WeakPolarHBondContact O-CB 3.48Å; T513-N517 VanDerWaalsContact O-CG 3.27Å; T513-N517 PolarHBondContact O-N 3.11Å; T513-N517 PolarHBondContact O-ND2 3.28Å
514N95.8Very high93.8Very high74 Ų7437 Ų3740%0.39617%0.174SC..Hα-helixtrans-64.6-46.3178.5-73.5-12.8000110.9R510 L511 A516 N517 T518R510-N514 WeakPolarHBondContact O-CB 3.24Å; R510-N514 PolarHBondContact O-N 3.32Å; R510-N514 PolarHBondContact O-ND2 2.92Å; L511-N514 PolarHBondContact O-N 2.81Å; N514-A516 PolarHBondContact O-N 3.3Å; N514-N517 PolarHBondContact O-N 3.16Å; N514-T518 PolarHBondContact O-N 2.66Å; N514-T518 PolarHBondContact O-OG1 3.42Å; N514-T518 WeakPolarHBondContact O-CB 3.43Å
515A95.3Very high93.4Very high5 Ų537.2 Ų37.24%0.04118%0.176CC..Hα-helixtrans-60-47177.400000111.8A89 L511 A512 N517 T518 I519A89-A515 HydrophobicContact CB-CB 3.8Å; L511-A515 WeakPolarHBondContact O-CB 3.28Å; L511-A515 PolarHBondContact O-N 3.1Å; A512-A515 PolarHBondContact O-N 3.15Å; A515-N517 PolarHBondContact O-N 3.18Å; A515-T518 PolarHBondContact O-N 2.81Å; A515-I519 WeakPolarHBondContact O-CD1 3.46Å; A515-I519 VanDerWaalsContact O-CG1 3.25Å; A515-I519 WeakPolarHBondContact O-CG1 3.34Å; A515-I519 PolarHBondContact O-N 2.93Å
516A95.5Very high93Very high0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-60.5-45.917700000111.6L111 L112 A512 T513 N514 T518 I519 L520L111-A516 HydrophobicContact CB-CB 3.95Å; L111-A516 HydrophobicContact CD1-CB 4.16Å; L112-A516 HydrophobicContact CD2-CB 4.25Å; L112-A516 HydrophobicContact CG-CB 4.39Å; A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.31Å; T513-A516 PolarHBondContact O-N 2.87Å; N514-A516 PolarHBondContact O-N 3.3Å; A516-T518 PolarHBondContact O-N 3.49Å; A516-I519 PolarHBondContact O-N 3.38Å; A516-L520 WeakPolarHBondContact O-CB 3.43Å; A516-L520 PolarHBondContact O-N 2.98Å; A516-L520 WeakPolarHBondContact O-CG 3.17Å; A516-L520 VanDerWaalsContact O-CG 3.28Å
517N95.1Very high92.5Very high3 Ų342.2 Ų42.22%0.01620%0.202CC..Hα-helixtrans-64.3-41.2178.2-76.1-16.9000112.7T129 E133 T513 N514 A515 L520 R521T129-N517 HydrophobicContact CG2-CB 4.39Å; E133-N517 VanDerWaalsContact CG-ND2 3.32Å; E133-N517 WeakPolarHBondContact CG-ND2 3.39Å; T513-N517 WeakPolarHBondContact O-CB 3.48Å; T513-N517 VanDerWaalsContact O-CG 3.27Å; T513-N517 PolarHBondContact O-N 3.11Å; T513-N517 PolarHBondContact O-ND2 3.28Å; N514-N517 PolarHBondContact O-N 3.16Å; A515-N517 PolarHBondContact O-N 3.18Å; N517-L520 PolarHBondContact O-N 3.44Å; N517-R521 WeakPolarHBondContact O-CB 3.34Å; N517-R521 VanDerWaalsContact O-CG 3.26Å; N517-R521 WeakPolarHBondContact O-CG 3.35Å; N517-R521 PolarHBondContact O-N 3.38Å
518T94.9Very high92Very high69 Ų6943.1 Ų43.142%0.42322%0.223SC..Hα-helixtrans-63-43.2175.9-58.90000111I85 N514 A515 A516 R521 V522I85-T518 HydrophobicContact CD1-CG2 4.23Å; I85-T518 HydrophobicContact CG2-CG2 4.25Å; N514-T518 PolarHBondContact O-N 2.66Å; N514-T518 PolarHBondContact O-OG1 3.42Å; N514-T518 WeakPolarHBondContact O-CB 3.43Å; A515-T518 PolarHBondContact O-N 2.81Å; A516-T518 PolarHBondContact O-N 3.49Å; T518-R521 PolarHBondContact O-N 3.14Å; T518-V522 WeakPolarHBondContact O-CG2 3.21Å
519I93.8Very high91.3Very high2 Ų252.2 Ų52.21%0.0126%0.258CS..Hα-helixtrans-64.4-42.7178.2-68.3162.8000111N32 A82 I85 L86 L112 A515 A516 R521 V522N32-I519 HydrophobicContact CB-CG2 4.2Å; A82-I519 HydrophobicContact CB-CG2 4.24Å; I85-I519 HydrophobicContact CB-CG1 4.2Å; I85-I519 HydrophobicContact CD1-CG1 4.34Å; I85-I519 HydrophobicContact CG2-CD1 4.45Å; I85-I519 HydrophobicContact CG2-CG1 4.09Å; L86-I519 HydrophobicContact CB-CD1 4.36Å; L86-I519 HydrophobicContact CD1-CD1 4.32Å; L112-I519 HydrophobicContact CD1-CD1 3.92Å; L112-I519 HydrophobicContact CD1-CG2 4.27Å; L112-I519 HydrophobicContact CD2-CB 4.21Å; L112-I519 HydrophobicContact CD2-CG2 3.97Å; A515-I519 WeakPolarHBondContact O-CD1 3.46Å; A515-I519 VanDerWaalsContact O-CG1 3.25Å; A515-I519 WeakPolarHBondContact O-CG1 3.34Å; A515-I519 PolarHBondContact O-N 2.93Å; A516-I519 PolarHBondContact O-N 3.38Å; I519-R521 VanDerWaalsContact C-N 3.34Å; I519-R521 PolarHBondContact O-N 3.41Å; I519-V522 PolarHBondContact O-N 2.8Å
520L92.7Very high90.4Very high4 Ų457.1 Ų57.12%0.02129%0.29CS..Hα-helixtrans-66.1-34.3178.9-71.4172.6000112.8V29 I33 L112 A115 L119 V125 V128 T129 F132 A516 N517 V522V29-L520 HydrophobicContact CG1-CD2 4.36Å; I33-L520 HydrophobicContact CD1-CD2 4.16Å; L112-L520 HydrophobicContact CD2-CD2 4.09Å; L112-L520 HydrophobicContact CD2-CG 3.95Å; A115-L520 HydrophobicContact CB-CD1 3.78Å; A115-L520 HydrophobicContact CB-CD2 3.8Å; A115-L520 HydrophobicContact CB-CG 4.4Å; L119-L520 HydrophobicContact CD1-CD2 4.37Å; V125-L520 HydrophobicContact CG1-CB 4.23Å; V125-L520 WeakPolarHBondContact CG1-O 3.46Å; V128-L520 HydrophobicContact CG1-CD1 4.06Å; T129-L520 HydrophobicContact CG2-CB 3.92Å; T129-L520 HydrophobicContact CG2-CD1 4.26Å; F132-L520 HydrophobicContact CD2-CD1 4.23Å; F132-L520 HydrophobicContact CE2-CD1 3.98Å; A516-L520 WeakPolarHBondContact O-CB 3.43Å; A516-L520 PolarHBondContact O-N 2.98Å; A516-L520 WeakPolarHBondContact O-CG 3.17Å; A516-L520 VanDerWaalsContact O-CG 3.28Å; N517-L520 PolarHBondContact O-N 3.44Å; L520-V522 PolarHBondContact O-N 3.47Å
521R91.5Very high89.1Confident142 Ų14256.8 Ų56.854%0.53631%0.311SS..THydrogen-bonded Turntrans-70.5-13.6178.8-76176.4-179.9166.26.5114.1T129 E133 N517 T518 I519 D523T129-R521 HydrophobicContact CG2-CG 4.23Å; E133-R521 IonicContact OE1-CZ 2.76Å; E133-R521 IonicContact OE1-NH1 3.68Å; E133-R521 IonicContact OE1-NH2 3.66Å; E133-R521 PolarHBondContact OE1-NH2 3.33Å; N517-R521 WeakPolarHBondContact O-CB 3.34Å; N517-R521 VanDerWaalsContact O-CG 3.26Å; N517-R521 WeakPolarHBondContact O-CG 3.35Å; N517-R521 PolarHBondContact O-N 3.38Å; T518-R521 PolarHBondContact O-N 3.14Å; I519-R521 VanDerWaalsContact C-N 3.34Å; I519-R521 PolarHBondContact O-N 3.41Å; R521-D523 PolarHBondContact O-N 3.21Å
522V90.2Very high87.2Confident43 Ų4359.7 Ų59.726%0.26135%0.345SS..  trans-81.6107.4178.2178.40000109.6T518 I519 L520 Q524 I525T518-V522 WeakPolarHBondContact O-CG2 3.21Å; I519-V522 PolarHBondContact O-N 2.8Å; L520-V522 PolarHBondContact O-N 3.47Å; V522-Q524 WeakPolarHBondContact CG1-O 3.37Å; V522-I525 HydrophobicContact CG1-CD1 4.46Å; V522-I525 HydrophobicContact CG1-CG1 3.84Å
523D86.9Confident85.5Confident98 Ų9862.2 Ų62.252%0.52437%0.371SS..  trans-89.6-34.817765.2-30.8000112.6S28 R521S28-D523 WeakPolarHBondContact CB-O 3.18Å; S28-D523 PolarHBondContact OG-O 3.36Å; R521-D523 PolarHBondContact O-N 3.21Å
524Q85.8Confident83.2Confident70 Ų7068.2 Ų68.233%0.32741%0.41SS..EExtended strand (participates in β ladder)trans-125.4138.2-177.1-64.71784.600112Y21 F22 E23 V522Y21-Q524 HydrophobicContact CE2-CB 4.18Å; Y21-Q524 HydrophobicContact CE2-CG 4.18Å; Y21-Q524 PolarHBondContact OH-NE2 3.42Å; Y21-Q524 PolarHBondContact OH-OE1 3.05Å; F22-Q524 WeakPolarHBondContact O-CA 3.35Å; E23-Q524 HydrophobicContact CB-CG 4.43Å; E23-Q524 HydrophobicContact CG-CG 4.17Å; V522-Q524 WeakPolarHBondContact CG1-O 3.37Å
525I85.3Confident81.4Confident18 Ų1874.1 Ų74.19%0.09243%0.432CS..EExtended strand (participates in β ladder)trans-120.6120.7172.8-64.3179.4000109.5F22 N32 P81 V522 M527F22-I525 HydrophobicContact CB-CB 4.44Å; F22-I525 HydrophobicContact CD2-CB 4.42Å; F22-I525 HydrophobicContact CD2-CG2 4.47Å; F22-I525 PolarHBondContact N-O 3.38Å; F22-I525 PolarHBondContact O-N 3.05Å; N32-I525 WeakPolarHBondContact OD1-CD1 3.22Å; P81-I525 HydrophobicContact CG-CG2 4.47Å; V522-I525 HydrophobicContact CG1-CD1 4.46Å; V522-I525 HydrophobicContact CG1-CG1 3.84Å; I525-M527 HydrophobicContact CG2-CG 3.81Å
526I85.4Confident79.4Confident97 Ų9779.6 Ų79.650%0.49747%0.467SS..EExtended strand (participates in β ladder)trans-106.3111.9172.9-58.8164000107.8F11 L15 Y21F11-I526 HydrophobicContact CE1-CD1 4.19Å; F11-I526 HydrophobicContact CE1-CG1 4.47Å; F11-I526 HydrophobicContact CZ-CD1 4.24Å; L15-I526 HydrophobicContact CD1-CG2 4.44Å; Y21-I526 HydrophobicContact CD2-CG1 3.9Å; Y21-I526 HydrophobicContact CE2-CG1 4.38Å
527M84Confident77.3Confident60 Ų6091.3 Ų91.330%0.29651%0.512SS..EExtended strand (participates in β ladder)trans-107.4116.6175.2-73.7-169.6-7200110.3A19 R20 F22 P81 I525A19-M527 WeakPolarHBondContact CA-O 3.42Å; R20-M527 HydrophobicContact CB-CB 4.44Å; R20-M527 PolarHBondContact N-O 3.35Å; R20-M527 PolarHBondContact O-N 3.48Å; F22-M527 HydrophobicContact CD2-CE 3.91Å; F22-M527 HydrophobicContact CE2-CE 3.23Å; F22-M527 HydrophobicContact CZ-CE 4.12Å; P81-M527 HydrophobicContact CG-SD 4.33Å; I525-M527 HydrophobicContact CG2-CG 3.81Å
528A84.6Confident75.3Confident84 Ų8499.7 Ų99.769%0.69455%0.551SS**PPolyproline II helixtrans-71.8150.916800000110.5
529R80.6Confident73.2Confident190 Ų190102.6 Ų102.672%0.71757%0.571SS**PPolyproline II helixtrans-59.9131.5167.9-173.2178.4178.6173.2-0108.3A531R529-A531 PolarHBondContact O-N 3.49Å
530P76.2Confident71Confident111 Ų111105.5 Ų105.572%0.72160%0.602SS**PPolyproline II helixtrans-56.5129.8172.523.4-32.1000108.2G532P530-G532 PolarHBondContact O-N 3.29Å
531A70.2Confident68.9Low103 Ų103109.8 Ų109.885%0.85164%0.638SS**  trans-60.2107177.300000107.8R529 G533R529-A531 PolarHBondContact O-N 3.49Å; A531-G533 PolarHBondContact O-N 3.09Å
532G55.7Low67Low78 Ų78111.8 Ų111.880%0.80466%0.655SS**  trans-70.477.6170.400000108.4P530P530-G532 PolarHBondContact O-N 3.29Å
533G59.3Low64.9Low53 Ų53117 Ų11755%0.54668%0.682SS.*PPolyproline II helixtrans-58.615116400000109.1A531 K535A531-G533 PolarHBondContact O-N 3.09Å; G533-K535 PolarHBondContact O-N 3.06Å
534P48.3Very low62.8Low129 Ų129121.7 Ų121.784%0.83870%0.7SS**PPolyproline II helixtrans-52.9132174.121.6-30.1000108.7
535K57.2Low60.8Low197 Ų197129.5 Ų129.586%0.85774%0.744SS**PPolyproline II helixtrans-47.5132.7173.1-75.3-179.5176179.90107.6G533 R537G533-K535 PolarHBondContact O-N 3.06Å; K535-R537 PolarHBondContact O-N 2.78Å; K535-R537 VanDerWaalsContact O-N 3.12Å
536P54.9Low59.6Low121 Ų121135.1 Ų135.179%0.78678%0.777SS**PPolyproline II helixtrans-51.9127.217320.9-30000107.6Q538P536-Q538 PolarHBondContact O-N 3.17Å; P536-Q538 VanDerWaalsContact O-N 3.08Å
537R51.7Low58.3Low245 Ų245137.1 Ų137.193%0.92579%0.791SS**PPolyproline II helixtrans-51.4121.8175.7-87.2179.4164.6176.9-5.8106.7K535K535-R537 PolarHBondContact O-N 2.78Å; K535-R537 VanDerWaalsContact O-N 3.12Å
538Q52.4Low56.8Low179 Ų179141.3 Ų141.384%0.83682%0.819SS**PPolyproline II helixtrans-51.7139.5166.9-85178.3-13.900107.6P536 G540P536-Q538 PolarHBondContact O-N 3.17Å; P536-Q538 VanDerWaalsContact O-N 3.08Å; Q538-G540 PolarHBondContact O-N 3.32Å
539P50.8Low55.2Low130 Ų130144.7 Ų144.784%0.84483%0.826SS**  trans-56.1112.2170.9-13.826.4000106.6
540G47.7Very low53.6Low64 Ų64141.9 Ų141.966%0.6683%0.833SS**PPolyproline II helixtrans-58.3147.6168.700000108.2Q538 M542Q538-G540 PolarHBondContact O-N 3.32Å; G540-M542 PolarHBondContact O-N 3.18Å; G540-M542 VanDerWaalsContact O-N 3.15Å
541A47.5Very low52.1Low94 Ų94143.9 Ų143.978%0.77784%0.841SS**PPolyproline II helixtrans-48.1124.8170.300000108.2D543A541-D543 PolarHBondContact O-N 3.47Å; A541-D543 VanDerWaalsContact O-N 3.13Å
542M51.8Low50.8Low183 Ų183146.9 Ų146.990%0.90184%0.84SS**PPolyproline II helixtrans-61117.8168.3-75.2178.376.600106G540 E544G540-M542 PolarHBondContact O-N 3.18Å; G540-M542 VanDerWaalsContact O-N 3.15Å; M542-E544 PolarHBondContact O-N 3.4Å
543D46Very low50.4Low153 Ų153152.2 Ų152.282%0.81884%0.843SS**PPolyproline II helixtrans-55.3130.1170-71.7-40.5000108.2A541 D545A541-D543 PolarHBondContact O-N 3.47Å; A541-D543 VanDerWaalsContact O-N 3.13Å; D543-D545 PolarHBondContact O-N 2.86Å
544E43Very low49.7Very low197 Ų197160.4 Ų160.492%0.92187%0.867SS**  trans-73.6101.7170.4-70.9-178.516000108.1M542M542-E544 PolarHBondContact O-N 3.4Å
545D45.2Very low49.8Very low233 Ų233163.3 Ų163.3100%1.24687%0.87SS**  trans-109.20159.1-84.6-20.8000110.1D543D543-D545 PolarHBondContact O-N 2.86Å

Retrieved 545 of 545 residues in 118.5 ms (Link to these results)

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