A0A087YJZ5_POEFO Loading...

T-complex protein 1 subunit theta

Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia.

AlphaFold DB , UniProt , Accession A0A087YJZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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
1M50.5Low62.9Low242 Ų242130.3 Ų130.3100%1.19274%0.738SS**  0114.30-67.9178.1-166.400107L3M1-L3 PolarHBondContact O-N 3.17Å
2A48.7Very low63.5Low106 Ų106124.8 Ų124.888%0.87672%0.721SS**  trans-64.4128.617600000108.8
3L57.6Low64.2Low164 Ų164125.2 Ų125.286%0.85971%0.712SS**  trans-57.3135.7176.5-78.3153.7000109.6M1 V5M1-L3 PolarHBondContact O-N 3.17Å; L3-V5 PolarHBondContact O-N 3.22Å; L3-V5 VanDerWaalsContact O-N 3.08Å
4H66.3Low65.2Low167 Ų167127.6 Ų127.677%0.77372%0.717SS**  trans-62.1111.3174.7-17162.2000108.6P6H4-P6 VanDerWaalsContact O-CD 3.28Å; H4-P6 WeakPolarHBondContact O-CD 3.32Å
5V72.6Confident66.2Low118 Ų118122.1 Ų122.172%0.71569%0.685SS**PPolyproline II helixtrans-66.5116.7175.6-177.40000107.3L3 K7L3-V5 PolarHBondContact O-N 3.22Å; L3-V5 VanDerWaalsContact O-N 3.08Å; V5-K7 PolarHBondContact O-N 2.77Å
6P63.1Low67.1Low109 Ų109126.4 Ų126.471%0.70869%0.694SS**PPolyproline II helixtrans-63121.2178.924.2-31.1000108.9H4H4-P6 VanDerWaalsContact O-CD 3.28Å; H4-P6 WeakPolarHBondContact O-CD 3.32Å
7K64.1Low67.5Low172 Ų172128.9 Ų128.975%0.74871%0.707SS**PPolyproline II helixtrans-69.4131.5173.8-69.9-179.5179.2177.40108.5V5V5-K7 PolarHBondContact O-N 2.77Å
8P64Low68Low108 Ų108124.4 Ų124.470%0.70170%0.695SS**PPolyproline II helixtrans-58.5142.2178.723.3-32.1000110.4G10P8-G10 PolarHBondContact O-N 2.97Å
9P64.5Low68.7Low114 Ų114119.6 Ų119.674%0.7467%0.672SS**PPolyproline II helixtrans-62.1119.7171.526.6-31.9000108.7
10G69.6Low69.3Low37 Ų37120.3 Ų120.338%0.38167%0.668SS.*  trans-153.6175-175.800000111.3P8 A12 Q13P8-G10 PolarHBondContact O-N 2.97Å; G10-A12 PolarHBondContact O-N 2.83Å; G10-Q13 WeakPolarHBondContact O-CB 3.45Å; G10-Q13 PolarHBondContact O-N 3.1Å
11F71.5Confident70Confident96 Ų96116.9 Ų116.942%0.42165%0.647SS.*G310 helixtrans-47.3-31.8-179-176.5-106.4000113.6Q13 M14 L15 H21 I526F11-Q13 VanDerWaalsContact C-N 3.25Å; F11-Q13 PolarHBondContact O-N 3.03Å; F11-M14 HydrophobicContact CD2-SD 4.37Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.48Å; F11-L15 HydrophobicContact CD1-CD1 4.24Å; F11-L15 HydrophobicContact CE1-CD1 4.02Å; F11-L15 HydrophobicContact CE1-CD2 4.3Å; F11-L15 HydrophobicContact CE1-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD2 4.36Å; F11-H21 AromaticContact CD1-CD2 3.51Å; F11-H21 AromaticContact CD1-CG 3.93Å; F11-H21 AromaticContact CD1-NE2 3.56Å; F11-H21 AromaticContact CE1-CD2 3.57Å; F11-H21 AromaticContact CE1-NE2 3.8Å; F11-I526 HydrophobicContact CE1-CD1 4.09Å; F11-I526 HydrophobicContact CZ-CD1 4.35Å
12A69.3Low71.7Confident65 Ų65106.9 Ų106.954%0.53760%0.597SS.*G310 helixtrans-59.6-25.9174.900000115G10G10-A12 PolarHBondContact O-N 2.83Å
13Q73.4Confident73.4Confident129 Ų129104.3 Ų104.360%0.60357%0.572SS**G310 helixtrans-80.9-15.1175.3-67.9-177.7-4.400113.2G10 F11 L15G10-Q13 WeakPolarHBondContact O-CB 3.45Å; G10-Q13 PolarHBondContact O-N 3.1Å; F11-Q13 VanDerWaalsContact C-N 3.25Å; F11-Q13 PolarHBondContact O-N 3.03Å; Q13-L15 VanDerWaalsContact C-N 3.32Å
14M78.4Confident74.7Confident160 Ų16098 Ų9879%0.78855%0.547SS*.SBendtrans-82.9-13.3174.3-61.3-178.617500112.3F11F11-M14 HydrophobicContact CD2-SD 4.37Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.48Å
15L79.9Confident75.5Confident45 Ų4594.7 Ų94.724%0.23653%0.534CS..SBendtrans-91.8156.7-179.1-60.2174.8000110.7F11 Q13 A19 H21 I526F11-L15 HydrophobicContact CD1-CD1 4.24Å; F11-L15 HydrophobicContact CE1-CD1 4.02Å; F11-L15 HydrophobicContact CE1-CD2 4.3Å; F11-L15 HydrophobicContact CE1-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD2 4.36Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; L15-A19 HydrophobicContact CB-CB 3.75Å; L15-A19 HydrophobicContact CD1-CB 4.15Å; L15-H21 HydrophobicContact CD1-CB 4.16Å; L15-I526 HydrophobicContact CD1-CG2 4.31Å
16K80.3Confident75.8Confident190 Ų19096.6 Ų96.683%0.82654%0.536SS*.PPolyproline II helixtrans-58.7145.8174.9-70.6-176.2177.8179.70111G18 A19K16-G18 PolarHBondContact O-N 3.4Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.39Å; K16-A19 PolarHBondContact O-N 3.35Å
17D74.8Confident76.7Confident170 Ų17097.1 Ų97.191%0.90953%0.528SS*.THydrogen-bonded Turntrans-52124.2177.6-77.6-33.4000111.8
18G75.6Confident77.8Confident48 Ų4888.9 Ų88.950%0.49549%0.493SS..THydrogen-bonded Turntrans94.8-1.1-178.100000115.4K16K16-G18 PolarHBondContact O-N 3.4Å
19A80.6Confident79Confident32 Ų3284 Ų8426%0.26446%0.461SS..  trans-69.9136.4168.100000111.1L15 K16 M527L15-A19 HydrophobicContact CB-CB 3.75Å; L15-A19 HydrophobicContact CD1-CB 4.15Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.39Å; K16-A19 PolarHBondContact O-N 3.35Å; A19-M527 CarbonylContact C-O 3.57Å; A19-M527 WeakPolarHBondContact CA-O 3.28Å
20K81.6Confident80.3Confident133 Ų13380.7 Ų80.758%0.57844%0.435SS*.EExtended strand (participates in β ladder)trans-105.1131.8172.5-62.4-178.8-178.5177.40108.9F22 M527K20-F22 HydrophobicContact CB-CE2 3.68Å; K20-F22 HydrophobicContact CB-CZ 4.06Å; K20-F22 HydrophobicContact CD-CE2 4.36Å; K20-F22 HydrophobicContact CD-CZ 4.23Å; K20-M527 HydrophobicContact CB-CB 4.49Å; K20-M527 PolarHBondContact N-O 3.35Å; K20-M527 PolarHBondContact O-N 3.27Å
21H84.4Confident81.3Confident49 Ų4984.5 Ų84.523%0.22744%0.438CS..EExtended strand (participates in β ladder)trans-119.6122.8176.8173-97.3000108.7F11 L15 S23 I525F11-H21 AromaticContact CD1-CD2 3.51Å; F11-H21 AromaticContact CD1-CG 3.93Å; F11-H21 AromaticContact CD1-NE2 3.56Å; F11-H21 AromaticContact CE1-CD2 3.57Å; F11-H21 AromaticContact CE1-NE2 3.8Å; L15-H21 HydrophobicContact CD1-CB 4.16Å; H21-S23 VanDerWaalsContact CE1-CB 3.42Å; H21-S23 WeakPolarHBondContact CE1-CB 3.48Å; H21-I525 WeakPolarHBondContact CA-O 3.49Å
22F84.8Confident82.3Confident33 Ų3380 Ų8015%0.14542%0.418CS..EExtended strand (participates in β ladder)trans-116.8135.1172.9-57.8-78.1000108.1K20 Q524 I525 M527K20-F22 HydrophobicContact CB-CE2 3.68Å; K20-F22 HydrophobicContact CB-CZ 4.06Å; K20-F22 HydrophobicContact CD-CE2 4.36Å; K20-F22 HydrophobicContact CD-CZ 4.23Å; F22-Q524 CarbonylContact O-C 3.57Å; F22-Q524 WeakPolarHBondContact O-CA 3.17Å; F22-I525 HydrophobicContact CB-CB 4.35Å; F22-I525 HydrophobicContact CD2-CB 4.43Å; F22-I525 PolarHBondContact N-O 3.46Å; F22-I525 PolarHBondContact O-N 3.46Å; F22-M527 HydrophobicContact CD2-CE 3.92Å; F22-M527 HydrophobicContact CE2-CE 3.35Å; F22-M527 HydrophobicContact CZ-CE 4.37Å
23S85.6Confident83.5Confident52 Ų5277 Ų7736%0.36439%0.393SS..EExtended strand (participates in β ladder)trans-144.3146-174.3163.20000111.1H21H21-S23 VanDerWaalsContact CE1-CB 3.42Å; H21-S23 WeakPolarHBondContact CE1-CB 3.48Å
24G85Confident84.5Confident32 Ų3278.8 Ų78.833%0.3339%0.394SS..Hα-helixtrans92.6175.2172.100000113.7E26 A28 V29 D523G24-E26 PolarHBondContact O-N 2.95Å; G24-A28 VanDerWaalsContact O-CB 3.28Å; G24-A28 WeakPolarHBondContact O-CB 3.05Å; G24-A28 PolarHBondContact O-N 3.31Å; G24-V29 PolarHBondContact O-N 2.96Å; G24-D523 PolarHBondContact N-O 3Å
25L81.9Confident85.2Confident96 Ų9672.1 Ų72.150%0.50336%0.364SS..Iπ-helixtrans-61.8-45-173.3-72.6165.1000112.5V29 F30 V125L25-V29 HydrophobicContact CD2-CG2 4.3Å; L25-V29 WeakPolarHBondContact O-CB 3.25Å; L25-V29 PolarHBondContact O-N 3.21Å; L25-F30 PolarHBondContact O-N 3.39Å; L25-V125 HydrophobicContact CD2-CG2 3.55Å
26E80.8Confident85.8Confident159 Ų15970 Ų7074%0.74335%0.353SS*.Iπ-helixtrans-74.3-49.7-175.1-68.4-170.1162.900113.3G24 F30G24-E26 PolarHBondContact O-N 2.95Å; E26-F30 HydrophobicContact CG-CD2 4.31Å; E26-F30 HydrophobicContact CG-CE2 4.37Å
27E81.4Confident86.5Confident119 Ų11963.2 Ų63.256%0.55632%0.324SS*.Iπ-helixtrans-83.4-31-173.2-69.5-164.7160.300114R31E27-R31 WeakPolarHBondContact O-CB 3.34Å
28A85.9Confident87.3Confident0 Ų060 Ų600%030%0.304CS..Iπ-helixtrans-98.1-60.5-179.700000111.3G24 R31 N32 D523 I525G24-A28 VanDerWaalsContact O-CB 3.28Å; G24-A28 WeakPolarHBondContact O-CB 3.05Å; G24-A28 PolarHBondContact O-N 3.31Å; A28-R31 PolarHBondContact O-N 3.35Å; A28-N32 WeakPolarHBondContact O-CB 3.2Å; A28-N32 PolarHBondContact O-N 2.92Å; A28-N32 PolarHBondContact O-ND2 2.98Å; A28-N32 PolarHBondContact O-OD1 3.41Å; A28-D523 WeakPolarHBondContact CB-O 3.09Å; A28-I525 HydrophobicContact CB-CG1 4.44Å
29V89.4Confident88.1Confident5 Ų558.8 Ų58.83%0.0329%0.285CS..Iπ-helixtrans-69.4-52.6-169.3-176.40000112.1G24 L25 R31 N32 I33 L119 L520G24-V29 PolarHBondContact O-N 2.96Å; L25-V29 HydrophobicContact CD2-CG2 4.3Å; L25-V29 WeakPolarHBondContact O-CB 3.25Å; L25-V29 PolarHBondContact O-N 3.21Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.23Å; V29-N32 WeakPolarHBondContact O-CB 3.39Å; V29-N32 PolarHBondContact O-N 2.9Å; V29-I33 HydrophobicContact CG1-CD1 3.92Å; V29-I33 WeakPolarHBondContact O-CG1 3.47Å; V29-I33 PolarHBondContact O-N 3.33Å; V29-L119 HydrophobicContact CG1-CD1 3.79Å; V29-L520 HydrophobicContact CG1-CD2 4.34Å
30F92.5Very high88.6Confident44 Ų4457.3 Ų57.319%0.19327%0.273CS..Hα-helixtrans-64.3-34178.5-69-41.5000112.7L25 E26 I33 R34 E116 L119 R120L25-F30 PolarHBondContact O-N 3.39Å; E26-F30 HydrophobicContact CG-CD2 4.31Å; E26-F30 HydrophobicContact CG-CE2 4.37Å; F30-I33 HydrophobicContact CD1-CD1 4.32Å; F30-I33 PolarHBondContact O-N 3.43Å; F30-R34 WeakPolarHBondContact O-CB 3.4Å; F30-R34 PolarHBondContact O-N 2.86Å; F30-E116 HydrophobicContact CD1-CB 4.44Å; F30-E116 HydrophobicContact CD1-CG 3.79Å; F30-E116 HydrophobicContact CE1-CB 4.37Å; F30-E116 HydrophobicContact CE1-CG 3.75Å; F30-L119 HydrophobicContact CE1-CB 3.97Å; F30-L119 HydrophobicContact CE1-CD1 4.19Å; F30-L119 HydrophobicContact CZ-CB 4.15Å; F30-R120 HydrophobicContact CE1-CG 4.38Å; F30-R120 HydrophobicContact CZ-CG 4Å
31R91.1Very high89.1Confident117 Ų11755.2 Ų55.244%0.44227%0.266SS..Hα-helixtrans-65.2-42174.5-171.3178-175.51684.2112E27 A28 V29 R34 A35E27-R31 WeakPolarHBondContact O-CB 3.34Å; A28-R31 PolarHBondContact O-N 3.35Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.23Å; R31-R34 PolarHBondContact O-N 3.36Å; R31-A35 PolarHBondContact O-N 3.06Å
32N92.6Very high89.4Confident3 Ų356.2 Ų56.22%0.01628%0.275CS..Hα-helixtrans-59.4-49.6174.5-72-22.3000111.2A28 V29 R34 A35 C36 H80 A82 V519 I525A28-N32 WeakPolarHBondContact O-CB 3.2Å; A28-N32 PolarHBondContact O-N 2.92Å; A28-N32 PolarHBondContact O-ND2 2.98Å; A28-N32 PolarHBondContact O-OD1 3.41Å; V29-N32 WeakPolarHBondContact O-CB 3.39Å; V29-N32 PolarHBondContact O-N 2.9Å; N32-R34 VanDerWaalsContact C-N 3.34Å; N32-R34 PolarHBondContact O-N 3.44Å; N32-A35 PolarHBondContact O-N 3.06Å; N32-C36 PolarHBondContact O-N 3.27Å; N32-C36 VanDerWaalsContact O-N 3.09Å; N32-C36 PolarHBondContact O-SG 2.78Å; N32-H80 PolarHBondContact OD1-CE1 3.22Å; N32-A82 HydrophobicContact CB-CB 3.77Å; N32-V519 HydrophobicContact CB-CG1 3.99Å; N32-I525 WeakPolarHBondContact OD1-CD1 3.26Å
33I94Very high89.7Confident1 Ų154.7 Ų54.71%0.00527%0.268CS..Hα-helixtrans-58.9-47.1178.7-68.1166.3000110.2V29 F30 A35 C36 K37 L112 E116 L119 L520V29-I33 HydrophobicContact CG1-CD1 3.92Å; V29-I33 WeakPolarHBondContact O-CG1 3.47Å; V29-I33 PolarHBondContact O-N 3.33Å; F30-I33 HydrophobicContact CD1-CD1 4.32Å; F30-I33 PolarHBondContact O-N 3.43Å; I33-A35 PolarHBondContact O-N 3.22Å; I33-C36 WeakPolarHBondContact O-CB 3.32Å; I33-C36 PolarHBondContact O-N 3.17Å; I33-C36 VanDerWaalsContact O-N 3.16Å; I33-K37 WeakPolarHBondContact O-CB 3.45Å; I33-K37 PolarHBondContact O-N 2.72Å; I33-L112 HydrophobicContact CG1-CB 4.31Å; I33-L112 HydrophobicContact CG1-CD2 4.29Å; I33-L112 HydrophobicContact CG2-CB 4.06Å; I33-L112 WeakPolarHBondContact CG2-O 3.5Å; I33-E116 HydrophobicContact CD1-CB 4.26Å; I33-E116 HydrophobicContact CG2-CB 4.2Å; I33-L119 HydrophobicContact CD1-CD1 4.17Å; I33-L520 HydrophobicContact CD1-CD2 4.08Å; I33-L520 HydrophobicContact CG1-CD2 4.42Å
34R93.8Very high90.1Very high167 Ų16754.2 Ų54.263%0.6326%0.259SS*.Hα-helixtrans-60-45.4179.8-171.3177.2-173.8155.67.2112.7F30 R31 N32 C36 K37 E38F30-R34 WeakPolarHBondContact O-CB 3.4Å; F30-R34 PolarHBondContact O-N 2.86Å; R31-R34 PolarHBondContact O-N 3.36Å; N32-R34 VanDerWaalsContact C-N 3.34Å; N32-R34 PolarHBondContact O-N 3.44Å; R34-C36 VanDerWaalsContact C-N 3.29Å; R34-C36 PolarHBondContact O-N 3.48Å; R34-K37 WeakPolarHBondContact O-CB 3.49Å; R34-K37 PolarHBondContact O-N 3.48Å; R34-E38 IonicContact NE-OE1 3.54Å; R34-E38 WeakPolarHBondContact O-CG 3.19Å; R34-E38 PolarHBondContact O-N 3Å
35A92.6Very high90.5Very high19 Ų1955 Ų5516%0.15726%0.257CS..Hα-helixtrans-61.6-39.1177.100000112R31 N32 I33 L39 H80R31-A35 PolarHBondContact O-N 3.06Å; N32-A35 PolarHBondContact O-N 3.06Å; I33-A35 PolarHBondContact O-N 3.22Å; A35-L39 PolarHBondContact O-N 3.48Å; A35-H80 HydrophobicContact CB-CB 4.21Å
36C93.9Very high91Very high1 Ų150.6 Ų50.61%0.00723%0.234CC..Hα-helixtrans-69.3-38.3176.3-640000112.2N32 I33 R34 L39 S40 I86 L112N32-C36 PolarHBondContact O-N 3.27Å; N32-C36 VanDerWaalsContact O-N 3.09Å; N32-C36 PolarHBondContact O-SG 2.78Å; I33-C36 WeakPolarHBondContact O-CB 3.32Å; I33-C36 PolarHBondContact O-N 3.17Å; I33-C36 VanDerWaalsContact O-N 3.16Å; R34-C36 VanDerWaalsContact C-N 3.29Å; R34-C36 PolarHBondContact O-N 3.48Å; C36-L39 PolarHBondContact O-N 3.04Å; C36-S40 WeakPolarHBondContact O-CB 3.39Å; C36-S40 PolarHBondContact O-N 3.34Å; C36-I86 HydrophobicContact CB-CD1 3.41Å; C36-I86 VanDerWaalsContact CB-CD1 3.41Å; C36-I86 WeakPolarHBondContact SG-CD1 3.44Å; C36-L112 HydrophobicContact CB-CD1 3.49Å; C36-L112 VanDerWaalsContact CB-CD1 3.49Å
37K93.3Very high91.6Very high48 Ų4844.4 Ų44.421%0.20920%0.204CC..Hα-helixtrans-62.5-45.4176.2-176176.8-174.7165.80111.7I33 R34 L39 S40 Q41 E113I33-K37 WeakPolarHBondContact O-CB 3.45Å; I33-K37 PolarHBondContact O-N 2.72Å; R34-K37 WeakPolarHBondContact O-CB 3.49Å; R34-K37 PolarHBondContact O-N 3.48Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 3.06Å; K37-S40 PolarHBondContact O-N 3.45Å; K37-Q41 WeakPolarHBondContact O-CG 3.1Å; K37-Q41 PolarHBondContact O-N 2.88Å; K37-E113 VanDerWaalsContact CE-CD 3.42Å; K37-E113 WeakPolarHBondContact CE-OE1 3.45Å; K37-E113 VanDerWaalsContact NZ-CD 3.29Å; K37-E113 IonicContact NZ-OE1 3.82Å; K37-E113 PolarHBondContact NZ-OE1 3.07Å; K37-E113 IonicContact NZ-OE2 3.12Å
38E91.9Very high92Very high103 Ų10339.2 Ų39.248%0.48118%0.183SC..Hα-helixtrans-61.4-41.5176.9-72.5172-171.100111.6R34 Q41 T42R34-E38 IonicContact NE-OE1 3.54Å; R34-E38 WeakPolarHBondContact O-CG 3.19Å; R34-E38 PolarHBondContact O-N 3Å; E38-Q41 PolarHBondContact O-N 3Å; E38-T42 PolarHBondContact O-N 3.29Å; E38-T42 VanDerWaalsContact O-N 3.11Å; E38-T42 PolarHBondContact O-OG1 2.86Å
39L92Very high92.1Very high21 Ų2140.2 Ų40.211%0.1119%0.189CC..Hα-helixtrans-64.3-42.8175.3-168.468000112.2A35 C36 K37 T42 T43 L73 A83 V87A35-L39 PolarHBondContact O-N 3.48Å; C36-L39 PolarHBondContact O-N 3.04Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 3.06Å; L39-T42 WeakPolarHBondContact O-CB 3.5Å; L39-T42 PolarHBondContact O-N 3.47Å; L39-T43 PolarHBondContact O-N 3.36Å; L39-T43 PolarHBondContact O-OG1 2.85Å; L39-T43 VanDerWaalsContact O-OG1 3.14Å; L39-L73 HydrophobicContact CD1-CD2 3.57Å; L39-L73 HydrophobicContact CD2-CD2 4.02Å; L39-L73 HydrophobicContact CG-CD2 4.01Å; L39-A83 HydrophobicContact CD2-CB 4.19Å; L39-V87 HydrophobicContact CD2-CG2 3.89Å
40S92.6Very high92.2Very high2 Ų242.8 Ų42.81%0.01420%0.203CC..Hα-helixtrans-64.7-41.8177-175.30000111.9C36 K37 T42 T43 R44 L105C36-S40 WeakPolarHBondContact O-CB 3.39Å; C36-S40 PolarHBondContact O-N 3.34Å; K37-S40 PolarHBondContact O-N 3.45Å; S40-T42 VanDerWaalsContact C-N 3.31Å; S40-T42 PolarHBondContact O-N 3.4Å; S40-T43 PolarHBondContact O-N 2.89Å; S40-T43 PolarHBondContact O-OG1 2.9Å; S40-T43 VanDerWaalsContact O-OG1 3.13Å; S40-R44 VanDerWaalsContact O-CB 3.26Å; S40-R44 WeakPolarHBondContact O-CB 3.47Å; S40-R44 PolarHBondContact O-N 3.32Å; S40-L105 PolarHBondContact OG-O 2.88Å; S40-L105 VanDerWaalsContact OG-O 3.05Å
41Q91.4Very high92Very high89 Ų8941.3 Ų41.342%0.41620%0.2SC..Hα-helixtrans-63.1-37.1176.2-74.4176.7-10.800112.5K37 E38 T43K37-Q41 WeakPolarHBondContact O-CG 3.1Å; K37-Q41 PolarHBondContact O-N 2.88Å; E38-Q41 PolarHBondContact O-N 3Å; Q41-T43 VanDerWaalsContact C-N 3.3Å; Q41-T43 PolarHBondContact O-N 2.94Å
42T91.1Very high92Very high70 Ų7041.4 Ų41.443%0.42921%0.207SC..Hα-helixtrans-61.1-41.4177.2-58.10000111.6E38 L39 S40 T45 K54E38-T42 PolarHBondContact O-N 3.29Å; E38-T42 VanDerWaalsContact O-N 3.11Å; E38-T42 PolarHBondContact O-OG1 2.86Å; L39-T42 WeakPolarHBondContact O-CB 3.5Å; L39-T42 PolarHBondContact O-N 3.47Å; S40-T42 VanDerWaalsContact C-N 3.31Å; S40-T42 PolarHBondContact O-N 3.4Å; T42-T45 PolarHBondContact O-OG1 3.22Å; T42-K54 WeakPolarHBondContact O-CE 3.35Å
43T91.1Very high91.9Very high0 Ų045 Ų450%023%0.226CC..Hα-helixtrans-87.4-25.4-178.449.40000113.6L39 S40 Q41 T45 A46 A69 L105L39-T43 PolarHBondContact O-N 3.36Å; L39-T43 PolarHBondContact O-OG1 2.85Å; L39-T43 VanDerWaalsContact O-OG1 3.14Å; S40-T43 PolarHBondContact O-N 2.89Å; S40-T43 PolarHBondContact O-OG1 2.9Å; S40-T43 VanDerWaalsContact O-OG1 3.13Å; Q41-T43 VanDerWaalsContact C-N 3.3Å; Q41-T43 PolarHBondContact O-N 2.94Å; T43-T45 VanDerWaalsContact C-N 3.26Å; T43-T45 PolarHBondContact O-N 3.41Å; T43-A46 WeakPolarHBondContact O-CA 3.06Å; T43-A46 WeakPolarHBondContact O-CB 3.39Å; T43-A46 PolarHBondContact O-N 2.94Å; T43-A69 HydrophobicContact CG2-CB 4.41Å; T43-L105 HydrophobicContact CG2-CD1 3.78Å
44R93.6Very high91.8Very high43 Ų4347.4 Ų47.416%0.16224%0.237CC..Hα-helixtrans-54.6-39.8178-173.1-176.5-58.8-177.2-1.6113.2S40 A46 Y47 V106 E113 A452 N456S40-R44 VanDerWaalsContact O-CB 3.26Å; S40-R44 WeakPolarHBondContact O-CB 3.47Å; S40-R44 PolarHBondContact O-N 3.32Å; R44-A46 PolarHBondContact O-N 3.22Å; R44-Y47 VanDerWaalsContact O-CB 3.28Å; R44-Y47 WeakPolarHBondContact O-CB 3.42Å; R44-Y47 PolarHBondContact O-N 2.8Å; R44-Y47 VanDerWaalsContact O-N 3.16Å; R44-V106 HydrophobicContact CB-CG2 4.32Å; R44-E113 IonicContact NH2-OE2 3.46Å; R44-A452 HydrophobicContact CG-CB 3.69Å; R44-N456 PolarHBondContact O-ND2 3.37Å
45T93.4Very high91.7Very high49 Ų4946.6 Ų46.630%0.30124%0.241SC..THydrogen-bonded Turntrans-71.4-10.3178.353.60000113.8T42 T43 M52 K54T42-T45 PolarHBondContact O-OG1 3.22Å; T43-T45 VanDerWaalsContact C-N 3.26Å; T43-T45 PolarHBondContact O-N 3.41Å; T45-M52 PolarHBondContact O-N 2.81Å; T45-K54 VanDerWaalsContact OG1-CE 3.25Å; T45-K54 WeakPolarHBondContact OG1-CE 3.4Å; T45-K54 PolarHBondContact OG1-NZ 3.47Å
46A91.9Very high91.6Very high2 Ų246.3 Ų46.32%0.01724%0.238CC..THydrogen-bonded Turntrans-99.95.7173.800000112.7T43 R44 N67T43-A46 WeakPolarHBondContact O-CA 3.06Å; T43-A46 WeakPolarHBondContact O-CB 3.39Å; T43-A46 PolarHBondContact O-N 2.94Å; R44-A46 PolarHBondContact O-N 3.22Å; A46-N67 HydrophobicContact CB-CB 4.23Å; A46-N67 WeakPolarHBondContact CB-O 3.16Å
47Y93.1Very high91.4Very high29 Ų2951.7 Ų51.711%0.11427%0.266CS..  trans-85136.2-177-175-116.4000113R44 N102 L449 A452 L453 N456R44-Y47 VanDerWaalsContact O-CB 3.28Å; R44-Y47 WeakPolarHBondContact O-CB 3.42Å; R44-Y47 PolarHBondContact O-N 2.8Å; R44-Y47 VanDerWaalsContact O-N 3.16Å; Y47-N102 HydrophobicContact CD2-CB 3.67Å; Y47-N102 HydrophobicContact CE2-CB 4.31Å; Y47-L449 HydrophobicContact CE1-CB 4.39Å; Y47-L449 HydrophobicContact CE1-CD2 4.13Å; Y47-A452 HydrophobicContact CD1-CB 3.9Å; Y47-L453 HydrophobicContact CD1-CD2 3.72Å; Y47-L453 HydrophobicContact CD1-CG 3.99Å; Y47-L453 HydrophobicContact CE1-CD1 4.28Å; Y47-L453 HydrophobicContact CE1-CD2 3.66Å; Y47-L453 HydrophobicContact CE1-CG 3.68Å; Y47-N456 PolarHBondContact O-ND2 3.44Å
48G90.8Very high91.2Very high10 Ų1050.9 Ų50.910%0.10326%0.263CS..SBendtrans82.2177.4178.500000113.8N50 G51G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 3.06Å; G48-G51 WeakPolarHBondContact O-CA 3.44Å; G48-G51 PolarHBondContact O-N 3.11Å
49P88.9Confident91Very high22 Ų2252.1 Ų52.114%0.14327%0.269CS..THydrogen-bonded Turntrans-66-31.4-173.225.6-34000113.3G51 M169 Y173 I483P49-G51 PolarHBondContact O-N 3.43Å; P49-M169 HydrophobicContact CB-CG 4.22Å; P49-M169 WeakPolarHBondContact CB-O 3.22Å; P49-Y173 HydrophobicContact CB-CD2 3.61Å; P49-Y173 HydrophobicContact CB-CE2 4.21Å; P49-Y173 HydrophobicContact CB-CG 4.31Å; P49-I483 HydrophobicContact CG-CD1 3.22Å
50N90.1Very high90.9Very high59 Ų5957.3 Ų57.332%0.31630%0.296SS..THydrogen-bonded Turntrans-88.321.9172.8-70-20.3000112.7G48 S457 I483G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 3.06Å; N50-S457 PolarHBondContact ND2-OG 2.85Å; N50-I483 WeakPolarHBondContact ND2-CG2 3.47Å
51G88.9Confident90.7Very high12 Ų1265.4 Ų65.412%0.12433%0.334CS..PPolyproline II helixtrans-64.9133.5176.900000112.1G48 P49 N53G48-G51 WeakPolarHBondContact O-CA 3.44Å; G48-G51 PolarHBondContact O-N 3.11Å; P49-G51 PolarHBondContact O-N 3.43Å; G51-N53 PolarHBondContact O-N 3.35Å
52M90.9Very high90.6Very high119 Ų11966.3 Ų66.359%0.58634%0.336SS*.PPolyproline II helixtrans-78.8122.3177.5-63-175.8-175.400111.2T45T45-M52 PolarHBondContact O-N 2.81Å
53N91.1Very high90.5Very high80 Ų8066 Ų6643%0.42833%0.332SS..PPolyproline II helixtrans-57.1141.5172.2-72.9-26.3000112G51 V65 N67G51-N53 PolarHBondContact O-N 3.35Å; N53-V65 HydrophobicContact CB-CG1 3.88Å; N53-N67 VanDerWaalsContact OD1-CB 3.26Å; N53-N67 WeakPolarHBondContact OD1-CB 3.35Å; N53-N67 PolarHBondContact OD1-N 3.48Å; N53-N67 VanDerWaalsContact OD1-N 3.14Å
54K91.6Very high90.4Very high51 Ų5166.9 Ų66.922%0.22234%0.335CS..EExtended strand (participates in β ladder)trans-104.3136174.2-53.9-54.2175.5-164.80109.7T42 T45 V56 V65 T66 I72T42-K54 WeakPolarHBondContact O-CE 3.35Å; T45-K54 VanDerWaalsContact OG1-CE 3.25Å; T45-K54 WeakPolarHBondContact OG1-CE 3.4Å; T45-K54 PolarHBondContact OG1-NZ 3.47Å; K54-V56 HydrophobicContact CB-CG2 4.43Å; K54-V65 WeakPolarHBondContact O-CA 3.43Å; K54-T66 PolarHBondContact N-O 2.78Å; K54-T66 PolarHBondContact O-N 3.41Å; K54-T66 VanDerWaalsContact O-N 3.08Å; K54-I72 HydrophobicContact CB-CD1 3.99Å; K54-I72 HydrophobicContact CB-CG1 4.26Å; K54-I72 HydrophobicContact CG-CD1 3.71Å; K54-I72 HydrophobicContact CG-CG1 4.47Å
55M91.8Very high90.3Very high149 Ų14966.6 Ų66.673%0.73434%0.339SS*.EExtended strand (participates in β ladder)trans-89.9114.1169.4-65.6-169.5-70.800108.5L63 F64 V65M55-L63 HydrophobicContact CB-CD1 4.22Å; M55-F64 CarbonylContact C-O 3.45Å; M55-F64 WeakPolarHBondContact CA-O 3.49Å; M55-V65 HydrophobicContact CG-CG2 4.16Å
56V90.3Very high90.1Very high13 Ų1364.3 Ų64.38%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-115.1120.4177.3-172.10000108.2K54 F64 I72 E75 L76K54-V56 HydrophobicContact CB-CG2 4.43Å; V56-F64 PolarHBondContact N-O 3.44Å; V56-F64 PolarHBondContact O-N 3Å; V56-I72 HydrophobicContact CG2-CG1 4.42Å; V56-I72 HydrophobicContact CG2-CG2 4.31Å; V56-E75 HydrophobicContact CB-CB 4.44Å; V56-E75 HydrophobicContact CG1-CB 3.62Å; V56-L76 HydrophobicContact CG1-CD2 4.43Å
57I90.8Very high90Very high115 Ų11564.5 Ų64.559%0.5933%0.325SS*.EExtended strand (participates in β ladder)trans-103.9117.8173.5-58.9172.4000106.5K62 L63I57-K62 WeakPolarHBondContact CA-O 3.48Å; I57-L63 HydrophobicContact CD1-CD1 4.46Å; I57-L63 HydrophobicContact CG1-CD1 3.78Å
58N88.3Confident89.8Confident30 Ų3063.3 Ų63.316%0.1632%0.321CS..  trans-78.7171.6-179.6-159.7-0.8000111.3L60 E61 K62 E75N58-L60 PolarHBondContact O-N 3.29Å; N58-E61 WeakPolarHBondContact O-CA 3.19Å; N58-E61 PolarHBondContact O-N 3.23Å; N58-K62 PolarHBondContact N-O 3.32Å; N58-K62 VanDerWaalsContact N-O 3.08Å; N58-E75 WeakPolarHBondContact CB-OE2 3.26Å; N58-E75 PolarHBondContact ND2-OE2 2.95Å
59H87.4Confident89.8Confident129 Ų12962.8 Ų62.860%0.59732%0.316SS*.THydrogen-bonded Turntrans-58.6-16.5176.564.3-82.2000114.3
60L90.9Very high89.7Confident131 Ų13161.8 Ų61.869%0.68631%0.309SS*.THydrogen-bonded Turntrans-94.712.7173.5-57.2178000113.3N58 K62N58-L60 PolarHBondContact O-N 3.29Å; L60-K62 PolarHBondContact O-N 3.45Å
61E88.4Confident89.6Confident171 Ų17159 Ų5980%0.79929%0.294SS*.  trans60.514-177.4-57.7-177.616700115N58 L63N58-E61 WeakPolarHBondContact O-CA 3.19Å; N58-E61 PolarHBondContact O-N 3.23Å; E61-L63 PolarHBondContact O-N 3.32Å
62K88.4Confident89.7Confident109 Ų10958.6 Ų58.647%0.47429%0.289SS..  trans-73.6125.6171.5-172.3174.4175.4-173.20109.8I57 N58 L60 F64I57-K62 WeakPolarHBondContact CA-O 3.48Å; N58-K62 PolarHBondContact N-O 3.32Å; N58-K62 VanDerWaalsContact N-O 3.08Å; L60-K62 PolarHBondContact O-N 3.45Å; K62-F64 HydrophobicContact CB-CE2 4.28Å; K62-F64 HydrophobicContact CD-CE1 4.1Å; K62-F64 HydrophobicContact CD-CE2 3.86Å; K62-F64 HydrophobicContact CD-CZ 3.49Å; K62-F64 VanDerWaalsContact CD-CZ 3.49Å; K62-F64 VanDerWaalsContact CE-CZ 3.46Å; K62-F64 HydrophobicContact CG-CD2 4.48Å; K62-F64 HydrophobicContact CG-CE2 3.94Å; K62-F64 HydrophobicContact CG-CZ 4.04Å
63L89.9Confident89.7Confident63 Ų6353.1 Ų53.133%0.3326%0.262SS..EExtended strand (participates in β ladder)trans-86.2129.6175.9178.366.1000110.5M55 I57 E61 V65M55-L63 HydrophobicContact CB-CD1 4.22Å; I57-L63 HydrophobicContact CD1-CD1 4.46Å; I57-L63 HydrophobicContact CG1-CD1 3.78Å; E61-L63 PolarHBondContact O-N 3.32Å; L63-V65 HydrophobicContact CD2-CG2 4.47Å; L63-V65 HydrophobicContact CG-CG2 4.32Å
64F88Confident89.6Confident18 Ų1855.4 Ų55.48%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-119.1138.3167.3-65.8-78.9000109.8M55 V56 K62 E75 R391M55-F64 CarbonylContact C-O 3.45Å; M55-F64 WeakPolarHBondContact CA-O 3.49Å; V56-F64 PolarHBondContact N-O 3.44Å; V56-F64 PolarHBondContact O-N 3Å; K62-F64 HydrophobicContact CB-CE2 4.28Å; K62-F64 HydrophobicContact CD-CE1 4.1Å; K62-F64 HydrophobicContact CD-CE2 3.86Å; K62-F64 HydrophobicContact CD-CZ 3.49Å; K62-F64 VanDerWaalsContact CD-CZ 3.49Å; K62-F64 VanDerWaalsContact CE-CZ 3.46Å; K62-F64 HydrophobicContact CG-CD2 4.48Å; K62-F64 HydrophobicContact CG-CE2 3.94Å; K62-F64 HydrophobicContact CG-CZ 4.04Å; F64-E75 HydrophobicContact CD2-CG 3.93Å; F64-E75 VanDerWaalsContact CE2-CD 3.49Å; F64-E75 HydrophobicContact CE2-CG 4.03Å; F64-E75 VanDerWaalsContact CE2-OE2 3.26Å; F64-E75 WeakPolarHBondContact CE2-OE2 3.15Å; F64-R391 VanDerWaalsContact CD1-NH2 3.31Å
65V91Very high89.5Confident38 Ų3854.9 Ų54.923%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-121.9111.9172.4-173.70000106.9N53 K54 M55 L63 N384N53-V65 HydrophobicContact CB-CG1 3.88Å; K54-V65 WeakPolarHBondContact O-CA 3.43Å; M55-V65 HydrophobicContact CG-CG2 4.16Å; L63-V65 HydrophobicContact CD2-CG2 4.47Å; L63-V65 HydrophobicContact CG-CG2 4.32Å; V65-N384 HydrophobicContact CG2-CB 4.37Å
66T89.3Confident89.4Confident1 Ų151 Ų511%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-159.2154.7-175.9-162.80000112.5K54 D68 T71 I72 D388 R391K54-T66 PolarHBondContact N-O 2.78Å; K54-T66 PolarHBondContact O-N 3.41Å; K54-T66 VanDerWaalsContact O-N 3.08Å; T66-D68 PolarHBondContact OG1-N 2.93Å; T66-T71 HydrophobicContact CG2-CG2 3.97Å; T66-I72 HydrophobicContact CG2-CG1 3.84Å; T66-D388 WeakPolarHBondContact CA-OD1 3.47Å; T66-D388 WeakPolarHBondContact CB-OD1 3.49Å; T66-D388 PolarHBondContact OG1-OD1 2.96Å; T66-R391 VanDerWaalsContact CB-NH1 3.27Å; T66-R391 PolarHBondContact OG1-NH1 3.03Å
67N89.6Confident89.2Confident6 Ų657.2 Ų57.23%0.03227%0.273CS..  trans-100.4-8.8170.652.83.8000112.9A46 N53 A69 N102 K171A46-N67 HydrophobicContact CB-CB 4.23Å; A46-N67 WeakPolarHBondContact CB-O 3.16Å; N53-N67 VanDerWaalsContact OD1-CB 3.26Å; N53-N67 WeakPolarHBondContact OD1-CB 3.35Å; N53-N67 PolarHBondContact OD1-N 3.48Å; N53-N67 VanDerWaalsContact OD1-N 3.14Å; N67-A69 PolarHBondContact O-N 2.9Å; N67-N102 PolarHBondContact O-ND2 2.88Å; N67-K171 WeakPolarHBondContact ND2-CA 3.5Å; N67-K171 PolarHBondContact ND2-O 2.97Å
68D89.3Confident89Confident3 Ų353.1 Ų53.12%0.01625%0.253CS..  trans-70.1120.3179.1172.543.3000112T66 A70 T71 I72 R74 T101 K171T66-D68 PolarHBondContact OG1-N 2.93Å; D68-A70 PolarHBondContact O-N 3.09Å; D68-A70 PolarHBondContact OD1-N 3.45Å; D68-T71 PolarHBondContact O-N 3Å; D68-T71 WeakPolarHBondContact OD2-CB 3.4Å; D68-T71 PolarHBondContact OD2-N 2.75Å; D68-T71 PolarHBondContact OD2-OG1 3.07Å; D68-I72 WeakPolarHBondContact O-CD1 3.37Å; D68-I72 VanDerWaalsContact O-CG1 3.25Å; D68-I72 WeakPolarHBondContact O-CG1 3.42Å; D68-I72 PolarHBondContact O-N 3.44Å; D68-R74 IonicContact OD2-NH2 3.11Å; D68-T101 PolarHBondContact OD1-OG1 3.31Å; D68-K171 IonicContact OD1-NZ 2.78Å
69A90Very high89Confident0 Ų059.6 Ų59.60%028%0.283CS..Hα-helixtrans-59.2-44.8179.700000112.9T43 N67 T71 I72 L73 N102 L105T43-A69 HydrophobicContact CG2-CB 4.41Å; N67-A69 PolarHBondContact O-N 2.9Å; A69-T71 VanDerWaalsContact C-N 3.27Å; A69-T71 PolarHBondContact O-N 2.87Å; A69-I72 PolarHBondContact O-N 2.92Å; A69-L73 WeakPolarHBondContact O-CB 3.24Å; A69-L73 VanDerWaalsContact O-CG 3.26Å; A69-L73 WeakPolarHBondContact O-CG 3.23Å; A69-L73 PolarHBondContact O-N 2.83Å; A69-N102 HydrophobicContact CB-CB 4.24Å; A69-N102 VanDerWaalsContact CB-CG 3.46Å; A69-N102 WeakPolarHBondContact CB-OD1 3.46Å; A69-L105 HydrophobicContact CB-CD1 3.42Å; A69-L105 VanDerWaalsContact CB-CD1 3.42Å
70A87.8Confident89.2Confident0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-64.7-37.3-175.900000110.8D68 R74 E94 T101D68-A70 PolarHBondContact O-N 3.09Å; D68-A70 PolarHBondContact OD1-N 3.45Å; A70-R74 VanDerWaalsContact O-CG 3.25Å; A70-R74 WeakPolarHBondContact O-CG 3.49Å; A70-R74 PolarHBondContact O-N 2.9Å; A70-R74 VanDerWaalsContact O-N 3.12Å; A70-R74 PolarHBondContact O-NE 2.86Å; A70-R74 VanDerWaalsContact O-NE 3.13Å; A70-E94 HydrophobicContact CB-CG 4.38Å; A70-T101 HydrophobicContact CB-CG2 3.76Å
71T87.7Confident89.2Confident2 Ų251.7 Ų51.71%0.01225%0.247CC..Hα-helixtrans-67.4-48.1173.1-56.10000111.9T66 D68 A69 L73 R74 E75 R391T66-T71 HydrophobicContact CG2-CG2 3.97Å; D68-T71 PolarHBondContact O-N 3Å; D68-T71 WeakPolarHBondContact OD2-CB 3.4Å; D68-T71 PolarHBondContact OD2-N 2.75Å; D68-T71 PolarHBondContact OD2-OG1 3.07Å; A69-T71 VanDerWaalsContact C-N 3.27Å; A69-T71 PolarHBondContact O-N 2.87Å; T71-L73 PolarHBondContact O-N 3.03Å; T71-R74 PolarHBondContact O-N 3.06Å; T71-R74 VanDerWaalsContact O-N 3.15Å; T71-R74 PolarHBondContact OG1-NH2 2.93Å; T71-E75 WeakPolarHBondContact O-CG 3.25Å; T71-E75 PolarHBondContact O-N 3.3Å; T71-R391 VanDerWaalsContact CG2-CZ 3.42Å
72I91.6Very high89.3Confident2 Ų244 Ų441%0.0121%0.213CC..Hα-helixtrans-54.7-45.7178-67.4161.3000110.2K54 V56 T66 D68 A69 R74 E75 L76K54-I72 HydrophobicContact CB-CD1 3.99Å; K54-I72 HydrophobicContact CB-CG1 4.26Å; K54-I72 HydrophobicContact CG-CD1 3.71Å; K54-I72 HydrophobicContact CG-CG1 4.47Å; V56-I72 HydrophobicContact CG2-CG1 4.42Å; V56-I72 HydrophobicContact CG2-CG2 4.31Å; T66-I72 HydrophobicContact CG2-CG1 3.84Å; D68-I72 WeakPolarHBondContact O-CD1 3.37Å; D68-I72 VanDerWaalsContact O-CG1 3.25Å; D68-I72 WeakPolarHBondContact O-CG1 3.42Å; D68-I72 PolarHBondContact O-N 3.44Å; A69-I72 PolarHBondContact O-N 2.92Å; I72-R74 PolarHBondContact O-N 3.02Å; I72-E75 PolarHBondContact O-N 3.35Å; I72-L76 HydrophobicContact CG2-CD1 3.58Å; I72-L76 HydrophobicContact CG2-CG 4.25Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.18Å
73L90.9Very high89.5Confident5 Ų539 Ų393%0.02619%0.192CC..Hα-helixtrans-72.5-25.8-178.2-66.4-179.7000114.6L39 A69 T71 V87 L105L39-L73 HydrophobicContact CD1-CD2 3.57Å; L39-L73 HydrophobicContact CD2-CD2 4.02Å; L39-L73 HydrophobicContact CG-CD2 4.01Å; A69-L73 WeakPolarHBondContact O-CB 3.24Å; A69-L73 VanDerWaalsContact O-CG 3.26Å; A69-L73 WeakPolarHBondContact O-CG 3.23Å; A69-L73 PolarHBondContact O-N 2.83Å; T71-L73 PolarHBondContact O-N 3.03Å; L73-V87 HydrophobicContact CB-CG1 4.08Å; L73-V87 HydrophobicContact CB-CG2 4.41Å; L73-V87 HydrophobicContact CD1-CB 4.43Å; L73-V87 HydrophobicContact CD1-CG1 4.39Å; L73-V87 HydrophobicContact CD1-CG2 4.01Å; L73-V87 HydrophobicContact CD2-CG2 4.12Å; L73-V87 HydrophobicContact CG-CG2 4.42Å; L73-L105 HydrophobicContact CD1-CD1 3.43Å; L73-L105 VanDerWaalsContact CD1-CD1 3.43Å; L73-L105 HydrophobicContact CD1-CD2 3.67Å; L73-L105 HydrophobicContact CD1-CG 4.15Å; L73-L105 HydrophobicContact CG-CD1 4.27Å
74R89.1Confident89.6Confident128 Ų12840.9 Ų40.948%0.48320%0.197SC..Hα-helixtrans-68.4-41.4173.2-80178.1-77.5173.2-5.3112.2D68 A70 T71 I72 H91D68-R74 IonicContact OD2-NH2 3.11Å; A70-R74 VanDerWaalsContact O-CG 3.25Å; A70-R74 WeakPolarHBondContact O-CG 3.49Å; A70-R74 PolarHBondContact O-N 2.9Å; A70-R74 VanDerWaalsContact O-N 3.12Å; A70-R74 PolarHBondContact O-NE 2.86Å; A70-R74 VanDerWaalsContact O-NE 3.13Å; T71-R74 PolarHBondContact O-N 3.06Å; T71-R74 VanDerWaalsContact O-N 3.15Å; T71-R74 PolarHBondContact OG1-NH2 2.93Å; I72-R74 PolarHBondContact O-N 3.02Å; R74-H91 WeakPolarHBondContact CG-CE1 3.42Å
75E89.8Confident89.8Confident40 Ų4043.8 Ų43.819%0.18721%0.212CC..Hα-helixtrans-82.8-19.9-176.3-58.3-60.3140.900111.6V56 N58 F64 T71 I72V56-E75 HydrophobicContact CB-CB 4.44Å; V56-E75 HydrophobicContact CG1-CB 3.62Å; N58-E75 WeakPolarHBondContact CB-OE2 3.26Å; N58-E75 PolarHBondContact ND2-OE2 2.95Å; F64-E75 HydrophobicContact CD2-CG 3.93Å; F64-E75 VanDerWaalsContact CE2-CD 3.49Å; F64-E75 HydrophobicContact CE2-CG 4.03Å; F64-E75 VanDerWaalsContact CE2-OE2 3.26Å; F64-E75 WeakPolarHBondContact CE2-OE2 3.15Å; T71-E75 WeakPolarHBondContact O-CG 3.25Å; T71-E75 PolarHBondContact O-N 3.3Å; I72-E75 PolarHBondContact O-N 3.35Å
76L88Confident89.9Confident68 Ų6842.2 Ų42.236%0.35620%0.202SC..SBendtrans-82.5128.7174.7-73.9174.7000112.8V56 I72 V78V56-L76 HydrophobicContact CG1-CD2 4.43Å; I72-L76 HydrophobicContact CG2-CD1 3.58Å; I72-L76 HydrophobicContact CG2-CG 4.25Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.18Å; L76-V78 HydrophobicContact CB-CG2 4.46Å; L76-V78 PolarHBondContact O-N 3.4Å
77E86.1Confident90.1Very high143 Ų14342.8 Ų42.867%0.66821%0.206SC*.  trans-78.281172.5-65.8-173.5177.200111.9Q79E77-Q79 PolarHBondContact O-N 2.89Å; E77-Q79 VanDerWaalsContact O-N 3.15Å
78V87.9Confident90.2Very high28 Ų2847.2 Ų47.217%0.1723%0.227CC..  trans-70.2110.8177.6-178.50000110.4L76 A83 K84 V87L76-V78 HydrophobicContact CB-CG2 4.46Å; L76-V78 PolarHBondContact O-N 3.4Å; V78-A83 HydrophobicContact CG1-CB 3.56Å; V78-K84 HydrophobicContact CB-CG 4.38Å; V78-K84 HydrophobicContact CG1-CG 4.04Å; V78-K84 WeakPolarHBondContact O-CE 3.48Å; V78-V87 HydrophobicContact CG2-CG2 4.01Å
79Q88.2Confident90.4Very high167 Ų16747.4 Ų47.478%0.7823%0.23SC*.  trans-83.6-35.3-179.9-64.1-173.20.900113.2E77E77-Q79 PolarHBondContact O-N 2.89Å; E77-Q79 VanDerWaalsContact O-N 3.15Å
80H90.6Very high90.6Very high40 Ų4047.4 Ų47.419%0.18523%0.23CC..  trans-73.7124.8-171-167-81.9000112.1N32 A35 A82 A83 K84N32-H80 PolarHBondContact OD1-CE1 3.22Å; A35-H80 HydrophobicContact CB-CB 4.21Å; H80-A82 PolarHBondContact ND1-N 3.43Å; H80-A82 PolarHBondContact O-N 2.97Å; H80-A83 HydrophobicContact CB-CB 4.1Å; H80-A83 PolarHBondContact O-N 3.29Å; H80-A83 VanDerWaalsContact O-N 3.14Å; H80-K84 PolarHBondContact O-N 2.79Å; H80-K84 VanDerWaalsContact O-N 3.09Å
81P90.9Very high90.8Very high53 Ų5350 Ų5034%0.34424%0.242SC..Hα-helixtrans-59.1-42.8-174.6-2634.3000114.4A83 K84 M85 I525 M527P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 2.81Å; P81-K84 WeakPolarHBondContact O-CB 3.49Å; P81-K84 PolarHBondContact O-N 3.45Å; P81-M85 PolarHBondContact O-N 3.19Å; P81-I525 HydrophobicContact CG-CG2 4.43Å; P81-M527 HydrophobicContact CG-SD 4.28Å
82A91.9Very high91.1Very high9 Ų955.3 Ų55.37%0.07427%0.268CS..Hα-helixtrans-63.5-36.6178.600000112.4N32 H80 K84 M85 V519N32-A82 HydrophobicContact CB-CB 3.77Å; H80-A82 PolarHBondContact ND1-N 3.43Å; H80-A82 PolarHBondContact O-N 2.97Å; A82-K84 VanDerWaalsContact C-N 3.34Å; A82-M85 WeakPolarHBondContact O-CB 3.36Å; A82-M85 PolarHBondContact O-N 3.41Å; A82-V519 HydrophobicContact CB-CG1 4.06Å; A82-V519 HydrophobicContact CB-CG2 4.31Å
83A92.4Very high91.2Very high4 Ų455.2 Ų55.23%0.03327%0.267CS..Hα-helixtrans-68.9-35.9177.300000110.8L39 V78 H80 P81 M85 I86 V87L39-A83 HydrophobicContact CD2-CB 4.19Å; V78-A83 HydrophobicContact CG1-CB 3.56Å; H80-A83 HydrophobicContact CB-CB 4.1Å; H80-A83 PolarHBondContact O-N 3.29Å; H80-A83 VanDerWaalsContact O-N 3.14Å; P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 2.81Å; A83-M85 VanDerWaalsContact C-N 3.25Å; A83-M85 PolarHBondContact O-N 3.38Å; A83-I86 PolarHBondContact O-N 3.48Å; A83-I86 VanDerWaalsContact O-N 3.15Å; A83-V87 WeakPolarHBondContact O-CG2 3.48Å; A83-V87 PolarHBondContact O-N 3.49Å
84K92.3Very high91.2Very high104 Ų10456.9 Ų56.945%0.45228%0.275SS..Hα-helixtrans-59.4-33.8172.6-68.1-173.8177.1-173.70112.9V78 H80 P81 A82 I86 V87 M88V78-K84 HydrophobicContact CB-CG 4.38Å; V78-K84 HydrophobicContact CG1-CG 4.04Å; V78-K84 WeakPolarHBondContact O-CE 3.48Å; H80-K84 PolarHBondContact O-N 2.79Å; H80-K84 VanDerWaalsContact O-N 3.09Å; P81-K84 WeakPolarHBondContact O-CB 3.49Å; P81-K84 PolarHBondContact O-N 3.45Å; A82-K84 VanDerWaalsContact C-N 3.34Å; K84-I86 VanDerWaalsContact C-N 3.33Å; K84-V87 PolarHBondContact O-N 2.85Å; K84-M88 HydrophobicContact CB-CE 4.15Å; K84-M88 WeakPolarHBondContact O-CB 3.3Å; K84-M88 WeakPolarHBondContact O-CE 3.12Å; K84-M88 WeakPolarHBondContact O-CG 3.26Å; K84-M88 PolarHBondContact O-N 3.47Å
85M91.8Very high91.3Very high79 Ų7958 Ų5839%0.38929%0.286SS..Hα-helixtrans-62.4-41.9175.7-63.1-59.6-64.500111.8P81 A82 A83 M88 A89 V519P81-M85 PolarHBondContact O-N 3.19Å; A82-M85 WeakPolarHBondContact O-CB 3.36Å; A82-M85 PolarHBondContact O-N 3.41Å; A83-M85 VanDerWaalsContact C-N 3.25Å; A83-M85 PolarHBondContact O-N 3.38Å; M85-M88 PolarHBondContact O-N 3.36Å; M85-M88 HydrophobicContact SD-CE 3.57Å; M85-M88 VanDerWaalsContact SD-CE 3.57Å; M85-A89 PolarHBondContact O-N 3.14Å; M85-V519 HydrophobicContact CB-CG2 4.15Å
86I92.7Very high91.2Very high4 Ų459.7 Ų59.72%0.02129%0.293CS..Hα-helixtrans-68.2-40.9175.8-64.5-175000111.1C36 A83 K84 M88 A89 S90 L105 A108 L112 V519C36-I86 HydrophobicContact CB-CD1 3.41Å; C36-I86 VanDerWaalsContact CB-CD1 3.41Å; C36-I86 WeakPolarHBondContact SG-CD1 3.44Å; A83-I86 PolarHBondContact O-N 3.48Å; A83-I86 VanDerWaalsContact O-N 3.15Å; K84-I86 VanDerWaalsContact C-N 3.33Å; I86-M88 VanDerWaalsContact C-N 3.32Å; I86-M88 PolarHBondContact O-N 3.48Å; I86-A89 WeakPolarHBondContact O-CB 3.34Å; I86-A89 PolarHBondContact O-N 2.78Å; I86-A89 VanDerWaalsContact O-N 3.16Å; I86-S90 PolarHBondContact O-N 3.49Å; I86-L105 HydrophobicContact CG2-CD2 3.38Å; I86-A108 HydrophobicContact CD1-CB 4.39Å; I86-A108 HydrophobicContact CG2-CB 4.49Å; I86-L112 HydrophobicContact CD1-CD1 3.78Å; I86-V519 HydrophobicContact CG1-CG2 4.44Å
87V93.8Very high91.2Very high14 Ų1456.5 Ų56.59%0.08528%0.277CS..Hα-helixtrans-58.7-45.2173.8175.90000110.8L39 L73 V78 A83 K84 A89 S90 H91L39-V87 HydrophobicContact CD2-CG2 3.89Å; L73-V87 HydrophobicContact CB-CG1 4.08Å; L73-V87 HydrophobicContact CB-CG2 4.41Å; L73-V87 HydrophobicContact CD1-CB 4.43Å; L73-V87 HydrophobicContact CD1-CG1 4.39Å; L73-V87 HydrophobicContact CD1-CG2 4.01Å; L73-V87 HydrophobicContact CD2-CG2 4.12Å; L73-V87 HydrophobicContact CG-CG2 4.42Å; V78-V87 HydrophobicContact CG2-CG2 4.01Å; A83-V87 WeakPolarHBondContact O-CG2 3.48Å; A83-V87 PolarHBondContact O-N 3.49Å; K84-V87 PolarHBondContact O-N 2.85Å; V87-A89 VanDerWaalsContact C-N 3.3Å; V87-A89 PolarHBondContact O-N 2.78Å; V87-S90 PolarHBondContact O-N 3.04Å; V87-S90 VanDerWaalsContact O-N 3.15Å; V87-S90 PolarHBondContact O-OG 3.11Å; V87-H91 PolarHBondContact O-N 3.11Å
88M92.3Very high91.2Very high98 Ų9849.7 Ų49.748%0.48325%0.245SC..Hα-helixtrans-60.7-38.3176.2-76.2-175.4-91.800112.2K84 M85 I86 H91 M92K84-M88 HydrophobicContact CB-CE 4.15Å; K84-M88 WeakPolarHBondContact O-CB 3.3Å; K84-M88 WeakPolarHBondContact O-CE 3.12Å; K84-M88 WeakPolarHBondContact O-CG 3.26Å; K84-M88 PolarHBondContact O-N 3.47Å; M85-M88 PolarHBondContact O-N 3.36Å; M85-M88 HydrophobicContact SD-CE 3.57Å; M85-M88 VanDerWaalsContact SD-CE 3.57Å; I86-M88 VanDerWaalsContact C-N 3.32Å; I86-M88 PolarHBondContact O-N 3.48Å; M88-H91 WeakPolarHBondContact O-CB 3.3Å; M88-H91 PolarHBondContact O-N 3.03Å; M88-M92 WeakPolarHBondContact O-CG 3.38Å; M88-M92 PolarHBondContact O-N 2.72Å
89A93.6Very high91.2Very high8 Ų849.6 Ų49.67%0.06624%0.244CC..Hα-helixtrans-64.1-40.6174.700000112.3M85 I86 V87 H91 M92 Q93 V104 A515M85-A89 PolarHBondContact O-N 3.14Å; I86-A89 WeakPolarHBondContact O-CB 3.34Å; I86-A89 PolarHBondContact O-N 2.78Å; I86-A89 VanDerWaalsContact O-N 3.16Å; V87-A89 VanDerWaalsContact C-N 3.3Å; V87-A89 PolarHBondContact O-N 2.78Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 3.37Å; A89-M92 PolarHBondContact O-N 3.05Å; A89-Q93 PolarHBondContact O-N 2.93Å; A89-Q93 VanDerWaalsContact O-N 3.1Å; A89-V104 HydrophobicContact CB-CG1 4.12Å; A89-A515 HydrophobicContact CB-CB 3.66Å
90S93.3Very high91.3Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-63.3-35.7173.774.40000112.4I86 V87 Q93 E94I86-S90 PolarHBondContact O-N 3.49Å; V87-S90 PolarHBondContact O-N 3.04Å; V87-S90 VanDerWaalsContact O-N 3.15Å; V87-S90 PolarHBondContact O-OG 3.11Å; S90-Q93 PolarHBondContact O-N 3.42Å; S90-E94 PolarHBondContact O-N 2.93Å
91H92.7Very high91.4Very high54 Ų5440.4 Ų40.425%0.2520%0.203CC..Hα-helixtrans-67.2-37.9174-81.9-41.2000113.7R74 V87 M88 A89 Q93 E94 Q95R74-H91 WeakPolarHBondContact CG-CE1 3.42Å; V87-H91 PolarHBondContact O-N 3.11Å; M88-H91 WeakPolarHBondContact O-CB 3.3Å; M88-H91 PolarHBondContact O-N 3.03Å; A89-H91 VanDerWaalsContact C-N 3.29Å; A89-H91 PolarHBondContact O-N 3.37Å; H91-Q93 VanDerWaalsContact C-N 3.31Å; H91-E94 PolarHBondContact O-N 2.82Å; H91-Q95 WeakPolarHBondContact O-CG 3.48Å; H91-Q95 PolarHBondContact O-N 3.12Å
92M93.7Very high91.5Very high113 Ų11338.8 Ų38.856%0.55719%0.192SC*.Hα-helixtrans-65.3-38.5175.4-70179.4121.200111.4M88 A89 Q95 E96 L511M88-M92 WeakPolarHBondContact O-CG 3.38Å; M88-M92 PolarHBondContact O-N 2.72Å; A89-M92 PolarHBondContact O-N 3.05Å; M92-Q95 PolarHBondContact O-N 3.26Å; M92-E96 PolarHBondContact O-N 3Å; M92-E96 VanDerWaalsContact O-N 3.1Å; M92-L511 HydrophobicContact CB-CD1 3.97Å; M92-L511 HydrophobicContact CB-CD2 4.22Å; M92-L511 HydrophobicContact SD-CD2 4.38Å
93Q93.8Very high91.6Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-62.9-46.3175.1-179.366.51900111.6A89 S90 H91 Q95 E96 V97 G98 D99 V104 V504 L511A89-Q93 PolarHBondContact O-N 2.93Å; A89-Q93 VanDerWaalsContact O-N 3.1Å; S90-Q93 PolarHBondContact O-N 3.42Å; H91-Q93 VanDerWaalsContact C-N 3.31Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.38Å; Q93-E96 PolarHBondContact O-N 3.34Å; Q93-V97 PolarHBondContact O-N 3.01Å; Q93-G98 PolarHBondContact O-N 3.32Å; Q93-D99 VanDerWaalsContact CG-O 3.29Å; Q93-D99 WeakPolarHBondContact CG-O 3.49Å; Q93-D99 PolarHBondContact NE2-O 3.28Å; Q93-V104 HydrophobicContact CB-CG2 4Å; Q93-V104 HydrophobicContact CG-CG2 3.91Å; Q93-V504 PolarHBondContact NE2-O 3.31Å; Q93-L511 HydrophobicContact CB-CD1 3.91Å
94E91.3Very high91.8Very high40 Ų4038.6 Ų38.619%0.18719%0.189CC..Hα-helixtrans-58.5-40.4176.2-175.468.8179.900112.1A70 S90 H91 G98 T101A70-E94 HydrophobicContact CB-CG 4.38Å; S90-E94 PolarHBondContact O-N 2.93Å; H91-E94 PolarHBondContact O-N 2.82Å; E94-G98 WeakPolarHBondContact O-CA 3.5Å; E94-G98 PolarHBondContact O-N 3.04Å; E94-T101 HydrophobicContact CB-CG2 4.02Å; E94-T101 WeakPolarHBondContact OE2-CG2 3.44Å
95Q90.4Very high91.9Very high152 Ų15233.7 Ų33.771%0.7117%0.168SC*.Hα-helixtrans-72.1-36.9-179.4-73.8178.33.700113.5H91 M92 Q93H91-Q95 WeakPolarHBondContact O-CG 3.48Å; H91-Q95 PolarHBondContact O-N 3.12Å; M92-Q95 PolarHBondContact O-N 3.26Å; Q93-Q95 VanDerWaalsContact C-N 3.3Å; Q93-Q95 PolarHBondContact O-N 3.38Å
96E88.3Confident92.1Very high75 Ų7530 Ų3035%0.3515%0.149SC..Hα-helixtrans-83.1-47-175.4-170.856.1-141.800112.2M92 Q93 R405 W507M92-E96 PolarHBondContact O-N 3Å; M92-E96 VanDerWaalsContact O-N 3.1Å; Q93-E96 PolarHBondContact O-N 3.34Å; E96-R405 IonicContact OE1-NH1 3.99Å; E96-R405 PolarHBondContact OE1-NH1 3.17Å; E96-W507 HydrophobicContact CG-CD2 4.36Å; E96-W507 HydrophobicContact CG-CG 4.4Å
97V88.1Confident92.3Very high2 Ų229.8 Ų29.81%0.01215%0.148CC..THydrogen-bonded Turntrans-112.3-36-171.8-177.40000111.5Q93 D99 V402 V504 W507Q93-V97 PolarHBondContact O-N 3.01Å; V97-D99 VanDerWaalsContact C-N 3.27Å; V97-V402 HydrophobicContact CB-CG2 4.25Å; V97-V402 HydrophobicContact CG1-CG2 3.73Å; V97-V402 WeakPolarHBondContact O-CG2 3.24Å; V97-V504 HydrophobicContact CG1-CB 3.89Å; V97-V504 HydrophobicContact CG1-CG1 4.11Å; V97-V504 HydrophobicContact CG1-CG2 3.29Å; V97-W507 HydrophobicContact CG2-CB 4.15Å; V97-W507 HydrophobicContact CG2-CG 4.22Å
98G85.1Confident92.4Very high0 Ų029.1 Ų29.10%014%0.144CC..SBendtrans73.116.9-177.400000114.7Q93 E94Q93-G98 PolarHBondContact O-N 3.32Å; E94-G98 WeakPolarHBondContact O-CA 3.5Å; E94-G98 PolarHBondContact O-N 3.04Å
99D88.3Confident92.6Very high26 Ų2624.5 Ų24.514%0.13912%0.122CC..SBendtrans-152.4165.9170.4-174.320.1000109.1Q93 V97Q93-D99 VanDerWaalsContact CG-O 3.29Å; Q93-D99 WeakPolarHBondContact CG-O 3.49Å; Q93-D99 PolarHBondContact NE2-O 3.28Å; V97-D99 VanDerWaalsContact C-N 3.27Å
100G89.8Confident92.7Very high9 Ų924.3 Ų24.39%0.09312%0.12CC..  trans84.717.1178.400000113.9F103 V104G100-F103 WeakPolarHBondContact O-CB 3.47Å; G100-F103 PolarHBondContact O-N 3.37Å; G100-V104 PolarHBondContact O-N 3.42Å; G100-V104 VanDerWaalsContact O-N 3.16Å
101T92.6Very high92.9Very high4 Ų424.3 Ų24.33%0.02512%0.12CC..Hα-helixtrans-62.9-47.4-179.658.70000111.6D68 A70 E94 F103 V104 L105D68-T101 PolarHBondContact OD1-OG1 3.31Å; A70-T101 HydrophobicContact CB-CG2 3.76Å; E94-T101 HydrophobicContact CB-CG2 4.02Å; E94-T101 WeakPolarHBondContact OE2-CG2 3.44Å; T101-F103 VanDerWaalsContact C-N 3.32Å; T101-F103 PolarHBondContact O-N 2.95Å; T101-V104 PolarHBondContact O-N 2.86Å; T101-L105 WeakPolarHBondContact O-CG 3.38Å; T101-L105 PolarHBondContact O-N 3.4Å
102N93.1Very high93.1Very high20 Ų2021.8 Ų21.811%0.10711%0.108CC..Hα-helixtrans-61.6-39175-86.8-44.3000111.9Y47 N67 A69 V104 L105 V106Y47-N102 HydrophobicContact CD2-CB 3.67Å; Y47-N102 HydrophobicContact CE2-CB 4.31Å; N67-N102 PolarHBondContact O-ND2 2.88Å; A69-N102 HydrophobicContact CB-CB 4.24Å; A69-N102 VanDerWaalsContact CB-CG 3.46Å; A69-N102 WeakPolarHBondContact CB-OD1 3.46Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 2.83Å; N102-L105 PolarHBondContact O-N 3.42Å; N102-V106 WeakPolarHBondContact O-CG2 3.36Å; N102-V106 PolarHBondContact O-N 3.36Å
103F94.7Very high93.2Very high8 Ų818.9 Ų18.94%0.0359%0.094CC..Hα-helixtrans-57.6-46.3177.7172.8-82.6000111.1G100 T101 L105 V106 F107 E417 L449 K505 I509G100-F103 WeakPolarHBondContact O-CB 3.47Å; G100-F103 PolarHBondContact O-N 3.37Å; T101-F103 VanDerWaalsContact C-N 3.32Å; T101-F103 PolarHBondContact O-N 2.95Å; F103-L105 VanDerWaalsContact C-N 3.33Å; F103-L105 PolarHBondContact O-N 2.79Å; F103-V106 PolarHBondContact O-N 3.11Å; F103-F107 VanDerWaalsContact O-CB 3.24Å; F103-F107 WeakPolarHBondContact O-CB 3.35Å; F103-F107 PolarHBondContact O-N 3.28Å; F103-E417 HydrophobicContact CE2-CG 4.41Å; F103-L449 HydrophobicContact CD2-CD1 3.54Å; F103-L449 HydrophobicContact CD2-CD2 3.87Å; F103-L449 HydrophobicContact CD2-CG 4.36Å; F103-L449 HydrophobicContact CE2-CD1 3.18Å; F103-L449 HydrophobicContact CE2-CD2 4.38Å; F103-L449 HydrophobicContact CE2-CG 4.4Å; F103-L449 HydrophobicContact CG-CD2 4.47Å; F103-L449 HydrophobicContact CZ-CD1 3.96Å; F103-K505 HydrophobicContact CD2-CD 4.46Å; F103-K505 HydrophobicContact CE2-CD 4.05Å; F103-K505 HydrophobicContact CZ-CD 4.43Å; F103-I509 HydrophobicContact CE1-CG1 3.9Å; F103-I509 HydrophobicContact CZ-CG1 3.73Å
104V95.8Very high93.3Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-60.1-42.6179.1172.20000111.5A89 Q93 G100 T101 N102 A108 A512A89-V104 HydrophobicContact CB-CG1 4.12Å; Q93-V104 HydrophobicContact CB-CG2 4Å; Q93-V104 HydrophobicContact CG-CG2 3.91Å; G100-V104 PolarHBondContact O-N 3.42Å; G100-V104 VanDerWaalsContact O-N 3.16Å; T101-V104 PolarHBondContact O-N 2.86Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 2.83Å; V104-A108 WeakPolarHBondContact O-CB 3.39Å; V104-A108 PolarHBondContact O-N 3.3Å; V104-A512 HydrophobicContact CG1-CB 4.11Å
105L95Very high93.5Very high2 Ų217.7 Ų17.71%0.019%0.089CC..Hα-helixtrans-70.7-43-178.6-62.5177000113.1S40 T43 A69 L73 I86 T101 N102 F103 G109S40-L105 PolarHBondContact OG-O 2.88Å; S40-L105 VanDerWaalsContact OG-O 3.05Å; T43-L105 HydrophobicContact CG2-CD1 3.78Å; A69-L105 HydrophobicContact CB-CD1 3.42Å; A69-L105 VanDerWaalsContact CB-CD1 3.42Å; L73-L105 HydrophobicContact CD1-CD1 3.43Å; L73-L105 VanDerWaalsContact CD1-CD1 3.43Å; L73-L105 HydrophobicContact CD1-CD2 3.67Å; L73-L105 HydrophobicContact CD1-CG 4.15Å; L73-L105 HydrophobicContact CG-CD1 4.27Å; I86-L105 HydrophobicContact CG2-CD2 3.38Å; T101-L105 WeakPolarHBondContact O-CG 3.38Å; T101-L105 PolarHBondContact O-N 3.4Å; N102-L105 PolarHBondContact O-N 3.42Å; F103-L105 VanDerWaalsContact C-N 3.33Å; F103-L105 PolarHBondContact O-N 2.79Å; L105-G109 PolarHBondContact O-N 3.01Å
106V95.8Very high93.7Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-67.6-45.8179.4175.80000109.7R44 N102 F103 G109 A110 A448 L449R44-V106 HydrophobicContact CB-CG2 4.32Å; N102-V106 WeakPolarHBondContact O-CG2 3.36Å; N102-V106 PolarHBondContact O-N 3.36Å; F103-V106 PolarHBondContact O-N 3.11Å; V106-G109 PolarHBondContact O-N 2.9Å; V106-A110 WeakPolarHBondContact O-CB 3.48Å; V106-A110 PolarHBondContact O-N 2.85Å; V106-A448 HydrophobicContact CG1-CB 4.5Å; V106-L449 HydrophobicContact CB-CD2 3.91Å; V106-L449 HydrophobicContact CG1-CD2 3.74Å; V106-L449 HydrophobicContact CG1-CG 4.47Å
107F96.9Very high94Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-68.7-44.1-179.5-170.4-122.3000112.4F103 G109 A110 L111 F442 A445 F446 I509 A512 T513F103-F107 VanDerWaalsContact O-CB 3.24Å; F103-F107 WeakPolarHBondContact O-CB 3.35Å; F103-F107 PolarHBondContact O-N 3.28Å; F107-G109 VanDerWaalsContact C-N 3.31Å; F107-G109 PolarHBondContact O-N 3.29Å; F107-A110 PolarHBondContact O-N 3.01Å; F107-L111 HydrophobicContact CD1-CD1 3.99Å; F107-L111 HydrophobicContact CE1-CD1 3.71Å; F107-L111 HydrophobicContact CE1-CG 4.31Å; F107-L111 HydrophobicContact CE2-CD2 4.44Å; F107-L111 HydrophobicContact CE2-CG 4.38Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.17Å; F107-L111 HydrophobicContact CZ-CG 4.2Å; F107-L111 WeakPolarHBondContact O-CG 3.2Å; F107-L111 PolarHBondContact O-N 3.09Å; F107-F442 HydrophobicContact CE1-CE2 4.47Å; F107-F442 HydrophobicContact CE1-CZ 4.09Å; F107-F442 HydrophobicContact CZ-CE1 4.1Å; F107-F442 HydrophobicContact CZ-CE2 4.19Å; F107-F442 AromaticContact CZ-CZ 3.77Å; F107-F442 HydrophobicContact CZ-CZ 3.77Å; F107-A445 HydrophobicContact CD2-CB 4.28Å; F107-A445 HydrophobicContact CE2-CB 3.79Å; F107-F446 HydrophobicContact CD2-CD1 4.26Å; F107-F446 HydrophobicContact CD2-CE1 4.36Å; F107-F446 HydrophobicContact CE1-CE1 4.28Å; F107-F446 HydrophobicContact CE1-CZ 4.22Å; F107-F446 AromaticContact CE2-CD1 3.68Å; F107-F446 HydrophobicContact CE2-CD1 3.68Å; F107-F446 HydrophobicContact CE2-CD2 4.13Å; F107-F446 AromaticContact CE2-CE1 3.66Å; F107-F446 HydrophobicContact CE2-CE1 3.66Å; F107-F446 HydrophobicContact CE2-CE2 4.11Å; F107-F446 AromaticContact CE2-CG 3.91Å; F107-F446 HydrophobicContact CE2-CG 3.91Å; F107-F446 AromaticContact CE2-CZ 3.88Å; F107-F446 HydrophobicContact CE2-CZ 3.88Å; F107-F446 HydrophobicContact CZ-CD1 4.13Å; F107-F446 HydrophobicContact CZ-CD2 4.34Å; F107-F446 AromaticContact CZ-CE1 3.63Å; F107-F446 HydrophobicContact CZ-CE1 3.63Å; F107-F446 AromaticContact CZ-CE2 3.86Å; F107-F446 HydrophobicContact CZ-CE2 3.86Å; F107-F446 HydrophobicContact CZ-CG 4.45Å; F107-F446 AromaticContact CZ-CZ 3.46Å; F107-F446 HydrophobicContact CZ-CZ 3.46Å; F107-F446 VanDerWaalsContact CZ-CZ 3.46Å; F107-I509 HydrophobicContact CE1-CG2 4.24Å; F107-A512 HydrophobicContact CB-CB 4.3Å; F107-A512 HydrophobicContact CD1-CB 3.63Å; F107-A512 HydrophobicContact CG-CB 4.44Å; F107-T513 HydrophobicContact CE1-CG2 3.99Å
108A96.5Very high94.3Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-61.9-39175.100000112.2I86 V104 L112 A512I86-A108 HydrophobicContact CD1-CB 4.39Å; I86-A108 HydrophobicContact CG2-CB 4.49Å; V104-A108 WeakPolarHBondContact O-CB 3.39Å; V104-A108 PolarHBondContact O-N 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 3.3Å; A108-A512 HydrophobicContact CB-CB 4.18Å
109G95.9Very high94.7Very high1 Ų113.1 Ų13.11%0.017%0.068CC..Hα-helixtrans-64-43.4174.700000112.9L105 V106 F107 L112 E113L105-G109 PolarHBondContact O-N 3.01Å; V106-G109 PolarHBondContact O-N 2.9Å; F107-G109 VanDerWaalsContact C-N 3.31Å; F107-G109 PolarHBondContact O-N 3.29Å; G109-L112 PolarHBondContact O-N 3.12Å; G109-E113 WeakPolarHBondContact O-CB 3.38Å; G109-E113 PolarHBondContact O-N 3.26Å
110A96.4Very high95Very high5 Ų520.3 Ų20.34%0.0419%0.093CC..Hα-helixtrans-64.5-41.9177.100000112.3V106 F107 L112 E113 L114 A445 A448V106-A110 WeakPolarHBondContact O-CB 3.48Å; V106-A110 PolarHBondContact O-N 2.85Å; F107-A110 PolarHBondContact O-N 3.01Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.07Å; A110-E113 PolarHBondContact O-N 2.84Å; A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 2.84Å; A110-A445 HydrophobicContact CB-CB 4.18Å; A110-A448 HydrophobicContact CB-CB 3.61Å
111L97Very high95.1Very high0 Ų025.6 Ų25.60%012%0.116CC..Hα-helixtrans-59.9-41.1175.8-74.3172.9000112.4F107 A115 Y132 F442 A445 T513 A516F107-L111 HydrophobicContact CD1-CD1 3.99Å; F107-L111 HydrophobicContact CE1-CD1 3.71Å; F107-L111 HydrophobicContact CE1-CG 4.31Å; F107-L111 HydrophobicContact CE2-CD2 4.44Å; F107-L111 HydrophobicContact CE2-CG 4.38Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.17Å; F107-L111 HydrophobicContact CZ-CG 4.2Å; F107-L111 WeakPolarHBondContact O-CG 3.2Å; F107-L111 PolarHBondContact O-N 3.09Å; L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.4Å; L111-A115 PolarHBondContact O-N 3.29Å; L111-Y132 HydrophobicContact CB-CE2 4.04Å; L111-Y132 HydrophobicContact CD2-CD2 4.39Å; L111-Y132 HydrophobicContact CD2-CE1 4.49Å; L111-Y132 HydrophobicContact CD2-CE2 4.02Å; L111-Y132 PolarHBondContact O-OH 2.93Å; L111-F442 HydrophobicContact CD1-CE2 4.14Å; L111-F442 HydrophobicContact CD2-CD2 3.37Å; L111-F442 HydrophobicContact CD2-CE2 3.67Å; L111-F442 HydrophobicContact CD2-CG 4.11Å; L111-A445 HydrophobicContact CD2-CB 3.66Å; L111-A445 HydrophobicContact CG-CB 4.1Å; L111-T513 HydrophobicContact CD1-CG2 3.99Å; L111-A516 HydrophobicContact CB-CB 4.01Å; L111-A516 HydrophobicContact CD1-CB 4.12Å
112L96.2Very high95.1Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-72.4-37.4177.8-68.9174.9000112.1I33 C36 I86 A108 G109 A110 A115 E116 A516 V519 L520I33-L112 HydrophobicContact CG1-CB 4.31Å; I33-L112 HydrophobicContact CG1-CD2 4.29Å; I33-L112 HydrophobicContact CG2-CB 4.06Å; I33-L112 WeakPolarHBondContact CG2-O 3.5Å; C36-L112 HydrophobicContact CB-CD1 3.49Å; C36-L112 VanDerWaalsContact CB-CD1 3.49Å; I86-L112 HydrophobicContact CD1-CD1 3.78Å; A108-L112 WeakPolarHBondContact O-CG 3.43Å; A108-L112 PolarHBondContact O-N 3.3Å; G109-L112 PolarHBondContact O-N 3.12Å; A110-L112 VanDerWaalsContact C-N 3.31Å; A110-L112 PolarHBondContact O-N 3.07Å; L112-A115 PolarHBondContact O-N 3.36Å; L112-E116 PolarHBondContact O-N 2.93Å; L112-A516 HydrophobicContact CD2-CB 4.11Å; L112-A516 HydrophobicContact CG-CB 4.16Å; L112-V519 HydrophobicContact CD1-CB 4.44Å; L112-V519 HydrophobicContact CD1-CG1 4.15Å; L112-V519 HydrophobicContact CD2-CB 4.28Å; L112-V519 HydrophobicContact CD2-CG1 4.11Å; L112-L520 HydrophobicContact CD2-CD1 4.33Å; L112-L520 HydrophobicContact CD2-CD2 3.95Å; L112-L520 HydrophobicContact CD2-CG 3.78Å
113E96Very high95.1Very high53 Ų5328.6 Ų28.625%0.24815%0.148CC..Hα-helixtrans-61.5-45.4174.6177.7165.5-157.200111.5K37 R44 G109 A110 E116K37-E113 VanDerWaalsContact CE-CD 3.42Å; K37-E113 WeakPolarHBondContact CE-OE1 3.45Å; K37-E113 VanDerWaalsContact NZ-CD 3.29Å; K37-E113 IonicContact NZ-OE1 3.82Å; K37-E113 PolarHBondContact NZ-OE1 3.07Å; K37-E113 IonicContact NZ-OE2 3.12Å; R44-E113 IonicContact NH2-OE2 3.46Å; G109-E113 WeakPolarHBondContact O-CB 3.38Å; G109-E113 PolarHBondContact O-N 3.26Å; A110-E113 PolarHBondContact O-N 2.84Å; E113-E116 WeakPolarHBondContact O-CB 3.46Å; E113-E116 PolarHBondContact O-N 2.83Å
114L96.3Very high95Very high15 Ų1530.7 Ų30.78%0.07916%0.164CC..Hα-helixtrans-74.6-28177-63.5177.1000112.5A110 E116 E117 L118 K441 E444 A445A110-L114 WeakPolarHBondContact O-CG 3.31Å; A110-L114 PolarHBondContact O-N 2.84Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 2.89Å; L114-E117 WeakPolarHBondContact O-CB 3.35Å; L114-E117 PolarHBondContact O-N 2.93Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.36Å; L114-K441 HydrophobicContact CB-CB 4.16Å; L114-K441 HydrophobicContact CB-CD 4.36Å; L114-K441 WeakPolarHBondContact CD1-O 3.49Å; L114-K441 HydrophobicContact CD2-CD 4.26Å; L114-E444 HydrophobicContact CD1-CB 3.89Å; L114-E444 HydrophobicContact CD1-CG 4Å; L114-A445 HydrophobicContact CD1-CB 3.89Å
115A95.4Very high94.8Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-63.8-36.8171.400000111.6L111 L112 E117 L118 L119 V128 Y132 L520L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.4Å; L111-A115 PolarHBondContact O-N 3.29Å; L112-A115 PolarHBondContact O-N 3.36Å; A115-E117 VanDerWaalsContact C-N 3.27Å; A115-E117 PolarHBondContact O-N 3.01Å; A115-L118 PolarHBondContact O-N 3.24Å; A115-L119 VanDerWaalsContact O-CG 3.27Å; A115-L119 WeakPolarHBondContact O-CG 3.27Å; A115-L119 PolarHBondContact O-N 2.86Å; A115-V128 HydrophobicContact CB-CG1 4.08Å; A115-Y132 HydrophobicContact CB-CE2 4.24Å; A115-Y132 PolarHBondContact N-OH 3.25Å; A115-L520 HydrophobicContact CB-CD1 3.99Å; A115-L520 HydrophobicContact CB-CD2 4.1Å
116E94.7Very high94.7Very high30 Ų3035.4 Ų35.414%0.1420%0.195CC..Hα-helixtrans-57.9-40.4174.1177.4177.5177.200111.8F30 I33 L112 E113 L114 L119 R120F30-E116 HydrophobicContact CD1-CB 4.44Å; F30-E116 HydrophobicContact CD1-CG 3.79Å; F30-E116 HydrophobicContact CE1-CB 4.37Å; F30-E116 HydrophobicContact CE1-CG 3.75Å; I33-E116 HydrophobicContact CD1-CB 4.26Å; I33-E116 HydrophobicContact CG2-CB 4.2Å; L112-E116 PolarHBondContact O-N 2.93Å; E113-E116 WeakPolarHBondContact O-CB 3.46Å; E113-E116 PolarHBondContact O-N 2.83Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 2.89Å; E116-L119 PolarHBondContact O-N 2.93Å; E116-R120 WeakPolarHBondContact O-CB 3.32Å; E116-R120 VanDerWaalsContact O-CG 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.28Å; E116-R120 PolarHBondContact O-N 3.46Å; E116-R120 IonicContact OE1-CZ 2.74Å; E116-R120 IonicContact OE1-NE 3.65Å; E116-R120 IonicContact OE1-NH1 3.68Å; E116-R120 IonicContact OE1-NH2 2.62Å; E116-R120 PolarHBondContact OE1-NH2 3.48Å
117E95.1Very high94.6Very high86 Ų8638.1 Ų38.140%0.40221%0.208SC..Hα-helixtrans-63.8-44.2175.5-59.8-175.6167.700111.8L114 A115 L119 R120 M121 K441L114-E117 WeakPolarHBondContact O-CB 3.35Å; L114-E117 PolarHBondContact O-N 2.93Å; A115-E117 VanDerWaalsContact C-N 3.27Å; A115-E117 PolarHBondContact O-N 3.01Å; E117-L119 PolarHBondContact O-N 3.06Å; E117-R120 PolarHBondContact O-N 3.05Å; E117-M121 WeakPolarHBondContact O-CG 3.2Å; E117-M121 PolarHBondContact O-N 3.2Å; E117-K441 WeakPolarHBondContact OE2-CE 3.25Å; E117-K441 IonicContact OE2-NZ 3.77Å; E117-K441 PolarHBondContact OE2-NZ 3.48Å
118L94.6Very high94.5Very high0 Ų038.1 Ų38.10%021%0.208CC..Hα-helixtrans-60.9-44.6177-63.8176.6000111.9L114 A115 R120 M121 G122 L123 V128 Y132 A438 K441L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.36Å; A115-L118 PolarHBondContact O-N 3.24Å; L118-R120 VanDerWaalsContact C-N 3.32Å; L118-R120 PolarHBondContact O-N 3.03Å; L118-M121 HydrophobicContact CB-CE 4.5Å; L118-M121 HydrophobicContact CD2-CE 3.39Å; L118-M121 HydrophobicContact CG-CE 4.36Å; L118-M121 WeakPolarHBondContact O-CB 3.49Å; L118-M121 PolarHBondContact O-N 3.45Å; L118-G122 PolarHBondContact O-N 3.3Å; L118-L123 HydrophobicContact CB-CB 4.48Å; L118-L123 HydrophobicContact CB-CD1 3.85Å; L118-L123 HydrophobicContact CD2-CD1 3.73Å; L118-L123 HydrophobicContact CG-CD1 4.3Å; L118-L123 WeakPolarHBondContact O-CB 3.24Å; L118-L123 PolarHBondContact O-N 2.87Å; L118-V128 HydrophobicContact CB-CG2 3.9Å; L118-V128 HydrophobicContact CD1-CG1 3.93Å; L118-V128 HydrophobicContact CD1-CG2 3.93Å; L118-Y132 HydrophobicContact CD1-CE1 4.43Å; L118-A438 HydrophobicContact CD1-CB 3.97Å; L118-K441 HydrophobicContact CD1-CB 4.07Å; L118-K441 HydrophobicContact CD1-CG 4.16Å; L118-K441 HydrophobicContact CD2-CB 4.29Å; L118-K441 HydrophobicContact CD2-CG 3.5Å; L118-K441 HydrophobicContact CG-CB 4.36Å; L118-K441 HydrophobicContact CG-CG 3.91Å
119L93.8Very high94.5Very high17 Ų1738.7 Ų38.79%0.08921%0.211CC..Hα-helixtrans-64.6-37.8178.3-66.2175.7000111.5V29 F30 I33 A115 E116 E117 M121 G122 L123 V125 V128V29-L119 HydrophobicContact CG1-CD1 3.79Å; F30-L119 HydrophobicContact CE1-CB 3.97Å; F30-L119 HydrophobicContact CE1-CD1 4.19Å; F30-L119 HydrophobicContact CZ-CB 4.15Å; I33-L119 HydrophobicContact CD1-CD1 4.17Å; A115-L119 VanDerWaalsContact O-CG 3.27Å; A115-L119 WeakPolarHBondContact O-CG 3.27Å; A115-L119 PolarHBondContact O-N 2.86Å; E116-L119 PolarHBondContact O-N 2.93Å; E117-L119 PolarHBondContact O-N 3.06Å; L119-M121 VanDerWaalsContact C-N 3.33Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.08Å; L119-L123 WeakPolarHBondContact CD2-O 3.37Å; L119-V125 HydrophobicContact CD2-CB 4.35Å; L119-V125 HydrophobicContact CD2-CG2 3.64Å; L119-V128 HydrophobicContact CD2-CG2 4.39Å
120R93.8Very high94.4Very high176 Ų17641.6 Ų41.666%0.66423%0.226SC*.Hα-helixtrans-67.9-30.7174.4-75177.8178-176.12.1113.2F30 E116 E117 L118 G122F30-R120 HydrophobicContact CE1-CG 4.38Å; F30-R120 HydrophobicContact CZ-CG 4Å; E116-R120 WeakPolarHBondContact O-CB 3.32Å; E116-R120 VanDerWaalsContact O-CG 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.28Å; E116-R120 PolarHBondContact O-N 3.46Å; E116-R120 IonicContact OE1-CZ 2.74Å; E116-R120 IonicContact OE1-NE 3.65Å; E116-R120 IonicContact OE1-NH1 3.68Å; E116-R120 IonicContact OE1-NH2 2.62Å; E116-R120 PolarHBondContact OE1-NH2 3.48Å; E117-R120 PolarHBondContact O-N 3.05Å; L118-R120 VanDerWaalsContact C-N 3.32Å; L118-R120 PolarHBondContact O-N 3.03Å; R120-G122 PolarHBondContact O-N 3.24Å
121M92.1Very high94.4Very high121 Ų12141.3 Ų41.360%0.59622%0.224SC*.THydrogen-bonded Turntrans-70-12.4171.2-70.9-170.5-6600113E117 L118 L119 L123E117-M121 WeakPolarHBondContact O-CG 3.2Å; E117-M121 PolarHBondContact O-N 3.2Å; L118-M121 HydrophobicContact CB-CE 4.5Å; L118-M121 HydrophobicContact CD2-CE 3.39Å; L118-M121 HydrophobicContact CG-CE 4.36Å; L118-M121 WeakPolarHBondContact O-CB 3.49Å; L118-M121 PolarHBondContact O-N 3.45Å; L119-M121 VanDerWaalsContact C-N 3.33Å; M121-L123 HydrophobicContact CE-CD1 4.44Å
122G91.2Very high94.3Very high66 Ų6641.3 Ų41.368%0.6822%0.224SC*.THydrogen-bonded Turntrans100.110.5176.700000114.8L118 L119 R120L118-G122 PolarHBondContact O-N 3.3Å; L119-G122 PolarHBondContact O-N 3.44Å; L119-G122 VanDerWaalsContact O-N 3.08Å; R120-G122 PolarHBondContact O-N 3.24Å
123L93.3Very high94.3Very high20 Ų2044.1 Ų44.111%0.10524%0.237CC..  trans-67.1143.7170.4-79.4142.2000110.5L118 L119 M121 E127 V128 L434L118-L123 HydrophobicContact CB-CB 4.48Å; L118-L123 HydrophobicContact CB-CD1 3.85Å; L118-L123 HydrophobicContact CD2-CD1 3.73Å; L118-L123 HydrophobicContact CG-CD1 4.3Å; L118-L123 WeakPolarHBondContact O-CB 3.24Å; L118-L123 PolarHBondContact O-N 2.87Å; L119-L123 WeakPolarHBondContact CD2-O 3.37Å; M121-L123 HydrophobicContact CE-CD1 4.44Å; L123-E127 HydrophobicContact CD2-CB 4.31Å; L123-V128 HydrophobicContact CB-CG2 4.18Å; L123-L434 HydrophobicContact CD2-CB 3.99Å
124S92.5Very high94.3Very high53 Ų5346 Ų4637%0.37124%0.244SC..  trans-74.2151.1174.270.80000110.8S126 E127 V128S124-S126 PolarHBondContact O-N 3.17Å; S124-E127 WeakPolarHBondContact CB-OE2 3.21Å; S124-E127 PolarHBondContact N-OE2 2.76Å; S124-E127 PolarHBondContact O-N 2.94Å; S124-E127 WeakPolarHBondContact OG-CG 3.2Å; S124-E127 PolarHBondContact OG-N 3.27Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; S124-V128 PolarHBondContact O-N 2.88Å
125V93.1Very high94.2Very high30 Ų3045.3 Ų45.318%0.18224%0.241CC..Hα-helixtrans-58.6-35.7177.9-176.20000111.4L25 L119 V128 I129 L520L25-V125 HydrophobicContact CD2-CG2 3.55Å; L119-V125 HydrophobicContact CD2-CB 4.35Å; L119-V125 HydrophobicContact CD2-CG2 3.64Å; V125-V128 PolarHBondContact O-N 2.87Å; V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CD1 3.36Å; V125-I129 VanDerWaalsContact O-CG1 3.29Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; V125-I129 PolarHBondContact O-N 3.42Å; V125-L520 HydrophobicContact CG1-CB 4.12Å; V125-L520 WeakPolarHBondContact CG1-O 3.49Å
126S93Very high94.3Very high71 Ų7145.8 Ų45.850%0.49724%0.244SC..Hα-helixtrans-62.9-45.5178.3-163.40000112S124 V128 I129 D130S124-S126 PolarHBondContact O-N 3.17Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 2.79Å; S126-I129 WeakPolarHBondContact O-CB 3.27Å; S126-I129 PolarHBondContact O-N 3.42Å; S126-D130 PolarHBondContact O-N 3.19Å
127E93.5Very high94.3Very high57 Ų5750.5 Ų50.527%0.26626%0.264SS..Hα-helixtrans-65.1-36179.9-70.7161.4152.800112.1L123 S124 G131 L434L123-E127 HydrophobicContact CD2-CB 4.31Å; S124-E127 WeakPolarHBondContact CB-OE2 3.21Å; S124-E127 PolarHBondContact N-OE2 2.76Å; S124-E127 PolarHBondContact O-N 2.94Å; S124-E127 WeakPolarHBondContact OG-CG 3.2Å; S124-E127 PolarHBondContact OG-N 3.27Å; S124-E127 PolarHBondContact OG-OE2 2.98Å; E127-G131 PolarHBondContact O-N 3.12Å; E127-L434 WeakPolarHBondContact OE1-CD1 3.36Å
128V95.3Very high94.3Very high0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-65-43.9174.6178.60000110.7A115 L118 L119 L123 S124 V125 S126 G131 Y132 L520A115-V128 HydrophobicContact CB-CG1 4.08Å; L118-V128 HydrophobicContact CB-CG2 3.9Å; L118-V128 HydrophobicContact CD1-CG1 3.93Å; L118-V128 HydrophobicContact CD1-CG2 3.93Å; L119-V128 HydrophobicContact CD2-CG2 4.39Å; L123-V128 HydrophobicContact CB-CG2 4.18Å; S124-V128 PolarHBondContact O-N 2.88Å; V125-V128 PolarHBondContact O-N 2.87Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 2.79Å; V128-G131 PolarHBondContact O-N 3.26Å; V128-Y132 HydrophobicContact CG1-CD2 4.34Å; V128-Y132 HydrophobicContact CG1-CE1 4.28Å; V128-Y132 HydrophobicContact CG1-CE2 4.09Å; V128-Y132 WeakPolarHBondContact O-CB 3.06Å; V128-Y132 PolarHBondContact O-N 3.01Å; V128-L520 HydrophobicContact CG1-CD1 4.09Å
129I95.3Very high94.4Very high11 Ų1149.4 Ų49.46%0.05626%0.258CS..Hα-helixtrans-61.1-49.8177.1-70.6160.8000110.8V125 S126 G131 Y132 E133 I517 L520 R521V125-I129 HydrophobicContact CG1-CD1 3.88Å; V125-I129 WeakPolarHBondContact O-CD1 3.36Å; V125-I129 VanDerWaalsContact O-CG1 3.29Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; V125-I129 PolarHBondContact O-N 3.42Å; S126-I129 WeakPolarHBondContact O-CB 3.27Å; S126-I129 PolarHBondContact O-N 3.42Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.24Å; I129-Y132 PolarHBondContact O-N 3.31Å; I129-E133 PolarHBondContact O-N 2.83Å; I129-I517 HydrophobicContact CG1-CG2 4.36Å; I129-I517 HydrophobicContact CG2-CG1 4.48Å; I129-I517 HydrophobicContact CG2-CG2 3.68Å; I129-L520 HydrophobicContact CD1-CB 4.29Å; I129-L520 HydrophobicContact CG1-CB 4.13Å; I129-R521 HydrophobicContact CD1-CB 4.48Å; I129-R521 HydrophobicContact CD1-CG 3.48Å; I129-R521 VanDerWaalsContact CD1-CG 3.48Å; I129-R521 HydrophobicContact CG1-CG 4.48Å
130D94.3Very high94.4Very high62 Ų6250.2 Ų50.233%0.33226%0.262SS..Hα-helixtrans-63.1-39.8-178.2-68.4-25.3000111.4S126 E133 K134S126-D130 PolarHBondContact O-N 3.19Å; D130-E133 PolarHBondContact O-N 3.04Å; D130-K134 WeakPolarHBondContact O-CB 3.49Å; D130-K134 WeakPolarHBondContact O-CG 3.13Å; D130-K134 PolarHBondContact O-N 3.22Å
131G95.1Very high94.5Very high0 Ų047.5 Ų47.50%026%0.257CS..Hα-helixtrans-63.5-44.1173.900000113.2E127 V128 I129 K134 A135E127-G131 PolarHBondContact O-N 3.12Å; V128-G131 PolarHBondContact O-N 3.26Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.24Å; G131-K134 PolarHBondContact O-N 3.36Å; G131-A135 WeakPolarHBondContact O-CB 3.44Å; G131-A135 PolarHBondContact O-N 2.93Å
132Y96.6Very high94.5Very high0 Ų042.2 Ų42.20%023%0.231CC..Hα-helixtrans-66.9-37.6176.5-77.25.2000112.4L111 A115 L118 V128 I129 C136 A438 F442 L520L111-Y132 HydrophobicContact CB-CE2 4.04Å; L111-Y132 HydrophobicContact CD2-CD2 4.39Å; L111-Y132 HydrophobicContact CD2-CE1 4.49Å; L111-Y132 HydrophobicContact CD2-CE2 4.02Å; L111-Y132 PolarHBondContact O-OH 2.93Å; A115-Y132 HydrophobicContact CB-CE2 4.24Å; A115-Y132 PolarHBondContact N-OH 3.25Å; L118-Y132 HydrophobicContact CD1-CE1 4.43Å; V128-Y132 HydrophobicContact CG1-CD2 4.34Å; V128-Y132 HydrophobicContact CG1-CE1 4.28Å; V128-Y132 HydrophobicContact CG1-CE2 4.09Å; V128-Y132 WeakPolarHBondContact O-CB 3.06Å; V128-Y132 PolarHBondContact O-N 3.01Å; I129-Y132 PolarHBondContact O-N 3.31Å; Y132-C136 VanDerWaalsContact O-CB 3.24Å; Y132-C136 WeakPolarHBondContact O-CB 3.35Å; Y132-C136 PolarHBondContact O-N 3.5Å; Y132-A438 HydrophobicContact CD1-CB 4.24Å; Y132-A438 HydrophobicContact CE1-CB 4.35Å; Y132-A438 WeakPolarHBondContact CE1-O 3.44Å; Y132-F442 HydrophobicContact CD1-CB 4.01Å; Y132-F442 AromaticContact CD1-CD2 3.83Å; Y132-F442 HydrophobicContact CD1-CD2 3.83Å; Y132-F442 HydrophobicContact CD1-CG 4.42Å; Y132-F442 HydrophobicContact CE1-CB 4.08Å; Y132-F442 HydrophobicContact CE1-CD2 4.32Å; Y132-F442 AromaticContact CG-CD2 3.98Å; Y132-F442 HydrophobicContact CG-CD2 3.98Å; Y132-L520 HydrophobicContact CD2-CD1 4.45Å; Y132-L520 HydrophobicContact CE2-CD1 4.34Å
133E95.7Very high94.6Very high58 Ų5839.1 Ų39.127%0.27120%0.199SC..Hα-helixtrans-63.8-43.4174.2-76.9-167.2-17700112I129 D130 C136 K137 I517 R521I129-E133 PolarHBondContact O-N 2.83Å; D130-E133 PolarHBondContact O-N 3.04Å; E133-C136 PolarHBondContact O-N 2.9Å; E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 3.05Å; E133-I517 HydrophobicContact CG-CD1 3.56Å; E133-R521 IonicContact OE1-CZ 3.91Å; E133-R521 IonicContact OE1-NH2 3.84Å; E133-R521 PolarHBondContact OE1-NH2 2.9Å
134K94.9Very high94.6Very high93 Ų9340.1 Ų40.140%0.40421%0.207SC..Hα-helixtrans-64-46.6176.7-76.5170.7174.4173.30111.5D130 G131 C136 K137 K138 E435D130-K134 WeakPolarHBondContact O-CB 3.49Å; D130-K134 WeakPolarHBondContact O-CG 3.13Å; D130-K134 PolarHBondContact O-N 3.22Å; G131-K134 PolarHBondContact O-N 3.36Å; K134-C136 PolarHBondContact O-N 3.5Å; K134-K137 PolarHBondContact O-N 3.46Å; K134-K138 PolarHBondContact O-N 3.02Å; K134-K138 VanDerWaalsContact O-N 3.08Å; K134-E435 VanDerWaalsContact CD-OE2 3.23Å; K134-E435 WeakPolarHBondContact CD-OE2 3.46Å; K134-E435 WeakPolarHBondContact CE-OE2 3.49Å; K134-E435 IonicContact NZ-OE1 3.68Å; K134-E435 PolarHBondContact NZ-OE1 2.99Å; K134-E435 IonicContact NZ-OE2 2.74Å; K134-E435 PolarHBondContact NZ-OE2 2.85Å
135A95.7Very high94.4Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-61.1-44.2176.600000111.6G131 K137 K138 T139 I424 I439 F442G131-A135 WeakPolarHBondContact O-CB 3.44Å; G131-A135 PolarHBondContact O-N 2.93Å; A135-K137 PolarHBondContact O-N 3.4Å; A135-K138 PolarHBondContact O-N 3.47Å; A135-T139 WeakPolarHBondContact O-CB 3.42Å; A135-T139 PolarHBondContact O-N 3.16Å; A135-T139 PolarHBondContact O-OG1 2.85Å; A135-I424 HydrophobicContact CB-CG2 4.32Å; A135-I439 HydrophobicContact CB-CB 4.49Å; A135-I439 HydrophobicContact CB-CG1 4.27Å; A135-I439 HydrophobicContact CB-CG2 4.25Å; A135-F442 HydrophobicContact CB-CB 3.78Å; A135-F442 HydrophobicContact CB-CD1 3.54Å; A135-F442 HydrophobicContact CB-CD2 4.04Å; A135-F442 HydrophobicContact CB-CE1 4.09Å; A135-F442 HydrophobicContact CB-CG 3.5Å
136C96.3Very high94.1Very high11 Ų1141.7 Ų41.77%0.07421%0.211CC..Hα-helixtrans-60.9-46.7177.9-173.70000111.9Y132 E133 K134 K138 T139 L140 F442 T513Y132-C136 VanDerWaalsContact O-CB 3.24Å; Y132-C136 WeakPolarHBondContact O-CB 3.35Å; Y132-C136 PolarHBondContact O-N 3.5Å; E133-C136 PolarHBondContact O-N 2.9Å; K134-C136 PolarHBondContact O-N 3.5Å; C136-K138 VanDerWaalsContact C-N 3.33Å; C136-K138 PolarHBondContact O-N 3.48Å; C136-T139 WeakPolarHBondContact O-CB 3.3Å; C136-T139 PolarHBondContact O-N 2.98Å; C136-L140 WeakPolarHBondContact O-CG 3Å; C136-L140 PolarHBondContact O-N 3.19Å; C136-F442 HydrophobicContact CB-CZ 4.24Å; C136-T513 HydrophobicContact CB-CG2 3.98Å; C136-T513 PolarHBondContact SG-OG1 3.34Å
137K96.1Very high93.9Very high128 Ų12841 Ų4156%0.55720%0.2SC*.Hα-helixtrans-58.2-47.2177.3-74171.4-173.4167.80111E133 K134 A135 T139 L140 E141E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 3.05Å; K134-K137 PolarHBondContact O-N 3.46Å; A135-K137 PolarHBondContact O-N 3.4Å; K137-T139 VanDerWaalsContact C-N 3.33Å; K137-T139 PolarHBondContact O-N 2.9Å; K137-L140 PolarHBondContact O-N 2.89Å; K137-E141 WeakPolarHBondContact O-CG 3.45Å; K137-E141 PolarHBondContact O-N 2.92Å; K137-E141 VanDerWaalsContact O-N 3.13Å
138K95.4Very high93.4Very high63 Ų6339.8 Ų39.827%0.27420%0.198SC..Hα-helixtrans-63.5-38.4178.1-167.571.8-156.3155.80112.5K134 A135 C136 L140 E141 I142 F427K134-K138 PolarHBondContact O-N 3.02Å; K134-K138 VanDerWaalsContact O-N 3.08Å; A135-K138 PolarHBondContact O-N 3.47Å; C136-K138 VanDerWaalsContact C-N 3.33Å; C136-K138 PolarHBondContact O-N 3.48Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-L140 PolarHBondContact O-N 3.17Å; K138-E141 IonicContact NZ-OE2 2.58Å; K138-E141 PolarHBondContact NZ-OE2 2.89Å; K138-E141 WeakPolarHBondContact O-CB 3.42Å; K138-E141 PolarHBondContact O-N 2.95Å; K138-I142 HydrophobicContact CG-CD1 3.84Å; K138-I142 WeakPolarHBondContact O-CD1 3.25Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.39Å; K138-I142 PolarHBondContact O-N 3.33Å; K138-F427 HydrophobicContact CB-CD1 4.14Å; K138-F427 HydrophobicContact CB-CE1 4.03Å; K138-F427 HydrophobicContact CB-CZ 4.42Å; K138-F427 HydrophobicContact CD-CD2 4.02Å; K138-F427 HydrophobicContact CD-CE2 3.96Å; K138-F427 HydrophobicContact CD-CG 4.33Å; K138-F427 HydrophobicContact CD-CZ 4.21Å; K138-F427 HydrophobicContact CG-CB 4.46Å; K138-F427 HydrophobicContact CG-CD1 3.88Å; K138-F427 HydrophobicContact CG-CD2 4.09Å; K138-F427 HydrophobicContact CG-CE1 4.09Å; K138-F427 HydrophobicContact CG-CE2 4.29Å; K138-F427 HydrophobicContact CG-CG 3.87Å; K138-F427 HydrophobicContact CG-CZ 4.28Å
139T95.6Very high92.7Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-59.8-45.4175.8-53.70000111.3A135 C136 K137 E141 I142 L143 L420 I424 F442 F446 I509A135-T139 WeakPolarHBondContact O-CB 3.42Å; A135-T139 PolarHBondContact O-N 3.16Å; A135-T139 PolarHBondContact O-OG1 2.85Å; C136-T139 WeakPolarHBondContact O-CB 3.3Å; C136-T139 PolarHBondContact O-N 2.98Å; K137-T139 VanDerWaalsContact C-N 3.33Å; K137-T139 PolarHBondContact O-N 2.9Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 PolarHBondContact O-N 2.72Å; T139-I142 PolarHBondContact O-N 2.91Å; T139-L143 WeakPolarHBondContact O-CB 3.45Å; T139-L143 PolarHBondContact O-N 2.87Å; T139-L420 HydrophobicContact CG2-CD1 3.98Å; T139-L420 HydrophobicContact CG2-CD2 4.05Å; T139-L420 HydrophobicContact CG2-CG 4.46Å; T139-I424 HydrophobicContact CG2-CD1 4.01Å; T139-I424 WeakPolarHBondContact OG1-CD1 3.41Å; T139-F442 WeakPolarHBondContact OG1-CE1 3.44Å; T139-F446 HydrophobicContact CG2-CE2 4.34Å; T139-F446 HydrophobicContact CG2-CZ 3.87Å; T139-I509 HydrophobicContact CG2-CD1 3.97Å; T139-I509 HydrophobicContact CG2-CG2 4.16Å
140L94.5Very high92.1Very high35 Ų3544.2 Ų44.218%0.18323%0.23CC..Hα-helixtrans-69.4-26.3179.7-61.9176000112.6C136 K137 K138 P144 R510C136-L140 WeakPolarHBondContact O-CG 3Å; C136-L140 PolarHBondContact O-N 3.19Å; K137-L140 PolarHBondContact O-N 2.89Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-L140 PolarHBondContact O-N 3.17Å; L140-P144 WeakPolarHBondContact O-CD 3.5Å; L140-R510 HydrophobicContact CD1-CB 4.43Å
141E94.8Very high91.2Very high118 Ų11841.4 Ų41.455%0.55122%0.215SC*.Hα-helixtrans-72.1-35170.7-70.4172.7-169.600112.6K137 K138 T139 P144K137-E141 WeakPolarHBondContact O-CG 3.45Å; K137-E141 PolarHBondContact O-N 2.92Å; K137-E141 VanDerWaalsContact O-N 3.13Å; K138-E141 IonicContact NZ-OE2 2.58Å; K138-E141 PolarHBondContact NZ-OE2 2.89Å; K138-E141 WeakPolarHBondContact O-CB 3.42Å; K138-E141 PolarHBondContact O-N 2.95Å; T139-E141 VanDerWaalsContact C-N 3.28Å; T139-E141 PolarHBondContact O-N 2.72Å; E141-P144 WeakPolarHBondContact O-CD 3.42Å
142I93.6Very high90.2Very high11 Ų1149 Ų496%0.05625%0.249CC..Hα-helixtrans-81.6-34.9-177.6-70.1165000111.9K138 T139 P144 D145 L420 Q423K138-I142 HydrophobicContact CG-CD1 3.84Å; K138-I142 WeakPolarHBondContact O-CD1 3.25Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.39Å; K138-I142 PolarHBondContact O-N 3.33Å; T139-I142 PolarHBondContact O-N 2.91Å; I142-P144 VanDerWaalsContact C-N 3.29Å; I142-P144 VanDerWaalsContact O-N 3.13Å; I142-D145 WeakPolarHBondContact O-CB 3.37Å; I142-D145 PolarHBondContact O-N 3.07Å; I142-L420 HydrophobicContact CB-CD2 4.32Å; I142-L420 HydrophobicContact CG2-CD2 3.78Å; I142-Q423 HydrophobicContact CD1-CB 4.02Å; I142-Q423 HydrophobicContact CG2-CB 4.38Å
143L92.6Very high89.3Confident0 Ų054 Ų540%028%0.276CS..G310 helixtrans-50.7-38.8-174.6-171.971.1000114.2T139 D145 C146 T416 L420 Y502 K505 H506T139-L143 WeakPolarHBondContact O-CB 3.45Å; T139-L143 PolarHBondContact O-N 2.87Å; L143-D145 VanDerWaalsContact C-N 3.25Å; L143-D145 PolarHBondContact O-N 3.15Å; L143-C146 PolarHBondContact O-N 3.04Å; L143-T416 HydrophobicContact CD1-CG2 3.81Å; L143-L420 HydrophobicContact CD1-CD1 3.93Å; L143-L420 HydrophobicContact CD1-CD2 4.42Å; L143-Y502 HydrophobicContact CB-CE2 3.94Å; L143-Y502 HydrophobicContact CD2-CD2 3.88Å; L143-Y502 HydrophobicContact CD2-CE2 3.44Å; L143-Y502 VanDerWaalsContact CD2-CE2 3.44Å; L143-Y502 HydrophobicContact CG-CD2 3.81Å; L143-Y502 HydrophobicContact CG-CE2 3.43Å; L143-Y502 VanDerWaalsContact CG-CE2 3.43Å; L143-K505 HydrophobicContact CD1-CB 4.37Å; L143-K505 HydrophobicContact CD2-CB 4.27Å; L143-H506 HydrophobicContact CD2-CB 3.92Å
144P92.3Very high88.1Confident42 Ų4252 Ų5227%0.27327%0.266SS..G310 helixtrans-61-27.3173.7-2435.1000114.9L140 E141 I142 C146 I147 Y502L140-P144 WeakPolarHBondContact O-CD 3.5Å; E141-P144 WeakPolarHBondContact O-CD 3.42Å; I142-P144 VanDerWaalsContact C-N 3.29Å; I142-P144 VanDerWaalsContact O-N 3.13Å; P144-C146 PolarHBondContact O-N 2.91Å; P144-I147 HydrophobicContact CB-CD1 4.31Å; P144-I147 VanDerWaalsContact O-CD1 3.22Å; P144-I147 WeakPolarHBondContact O-CD1 3.39Å; P144-I147 WeakPolarHBondContact O-CG1 3.4Å; P144-I147 PolarHBondContact O-N 3.3Å; P144-Y502 HydrophobicContact CG-CE2 4.14Å
145D89.4Confident87.1Confident109 Ų10952.3 Ų52.358%0.58327%0.269SS*.G310 helixtrans-77.2-9.6-179.9-61.9-25.9000112.7I142 L143I142-D145 WeakPolarHBondContact O-CB 3.37Å; I142-D145 PolarHBondContact O-N 3.07Å; L143-D145 VanDerWaalsContact C-N 3.25Å; L143-D145 PolarHBondContact O-N 3.15Å
146C86.3Confident86.5Confident7 Ų756 Ų565%0.04729%0.289CS..G310 helixtrans-95.64.6177.1-60.70000113.1L143 P144 C148 P411L143-C146 PolarHBondContact O-N 3.04Å; P144-C146 PolarHBondContact O-N 2.91Å; C146-C148 PolarHBondContact O-N 2.94Å; C146-P411 WeakPolarHBondContact O-CD 3.42Å
147I89.5Confident85.8Confident55 Ų5558.7 Ų58.728%0.28230%0.302SS..  trans-68.7125.6179.8-64.3168.4000109.7P144 R408 L409 V410 Y502P144-I147 HydrophobicContact CB-CD1 4.31Å; P144-I147 VanDerWaalsContact O-CD1 3.22Å; P144-I147 WeakPolarHBondContact O-CD1 3.39Å; P144-I147 WeakPolarHBondContact O-CG1 3.4Å; P144-I147 PolarHBondContact O-N 3.3Å; I147-R408 HydrophobicContact CD1-CB 4.01Å; I147-R408 HydrophobicContact CD1-CG 3.95Å; I147-R408 HydrophobicContact CG1-CB 4.43Å; I147-R408 HydrophobicContact CG2-CB 4.36Å; I147-L409 WeakPolarHBondContact CG2-O 3.22Å; I147-V410 HydrophobicContact CG1-CG1 4.22Å; I147-Y502 HydrophobicContact CD1-CD2 4.36Å; I147-Y502 HydrophobicContact CG1-CD2 4.31Å
148C82.1Confident85.3Confident33 Ų3357.3 Ų57.322%0.22330%0.304CS..  trans-100.5-35.3-177.959.80000112.7C146 L409 L494 L499C146-C148 PolarHBondContact O-N 2.94Å; C148-L409 PolarHBondContact N-O 2.88Å; C148-L409 VanDerWaalsContact N-O 3.13Å; C148-L409 PolarHBondContact SG-O 3.03Å; C148-L494 HydrophobicContact CB-CD1 4.23Å; C148-L499 WeakPolarHBondContact SG-CD2 3.38Å
149S81.3Confident84.6Confident39 Ų3956.9 Ų56.927%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-150.1166.5-177.967.50000111.7L409 L499S149-L409 PolarHBondContact O-N 3.39Å; S149-L499 WeakPolarHBondContact OG-CD1 3.44Å
150S82.9Confident84Confident64 Ų6456.9 Ų56.945%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-136.4134.7172.7-175.30000109.8K152 K407S150-K152 PolarHBondContact O-N 3.29Å; S150-K407 CarbonylContact C-O 3.51Å; S150-K407 WeakPolarHBondContact CA-O 3.3Å; S150-K407 PolarHBondContact OG-O 2.98Å
151A74.1Confident83.7Confident3 Ų355.9 Ų55.93%0.02530%0.299CS..  trans-63.8129174.700000109.2L154 E159 K407A151-L154 HydrophobicContact CB-CD2 3.99Å; A151-E159 VanDerWaalsContact CA-OE1 3.29Å; A151-E159 WeakPolarHBondContact CA-OE1 3.39Å; A151-K407 HydrophobicContact CB-CB 4.19Å; A151-K407 PolarHBondContact N-O 2.94Å; A151-K407 WeakPolarHBondContact O-CB 3.39Å; A151-K407 WeakPolarHBondContact O-CD 3.48Å
152K75.7Confident83.2Confident160 Ų16052.6 Ų52.670%0.69629%0.292SS*.SBendtrans-87.8-59.1179.1-65.7176.3-174.8171.30109.3S150 E159 K407S150-K152 PolarHBondContact O-N 3.29Å; K152-E159 PolarHBondContact N-OE1 3.03Å; K152-E159 PolarHBondContact N-OE2 2.88Å; K152-K407 PolarHBondContact O-NZ 2.86Å
153N76Confident82.7Confident106 Ų10652.4 Ų52.457%0.56729%0.291SS*.  trans-127.3104.6-172.4-75-21.8000111.9H155 D156 E159N153-H155 PolarHBondContact O-N 3.43Å; N153-D156 PolarHBondContact O-N 2.9Å; N153-D156 VanDerWaalsContact O-N 3.12Å; N153-E159 PolarHBondContact N-OE2 2.93Å
154L71.6Confident82.6Confident15 Ų1552.4 Ų52.48%0.07929%0.291CS..THydrogen-bonded Turntrans-72.6-6.9177.1-62.1170.4000113.9A151 F400 L403 V404A151-L154 HydrophobicContact CB-CD2 3.99Å; L154-F400 HydrophobicContact CB-CE2 4.01Å; L154-F400 HydrophobicContact CB-CZ 3.88Å; L154-F400 HydrophobicContact CD2-CE2 4.27Å; L154-L403 HydrophobicContact CD1-CB 4.21Å; L154-L403 HydrophobicContact CD2-CB 3.89Å; L154-L403 HydrophobicContact CD2-CD1 4.35Å; L154-V404 HydrophobicContact CD1-CB 4.27Å; L154-V404 HydrophobicContact CD1-CG2 3.72Å
155H74.4Confident82.5Confident99 Ų9953.3 Ų53.346%0.45829%0.289SS..THydrogen-bonded Turntrans-79.9-21.9170.7-69.7-72.5000112.7N153 I157 I191N153-H155 PolarHBondContact O-N 3.43Å; H155-I157 PolarHBondContact O-N 3.3Å; H155-I191 WeakPolarHBondContact CE1-CG2 3.47Å
156D81.4Confident82.5Confident77 Ų7748.7 Ų48.741%0.41227%0.265SS..  trans-74.7116174.6-170.1-16.4000108.5N153 T158 E159 A160N153-D156 PolarHBondContact O-N 2.9Å; N153-D156 VanDerWaalsContact O-N 3.12Å; D156-T158 PolarHBondContact O-N 2.85Å; D156-T158 PolarHBondContact OD1-N 2.93Å; D156-T158 PolarHBondContact OD1-OG1 3.39Å; D156-T158 PolarHBondContact OD2-OG1 3Å; D156-E159 HydrophobicContact CB-CB 4.24Å; D156-E159 PolarHBondContact O-N 3.19Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 2.85Å
157I82.1Confident82.6Confident68 Ų6848.5 Ų48.535%0.34926%0.264SS..Hα-helixtrans-57.9-36.2-179.2-59165.2000109.8H155 T161 A184 Q185 A188H155-I157 PolarHBondContact O-N 3.3Å; I157-T161 VanDerWaalsContact O-CB 3.29Å; I157-T161 WeakPolarHBondContact O-CB 3.46Å; I157-T161 PolarHBondContact O-N 3.37Å; I157-T161 PolarHBondContact O-OG1 3.43Å; I157-A184 HydrophobicContact CG2-CB 4.04Å; I157-Q185 HydrophobicContact CD1-CG 4.35Å; I157-Q185 HydrophobicContact CG2-CG 4.28Å; I157-A188 HydrophobicContact CG1-CB 4.39Å
158T85Confident82.7Confident100 Ų10045.9 Ų45.961%0.61325%0.25SS*.Hα-helixtrans-68.9-42.9-176.9620000112.6D156 A162D156-T158 PolarHBondContact O-N 2.85Å; D156-T158 PolarHBondContact OD1-N 2.93Å; D156-T158 PolarHBondContact OD1-OG1 3.39Å; D156-T158 PolarHBondContact OD2-OG1 3Å; T158-A162 PolarHBondContact O-N 3Å
159E81.6Confident83Confident53 Ų5345.2 Ų45.225%0.24824%0.244CC..Hα-helixtrans-69.5-40.7177.5-169.3172.2-160.200110.9A151 K152 N153 D156 A162A151-E159 VanDerWaalsContact CA-OE1 3.29Å; A151-E159 WeakPolarHBondContact CA-OE1 3.39Å; K152-E159 PolarHBondContact N-OE1 3.03Å; K152-E159 PolarHBondContact N-OE2 2.88Å; N153-E159 PolarHBondContact N-OE2 2.93Å; D156-E159 HydrophobicContact CB-CB 4.24Å; D156-E159 PolarHBondContact O-N 3.19Å; E159-A162 PolarHBondContact O-N 3.44Å
160A83.6Confident83.3Confident1 Ų145.1 Ų45.11%0.00824%0.244CC..Hα-helixtrans-64.4-44.3175.500000112.1D156 A162 V163 I164 A184 F400D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 2.85Å; A160-A162 VanDerWaalsContact C-N 3.3Å; A160-A162 PolarHBondContact O-N 2.95Å; A160-V163 PolarHBondContact O-N 3.48Å; A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.29Å; A160-I164 PolarHBondContact O-N 2.84Å; A160-A184 HydrophobicContact CB-CB 4.12Å; A160-F400 HydrophobicContact CB-CE2 4Å
161T86.9Confident83.4Confident13 Ų1342.9 Ų42.98%0.0823%0.226CC..Hα-helixtrans-57.8-44.1176.9-65.80000110.8I157 V163 I164 R165 A180 N181 A184I157-T161 VanDerWaalsContact O-CB 3.29Å; I157-T161 WeakPolarHBondContact O-CB 3.46Å; I157-T161 PolarHBondContact O-N 3.37Å; I157-T161 PolarHBondContact O-OG1 3.43Å; T161-V163 VanDerWaalsContact C-N 3.26Å; T161-V163 PolarHBondContact O-N 3Å; T161-I164 PolarHBondContact O-N 3.2Å; T161-R165 WeakPolarHBondContact O-CB 3.21Å; T161-R165 PolarHBondContact O-N 2.76Å; T161-A180 HydrophobicContact CG2-CB 3.88Å; T161-N181 WeakPolarHBondContact CG2-OD1 3.23Å; T161-N181 PolarHBondContact OG1-OD1 2.91Å; T161-A184 WeakPolarHBondContact OG1-CB 3.13Å
162A85.1Confident84Confident49 Ų4943.7 Ų43.741%0.40523%0.229SC..Hα-helixtrans-58.5-37.5-177.300000113T158 E159 A160T158-A162 PolarHBondContact O-N 3Å; E159-A162 PolarHBondContact O-N 3.44Å; A160-A162 VanDerWaalsContact C-N 3.3Å; A160-A162 PolarHBondContact O-N 2.95Å
163V83.6Confident84.4Confident7 Ų740.3 Ų40.34%0.04221%0.212CC..Hα-helixtrans-84.3-38.5179.6-168.90000112.2A160 T161 R165 T166 L403 L409A160-V163 PolarHBondContact O-N 3.48Å; T161-V163 VanDerWaalsContact C-N 3.26Å; T161-V163 PolarHBondContact O-N 3Å; V163-R165 PolarHBondContact O-N 3.4Å; V163-T166 PolarHBondContact O-N 3.3Å; V163-T166 PolarHBondContact O-OG1 2.98Å; V163-L403 HydrophobicContact CB-CD1 3.79Å; V163-L403 HydrophobicContact CG1-CD1 3.48Å; V163-L403 VanDerWaalsContact CG1-CD1 3.48Å; V163-L403 HydrophobicContact CG1-CD2 3.95Å; V163-L403 HydrophobicContact CG1-CG 4.25Å; V163-L403 HydrophobicContact CG2-CD1 4.39Å; V163-L409 HydrophobicContact CG1-CD2 3.74Å; V163-L409 HydrophobicContact CG2-CD1 3.72Å; V163-L409 HydrophobicContact CG2-CD2 4.31Å
164I89.3Confident84.8Confident0 Ų038 Ų380%021%0.214CC..Hα-helixtrans-66.8-30.5177.1-65.4168.5000110.8A160 T161 T166 A167 V168 A180 I183 A184 F400A160-I164 VanDerWaalsContact O-CG1 3.3Å; A160-I164 WeakPolarHBondContact O-CG1 3.29Å; A160-I164 PolarHBondContact O-N 2.84Å; T161-I164 PolarHBondContact O-N 3.2Å; I164-T166 VanDerWaalsContact C-N 3.26Å; I164-T166 PolarHBondContact O-N 3.27Å; I164-A167 PolarHBondContact O-N 3.43Å; I164-V168 HydrophobicContact CG2-CG2 3.92Å; I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.15Å; I164-V168 VanDerWaalsContact O-N 3.11Å; I164-A180 HydrophobicContact CB-CB 4.45Å; I164-A180 HydrophobicContact CG2-CB 4.16Å; I164-I183 HydrophobicContact CD1-CG2 4.14Å; I164-I183 HydrophobicContact CG2-CB 4.18Å; I164-I183 HydrophobicContact CG2-CD1 4.11Å; I164-I183 HydrophobicContact CG2-CG2 4.08Å; I164-A184 HydrophobicContact CD1-CB 4.21Å; I164-F400 HydrophobicContact CD1-CB 4.35Å; I164-F400 HydrophobicContact CD1-CD2 3.94Å
165R91.1Very high85.5Confident61 Ų6140 Ų4023%0.2322%0.224CC..Hα-helixtrans-51.3-43.8178.4-178.8-177.7179.5-126.6-15.5112T161 V163 V168 M169 E176 D177 A180T161-R165 WeakPolarHBondContact O-CB 3.21Å; T161-R165 PolarHBondContact O-N 2.76Å; V163-R165 PolarHBondContact O-N 3.4Å; R165-V168 PolarHBondContact O-N 2.83Å; R165-M169 WeakPolarHBondContact O-CB 3.29Å; R165-M169 PolarHBondContact O-N 3Å; R165-E176 HydrophobicContact CG-CB 4.4Å; R165-E176 HydrophobicContact CG-CG 4.29Å; R165-E176 IonicContact CZ-OE1 3.54Å; R165-E176 IonicContact NE-OE1 2.86Å; R165-E176 IonicContact NH2-OE1 2.65Å; R165-E176 PolarHBondContact NH2-OE1 2.86Å; R165-D177 VanDerWaalsContact CD-OD1 3.23Å; R165-D177 WeakPolarHBondContact CD-OD1 3.48Å; R165-D177 IonicContact CZ-OD1 2.91Å; R165-D177 IonicContact NE-OD1 3.81Å; R165-D177 PolarHBondContact NE-OD1 2.97Å; R165-A180 HydrophobicContact CB-CB 4.15Å
166T89.1Confident86.1Confident13 Ų1335.8 Ų35.88%0.0821%0.205CC..Hα-helixtrans-68.5-41.7-176.855.30000113V163 I164 V168 M169 S170 I498 L499V163-T166 PolarHBondContact O-N 3.3Å; V163-T166 PolarHBondContact O-OG1 2.98Å; I164-T166 VanDerWaalsContact C-N 3.26Å; I164-T166 PolarHBondContact O-N 3.27Å; T166-V168 PolarHBondContact O-N 2.97Å; T166-M169 PolarHBondContact O-N 2.8Å; T166-S170 PolarHBondContact O-N 2.85Å; T166-I498 HydrophobicContact CG2-CB 4.39Å; T166-I498 HydrophobicContact CG2-CG2 4.1Å; T166-L499 WeakPolarHBondContact CG2-O 3.42Å; T166-L499 PolarHBondContact OG1-O 2.99Å
167A88.5Confident86.5Confident3 Ų336.1 Ų36.13%0.02521%0.207CC..Hα-helixtrans-60-46.7175.400000111I164 S170 T399I164-A167 PolarHBondContact O-N 3.43Å; A167-S170 PolarHBondContact O-OG 3.29Å; A167-T399 HydrophobicContact CB-CG2 4.24Å; A167-T399 WeakPolarHBondContact CB-OG1 3.43Å
168V90.9Very high86.9Confident0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-70.1-40.6179.5-179.70000111.9I164 R165 T166 S170 K171 Q172 L179 I183 A392I164-V168 HydrophobicContact CG2-CG2 3.92Å; I164-V168 WeakPolarHBondContact O-CG2 3.27Å; I164-V168 PolarHBondContact O-N 3.15Å; I164-V168 VanDerWaalsContact O-N 3.11Å; R165-V168 PolarHBondContact O-N 2.83Å; T166-V168 PolarHBondContact O-N 2.97Å; V168-S170 PolarHBondContact O-N 3.3Å; V168-K171 PolarHBondContact O-N 3.47Å; V168-Q172 HydrophobicContact CG1-CB 4.46Å; V168-Q172 PolarHBondContact O-N 2.92Å; V168-L179 HydrophobicContact CG1-CB 3.89Å; V168-L179 HydrophobicContact CG1-CD1 4.03Å; V168-I183 HydrophobicContact CG2-CD1 3.61Å; V168-A392 HydrophobicContact CG1-CB 4.46Å
169M89.6Confident87.2Confident19 Ų1931.5 Ų31.59%0.09418%0.176CC..Hα-helixtrans-55.8-37.4179177.2-173.8-164.900111.7P49 R165 T166 K171 Y173 E176P49-M169 HydrophobicContact CB-CG 4.22Å; P49-M169 WeakPolarHBondContact CB-O 3.22Å; R165-M169 WeakPolarHBondContact O-CB 3.29Å; R165-M169 PolarHBondContact O-N 3Å; T166-M169 PolarHBondContact O-N 2.8Å; M169-K171 PolarHBondContact O-N 3.14Å; M169-Y173 HydrophobicContact CE-CD2 4.23Å; M169-Y173 HydrophobicContact CE-CE2 3.66Å; M169-Y173 HydrophobicContact CG-CD2 4.11Å; M169-Y173 HydrophobicContact CG-CE2 4.45Å; M169-E176 HydrophobicContact CB-CB 4.05Å; M169-E176 WeakPolarHBondContact CG-OE2 3.3Å
170S86.2Confident87.7Confident37 Ų3729 Ų2926%0.25916%0.164SC..THydrogen-bonded Turntrans-65-23.9178.278.90000113.8T166 A167 V168T166-S170 PolarHBondContact O-N 2.85Å; A167-S170 PolarHBondContact O-OG 3.29Å; V168-S170 PolarHBondContact O-N 3.3Å
171K86.2Confident88.1Confident16 Ų1632.1 Ų32.17%0.0718%0.181CC..THydrogen-bonded Turntrans-103.8-47.3-177.2-70-172166.1-167.60112.9N67 D68 V168 M169 A392 D395N67-K171 WeakPolarHBondContact ND2-CA 3.5Å; N67-K171 PolarHBondContact ND2-O 2.97Å; D68-K171 IonicContact OD1-NZ 2.78Å; V168-K171 PolarHBondContact O-N 3.47Å; M169-K171 PolarHBondContact O-N 3.14Å; K171-A392 HydrophobicContact CB-CB 4.02Å; K171-A392 HydrophobicContact CD-CB 4.26Å; K171-D395 HydrophobicContact CD-CB 4.46Å; K171-D395 WeakPolarHBondContact CE-OD2 3.28Å; K171-D395 IonicContact NZ-OD1 2.67Å; K171-D395 PolarHBondContact NZ-OD1 3.15Å; K171-D395 IonicContact NZ-OD2 3.87Å; K171-D395 PolarHBondContact NZ-OD2 2.84Å
172Q85.4Confident88.3Confident20 Ų2032.1 Ų32.19%0.09318%0.18CC..SBendtrans-125.577.7-173.2-76.3-75.7-3200109.8V168 L179 D388 I389 A392V168-Q172 HydrophobicContact CG1-CB 4.46Å; V168-Q172 PolarHBondContact O-N 2.92Å; Q172-L179 HydrophobicContact CB-CD1 4.14Å; Q172-D388 PolarHBondContact NE2-OD2 3.39Å; Q172-I389 HydrophobicContact CG-CG1 4.26Å; Q172-A392 HydrophobicContact CG-CB 4Å
173Y84.1Confident88.6Confident89 Ų8929.9 Ų29.935%0.34916%0.161SC..THydrogen-bonded Turntrans-64.3135.2177.8-168-106.6000111.8P49 M169P49-Y173 HydrophobicContact CB-CD2 3.61Å; P49-Y173 HydrophobicContact CB-CE2 4.21Å; P49-Y173 HydrophobicContact CB-CG 4.31Å; M169-Y173 HydrophobicContact CE-CD2 4.23Å; M169-Y173 HydrophobicContact CE-CE2 3.66Å; M169-Y173 HydrophobicContact CG-CD2 4.11Å; M169-Y173 HydrophobicContact CG-CE2 4.45Å
174G85.4Confident88.8Confident58 Ų5829.5 Ų29.560%0.59816%0.159SC*.THydrogen-bonded Turntrans93-21.4175.700000115.8E176G174-E176 PolarHBondContact N-OE2 2.87Å
175N86.3Confident88.7Confident56 Ų5633.4 Ų33.430%0.29918%0.177SC..SBendtrans-109.711.1171.3-66.5-44.9000112.8D177 F178 L179N175-D177 PolarHBondContact O-N 3.39Å; N175-F178 PolarHBondContact O-N 3.36Å; N175-L179 HydrophobicContact CB-CD1 4.2Å; N175-L179 HydrophobicContact CB-CG 4.44Å; N175-L179 WeakPolarHBondContact O-CB 3.41Å; N175-L179 WeakPolarHBondContact O-CG 3.25Å; N175-L179 PolarHBondContact O-N 3.06Å
176E86.9Confident88.5Confident12 Ų1230.5 Ų30.56%0.05617%0.166CC..Hα-helixtrans-57.2-48.9-172.862.6-148.7-13900113.6R165 M169 G174 F178 L179 A180R165-E176 HydrophobicContact CG-CB 4.4Å; R165-E176 HydrophobicContact CG-CG 4.29Å; R165-E176 IonicContact CZ-OE1 3.54Å; R165-E176 IonicContact NE-OE1 2.86Å; R165-E176 IonicContact NH2-OE1 2.65Å; R165-E176 PolarHBondContact NH2-OE1 2.86Å; M169-E176 HydrophobicContact CB-CB 4.05Å; M169-E176 WeakPolarHBondContact CG-OE2 3.3Å; G174-E176 PolarHBondContact N-OE2 2.87Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.1Å; E176-L179 PolarHBondContact O-N 3.37Å; E176-A180 WeakPolarHBondContact O-CB 3.33Å; E176-A180 PolarHBondContact O-N 3.04Å
177D89.4Confident88.2Confident84 Ų8429.9 Ų29.945%0.44916%0.163SC..Hα-helixtrans-65-40.6-176.7-65.5-26.3000111.5R165 N175 N181R165-D177 VanDerWaalsContact CD-OD1 3.23Å; R165-D177 WeakPolarHBondContact CD-OD1 3.48Å; R165-D177 IonicContact CZ-OD1 2.91Å; R165-D177 IonicContact NE-OD1 3.81Å; R165-D177 PolarHBondContact NE-OD1 2.97Å; N175-D177 PolarHBondContact O-N 3.39Å; D177-N181 WeakPolarHBondContact O-CB 3.45Å; D177-N181 VanDerWaalsContact O-CG 3.27Å; D177-N181 PolarHBondContact O-N 2.9Å; D177-N181 VanDerWaalsContact O-N 3.12Å; D177-N181 PolarHBondContact O-ND2 2.8Å
178F91.1Very high87.6Confident68 Ų6830.6 Ų30.630%0.29817%0.169SC..Hα-helixtrans-67.6-48.9179.6177.7-100.9000111N175 E176 N181 L182 V213 T214N175-F178 PolarHBondContact O-N 3.36Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.1Å; F178-N181 PolarHBondContact O-N 3.39Å; F178-L182 HydrophobicContact CD1-CD1 3.99Å; F178-L182 HydrophobicContact CE1-CD1 3.4Å; F178-L182 HydrophobicContact CE1-CG 4.33Å; F178-L182 HydrophobicContact CE2-CD1 4.45Å; F178-L182 HydrophobicContact CZ-CD1 3.67Å; F178-L182 HydrophobicContact CZ-CD2 4.49Å; F178-L182 HydrophobicContact CZ-CG 4.31Å; F178-L182 WeakPolarHBondContact O-CG 3.49Å; F178-L182 PolarHBondContact O-N 3.12Å; F178-V213 VanDerWaalsContact CE1-O 3.29Å; F178-V213 WeakPolarHBondContact CE1-O 3.16Å; F178-T214 WeakPolarHBondContact CZ-O 3.33Å
179L91.4Very high86.5Confident3 Ų331.6 Ų31.62%0.01618%0.175CC..Hα-helixtrans-66.6-43.2179.7-70.5175.1000111.7V168 Q172 N175 E176 N181 L182 I183 V213 I389V168-L179 HydrophobicContact CG1-CB 3.89Å; V168-L179 HydrophobicContact CG1-CD1 4.03Å; Q172-L179 HydrophobicContact CB-CD1 4.14Å; N175-L179 HydrophobicContact CB-CD1 4.2Å; N175-L179 HydrophobicContact CB-CG 4.44Å; N175-L179 WeakPolarHBondContact O-CB 3.41Å; N175-L179 WeakPolarHBondContact O-CG 3.25Å; N175-L179 PolarHBondContact O-N 3.06Å; E176-L179 PolarHBondContact O-N 3.37Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 2.88Å; L179-L182 PolarHBondContact O-N 3.36Å; L179-L182 VanDerWaalsContact O-N 3.15Å; L179-I183 WeakPolarHBondContact O-CD1 3.42Å; L179-I183 WeakPolarHBondContact O-CG1 3.36Å; L179-I183 PolarHBondContact O-N 3.22Å; L179-V213 HydrophobicContact CD2-CG1 4.13Å; L179-I389 HydrophobicContact CD1-CG2 4.08Å; L179-I389 HydrophobicContact CD2-CG2 3.87Å
180A91.3Very high85.2Confident0 Ų030.9 Ų30.90%017%0.171CC..Hα-helixtrans-60.2-40.8178.100000111.8T161 I164 R165 E176 I183 A184T161-A180 HydrophobicContact CG2-CB 3.88Å; I164-A180 HydrophobicContact CB-CB 4.45Å; I164-A180 HydrophobicContact CG2-CB 4.16Å; R165-A180 HydrophobicContact CB-CB 4.15Å; E176-A180 WeakPolarHBondContact O-CB 3.33Å; E176-A180 PolarHBondContact O-N 3.04Å; A180-I183 PolarHBondContact O-N 3.43Å; A180-A184 VanDerWaalsContact O-CB 3.25Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 3.38Å
181N92Very high84.1Confident66 Ų6630.4 Ų30.435%0.35317%0.166SC..Hα-helixtrans-62.9-42.4174.5-80-46.3000112.7T161 D177 F178 L179 A184 Q185T161-N181 WeakPolarHBondContact CG2-OD1 3.23Å; T161-N181 PolarHBondContact OG1-OD1 2.91Å; D177-N181 WeakPolarHBondContact O-CB 3.45Å; D177-N181 VanDerWaalsContact O-CG 3.27Å; D177-N181 PolarHBondContact O-N 2.9Å; D177-N181 VanDerWaalsContact O-N 3.12Å; D177-N181 PolarHBondContact O-ND2 2.8Å; F178-N181 PolarHBondContact O-N 3.39Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 2.88Å; N181-A184 PolarHBondContact O-N 3.13Å; N181-Q185 WeakPolarHBondContact O-CB 3.28Å; N181-Q185 VanDerWaalsContact O-CG 3.27Å; N181-Q185 WeakPolarHBondContact O-CG 3.36Å; N181-Q185 PolarHBondContact O-N 3.45Å
182L91.5Very high82.7Confident14 Ų1434.2 Ų34.27%0.07318%0.183CC..Hα-helixtrans-64-43.4176.2-67174.7000111.3F178 L179 Q185 A186 V218F178-L182 HydrophobicContact CD1-CD1 3.99Å; F178-L182 HydrophobicContact CE1-CD1 3.4Å; F178-L182 HydrophobicContact CE1-CG 4.33Å; F178-L182 HydrophobicContact CE2-CD1 4.45Å; F178-L182 HydrophobicContact CZ-CD1 3.67Å; F178-L182 HydrophobicContact CZ-CD2 4.49Å; F178-L182 HydrophobicContact CZ-CG 4.31Å; F178-L182 WeakPolarHBondContact O-CG 3.49Å; F178-L182 PolarHBondContact O-N 3.12Å; L179-L182 PolarHBondContact O-N 3.36Å; L179-L182 VanDerWaalsContact O-N 3.15Å; L182-Q185 PolarHBondContact O-N 3.34Å; L182-A186 PolarHBondContact O-N 3.49Å; L182-V218 HydrophobicContact CB-CG2 3.81Å; L182-V218 HydrophobicContact CD2-CG2 3.73Å; L182-V218 HydrophobicContact CG-CG2 4.35Å; L182-V218 WeakPolarHBondContact O-CG2 3.39Å
183I91.3Very high81.2Confident1 Ų138.7 Ų38.71%0.00521%0.214CC..Hα-helixtrans-65.3-45179.1-60.9161000110.1I164 V168 L179 A180 Q185 A186 C187 V393 V397I164-I183 HydrophobicContact CD1-CG2 4.14Å; I164-I183 HydrophobicContact CG2-CB 4.18Å; I164-I183 HydrophobicContact CG2-CD1 4.11Å; I164-I183 HydrophobicContact CG2-CG2 4.08Å; V168-I183 HydrophobicContact CG2-CD1 3.61Å; L179-I183 WeakPolarHBondContact O-CD1 3.42Å; L179-I183 WeakPolarHBondContact O-CG1 3.36Å; L179-I183 PolarHBondContact O-N 3.22Å; A180-I183 PolarHBondContact O-N 3.43Å; I183-Q185 VanDerWaalsContact C-N 3.35Å; I183-Q185 PolarHBondContact O-N 2.95Å; I183-A186 PolarHBondContact O-N 3.39Å; I183-C187 WeakPolarHBondContact O-CB 3.45Å; I183-C187 PolarHBondContact O-N 3.25Å; I183-C187 PolarHBondContact O-SG 3.15Å; I183-V393 HydrophobicContact CD1-CB 4.36Å; I183-V393 HydrophobicContact CD1-CG2 4.09Å; I183-V393 HydrophobicContact CG1-CB 4.37Å; I183-V393 HydrophobicContact CG1-CG1 4.1Å; I183-V393 HydrophobicContact CG1-CG2 4.07Å; I183-V397 HydrophobicContact CG2-CG2 3.91Å
184A88.3Confident79.7Confident0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-60.2-42.9177.800000111.8I157 A160 T161 I164 A180 N181 C187 A188I157-A184 HydrophobicContact CG2-CB 4.04Å; A160-A184 HydrophobicContact CB-CB 4.12Å; T161-A184 WeakPolarHBondContact OG1-CB 3.13Å; I164-A184 HydrophobicContact CD1-CB 4.21Å; A180-A184 VanDerWaalsContact O-CB 3.25Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 3.38Å; N181-A184 PolarHBondContact O-N 3.13Å; A184-C187 PolarHBondContact O-N 2.88Å; A184-A188 VanDerWaalsContact O-CB 3.25Å; A184-A188 WeakPolarHBondContact O-CB 3.42Å; A184-A188 PolarHBondContact O-N 3.17Å
185Q87.1Confident78.4Confident81 Ų8144.1 Ų44.138%0.37923%0.234SC..Hα-helixtrans-61.8-44174.6-74.3174.60.900112.3I157 N181 L182 I183 V218I157-Q185 HydrophobicContact CD1-CG 4.35Å; I157-Q185 HydrophobicContact CG2-CG 4.28Å; N181-Q185 WeakPolarHBondContact O-CB 3.28Å; N181-Q185 VanDerWaalsContact O-CG 3.27Å; N181-Q185 WeakPolarHBondContact O-CG 3.36Å; N181-Q185 PolarHBondContact O-N 3.45Å; L182-Q185 PolarHBondContact O-N 3.34Å; I183-Q185 VanDerWaalsContact C-N 3.35Å; I183-Q185 PolarHBondContact O-N 2.95Å; Q185-V218 HydrophobicContact CB-CG2 4.35Å
186A85.7Confident77.3Confident0 Ų044.1 Ų44.10%025%0.248CC..Hα-helixtrans-67.2-3617800000112.6L182 I183 S190 V203 V218 V376L182-A186 PolarHBondContact O-N 3.49Å; I183-A186 PolarHBondContact O-N 3.39Å; A186-S190 PolarHBondContact O-OG 2.81Å; A186-V203 HydrophobicContact CB-CG1 4.11Å; A186-V203 HydrophobicContact CB-CG2 4.44Å; A186-V218 HydrophobicContact CB-CG1 3.99Å; A186-V218 HydrophobicContact CB-CG2 4.42Å; A186-V376 HydrophobicContact CB-CG2 3.8Å
187C83Confident76.6Confident0 Ų047.2 Ų47.20%027%0.27CS..Hα-helixtrans-74.2-44.7178.6-67.10000111.9I183 A184 V189 S190 I191 F198 F400I183-C187 WeakPolarHBondContact O-CB 3.45Å; I183-C187 PolarHBondContact O-N 3.25Å; I183-C187 PolarHBondContact O-SG 3.15Å; A184-C187 PolarHBondContact O-N 2.88Å; C187-V189 VanDerWaalsContact C-N 3.26Å; C187-V189 PolarHBondContact O-N 3.37Å; C187-S190 WeakPolarHBondContact CA-OG 3.47Å; C187-S190 PolarHBondContact O-N 3.45Å; C187-S190 PolarHBondContact O-OG 2.85Å; C187-I191 WeakPolarHBondContact O-CG1 3.11Å; C187-I191 PolarHBondContact O-N 3.03Å; C187-F198 HydrophobicContact CB-CE2 4.29Å; C187-F198 HydrophobicContact CB-CZ 4.31Å; C187-F400 HydrophobicContact CB-CD1 3.68Å; C187-F400 HydrophobicContact CB-CD2 4.23Å; C187-F400 HydrophobicContact CB-CE1 3.82Å; C187-F400 HydrophobicContact CB-CE2 4.34Å; C187-F400 HydrophobicContact CB-CG 3.89Å; C187-F400 HydrophobicContact CB-CZ 4.15Å
188A76.3Confident76.3Confident18 Ų1844.2 Ų44.215%0.14925%0.253CS..Hα-helixtrans-56.7-40.3-177.800000112.6I157 A184 S190I157-A188 HydrophobicContact CG1-CB 4.39Å; A184-A188 VanDerWaalsContact O-CB 3.25Å; A184-A188 WeakPolarHBondContact O-CB 3.42Å; A184-A188 PolarHBondContact O-N 3.17Å; A188-S190 VanDerWaalsContact C-N 3.35Å
189V68.5Low76Confident21 Ų2144.5 Ų44.513%0.12726%0.258CS..Hα-helixtrans-74.3-25.4179.11770000112.7C187 H220 E369C187-V189 VanDerWaalsContact C-N 3.26Å; C187-V189 PolarHBondContact O-N 3.37Å; V189-H220 VanDerWaalsContact CG2-CE1 3.49Å; V189-H220 WeakPolarHBondContact CG2-CE1 3.29Å; V189-E369 HydrophobicContact CG1-CB 4.35Å; V189-E369 HydrophobicContact CG1-CG 4.4Å; V189-E369 HydrophobicContact CG2-CG 4.46Å
190S62.2Low75.7Confident4 Ų446 Ų463%0.02827%0.267CS..Hα-helixtrans-89.5-0.1-179.948.80000113.9A186 C187 A188 F192 F198A186-S190 PolarHBondContact O-OG 2.81Å; C187-S190 WeakPolarHBondContact CA-OG 3.47Å; C187-S190 PolarHBondContact O-N 3.45Å; C187-S190 PolarHBondContact O-OG 2.85Å; A188-S190 VanDerWaalsContact C-N 3.35Å; S190-F192 PolarHBondContact O-N 3.02Å; S190-F198 WeakPolarHBondContact OG-CE2 3.21Å
191I63.1Low75.4Confident27 Ų2749.7 Ų49.714%0.13829%0.287CS..  trans-81.1114.3172.2-58.6160.9000109.1H155 C187 P193 F198 F400H155-I191 WeakPolarHBondContact CE1-CG2 3.47Å; C187-I191 WeakPolarHBondContact O-CG1 3.11Å; C187-I191 PolarHBondContact O-N 3.03Å; I191-P193 WeakPolarHBondContact O-CD 3.35Å; I191-F198 HydrophobicContact CG1-CD2 4.29Å; I191-F400 HydrophobicContact CD1-CE1 3.57Å; I191-F400 HydrophobicContact CD1-CZ 3.32Å; I191-F400 HydrophobicContact CG1-CE1 3.72Å; I191-F400 HydrophobicContact CG1-CZ 4.03Å
192F57.4Low75Confident97 Ų9747.2 Ų47.243%0.42528%0.275SS..  trans-67.8123.6164.4-66.7-78000109.6S190 E194 A372S190-F192 PolarHBondContact O-N 3.02Å; F192-E194 PolarHBondContact O-N 2.84Å; F192-E194 VanDerWaalsContact O-N 3.11Å; F192-A372 HydrophobicContact CE2-CB 4.48Å; F192-A372 HydrophobicContact CZ-CB 3.77Å
193P53.5Low74.9Confident114 Ų11447 Ų4774%0.7427%0.274SS*.THydrogen-bonded Turntrans-59.5-24.5179.9-2433.4000113.6I191I191-P193 WeakPolarHBondContact O-CD 3.35Å
194E53.1Low74.9Confident192 Ų19248.6 Ų48.690%0.89728%0.28SS*.THydrogen-bonded Turntrans-97.3-23.4-166.7-62.5-168.1157.900115.1F192F192-E194 PolarHBondContact O-N 2.84Å; F192-E194 VanDerWaalsContact O-N 3.11Å
195S57.2Low75.1Confident68 Ų6849.4 Ų49.448%0.47629%0.285SS..THydrogen-bonded Turntrans-108.5-14.2-16864.40000115.5S197S195-S197 PolarHBondContact O-N 3.32Å; S195-S197 PolarHBondContact OG-OG 2.9Å
196G63.8Low75.3Confident57 Ų5746 Ų4659%0.58827%0.27SS*.  trans5811.8-178.800000114.5V404G196-V404 WeakPolarHBondContact O-CG1 3.49Å
197S71.8Confident75.7Confident77 Ų7748.2 Ų48.254%0.53828%0.279SS..  trans-110.9120.5-178.7670000109.9S195S195-S197 PolarHBondContact O-N 3.32Å; S195-S197 PolarHBondContact OG-OG 2.9Å
198F82.2Confident76.1Confident21 Ų2148.2 Ų48.29%0.09228%0.28CS..  trans-102.7131.9176.2-177.8-98.7000110.7C187 S190 I191 V203 V397 F400 K401 V404C187-F198 HydrophobicContact CB-CE2 4.29Å; C187-F198 HydrophobicContact CB-CZ 4.31Å; S190-F198 WeakPolarHBondContact OG-CE2 3.21Å; I191-F198 HydrophobicContact CG1-CD2 4.29Å; F198-V203 HydrophobicContact CZ-CG2 4.19Å; F198-V397 HydrophobicContact CE1-CG1 3.63Å; F198-V397 HydrophobicContact CZ-CG1 3.85Å; F198-F400 HydrophobicContact CD1-CD1 4.21Å; F198-F400 AromaticContact CD2-CD1 3.96Å; F198-F400 HydrophobicContact CD2-CD1 3.96Å; F198-F400 AromaticContact CD2-CE1 3.96Å; F198-F400 HydrophobicContact CD2-CE1 3.96Å; F198-F400 HydrophobicContact CE1-CD1 4.04Å; F198-F400 AromaticContact CE2-CD1 3.79Å; F198-F400 HydrophobicContact CE2-CD1 3.79Å; F198-F400 AromaticContact CE2-CE1 3.98Å; F198-F400 HydrophobicContact CE2-CE1 3.98Å; F198-F400 HydrophobicContact CG-CD1 4.16Å; F198-F400 HydrophobicContact CG-CE1 4.43Å; F198-F400 AromaticContact CZ-CD1 3.84Å; F198-F400 HydrophobicContact CZ-CD1 3.84Å; F198-F400 HydrophobicContact CZ-CE1 4.48Å; F198-K401 HydrophobicContact CD1-CB 3.74Å; F198-K401 HydrophobicContact CD1-CG 4.18Å; F198-K401 HydrophobicContact CE1-CB 4.27Å; F198-V404 HydrophobicContact CB-CB 4.33Å; F198-V404 HydrophobicContact CB-CG1 4.24Å; F198-V404 HydrophobicContact CB-CG2 4Å
199N84.5Confident76.8Confident73 Ų7351.2 Ų51.239%0.3929%0.293SS..  trans-108125.2176-17313000110.1D201 S202N199-D201 PolarHBondContact O-N 3.44Å; N199-D201 PolarHBondContact OD1-N 3.08Å; N199-S202 VanDerWaalsContact O-CB 3.27Å; N199-S202 WeakPolarHBondContact O-CB 3.2Å; N199-S202 PolarHBondContact O-N 3.17Å
200V85.8Confident77.7Confident35 Ų3551.7 Ų51.721%0.21230%0.301CS..G310 helixtrans-61.8-34.4179.9-177.30000111.3S202 V203 V397 N398 K401V200-S202 PolarHBondContact O-N 3.11Å; V200-V203 PolarHBondContact O-N 3.25Å; V200-V203 VanDerWaalsContact O-N 3.15Å; V200-V397 HydrophobicContact CB-CG1 4.35Å; V200-V397 HydrophobicContact CG1-CG1 3.82Å; V200-N398 WeakPolarHBondContact CG1-OD1 3.45Å; V200-N398 WeakPolarHBondContact CG2-OD1 3.41Å; V200-K401 HydrophobicContact CG2-CB 4.19Å; V200-K401 HydrophobicContact CG2-CD 3.6Å; V200-K401 HydrophobicContact CG2-CG 4.11Å
201D84.4Confident78.9Confident78 Ų7855.5 Ų55.542%0.41733%0.327SS..G310 helixtrans-63.8-11.1177.3-89.9-39.6000114.2N199 V203 R324N199-D201 PolarHBondContact O-N 3.44Å; N199-D201 PolarHBondContact OD1-N 3.08Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-R324 IonicContact OD1-CZ 3.78Å; D201-R324 IonicContact OD1-NH2 4Å; D201-R324 PolarHBondContact OD1-NH2 2.77Å
202S85Confident80.1Confident13 Ų1356.1 Ų56.19%0.09134%0.34CS..G310 helixtrans-77.4-15.3176.1-73.90000113.4N199 V200 A372 I373 S374N199-S202 VanDerWaalsContact O-CB 3.27Å; N199-S202 WeakPolarHBondContact O-CB 3.2Å; N199-S202 PolarHBondContact O-N 3.17Å; V200-S202 PolarHBondContact O-N 3.11Å; S202-A372 WeakPolarHBondContact CB-O 3.26Å; S202-A372 PolarHBondContact OG-O 3.26Å; S202-I373 CarbonylContact O-C 3.45Å; S202-I373 WeakPolarHBondContact O-CA 3.35Å; S202-I373 WeakPolarHBondContact O-CB 3.47Å; S202-I373 WeakPolarHBondContact O-CG2 3.4Å; S202-S374 PolarHBondContact O-N 3.48Å
203V89.5Confident81.6Confident11 Ų1152.3 Ų52.37%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-106.1120.9171.1-177.20000107.8A186 F198 V200 D201 S374 V376 V397A186-V203 HydrophobicContact CB-CG1 4.11Å; A186-V203 HydrophobicContact CB-CG2 4.44Å; F198-V203 HydrophobicContact CZ-CG2 4.19Å; V200-V203 PolarHBondContact O-N 3.25Å; V200-V203 VanDerWaalsContact O-N 3.15Å; D201-V203 VanDerWaalsContact C-N 3.31Å; V203-S374 WeakPolarHBondContact CA-O 3.37Å; V203-V376 HydrophobicContact CG1-CG2 4.02Å; V203-V397 HydrophobicContact CB-CG1 4.15Å; V203-V397 HydrophobicContact CB-CG2 3.85Å; V203-V397 HydrophobicContact CG1-CG2 3.78Å; V203-V397 HydrophobicContact CG2-CG1 4.16Å; V203-V397 HydrophobicContact CG2-CG2 4.12Å
204R89.8Confident83.3Confident34 Ų3451.7 Ų51.713%0.12832%0.319CS..EExtended strand (participates in β ladder)trans-110.7140.9177.6-176.3-179.2-176.8-158.411.3110.2V223 D321 S374 T375 V376R204-V223 PolarHBondContact NH1-O 2.95Å; R204-D321 IonicContact CZ-OD1 2.93Å; R204-D321 IonicContact CZ-OD2 3.5Å; R204-D321 IonicContact NH2-OD1 3.86Å; R204-D321 PolarHBondContact NH2-OD1 2.97Å; R204-D321 IonicContact NH2-OD2 3.03Å; R204-D321 PolarHBondContact NH2-OD2 2.93Å; R204-S374 PolarHBondContact N-O 3.33Å; R204-T375 HydrophobicContact CB-CG2 4.41Å; R204-T375 CarbonylContact O-C 3.48Å; R204-T375 VanDerWaalsContact O-CA 3.22Å; R204-T375 WeakPolarHBondContact O-CA 3.4Å; R204-V376 PolarHBondContact O-N 3.4Å
205V92.9Very high85.1Confident16 Ų1644.7 Ų44.710%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-97.8132.2168.6177.50000110.2K207 V376 I378 E390 V393V205-K207 HydrophobicContact CG1-CG 4.02Å; V205-V376 WeakPolarHBondContact CA-O 3.34Å; V205-I378 HydrophobicContact CB-CD1 4.44Å; V205-I378 HydrophobicContact CG1-CB 4.46Å; V205-I378 HydrophobicContact CG1-CD1 3.3Å; V205-I378 HydrophobicContact CG1-CG1 3.82Å; V205-I378 HydrophobicContact CG2-CD1 4.29Å; V205-E390 HydrophobicContact CB-CG 4.01Å; V205-E390 HydrophobicContact CG1-CB 4.08Å; V205-E390 HydrophobicContact CG1-CG 3.89Å; V205-E390 HydrophobicContact CG2-CG 4.28Å; V205-V393 HydrophobicContact CG2-CB 4Å; V205-V393 HydrophobicContact CG2-CG1 3.56Å
206C91.9Very high86.7Confident9 Ų941.7 Ų41.76%0.06127%0.273CS..EExtended strand (participates in β ladder)trans-120.3103.6169.3-172.20000109.1V223 T375 V376 V377 I378C206-V223 HydrophobicContact CB-CB 4.49Å; C206-T375 HydrophobicContact CB-CG2 3.68Å; C206-V376 PolarHBondContact N-O 3.12Å; C206-V377 HydrophobicContact CB-CG2 4.48Å; C206-V377 CarbonylContact O-C 3.57Å; C206-V377 WeakPolarHBondContact O-CA 3.39Å; C206-I378 PolarHBondContact O-N 2.91Å
207K92.8Very high88Confident47 Ų4742.3 Ų42.320%0.20427%0.266CS..EExtended strand (participates in β ladder)trans-79.4121.1-179.8-60.8177.9-69.2-1640110.2V205 K225 I378 M386 D387 E390V205-K207 HydrophobicContact CG1-CG 4.02Å; K207-K225 WeakPolarHBondContact O-CE 3.2Å; K207-K225 PolarHBondContact O-NZ 3.44Å; K207-I378 CarbonylContact C-O 3.48Å; K207-I378 WeakPolarHBondContact CA-O 3.11Å; K207-M386 HydrophobicContact CB-CB 4.33Å; K207-M386 HydrophobicContact CB-SD 4.03Å; K207-M386 HydrophobicContact CD-CB 3.85Å; K207-M386 HydrophobicContact CG-CB 4.15Å; K207-D387 IonicContact NZ-OD1 2.88Å; K207-D387 PolarHBondContact NZ-OD1 3.16Å; K207-E390 HydrophobicContact CD-CB 4.19Å; K207-E390 WeakPolarHBondContact CD-OE2 3.04Å; K207-E390 WeakPolarHBondContact CE-OE2 3.33Å; K207-E390 IonicContact NZ-OE2 2.91Å; K207-E390 PolarHBondContact NZ-OE2 2.99Å
208I92.2Very high88.9Confident1 Ų139.7 Ų39.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-122.6125.1175-58.3173.6000108.9V356 V361 V377 I378 R379I208-V356 HydrophobicContact CD1-CB 4.02Å; I208-V356 HydrophobicContact CD1-CG1 3.74Å; I208-V356 HydrophobicContact CG2-CG1 4.18Å; I208-V356 WeakPolarHBondContact CG2-O 3.5Å; I208-V361 HydrophobicContact CD1-CG1 3.82Å; I208-V377 HydrophobicContact CD1-CG1 3.69Å; I208-V377 HydrophobicContact CG1-CG1 4.25Å; I208-I378 PolarHBondContact N-O 3.02Å; I208-R379 WeakPolarHBondContact O-CA 3.45Å; I208-R379 WeakPolarHBondContact O-CD 3.28Å; I208-R379 PolarHBondContact O-NE 3.07Å
209L91.6Very high89.2Confident81 Ų8140.4 Ų40.442%0.42425%0.251SS..EExtended strand (participates in β ladder)trans-61.3149.5-179.7-79.4163.7000112.2R379 D383 M386L209-R379 PolarHBondContact O-NH2 3.43Å; L209-D383 WeakPolarHBondContact CD2-OD1 3.36Å; L209-M386 HydrophobicContact CB-CE 4.43Å; L209-M386 HydrophobicContact CD2-CE 3.23Å; L209-M386 HydrophobicContact CG-CE 3.65Å
210G87.1Confident89.3Confident30 Ų3040 Ų4031%0.30925%0.246SC..BIsolated β-bridgetrans96.2162.1177.300000113.9R379 G380G210-R379 PolarHBondContact O-NE 3.48Å; G210-R379 VanDerWaalsContact O-NE 3.16Å; G210-G380 PolarHBondContact N-O 3.09Å; G210-G380 PolarHBondContact O-N 3.07Å
211C87Confident89.3Confident85 Ų8538.4 Ų38.457%0.57424%0.237SC*.SBendtrans59.6178.1-169.9-80.60000114.5A215 R379 G380 S381C211-A215 HydrophobicContact CB-CB 3.94Å; C211-R379 HydrophobicContact CB-CB 4.45Å; C211-G380 CarbonylContact O-C 3.56Å; C211-S381 PolarHBondContact O-N 3.19Å
212G87.9Confident89.5Confident40 Ų4034.7 Ų34.741%0.41222%0.217SC..  trans-86.4168.3171.200000112.5T214 A215G212-T214 PolarHBondContact O-N 3.03Å; G212-A215 WeakPolarHBondContact O-CB 3.48Å; G212-A215 PolarHBondContact O-N 3.23Å; G212-A215 VanDerWaalsContact O-N 3.13Å
213V88.9Confident89.9Confident16 Ų1634.1 Ų34.110%0.09721%0.213CC..G310 helixtrans-60.2-33-179.2-177.40000112.3F178 L179 A215 S216 R379 L385 I389F178-V213 VanDerWaalsContact CE1-O 3.29Å; F178-V213 WeakPolarHBondContact CE1-O 3.16Å; L179-V213 HydrophobicContact CD2-CG1 4.13Å; V213-A215 PolarHBondContact O-N 3.47Å; V213-A215 VanDerWaalsContact O-N 3.14Å; V213-S216 WeakPolarHBondContact O-CB 3.33Å; V213-S216 PolarHBondContact O-N 3.19Å; V213-S216 PolarHBondContact O-OG 2.81Å; V213-R379 WeakPolarHBondContact CA-O 3.47Å; V213-L385 HydrophobicContact CG2-CD2 4.13Å; V213-I389 HydrophobicContact CB-CD1 4.34Å; V213-I389 HydrophobicContact CG1-CD1 3.86Å; V213-I389 HydrophobicContact CG2-CD1 3.48Å; V213-I389 VanDerWaalsContact CG2-CD1 3.48Å
214T89.8Confident90Very high101 Ų10133.8 Ų33.862%0.6221%0.211SC*.G310 helixtrans-64.2-14.9178.452.90000114.4F178 G212 S216F178-T214 WeakPolarHBondContact CZ-O 3.33Å; G212-T214 PolarHBondContact O-N 3.03Å; T214-S216 VanDerWaalsContact C-N 3.27Å
215A90.3Very high90Very high45 Ų4537 Ų3737%0.37223%0.226SC..G310 helixtrans-86.13.817400000113.2C211 G212 V213 R379C211-A215 HydrophobicContact CB-CB 3.94Å; G212-A215 WeakPolarHBondContact O-CB 3.48Å; G212-A215 PolarHBondContact O-N 3.23Å; G212-A215 VanDerWaalsContact O-N 3.13Å; V213-A215 PolarHBondContact O-N 3.47Å; V213-A215 VanDerWaalsContact O-N 3.14Å; A215-R379 HydrophobicContact CB-CB 4.37Å; A215-R379 HydrophobicContact CB-CG 4.39Å
216S92.3Very high89.8Confident5 Ų540.9 Ų40.94%0.03524%0.242CC..  trans-69.1146.9176.7-560000111V213 T214 V377 R379V213-S216 WeakPolarHBondContact O-CB 3.33Å; V213-S216 PolarHBondContact O-N 3.19Å; V213-S216 PolarHBondContact O-OG 2.81Å; T214-S216 VanDerWaalsContact C-N 3.27Å; S216-V377 CarbonylContact C-O 3.6Å; S216-V377 VanDerWaalsContact CA-O 3.24Å; S216-V377 WeakPolarHBondContact CA-O 3.48Å; S216-V377 VanDerWaalsContact CB-O 3.23Å; S216-V377 WeakPolarHBondContact CB-O 3.38Å; S216-R379 PolarHBondContact OG-N 3.16Å
217T91.1Very high89.5Confident71 Ų7146.1 Ų46.144%0.43627%0.265SS..EExtended strand (participates in β ladder)trans-138.9151.3-176.152.50000111.3V377T217-V377 PolarHBondContact N-O 3.42Å; T217-V377 PolarHBondContact O-N 2.91Å
218V90.6Very high89.2Confident22 Ų2244.7 Ų44.713%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-92.9132.8169.5177.90000108.5L182 Q185 A186 V376L182-V218 HydrophobicContact CB-CG2 3.81Å; L182-V218 HydrophobicContact CD2-CG2 3.73Å; L182-V218 HydrophobicContact CG-CG2 4.35Å; L182-V218 WeakPolarHBondContact O-CG2 3.39Å; Q185-V218 HydrophobicContact CB-CG2 4.35Å; A186-V218 HydrophobicContact CB-CG1 3.99Å; A186-V218 HydrophobicContact CB-CG2 4.42Å; V218-V376 HydrophobicContact CG2-CG2 4.45Å
219L87.8Confident89Confident36 Ų3648.7 Ų48.719%0.18828%0.281CS..EExtended strand (participates in β ladder)trans-122.1127.3173.3-69.8171.5000109.6G221 V223 V363 T375 V377L219-G221 PolarHBondContact O-N 3.26Å; L219-V223 HydrophobicContact CB-CG2 4.42Å; L219-V223 HydrophobicContact CD1-CG2 3.52Å; L219-V363 HydrophobicContact CD1-CG1 4.33Å; L219-T375 PolarHBondContact N-O 3.13Å; L219-T375 PolarHBondContact O-N 2.91Å; L219-V377 HydrophobicContact CD1-CG2 3.8Å; L219-V377 HydrophobicContact CG-CG2 4.49Å
220H85.7Confident88.7Confident63 Ų6345.3 Ų45.329%0.29227%0.265SS..EExtended strand (participates in β ladder)trans-75.1108.9172.6-56-49.3000109V189 K365 H366V189-H220 VanDerWaalsContact CG2-CE1 3.49Å; V189-H220 WeakPolarHBondContact CG2-CE1 3.29Å; H220-K365 WeakPolarHBondContact O-CA 3.11Å; H220-H366 PolarHBondContact O-N 3.22Å
221G86.6Confident88.6Confident2 Ų250 Ų502%0.02128%0.283CS..EExtended strand (participates in β ladder)trans117.6-153.9-172.400000112.9L219 F364 I373 T375L219-G221 PolarHBondContact O-N 3.26Å; G221-F364 CarbonylContact C-O 3.54Å; G221-F364 VanDerWaalsContact CA-O 3.24Å; G221-F364 WeakPolarHBondContact CA-O 3.34Å; G221-I373 PolarHBondContact N-O 2.75Å; G221-T375 WeakPolarHBondContact O-CB 3.16Å; G221-T375 PolarHBondContact O-N 2.9Å; G221-T375 PolarHBondContact O-OG1 3.04Å
222M89.5Confident88.7Confident0 Ų047.8 Ų47.80%027%0.265CS..EExtended strand (participates in β ladder)trans-120.7138.6-171.5-61.4-159.487.400113.4F224 R324 L325 T328 F364 T375M222-F224 HydrophobicContact CB-CE2 3.65Å; M222-F224 HydrophobicContact CB-CZ 3.77Å; M222-F224 HydrophobicContact CE-CE1 4.25Å; M222-F224 HydrophobicContact CE-CZ 3.98Å; M222-F224 HydrophobicContact CG-CZ 4.39Å; M222-F224 HydrophobicContact SD-CE2 4.45Å; M222-F224 HydrophobicContact SD-CZ 3.73Å; M222-R324 HydrophobicContact CE-CB 3.48Å; M222-R324 VanDerWaalsContact CE-CB 3.48Å; M222-R324 HydrophobicContact CE-CG 4.44Å; M222-R324 VanDerWaalsContact SD-C 3.59Å; M222-R324 HydrophobicContact SD-CB 3.85Å; M222-L325 HydrophobicContact CB-CD1 4.36Å; M222-L325 HydrophobicContact CG-CD1 4.45Å; M222-L325 VanDerWaalsContact SD-CA 3.52Å; M222-L325 HydrophobicContact SD-CB 4.01Å; M222-L325 HydrophobicContact SD-CD1 4.19Å; M222-L325 PolarHBondContact SD-N 3.47Å; M222-L325 VanDerWaalsContact SD-N 3.36Å; M222-T328 HydrophobicContact CG-CG2 3.55Å; M222-T328 HydrophobicContact SD-CG2 3.76Å; M222-F364 PolarHBondContact N-O 3.31Å; M222-F364 PolarHBondContact O-N 2.94Å; M222-T375 WeakPolarHBondContact CA-OG1 2.78Å
223V91.7Very high88.6Confident1 Ų149.5 Ų49.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-114.4136172.2-175.40000110.1R204 C206 L219 V361 V362 V363 T375 V377R204-V223 PolarHBondContact NH1-O 2.95Å; C206-V223 HydrophobicContact CB-CB 4.49Å; L219-V223 HydrophobicContact CB-CG2 4.42Å; L219-V223 HydrophobicContact CD1-CG2 3.52Å; V223-V361 HydrophobicContact CG1-CB 3.83Å; V223-V361 HydrophobicContact CG1-CG1 4.28Å; V223-V361 HydrophobicContact CG1-CG2 4.01Å; V223-V362 WeakPolarHBondContact CA-O 3.41Å; V223-V363 HydrophobicContact CG1-CG2 4.36Å; V223-V363 HydrophobicContact CG2-CG1 4.34Å; V223-V363 HydrophobicContact CG2-CG2 4.21Å; V223-T375 HydrophobicContact CB-CG2 4.27Å; V223-T375 HydrophobicContact CG2-CG2 4.34Å; V223-V377 HydrophobicContact CB-CG2 4.33Å; V223-V377 HydrophobicContact CG2-CG2 3.83Å
224F92.3Very high88.7Confident4 Ų452.6 Ų52.62%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-128136.9174.8-56.4-79.6000111M222 K226 L316 D321 L325 V361 V362 F364M222-F224 HydrophobicContact CB-CE2 3.65Å; M222-F224 HydrophobicContact CB-CZ 3.77Å; M222-F224 HydrophobicContact CE-CE1 4.25Å; M222-F224 HydrophobicContact CE-CZ 3.98Å; M222-F224 HydrophobicContact CG-CZ 4.39Å; M222-F224 HydrophobicContact SD-CE2 4.45Å; M222-F224 HydrophobicContact SD-CZ 3.73Å; F224-K226 PolarHBondContact O-N 2.93Å; F224-L316 HydrophobicContact CB-CD2 3.93Å; F224-L316 HydrophobicContact CD1-CD1 4.5Å; F224-L316 HydrophobicContact CD1-CD2 3.59Å; F224-L316 HydrophobicContact CD2-CD1 4.33Å; F224-L316 HydrophobicContact CD2-CD2 3.9Å; F224-L316 HydrophobicContact CE1-CD1 4.14Å; F224-L316 HydrophobicContact CE1-CD2 4.03Å; F224-L316 HydrophobicContact CE2-CD1 3.93Å; F224-L316 HydrophobicContact CE2-CD2 4.28Å; F224-L316 HydrophobicContact CG-CD2 3.51Å; F224-L316 HydrophobicContact CZ-CD1 3.82Å; F224-L316 HydrophobicContact CZ-CD2 4.34Å; F224-D321 HydrophobicContact CD1-CB 4.32Å; F224-D321 HydrophobicContact CE1-CB 3.62Å; F224-D321 HydrophobicContact CZ-CB 4.46Å; F224-L325 HydrophobicContact CE2-CD1 4.08Å; F224-L325 HydrophobicContact CZ-CB 4.35Å; F224-L325 HydrophobicContact CZ-CD1 4.39Å; F224-V361 CarbonylContact O-C 3.59Å; F224-V361 WeakPolarHBondContact O-CA 3.44Å; F224-V361 WeakPolarHBondContact O-CB 3.19Å; F224-V362 PolarHBondContact N-O 3.49Å; F224-V362 PolarHBondContact O-N 3.38Å; F224-F364 AromaticContact CD2-CD2 3.82Å; F224-F364 HydrophobicContact CD2-CD2 3.82Å; F224-F364 AromaticContact CD2-CE2 3.66Å; F224-F364 HydrophobicContact CD2-CE2 3.66Å; F224-F364 AromaticContact CE2-CD2 3.64Å; F224-F364 HydrophobicContact CE2-CD2 3.64Å; F224-F364 AromaticContact CE2-CE2 3.65Å; F224-F364 HydrophobicContact CE2-CE2 3.65Å
225K90.1Very high88.8Confident103 Ų10348.8 Ų48.845%0.44827%0.267SS..SBendtrans-76.865.3171.2-59.4-178.3-174.2-179.10111K207 T359 V361K207-K225 WeakPolarHBondContact O-CE 3.2Å; K207-K225 PolarHBondContact O-NZ 3.44Å; K225-T359 HydrophobicContact CB-CG2 4.39Å; K225-T359 HydrophobicContact CG-CG2 4.41Å; K225-V361 HydrophobicContact CG-CG1 4.44Å
226K88.4Confident88.8Confident97 Ų9754.8 Ų54.842%0.42228%0.284SS..  trans-141.1154.1-179.9-68.3-64.9171.8-168.90108.7F224 V362F224-K226 PolarHBondContact O-N 2.93Å; K226-V362 VanDerWaalsContact O-CG2 3.23Å; K226-V362 WeakPolarHBondContact O-CG2 3.2Å; K226-V362 PolarHBondContact O-N 3.4Å
227E85.9Confident88.7Confident119 Ų11958.9 Ų58.956%0.55631%0.306SS*.  trans-91.8157.8171.6-59.7-178.5176.300108.5Q360E227-Q360 VanDerWaalsContact CD-OE1 3.28Å; E227-Q360 HydrophobicContact CG-CB 3.8Å; E227-Q360 VanDerWaalsContact CG-OE1 3.28Å; E227-Q360 PolarHBondContact OE1-OE1 2.65Å
228A87.3Confident88.6Confident17 Ų1755.5 Ų55.514%0.1429%0.285CS..BIsolated β-bridgetrans-78.3132.9164.800000107.4G230 M312 L353A228-G230 VanDerWaalsContact C-N 3.29Å; A228-M312 HydrophobicContact CB-CE 3.93Å; A228-L353 HydrophobicContact CB-CD1 4.11Å
229E87.8Confident88.7Confident85 Ų8559.2 Ų59.240%0.39730%0.3SS..SBendtrans-77-24.2179.3-61.7-82.9-171.100110.7L303 V313 R315E229-L303 HydrophobicContact CB-CD1 3.99Å; E229-V313 PolarHBondContact N-O 3.16Å; E229-R315 HydrophobicContact CG-CB 4.26Å
230G84.2Confident89Confident9 Ų957.5 Ų57.59%0.09329%0.291CS..SBendtrans-93.1170.5-178.600000114.3A228 I232 N307A228-G230 VanDerWaalsContact C-N 3.29Å; G230-I232 PolarHBondContact O-N 3.24Å; G230-N307 WeakPolarHBondContact CA-OD1 3.38Å
231D86.6Confident89.4Confident128 Ų12854.5 Ų54.568%0.68428%0.277SS*.SBendtrans-70.3-20.3-177.3-63.6-25.8000113.2N307D231-N307 PolarHBondContact N-OD1 3.49Å; D231-N307 VanDerWaalsContact N-OD1 3.11Å; D231-N307 PolarHBondContact OD2-ND2 2.91Å
232I87.3Confident89.8Confident39 Ų3954.5 Ų54.520%0.228%0.276CS..  trans-87.4118.1-176.7-65.7172.8000110.1G230 V235 K310 M312G230-I232 PolarHBondContact O-N 3.24Å; I232-V235 HydrophobicContact CG2-CG2 3.75Å; I232-K310 HydrophobicContact CD1-CB 3.48Å; I232-K310 VanDerWaalsContact CD1-CB 3.48Å; I232-K310 HydrophobicContact CD1-CG 4.19Å; I232-K310 VanDerWaalsContact CD1-O 3.26Å; I232-K310 WeakPolarHBondContact CD1-O 3.07Å; I232-M312 HydrophobicContact CB-CB 4.34Å; I232-M312 HydrophobicContact CG2-CB 4.17Å; I232-M312 WeakPolarHBondContact O-CG 3.46Å
233T87.5Confident90Very high76 Ų7654.5 Ų54.547%0.46628%0.276SS..  trans-99.4-17.1-177.255.80000113.8Y352 L353T233-Y352 CarbonylContact O-C 3.6Å; T233-Y352 WeakPolarHBondContact O-CA 3.33Å; T233-L353 PolarHBondContact O-N 2.9Å
234S89.9Confident90.1Very high81 Ų8157.5 Ų57.557%0.56630%0.298SS*.EExtended strand (participates in β ladder)trans-147.1137.8179.763.20000113.3V351S234-V351 CarbonylContact C-O 3.4Å; S234-V351 WeakPolarHBondContact CA-O 3.49Å
235V91.3Very high90Very high21 Ų2158 Ų5813%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-137.7128.5178.6-178.10000108.6I232 A238 N290 V291 M312 V351I232-V235 HydrophobicContact CG2-CG2 3.75Å; V235-A238 HydrophobicContact CB-CB 4.45Å; V235-A238 HydrophobicContact CG1-CB 3.94Å; V235-N290 HydrophobicContact CG1-CB 3.86Å; V235-V291 HydrophobicContact CB-CG2 4.18Å; V235-V291 HydrophobicContact CG1-CG2 4.27Å; V235-V291 HydrophobicContact CG2-CG2 4.15Å; V235-M312 HydrophobicContact CG2-CB 4.05Å; V235-M312 HydrophobicContact CG2-SD 4.17Å; V235-V351 PolarHBondContact N-O 3.34Å; V235-V351 PolarHBondContact O-N 2.86Å
236K90.5Very high90.1Very high171 Ų17155.9 Ų55.974%0.74330%0.298SS*.EExtended strand (participates in β ladder)trans-97.4146169.1-59-168.1174-174.30109.5D349K236-D349 CarbonylContact C-O 3.54Å; K236-D349 WeakPolarHBondContact CA-O 3.4Å
237D90.2Very high90.2Very high92 Ų9251.3 Ų51.349%0.49228%0.278SS..EExtended strand (participates in β ladder)trans48.963.8-175.8-171.99.7000110.9K239 H347 D349D237-K239 PolarHBondContact O-N 3.38Å; D237-H347 IonicContact OD1-CD2 2.59Å; D237-H347 PolarHBondContact OD1-CD2 3.31Å; D237-H347 IonicContact OD1-NE2 2.83Å; D237-H347 PolarHBondContact OD1-NE2 3.13Å; D237-D349 PolarHBondContact N-O 3.07Å
238A90Very high90.4Very high0 Ų048.5 Ų48.50%027%0.267CS..EExtended strand (participates in β ladder)trans-81.4115.3-173.900000110.8V235 I240 V291 C348 V351V235-A238 HydrophobicContact CB-CB 4.45Å; V235-A238 HydrophobicContact CG1-CB 3.94Å; A238-I240 HydrophobicContact CB-CD1 4.41Å; A238-I240 HydrophobicContact CB-CG1 4.16Å; A238-V291 HydrophobicContact CB-CG2 3.72Å; A238-C348 WeakPolarHBondContact CA-O 3.43Å; A238-C348 HydrophobicContact CB-CB 4.37Å; A238-C348 WeakPolarHBondContact CB-O 3.25Å; A238-C348 PolarHBondContact N-O 3.08Å; A238-C348 PolarHBondContact O-N 3.07Å; A238-V351 HydrophobicContact CB-CB 4.39Å; A238-V351 HydrophobicContact CB-CG2 3.65Å
239K93.4Very high90.2Very high99 Ų9948.9 Ų48.943%0.4327%0.268SS..EExtended strand (participates in β ladder)trans-83.2117.9160.9-66.7-179.8179.8-178.10109.4D237 G288 N290 V291 M345 G346D237-K239 PolarHBondContact O-N 3.38Å; K239-G288 WeakPolarHBondContact CB-O 3.2Å; K239-G288 WeakPolarHBondContact CD-O 3.24Å; K239-N290 PolarHBondContact O-N 3.48Å; K239-V291 PolarHBondContact O-N 3.24Å; K239-V291 VanDerWaalsContact O-N 3.09Å; K239-M345 HydrophobicContact CB-SD 4.32Å; K239-G346 CarbonylContact C-O 3.55Å; K239-G346 WeakPolarHBondContact CA-O 3.46Å
240I93.4Very high89.7Confident0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-110.3121.2-168.5-48.1-164.4000110A238 V242 V291 V293 V329 G346 C348 V351 F364A238-I240 HydrophobicContact CB-CD1 4.41Å; A238-I240 HydrophobicContact CB-CG1 4.16Å; I240-V242 HydrophobicContact CG2-CG2 4.04Å; I240-V291 WeakPolarHBondContact CA-O 3.39Å; I240-V291 HydrophobicContact CG1-CB 4.17Å; I240-V291 HydrophobicContact CG2-CB 4.42Å; I240-V291 HydrophobicContact CG2-CG1 4.41Å; I240-V293 HydrophobicContact CG2-CG2 3.7Å; I240-V329 HydrophobicContact CB-CG1 4Å; I240-V329 HydrophobicContact CD1-CG1 3.64Å; I240-V329 HydrophobicContact CD1-CG2 4.11Å; I240-V329 HydrophobicContact CG1-CG1 3.89Å; I240-G346 PolarHBondContact N-O 2.76Å; I240-G346 PolarHBondContact O-N 3.02Å; I240-C348 HydrophobicContact CD1-CB 3.57Å; I240-C348 HydrophobicContact CG1-CB 4.34Å; I240-V351 HydrophobicContact CD1-CG2 3.93Å; I240-F364 HydrophobicContact CD1-CD1 3.7Å; I240-F364 HydrophobicContact CD1-CE1 3.77Å
241A94.8Very high89.6Confident1 Ų155.6 Ų55.61%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-97.1125.8167.700000109.1F243 A289 V291 V292 V293 P340A241-F243 HydrophobicContact CB-CE2 3.89Å; A241-F243 HydrophobicContact CB-CZ 4.24Å; A241-A289 HydrophobicContact CB-CB 4.17Å; A241-V291 PolarHBondContact N-O 2.95Å; A241-V292 WeakPolarHBondContact O-CA 3.36Å; A241-V293 PolarHBondContact O-N 3.26Å; A241-P340 HydrophobicContact CB-CG 3.65Å
242V94.8Very high89.5Confident1 Ų153.4 Ų53.41%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-110123.3179.8-174.70000109.4I240 V293 L322 A331 A333 L334I240-V242 HydrophobicContact CG2-CG2 4.04Å; V242-V293 CarbonylContact C-O 3.59Å; V242-V293 WeakPolarHBondContact CA-O 3.45Å; V242-V293 HydrophobicContact CG1-CB 4.46Å; V242-V293 HydrophobicContact CG2-CB 4.32Å; V242-L322 HydrophobicContact CG1-CD1 4.23Å; V242-L322 HydrophobicContact CG1-CD2 3.51Å; V242-L322 HydrophobicContact CG1-CG 3.7Å; V242-A331 HydrophobicContact CB-CB 4.4Å; V242-A331 HydrophobicContact CG2-CB 3.65Å; V242-A333 HydrophobicContact CG1-CB 4.35Å; V242-A333 WeakPolarHBondContact O-CA 3.49Å; V242-L334 PolarHBondContact O-N 3.27Å
243F93.9Very high89.4Confident0 Ų061.6 Ų61.60%034%0.336CS..EExtended strand (participates in β ladder)trans-114.3127.8177.4-63.8-74.5000110.7A241 C245 I284 V292 V293 T294 G295 L334 K336 P340A241-F243 HydrophobicContact CB-CE2 3.89Å; A241-F243 HydrophobicContact CB-CZ 4.24Å; F243-C245 VanDerWaalsContact C-N 3.3Å; F243-I284 HydrophobicContact CE2-CD1 3.96Å; F243-I284 HydrophobicContact CZ-CD1 3.81Å; F243-I284 HydrophobicContact CZ-CG1 4.19Å; F243-V292 HydrophobicContact CD2-CG1 3.69Å; F243-V292 HydrophobicContact CE2-CG1 3.78Å; F243-V293 PolarHBondContact N-O 2.93Å; F243-T294 HydrophobicContact CB-CG2 4.3Å; F243-T294 HydrophobicContact CD2-CG2 4.37Å; F243-T294 CarbonylContact O-C 3.57Å; F243-T294 WeakPolarHBondContact O-CA 3.37Å; F243-G295 PolarHBondContact O-N 3.37Å; F243-L334 CarbonylContact C-O 3.49Å; F243-L334 VanDerWaalsContact CA-O 3.3Å; F243-L334 WeakPolarHBondContact CA-O 3.42Å; F243-L334 HydrophobicContact CD1-CB 3.69Å; F243-L334 HydrophobicContact CD1-CD1 4.42Å; F243-L334 HydrophobicContact CE1-CB 3.9Å; F243-L334 HydrophobicContact CE1-CD1 3.8Å; F243-L334 HydrophobicContact CE1-CG 4.49Å; F243-L334 HydrophobicContact CZ-CD1 4.44Å; F243-K336 VanDerWaalsContact CD1-O 3.3Å; F243-K336 WeakPolarHBondContact CD1-O 3.35Å; F243-K336 VanDerWaalsContact CE1-O 3.26Å; F243-K336 WeakPolarHBondContact CE1-O 3.36Å; F243-P340 HydrophobicContact CZ-CG 4.33Å
244S93.1Very high89.5Confident65 Ų6563.3 Ų63.346%0.45535%0.346SS..SBendtrans-79.8-1617267.70000112.8L334 P335S244-L334 PolarHBondContact N-O 3.15Å; S244-L334 PolarHBondContact OG-O 3.34Å; S244-P335 WeakPolarHBondContact OG-CA 3.32Å
245C90.3Very high89.2Confident13 Ų1368.6 Ų68.69%0.08836%0.359CS..SBendtrans-83.6163.5175.563.50000111.9F243 P335F243-C245 VanDerWaalsContact C-N 3.3Å; C245-P335 WeakPolarHBondContact CB-O 3.32Å
246P91.8Very high88.7Confident59 Ų5970.2 Ų70.238%0.38338%0.38SS..  trans-59.2155.9162.327.6-35.4000111.4D248 K297P246-D248 VanDerWaalsContact C-N 3.34Å; P246-D248 HydrophobicContact CB-CB 4.4Å; P246-D248 PolarHBondContact O-N 3.42Å; P246-K297 CarbonylContact C-O 3.6Å; P246-K297 WeakPolarHBondContact CA-O 3.08Å; P246-K297 VanDerWaalsContact CB-O 3.27Å; P246-K297 WeakPolarHBondContact CB-O 3.43Å
247F90.8Very high88.4Confident1 Ų167 Ų670%0.00438%0.375CS..BIsolated β-bridgetrans-91.573.7174-156.1-114.6000108.9V281 I284 V292 T294 K297 V298 A299 A302 A306 M337F247-V281 HydrophobicContact CE1-CG2 4.15Å; F247-V281 HydrophobicContact CZ-CG2 3.98Å; F247-I284 HydrophobicContact CE2-CD1 3.96Å; F247-I284 HydrophobicContact CZ-CD1 4.37Å; F247-V292 HydrophobicContact CD2-CG1 4.06Å; F247-V292 HydrophobicContact CE2-CG1 3.72Å; F247-V292 HydrophobicContact CZ-CG1 4.3Å; F247-T294 HydrophobicContact CB-CG2 3.57Å; F247-T294 HydrophobicContact CD2-CG2 3.69Å; F247-T294 HydrophobicContact CG-CG2 3.87Å; F247-K297 PolarHBondContact N-O 2.91Å; F247-V298 HydrophobicContact CB-CB 4.42Å; F247-V298 HydrophobicContact CB-CG1 4.29Å; F247-V298 HydrophobicContact CB-CG2 4.16Å; F247-V298 HydrophobicContact CD1-CG1 4.1Å; F247-A299 PolarHBondContact O-N 2.67Å; F247-A302 HydrophobicContact CD1-CB 3.47Å; F247-A302 VanDerWaalsContact CD1-CB 3.47Å; F247-A302 HydrophobicContact CE1-CB 3.76Å; F247-A302 HydrophobicContact CG-CB 4.43Å; F247-A302 WeakPolarHBondContact O-CB 3.21Å; F247-A306 HydrophobicContact CE1-CB 4.37Å; F247-M337 HydrophobicContact CD1-CE 4.33Å; F247-M337 HydrophobicContact CD2-CE 3.73Å; F247-M337 HydrophobicContact CD2-CG 4.41Å; F247-M337 HydrophobicContact CD2-SD 3.64Å; F247-M337 HydrophobicContact CE1-CE 3.86Å; F247-M337 HydrophobicContact CE2-CE 3.18Å; F247-M337 HydrophobicContact CE2-CG 4.23Å; F247-M337 HydrophobicContact CE2-SD 3.69Å; F247-M337 HydrophobicContact CG-CE 4.28Å; F247-M337 HydrophobicContact CG-SD 4.23Å; F247-M337 HydrophobicContact CZ-CE 3.26Å; F247-M337 HydrophobicContact CZ-SD 4.31Å
248D89.9Confident88.1Confident60 Ų6066.9 Ų66.932%0.32138%0.377SS..SBendtrans-156.5166.3-171.2-163.56.9000110.7P246 M250 A299P246-D248 VanDerWaalsContact C-N 3.34Å; P246-D248 HydrophobicContact CB-CB 4.4Å; P246-D248 PolarHBondContact O-N 3.42Å; D248-M250 PolarHBondContact O-N 2.87Å; D248-A299 HydrophobicContact CB-CB 4.03Å; D248-A299 VanDerWaalsContact OD1-CB 3.28Å; D248-A299 WeakPolarHBondContact OD1-CB 3.5Å
249C82.3Confident88Confident25 Ų2573 Ų7317%0.16941%0.409CS..  trans-51.8135.3167.6-74.50000110.6V251 M277C249-V251 PolarHBondContact O-N 3.25Å; C249-V251 VanDerWaalsContact O-N 3.14Å; C249-M277 HydrophobicContact CB-SD 4.42Å; C249-M277 VanDerWaalsContact SG-CG 3.53Å; C249-M277 PolarHBondContact SG-SD 3.49Å
250M78.8Confident87.9Confident111 Ų11171.7 Ų71.755%0.54741%0.406SS..  trans-70113.4177.7-73.4-66.4-138.600110.5D248 K336D248-M250 PolarHBondContact O-N 2.87Å; M250-K336 HydrophobicContact CE-CB 3.87Å; M250-K336 HydrophobicContact CE-CD 4.33Å; M250-K336 HydrophobicContact CE-CG 3.62Å
251V81.1Confident87.8Confident124 Ų12477.9 Ų77.975%0.75244%0.439SS*.  trans-86.6139.8173.5-170.90000109.6C249C249-V251 PolarHBondContact O-N 3.25Å; C249-V251 VanDerWaalsContact O-N 3.14Å
252T83.9Confident87.8Confident83 Ų8379.9 Ų79.951%0.50945%0.453SS..  trans-67.7138.4172.954.40000110.7T254 G256T252-T254 VanDerWaalsContact C-N 3.27Å; T252-T254 CarbonylContact C-O 3.43Å; T252-T254 WeakPolarHBondContact CB-O 3.45Å; T252-T254 PolarHBondContact O-N 2.6Å; T252-T254 PolarHBondContact OG1-O 3.08Å; T252-G256 PolarHBondContact OG1-N 2.78Å
253E85.9Confident87.6Confident210 Ų21083.7 Ų83.798%0.98149%0.485SS*.SBendtrans-62.2-36.5177.7-65.7-173.7162.900112.3
254T88.9Confident87.5Confident113 Ų11390.9 Ų90.969%0.69352%0.518SS*.SBendtrans-78.5152.2169.452.70000110.5T252 G256T252-T254 VanDerWaalsContact C-N 3.27Å; T252-T254 CarbonylContact C-O 3.43Å; T252-T254 WeakPolarHBondContact CB-O 3.45Å; T252-T254 PolarHBondContact O-N 2.6Å; T252-T254 PolarHBondContact OG1-O 3.08Å; T254-G256 PolarHBondContact O-N 3.31Å
255K84.5Confident87.4Confident192 Ų19291.6 Ų91.684%0.83552%0.515SS*.  trans-54.198.1177.2-170.3179-178.8179.10111.2T257K255-T257 HydrophobicContact CG-CG2 4.25Å
256G80.8Confident87.3Confident55 Ų5595.7 Ų95.757%0.56754%0.535SS*.  trans-87.4107.1172.700000108.9T252 T254T252-G256 PolarHBondContact OG1-N 2.78Å; T254-G256 PolarHBondContact O-N 3.31Å
257T83.9Confident87.2Confident104 Ų10499 Ų9964%0.63855%0.547SS*.  trans-96.7119.9172.250.60000109.1K255 L259K255-T257 HydrophobicContact CG-CG2 4.25Å; T257-L259 PolarHBondContact O-N 3.44Å
258V83.6Confident87.2Confident88 Ų88104.2 Ų104.253%0.53358%0.575SS.*  trans-70.4118.8170.5-170.80000107.7I260 F269V258-I260 HydrophobicContact CG1-CD1 4.16Å; V258-I260 HydrophobicContact CG1-CG1 3.84Å; V258-F269 HydrophobicContact CB-CE2 4.47Å; V258-F269 HydrophobicContact CB-CZ 4.4Å; V258-F269 HydrophobicContact CG1-CD2 3.85Å; V258-F269 HydrophobicContact CG1-CE1 4.36Å; V258-F269 HydrophobicContact CG1-CE2 3.6Å; V258-F269 HydrophobicContact CG1-CG 4.34Å; V258-F269 HydrophobicContact CG1-CZ 3.89Å; V258-F269 HydrophobicContact CG2-CE1 4.47Å; V258-F269 HydrophobicContact CG2-CE2 3.99Å; V258-F269 HydrophobicContact CG2-CZ 3.7Å
259L88.2Confident87.2Confident128 Ų128105.8 Ų105.867%0.6758%0.579SS**  trans-100.2110179.6-166.8142.8000108.3T257 N261T257-L259 PolarHBondContact O-N 3.44Å; L259-N261 WeakPolarHBondContact CD2-ND2 3.23Å; L259-N261 VanDerWaalsContact CD2-OD1 3.24Å; L259-N261 WeakPolarHBondContact CD2-OD1 3.45Å
260I91.5Very high87.5Confident72 Ų72107.3 Ų107.337%0.36959%0.59SS.*  trans-112.2113.7-176.6-57.9175.8000107.5V258 S262 E265 L266V258-I260 HydrophobicContact CG1-CD1 4.16Å; V258-I260 HydrophobicContact CG1-CG1 3.84Å; I260-S262 WeakPolarHBondContact CG2-O 3.45Å; I260-E265 HydrophobicContact CG2-CB 4.06Å; I260-L266 HydrophobicContact CD1-CG 4.38Å; I260-L266 HydrophobicContact CG2-CB 3.9Å
261N91.6Very high88Confident131 Ų131107.9 Ų107.970%0.70159%0.589SS**  trans-99.1-23.7-178.6-66.8-45.8000112.7L259 E265L259-N261 WeakPolarHBondContact CD2-ND2 3.23Å; L259-N261 VanDerWaalsContact CD2-OD1 3.24Å; L259-N261 WeakPolarHBondContact CD2-OD1 3.45Å; N261-E265 PolarHBondContact N-OE2 2.81Å
262S93.6Very high88.5Confident43 Ų43103.6 Ų103.630%0.30157%0.57SS.*SBendtrans-128.3152.8-176.671.60000113I260 Q264 E265 L266I260-S262 WeakPolarHBondContact CG2-O 3.45Å; S262-Q264 PolarHBondContact O-N 3.4Å; S262-E265 PolarHBondContact N-OE2 2.85Å; S262-E265 WeakPolarHBondContact O-CB 3.45Å; S262-E265 PolarHBondContact O-N 3.24Å; S262-E265 WeakPolarHBondContact OG-CB 3.5Å; S262-E265 WeakPolarHBondContact OG-CG 3.45Å; S262-E265 PolarHBondContact OG-N 3.42Å; S262-E265 PolarHBondContact OG-OE1 3.49Å; S262-L266 PolarHBondContact O-N 3.38Å
263A90.9Very high88.6Confident81 Ų81103 Ų10367%0.66956%0.562SS**Hα-helixtrans-63.9-28.8176.100000112.6L266 M267A263-L266 PolarHBondContact O-N 3.23Å; A263-M267 PolarHBondContact O-N 2.78Å
264Q91.1Very high88.8Confident150 Ų15096.7 Ų96.770%0.70153%0.532SS*.Hα-helixtrans-70.1-40175.1-70.3179.4-4.400111.6S262 L266 M267 N268S262-Q264 PolarHBondContact O-N 3.4Å; Q264-L266 VanDerWaalsContact C-N 3.28Å; Q264-L266 PolarHBondContact O-N 3.03Å; Q264-M267 PolarHBondContact O-N 3.2Å; Q264-N268 WeakPolarHBondContact O-CB 3.49Å; Q264-N268 VanDerWaalsContact O-CG 3.29Å; Q264-N268 PolarHBondContact O-N 3.28Å
265E90.9Very high88.9Confident81 Ų8196.2 Ų96.238%0.37953%0.525SS..Hα-helixtrans-59.9-38.6172.9-78.9157-138.200111.8I260 N261 S262 N268 F269I260-E265 HydrophobicContact CG2-CB 4.06Å; N261-E265 PolarHBondContact N-OE2 2.81Å; S262-E265 PolarHBondContact N-OE2 2.85Å; S262-E265 WeakPolarHBondContact O-CB 3.45Å; S262-E265 PolarHBondContact O-N 3.24Å; S262-E265 WeakPolarHBondContact OG-CB 3.5Å; S262-E265 WeakPolarHBondContact OG-CG 3.45Å; S262-E265 PolarHBondContact OG-N 3.42Å; S262-E265 PolarHBondContact OG-OE1 3.49Å; E265-N268 PolarHBondContact O-N 3.36Å; E265-F269 WeakPolarHBondContact O-CB 3.22Å; E265-F269 PolarHBondContact O-N 2.63Å
266L88.9Confident89.2Confident99 Ų9992.1 Ų92.152%0.51851%0.51SS..Hα-helixtrans-60.9-50.3176.7-165.1159.8000111.6I260 S262 A263 Q264 N268 F269 S270I260-L266 HydrophobicContact CD1-CG 4.38Å; I260-L266 HydrophobicContact CG2-CB 3.9Å; S262-L266 PolarHBondContact O-N 3.38Å; A263-L266 PolarHBondContact O-N 3.23Å; Q264-L266 VanDerWaalsContact C-N 3.28Å; Q264-L266 PolarHBondContact O-N 3.03Å; L266-N268 PolarHBondContact O-N 2.65Å; L266-F269 PolarHBondContact O-N 2.96Å; L266-S270 PolarHBondContact O-N 3.14Å
267M89.1Confident89.7Confident129 Ų12989.5 Ų89.564%0.63548%0.483SS*.Hα-helixtrans-64.5-40.1179.3-70.7-171.3177.800112.3A263 Q264 K271A263-M267 PolarHBondContact O-N 2.78Å; Q264-M267 PolarHBondContact O-N 3.2Å; M267-K271 WeakPolarHBondContact O-CG 3.44Å; M267-K271 PolarHBondContact O-N 3.01Å; M267-K271 VanDerWaalsContact O-N 3.11Å
268N91.4Very high90.1Very high109 Ų10986.6 Ų86.658%0.58346%0.462SS*.Hα-helixtrans-70.3-34.4178.1-71.4-12.4000112Q264 E265 L266 G272Q264-N268 WeakPolarHBondContact O-CB 3.49Å; Q264-N268 VanDerWaalsContact O-CG 3.29Å; Q264-N268 PolarHBondContact O-N 3.28Å; E265-N268 PolarHBondContact O-N 3.36Å; L266-N268 PolarHBondContact O-N 2.65Å; N268-G272 WeakPolarHBondContact O-CA 3.47Å; N268-G272 PolarHBondContact O-N 3.38Å
269F89.4Confident90.5Very high94 Ų9485.1 Ų85.141%0.41246%0.46SS..Hα-helixtrans-64.3-48.5175.1-179.7-95.4000110.8V258 E265 L266 K271 G272 E273V258-F269 HydrophobicContact CB-CE2 4.47Å; V258-F269 HydrophobicContact CB-CZ 4.4Å; V258-F269 HydrophobicContact CG1-CD2 3.85Å; V258-F269 HydrophobicContact CG1-CE1 4.36Å; V258-F269 HydrophobicContact CG1-CE2 3.6Å; V258-F269 HydrophobicContact CG1-CG 4.34Å; V258-F269 HydrophobicContact CG1-CZ 3.89Å; V258-F269 HydrophobicContact CG2-CE1 4.47Å; V258-F269 HydrophobicContact CG2-CE2 3.99Å; V258-F269 HydrophobicContact CG2-CZ 3.7Å; E265-F269 WeakPolarHBondContact O-CB 3.22Å; E265-F269 PolarHBondContact O-N 2.63Å; L266-F269 PolarHBondContact O-N 2.96Å; F269-K271 PolarHBondContact O-N 3.1Å; F269-G272 PolarHBondContact O-N 3.26Å; F269-E273 PolarHBondContact O-N 2.98Å
270S89Confident90.7Very high56 Ų5681.3 Ų81.339%0.39244%0.438SS..Hα-helixtrans-58.3-46.8177.2-168.60000111.9L266 E274L266-S270 PolarHBondContact O-N 3.14Å; S270-E274 WeakPolarHBondContact O-CG 2.7Å; S270-E274 PolarHBondContact O-N 3.42Å
271K90.4Very high90.7Very high124 Ų12477.9 Ų77.954%0.53942%0.421SS..Hα-helixtrans-67.8-38.5177.1-71.4179.8178.9-178.10112.7M267 F269 E273 E274 D275M267-K271 WeakPolarHBondContact O-CG 3.44Å; M267-K271 PolarHBondContact O-N 3.01Å; M267-K271 VanDerWaalsContact O-N 3.11Å; F269-K271 PolarHBondContact O-N 3.1Å; K271-E273 VanDerWaalsContact C-N 3.31Å; K271-E273 PolarHBondContact O-N 3.43Å; K271-E274 WeakPolarHBondContact O-CB 3.46Å; K271-E274 PolarHBondContact O-N 3.06Å; K271-D275 WeakPolarHBondContact O-CB 3.37Å; K271-D275 VanDerWaalsContact O-CG 3.25Å; K271-D275 PolarHBondContact O-N 2.99Å
272G90.6Very high90.8Very high33 Ų3376 Ų7634%0.3441%0.407SS..Hα-helixtrans-65.7-35179.200000112.6N268 F269 M276N268-G272 WeakPolarHBondContact O-CA 3.47Å; N268-G272 PolarHBondContact O-N 3.38Å; F269-G272 PolarHBondContact O-N 3.26Å; G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.23Å
273E86.9Confident90.8Very high72 Ų7275.5 Ų75.534%0.33640%0.404SS..Hα-helixtrans-67.9-44.5173.7-167172.2-16800111.4F269 K271 M276 M277F269-E273 PolarHBondContact O-N 2.98Å; K271-E273 VanDerWaalsContact C-N 3.31Å; K271-E273 PolarHBondContact O-N 3.43Å; E273-M276 PolarHBondContact O-N 2.66Å; E273-M277 WeakPolarHBondContact O-CG 3.35Å; E273-M277 PolarHBondContact O-N 3.43Å
274E90Very high90.9Very high77 Ų7771.6 Ų71.636%0.3637%0.373SS..Hα-helixtrans-57.9-51.4172.9-75.1175.7-176.400112.1S270 K271 M276 M277 E278 M301S270-E274 WeakPolarHBondContact O-CG 2.7Å; S270-E274 PolarHBondContact O-N 3.42Å; K271-E274 WeakPolarHBondContact O-CB 3.46Å; K271-E274 PolarHBondContact O-N 3.06Å; E274-M276 VanDerWaalsContact C-N 3.32Å; E274-M276 PolarHBondContact O-N 3.44Å; E274-M277 PolarHBondContact O-N 2.84Å; E274-E278 WeakPolarHBondContact O-CB 3.36Å; E274-E278 PolarHBondContact O-N 2.94Å; E274-M301 HydrophobicContact CB-SD 4.34Å; E274-M301 HydrophobicContact CG-CE 3.59Å; E274-M301 HydrophobicContact CG-SD 3.83Å
275D91.4Very high91Very high102 Ų10267.3 Ų67.355%0.54535%0.352SS..Hα-helixtrans-63.1-37.6179.5-72.1-26.1000111.7K271 A279K271-D275 WeakPolarHBondContact O-CB 3.37Å; K271-D275 VanDerWaalsContact O-CG 3.25Å; K271-D275 PolarHBondContact O-N 2.99Å; D275-A279 VanDerWaalsContact O-CB 3.25Å; D275-A279 WeakPolarHBondContact O-CB 3.29Å; D275-A279 PolarHBondContact O-N 3.47Å
276M89.9Confident91.1Very high106 Ų10670 Ų7052%0.52236%0.364SS..Hα-helixtrans-65-45.3177.1-175.6-179.3-57.100111.2G272 E273 E274 A279 Q280G272-M276 WeakPolarHBondContact O-CB 3.37Å; G272-M276 PolarHBondContact O-N 3.23Å; E273-M276 PolarHBondContact O-N 2.66Å; E274-M276 VanDerWaalsContact C-N 3.32Å; E274-M276 PolarHBondContact O-N 3.44Å; M276-A279 PolarHBondContact O-N 3.18Å; M276-Q280 WeakPolarHBondContact O-CG 3.07Å; M276-Q280 PolarHBondContact O-N 3.38Å
277M90.8Very high91.2Very high1 Ų167.1 Ų67.11%0.00535%0.354CS..Hα-helixtrans-67.3-41.9177.8-72.7-56.1-73.800111.7C249 E273 E274 A279 Q280 V281 M301 A302 Y305 M337C249-M277 HydrophobicContact CB-SD 4.42Å; C249-M277 VanDerWaalsContact SG-CG 3.53Å; C249-M277 PolarHBondContact SG-SD 3.49Å; E273-M277 WeakPolarHBondContact O-CG 3.35Å; E273-M277 PolarHBondContact O-N 3.43Å; E274-M277 PolarHBondContact O-N 2.84Å; M277-A279 VanDerWaalsContact C-N 3.33Å; M277-A279 PolarHBondContact O-N 3.04Å; M277-Q280 PolarHBondContact O-N 2.74Å; M277-V281 WeakPolarHBondContact O-CG2 3.43Å; M277-V281 PolarHBondContact O-N 3.4Å; M277-M301 HydrophobicContact CB-CG 4.45Å; M277-M301 HydrophobicContact CB-SD 4.18Å; M277-M301 HydrophobicContact CG-SD 4.1Å; M277-A302 HydrophobicContact CE-CB 3.37Å; M277-Y305 HydrophobicContact CB-CD2 4.3Å; M277-Y305 HydrophobicContact CB-CE2 4.36Å; M277-M337 HydrophobicContact CE-CE 4.39Å
278E92.4Very high91.2Very high42 Ų4262.1 Ų62.120%0.19634%0.336CS..Hα-helixtrans-59.9-44.7174.3-176.7156.6-155.700111.3E274 Q280 V281 K282 Y305 K308 Y309E274-E278 WeakPolarHBondContact O-CB 3.36Å; E274-E278 PolarHBondContact O-N 2.94Å; E278-Q280 PolarHBondContact O-N 2.86Å; E278-V281 PolarHBondContact O-N 3.01Å; E278-K282 WeakPolarHBondContact O-CB 3.18Å; E278-K282 PolarHBondContact O-N 3.43Å; E278-Y305 HydrophobicContact CB-CD1 3.94Å; E278-Y305 HydrophobicContact CB-CD2 4.32Å; E278-Y305 HydrophobicContact CB-CE1 3.68Å; E278-Y305 HydrophobicContact CB-CE2 4.1Å; E278-Y305 HydrophobicContact CB-CG 4.26Å; E278-Y305 VanDerWaalsContact CD-CE1 3.44Å; E278-Y305 HydrophobicContact CG-CD1 3.91Å; E278-Y305 HydrophobicContact CG-CE1 3.82Å; E278-Y305 WeakPolarHBondContact OE2-CE1 3.29Å; E278-K308 IonicContact OE1-NZ 3.96Å; E278-K308 PolarHBondContact OE1-NZ 3.47Å; E278-K308 IonicContact OE2-NZ 3.35Å; E278-Y309 HydrophobicContact CG-CE2 4.2Å; E278-Y309 WeakPolarHBondContact CG-OH 3.44Å; E278-Y309 PolarHBondContact OE1-OH 3.39Å
279A92.6Very high91.3Very high58 Ų5857 Ų5748%0.47931%0.308SS..Hα-helixtrans-61.7-42.5178.500000112.5D275 M276 M277 A283D275-A279 VanDerWaalsContact O-CB 3.25Å; D275-A279 WeakPolarHBondContact O-CB 3.29Å; D275-A279 PolarHBondContact O-N 3.47Å; M276-A279 PolarHBondContact O-N 3.18Å; M277-A279 VanDerWaalsContact C-N 3.33Å; M277-A279 PolarHBondContact O-N 3.04Å; A279-A283 WeakPolarHBondContact O-CB 3.35Å; A279-A283 PolarHBondContact O-N 2.8Å
280Q91.8Very high91.4Very high48 Ų4854.7 Ų54.722%0.22430%0.301CS..Hα-helixtrans-65.9-47.8178.4-72.3-179.87.800112.2M276 M277 E278 K282 A283 I284 M337M276-Q280 WeakPolarHBondContact O-CG 3.07Å; M276-Q280 PolarHBondContact O-N 3.38Å; M277-Q280 PolarHBondContact O-N 2.74Å; E278-Q280 PolarHBondContact O-N 2.86Å; Q280-K282 VanDerWaalsContact C-N 3.33Å; Q280-K282 PolarHBondContact O-N 2.89Å; Q280-A283 PolarHBondContact O-N 3.43Å; Q280-I284 WeakPolarHBondContact O-CG1 3.34Å; Q280-I284 PolarHBondContact O-N 3.02Å; Q280-M337 HydrophobicContact CB-CE 4.05Å; Q280-M337 HydrophobicContact CB-CG 4.48Å
281V92.6Very high91.7Very high0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-65.5-39.9179179.70000110.8F247 M277 E278 A283 I284 K285 A306 Y309 L311 M337F247-V281 HydrophobicContact CE1-CG2 4.15Å; F247-V281 HydrophobicContact CZ-CG2 3.98Å; M277-V281 WeakPolarHBondContact O-CG2 3.43Å; M277-V281 PolarHBondContact O-N 3.4Å; E278-V281 PolarHBondContact O-N 3.01Å; V281-A283 VanDerWaalsContact C-N 3.35Å; V281-A283 PolarHBondContact O-N 2.64Å; V281-I284 PolarHBondContact O-N 3.4Å; V281-K285 PolarHBondContact O-N 3.39Å; V281-A306 HydrophobicContact CG1-CB 4.5Å; V281-Y309 HydrophobicContact CB-CD2 4.45Å; V281-Y309 HydrophobicContact CG1-CD2 3.79Å; V281-Y309 HydrophobicContact CG1-CE2 4.49Å; V281-L311 HydrophobicContact CG1-CD1 3.76Å; V281-M337 HydrophobicContact CG2-CE 3.57Å
282K93.7Very high91.8Very high92 Ų9246.1 Ų46.140%0.426%0.256SS..Hα-helixtrans-62.4-42.1176.2-169.9-175.1-174.9-150.80111.6E278 Q280 I284 K285 E286 Y309E278-K282 WeakPolarHBondContact O-CB 3.18Å; E278-K282 PolarHBondContact O-N 3.43Å; Q280-K282 VanDerWaalsContact C-N 3.33Å; Q280-K282 PolarHBondContact O-N 2.89Å; K282-I284 VanDerWaalsContact C-N 3.31Å; K282-I284 PolarHBondContact O-N 2.83Å; K282-K285 PolarHBondContact O-N 3.24Å; K282-K285 VanDerWaalsContact O-N 3.1Å; K282-E286 WeakPolarHBondContact CE-OE1 3.48Å; K282-E286 HydrophobicContact CG-CG 4.35Å; K282-E286 IonicContact NZ-OE1 2.73Å; K282-E286 PolarHBondContact NZ-OE1 2.69Å; K282-E286 WeakPolarHBondContact O-CB 3.38Å; K282-E286 WeakPolarHBondContact O-CG 3.44Å; K282-E286 PolarHBondContact O-N 3.13Å; K282-Y309 HydrophobicContact CB-CE2 4.2Å; K282-Y309 HydrophobicContact CG-CE1 4.27Å
283A93.1Very high92Very high31 Ų3144.6 Ų44.626%0.25624%0.24SC..Hα-helixtrans-61.9-37.917700000112.4A279 Q280 V281 K285 E286 A287 A339A279-A283 WeakPolarHBondContact O-CB 3.35Å; A279-A283 PolarHBondContact O-N 2.8Å; Q280-A283 PolarHBondContact O-N 3.43Å; V281-A283 VanDerWaalsContact C-N 3.35Å; V281-A283 PolarHBondContact O-N 2.64Å; A283-K285 VanDerWaalsContact C-N 3.34Å; A283-E286 PolarHBondContact O-N 3.42Å; A283-A287 WeakPolarHBondContact O-CB 3.35Å; A283-A287 PolarHBondContact O-N 2.73Å; A283-A339 HydrophobicContact CB-CB 4.14Å
284I92.8Very high92.3Very high0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-64.1-40.7173.8-65.2165.3000110.8F243 F247 Q280 V281 K282 A289 V292 M337F243-I284 HydrophobicContact CE2-CD1 3.96Å; F243-I284 HydrophobicContact CZ-CD1 3.81Å; F243-I284 HydrophobicContact CZ-CG1 4.19Å; F247-I284 HydrophobicContact CE2-CD1 3.96Å; F247-I284 HydrophobicContact CZ-CD1 4.37Å; Q280-I284 WeakPolarHBondContact O-CG1 3.34Å; Q280-I284 PolarHBondContact O-N 3.02Å; V281-I284 PolarHBondContact O-N 3.4Å; K282-I284 VanDerWaalsContact C-N 3.31Å; K282-I284 PolarHBondContact O-N 2.83Å; I284-A289 HydrophobicContact CG2-CB 3.78Å; I284-A289 PolarHBondContact O-N 3.23Å; I284-V292 HydrophobicContact CG2-CG2 3.99Å; I284-M337 HydrophobicContact CD1-CE 4.02Å; I284-M337 HydrophobicContact CD1-CG 3.97Å
285K93.4Very high92.3Very high60 Ų6038.3 Ų38.326%0.26122%0.215SC..Hα-helixtrans-69.3-41.8177.6-173.863.5-175.21750112.5V281 K282 A283 A287 G288 A289 N290 L311V281-K285 PolarHBondContact O-N 3.39Å; K282-K285 PolarHBondContact O-N 3.24Å; K282-K285 VanDerWaalsContact O-N 3.1Å; A283-K285 VanDerWaalsContact C-N 3.34Å; K285-A287 VanDerWaalsContact C-N 3.27Å; K285-A287 PolarHBondContact O-N 3.47Å; K285-G288 WeakPolarHBondContact O-CA 3.18Å; K285-G288 PolarHBondContact O-N 2.83Å; K285-A289 PolarHBondContact NZ-O 3.42Å; K285-N290 PolarHBondContact NZ-OD1 3.14Å; K285-L311 HydrophobicContact CB-CD1 4.49Å; K285-L311 HydrophobicContact CD-CD2 3.7Å; K285-L311 HydrophobicContact CD-CG 4.18Å
286E93Very high92.2Very high138 Ų13834.2 Ų34.265%0.64520%0.198SC*.Hα-helixtrans-64-32.6177.4-74.6177.4-179.300111.9K282 A283 G288K282-E286 WeakPolarHBondContact CE-OE1 3.48Å; K282-E286 HydrophobicContact CG-CG 4.35Å; K282-E286 IonicContact NZ-OE1 2.73Å; K282-E286 PolarHBondContact NZ-OE1 2.69Å; K282-E286 WeakPolarHBondContact O-CB 3.38Å; K282-E286 WeakPolarHBondContact O-CG 3.44Å; K282-E286 PolarHBondContact O-N 3.13Å; A283-E286 PolarHBondContact O-N 3.42Å; E286-G288 PolarHBondContact O-N 3.27Å
287A90.7Very high92.3Very high37 Ų3736.4 Ų36.431%0.30620%0.204SC..THydrogen-bonded Turntrans-65.7-14.5170.600000113.1A283 K285 M345A283-A287 WeakPolarHBondContact O-CB 3.35Å; A283-A287 PolarHBondContact O-N 2.73Å; K285-A287 VanDerWaalsContact C-N 3.27Å; K285-A287 PolarHBondContact O-N 3.47Å; A287-M345 HydrophobicContact CB-CE 3.43Å; A287-M345 VanDerWaalsContact CB-CE 3.43Å; A287-M345 WeakPolarHBondContact O-CE 3.24Å
288G89.8Confident92.3Very high25 Ų2537.4 Ų37.426%0.25821%0.21SC..THydrogen-bonded Turntrans98.313.1174.600000115K239 K285 E286K239-G288 WeakPolarHBondContact CB-O 3.2Å; K239-G288 WeakPolarHBondContact CD-O 3.24Å; K285-G288 WeakPolarHBondContact O-CA 3.18Å; K285-G288 PolarHBondContact O-N 2.83Å; E286-G288 PolarHBondContact O-N 3.27Å
289A92.4Very high92.3Very high0 Ų036.3 Ų36.30%021%0.209CC..  trans-69.7143.217500000111.4A241 I284 K285 L311 M345A241-A289 HydrophobicContact CB-CB 4.17Å; I284-A289 HydrophobicContact CG2-CB 3.78Å; I284-A289 PolarHBondContact O-N 3.23Å; K285-A289 PolarHBondContact NZ-O 3.42Å; A289-L311 WeakPolarHBondContact O-CD2 3.23Å; A289-M345 HydrophobicContact CB-CE 4.1Å; A289-M345 HydrophobicContact CB-SD 4.41Å
290N92.9Very high92.2Very high47 Ų4740.2 Ų40.225%0.25122%0.221SC..SBendtrans-114.8-30.7174.6-71-25.6000111.9V235 K239 K285 M312V235-N290 HydrophobicContact CG1-CB 3.86Å; K239-N290 PolarHBondContact O-N 3.48Å; K285-N290 PolarHBondContact NZ-OD1 3.14Å; N290-M312 PolarHBondContact O-N 2.98Å
291V93.6Very high92.2Very high0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-121.8133.6178-175.30000109V235 A238 K239 I240 A241 V293 M312 V314 V351 F364V235-V291 HydrophobicContact CB-CG2 4.18Å; V235-V291 HydrophobicContact CG1-CG2 4.27Å; V235-V291 HydrophobicContact CG2-CG2 4.15Å; A238-V291 HydrophobicContact CB-CG2 3.72Å; K239-V291 PolarHBondContact O-N 3.24Å; K239-V291 VanDerWaalsContact O-N 3.09Å; I240-V291 WeakPolarHBondContact CA-O 3.39Å; I240-V291 HydrophobicContact CG1-CB 4.17Å; I240-V291 HydrophobicContact CG2-CB 4.42Å; I240-V291 HydrophobicContact CG2-CG1 4.41Å; A241-V291 PolarHBondContact N-O 2.95Å; V291-V293 HydrophobicContact CG1-CG2 4.25Å; V291-M312 CarbonylContact C-O 3.47Å; V291-M312 WeakPolarHBondContact CA-O 3.47Å; V291-M312 HydrophobicContact CG1-CB 4.38Å; V291-M312 HydrophobicContact CG1-CG 4.45Å; V291-M312 HydrophobicContact CG2-CB 4.17Å; V291-M312 HydrophobicContact CG2-SD 4.38Å; V291-V314 HydrophobicContact CG1-CG2 4.39Å; V291-V351 HydrophobicContact CG2-CB 4.29Å; V291-V351 HydrophobicContact CG2-CG2 4.29Å; V291-F364 HydrophobicContact CG1-CE1 4.4Å
292V94.3Very high92.1Very high0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-116.5122.8175.4178.30000108.4A241 F243 F247 I284 T294 L311 M312 V313 V314A241-V292 WeakPolarHBondContact O-CA 3.36Å; F243-V292 HydrophobicContact CD2-CG1 3.69Å; F243-V292 HydrophobicContact CE2-CG1 3.78Å; F247-V292 HydrophobicContact CD2-CG1 4.06Å; F247-V292 HydrophobicContact CE2-CG1 3.72Å; F247-V292 HydrophobicContact CZ-CG1 4.3Å; I284-V292 HydrophobicContact CG2-CG2 3.99Å; V292-T294 HydrophobicContact CG1-CG2 3.85Å; V292-L311 HydrophobicContact CG2-CD1 4.41Å; V292-M312 PolarHBondContact N-O 2.84Å; V292-V313 WeakPolarHBondContact O-CA 3.46Å; V292-V314 PolarHBondContact O-N 2.78Å
293V94.5Very high92.1Very high0 Ų037.9 Ų37.90%021%0.213CC..EExtended strand (participates in β ladder)trans-110.7124.6177.5-1780000109I240 A241 V242 F243 V291 V314 L316 L325 F364I240-V293 HydrophobicContact CG2-CG2 3.7Å; A241-V293 PolarHBondContact O-N 3.26Å; V242-V293 CarbonylContact C-O 3.59Å; V242-V293 WeakPolarHBondContact CA-O 3.45Å; V242-V293 HydrophobicContact CG1-CB 4.46Å; V242-V293 HydrophobicContact CG2-CB 4.32Å; F243-V293 PolarHBondContact N-O 2.93Å; V291-V293 HydrophobicContact CG1-CG2 4.25Å; V293-V314 CarbonylContact C-O 3.56Å; V293-V314 VanDerWaalsContact CA-O 3.31Å; V293-V314 WeakPolarHBondContact CA-O 3.44Å; V293-V314 HydrophobicContact CG2-CB 4.37Å; V293-L316 HydrophobicContact CG1-CB 4.3Å; V293-L316 HydrophobicContact CG1-CD1 3.59Å; V293-L316 HydrophobicContact CG1-CG 3.88Å; V293-L325 HydrophobicContact CB-CD2 4.26Å; V293-L325 HydrophobicContact CG1-CD2 3.8Å; V293-L325 HydrophobicContact CG2-CD2 3.88Å; V293-F364 HydrophobicContact CG2-CE1 4.22Å; V293-F364 HydrophobicContact CG2-CZ 4.04Å
294T93.3Very high92.1Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-122.4134.3-174.3570000112.3F243 F247 V292 G296 V314 L316F243-T294 HydrophobicContact CB-CG2 4.3Å; F243-T294 HydrophobicContact CD2-CG2 4.37Å; F243-T294 CarbonylContact O-C 3.57Å; F243-T294 WeakPolarHBondContact O-CA 3.37Å; F247-T294 HydrophobicContact CB-CG2 3.57Å; F247-T294 HydrophobicContact CD2-CG2 3.69Å; F247-T294 HydrophobicContact CG-CG2 3.87Å; V292-T294 HydrophobicContact CG1-CG2 3.85Å; T294-G296 VanDerWaalsContact C-N 3.33Å; T294-V314 PolarHBondContact N-O 3.41Å; T294-L316 PolarHBondContact O-N 3.28Å
295G90.4Very high92.1Very high17 Ų1743 Ų4318%0.17523%0.231CC..SBendtrans-75.3-19.5178.400000114.8F243 L316F243-G295 PolarHBondContact O-N 3.37Å; G295-L316 VanDerWaalsContact CA-O 3.3Å; G295-L316 WeakPolarHBondContact CA-O 2.86Å
296G89.1Confident92.1Very high17 Ų1740.1 Ų40.118%0.17522%0.219CC..SBendtrans-111.1-158-17400000114.4T294 R315T294-G296 VanDerWaalsContact C-N 3.33Å; G296-R315 WeakPolarHBondContact O-CG 3.44Å; G296-R315 PolarHBondContact O-NE 3.43Å; G296-R315 VanDerWaalsContact O-NE 3.17Å
297K90.6Very high92.1Very high151 Ų15135.2 Ų35.266%0.65720%0.197SC*.  trans-73.2155.1169.9-66.7179.6179-176.50109.9P246 F247P246-K297 CarbonylContact C-O 3.6Å; P246-K297 WeakPolarHBondContact CA-O 3.08Å; P246-K297 VanDerWaalsContact CB-O 3.27Å; P246-K297 WeakPolarHBondContact CB-O 3.43Å; F247-K297 PolarHBondContact N-O 2.91Å
298V91.8Very high92.2Very high22 Ų2239.1 Ų39.113%0.13321%0.207CC..BIsolated β-bridgetrans-109.3129.3172-179.50000106.7F247 L303 V313F247-V298 HydrophobicContact CB-CB 4.42Å; F247-V298 HydrophobicContact CB-CG1 4.29Å; F247-V298 HydrophobicContact CB-CG2 4.16Å; F247-V298 HydrophobicContact CD1-CG1 4.1Å; V298-L303 HydrophobicContact CG1-CB 4.09Å; V298-L303 HydrophobicContact CG1-CD1 4.35Å; V298-V313 HydrophobicContact CG1-CG1 4.23Å; V298-V313 HydrophobicContact CG2-CG1 3.9Å
299A92.2Very high92.4Very high20 Ų2040.2 Ų40.217%0.16520%0.204CC..  trans-82.8145.7175.700000111.4F247 D248 M301 A302 L303F247-A299 PolarHBondContact O-N 2.67Å; D248-A299 HydrophobicContact CB-CB 4.03Å; D248-A299 VanDerWaalsContact OD1-CB 3.28Å; D248-A299 WeakPolarHBondContact OD1-CB 3.5Å; A299-M301 VanDerWaalsContact C-N 3.29Å; A299-M301 PolarHBondContact O-N 2.67Å; A299-A302 HydrophobicContact CB-CB 4.23Å; A299-A302 WeakPolarHBondContact O-CB 3.48Å; A299-A302 PolarHBondContact O-N 3.23Å; A299-A302 VanDerWaalsContact O-N 3.09Å; A299-L303 PolarHBondContact O-N 2.59Å
300D90.8Very high92.4Very high139 Ų13947.7 Ų47.774%0.74324%0.236SC*.Hα-helixtrans-60.5-38.1-176.9-61-23.4000112.4L303 H304D300-L303 PolarHBondContact O-N 3.09Å; D300-H304 WeakPolarHBondContact O-CB 3.29Å; D300-H304 PolarHBondContact O-N 3Å
301M90.8Very high92.3Very high62 Ų6245.4 Ų45.431%0.30522%0.224SC..Hα-helixtrans-65-43.6176.2-171.6-176.7-70.900111.4E274 M277 A299 L303 H304 Y305E274-M301 HydrophobicContact CB-SD 4.34Å; E274-M301 HydrophobicContact CG-CE 3.59Å; E274-M301 HydrophobicContact CG-SD 3.83Å; M277-M301 HydrophobicContact CB-CG 4.45Å; M277-M301 HydrophobicContact CB-SD 4.18Å; M277-M301 HydrophobicContact CG-SD 4.1Å; A299-M301 VanDerWaalsContact C-N 3.29Å; A299-M301 PolarHBondContact O-N 2.67Å; M301-L303 VanDerWaalsContact C-N 3.32Å; M301-L303 PolarHBondContact O-N 2.84Å; M301-H304 PolarHBondContact O-N 3.43Å; M301-Y305 HydrophobicContact CG-CD2 4.15Å; M301-Y305 HydrophobicContact CG-CE2 3.75Å; M301-Y305 WeakPolarHBondContact O-CD2 3.49Å; M301-Y305 PolarHBondContact O-N 3.31Å; M301-Y305 HydrophobicContact SD-CE2 4.49Å
302A91.6Very high92.3Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-63.1-41.1176.300000111.3F247 M277 A299 Y305 A306F247-A302 HydrophobicContact CD1-CB 3.47Å; F247-A302 VanDerWaalsContact CD1-CB 3.47Å; F247-A302 HydrophobicContact CE1-CB 3.76Å; F247-A302 HydrophobicContact CG-CB 4.43Å; F247-A302 WeakPolarHBondContact O-CB 3.21Å; M277-A302 HydrophobicContact CE-CB 3.37Å; A299-A302 HydrophobicContact CB-CB 4.23Å; A299-A302 WeakPolarHBondContact O-CB 3.48Å; A299-A302 PolarHBondContact O-N 3.23Å; A299-A302 VanDerWaalsContact O-N 3.09Å; A302-Y305 PolarHBondContact O-N 2.85Å; A302-A306 WeakPolarHBondContact O-CB 3.21Å; A302-A306 PolarHBondContact O-N 3.21Å
303L93.1Very high92.3Very high29 Ų2945.4 Ų45.415%0.15222%0.224CC..Hα-helixtrans-64.8-43.7177.4-174.464.4000111.9E229 V298 A299 D300 M301 Y305 A306 N307 V313E229-L303 HydrophobicContact CB-CD1 3.99Å; V298-L303 HydrophobicContact CG1-CB 4.09Å; V298-L303 HydrophobicContact CG1-CD1 4.35Å; A299-L303 PolarHBondContact O-N 2.59Å; D300-L303 PolarHBondContact O-N 3.09Å; M301-L303 VanDerWaalsContact C-N 3.32Å; M301-L303 PolarHBondContact O-N 2.84Å; L303-Y305 VanDerWaalsContact C-N 3.34Å; L303-Y305 PolarHBondContact O-N 3.47Å; L303-A306 PolarHBondContact O-N 3.17Å; L303-N307 WeakPolarHBondContact O-CB 2.93Å; L303-N307 PolarHBondContact O-N 3.14Å; L303-V313 HydrophobicContact CD1-CB 4.41Å; L303-V313 HydrophobicContact CD1-CG2 4.4Å
304H93.3Very high92.2Very high120 Ų12045.4 Ų45.456%0.55622%0.224SC*.Hα-helixtrans-57-46.8176172.2-95.5000111.6D300 M301 N307 K308D300-H304 WeakPolarHBondContact O-CB 3.29Å; D300-H304 PolarHBondContact O-N 3Å; M301-H304 PolarHBondContact O-N 3.43Å; H304-N307 PolarHBondContact O-N 3.36Å; H304-K308 PolarHBondContact O-N 2.87Å
305Y93.1Very high92.2Very high18 Ų1848.4 Ų48.47%0.07124%0.236CC..Hα-helixtrans-68.8-38.2175.8-69.7-62.6000112.5M277 E278 M301 A302 L303 N307 K308 Y309M277-Y305 HydrophobicContact CB-CD2 4.3Å; M277-Y305 HydrophobicContact CB-CE2 4.36Å; E278-Y305 HydrophobicContact CB-CD1 3.94Å; E278-Y305 HydrophobicContact CB-CD2 4.32Å; E278-Y305 HydrophobicContact CB-CE1 3.68Å; E278-Y305 HydrophobicContact CB-CE2 4.1Å; E278-Y305 HydrophobicContact CB-CG 4.26Å; E278-Y305 VanDerWaalsContact CD-CE1 3.44Å; E278-Y305 HydrophobicContact CG-CD1 3.91Å; E278-Y305 HydrophobicContact CG-CE1 3.82Å; E278-Y305 WeakPolarHBondContact OE2-CE1 3.29Å; M301-Y305 HydrophobicContact CG-CD2 4.15Å; M301-Y305 HydrophobicContact CG-CE2 3.75Å; M301-Y305 WeakPolarHBondContact O-CD2 3.49Å; M301-Y305 PolarHBondContact O-N 3.31Å; M301-Y305 HydrophobicContact SD-CE2 4.49Å; A302-Y305 PolarHBondContact O-N 2.85Å; L303-Y305 VanDerWaalsContact C-N 3.34Å; L303-Y305 PolarHBondContact O-N 3.47Å; Y305-N307 VanDerWaalsContact C-N 3.3Å; Y305-N307 PolarHBondContact O-N 2.96Å; Y305-K308 HydrophobicContact CD1-CD 4.19Å; Y305-K308 WeakPolarHBondContact O-CB 3.42Å; Y305-K308 PolarHBondContact O-N 3.46Å; Y305-Y309 WeakPolarHBondContact O-CD2 3.43Å; Y305-Y309 PolarHBondContact O-N 3.1Å
306A92.9Very high92.2Very high0 Ų047.8 Ų47.80%023%0.228CC..Hα-helixtrans-58.8-42.8174.800000111.6F247 V281 A302 L303 Y309 K310 L311 V313F247-A306 HydrophobicContact CE1-CB 4.37Å; V281-A306 HydrophobicContact CG1-CB 4.5Å; A302-A306 WeakPolarHBondContact O-CB 3.21Å; A302-A306 PolarHBondContact O-N 3.21Å; L303-A306 PolarHBondContact O-N 3.17Å; A306-Y309 CarbonylContact O-C 3.46Å; A306-Y309 PolarHBondContact O-N 2.97Å; A306-K310 PolarHBondContact O-N 3.38Å; A306-L311 HydrophobicContact CB-CB 4.22Å; A306-L311 PolarHBondContact O-N 3.32Å; A306-V313 HydrophobicContact CB-CG2 3.64Å
307N93.4Very high92.1Very high36 Ų3651.2 Ų51.219%0.19324%0.243CC..Hα-helixtrans-65.2-43.9174.9-71.7-13.3000111.7G230 D231 L303 H304 Y305 Y309 K310G230-N307 WeakPolarHBondContact CA-OD1 3.38Å; D231-N307 PolarHBondContact N-OD1 3.49Å; D231-N307 VanDerWaalsContact N-OD1 3.11Å; D231-N307 PolarHBondContact OD2-ND2 2.91Å; L303-N307 WeakPolarHBondContact O-CB 2.93Å; L303-N307 PolarHBondContact O-N 3.14Å; H304-N307 PolarHBondContact O-N 3.36Å; Y305-N307 VanDerWaalsContact C-N 3.3Å; Y305-N307 PolarHBondContact O-N 2.96Å; N307-Y309 VanDerWaalsContact C-N 3.27Å; N307-Y309 PolarHBondContact O-N 2.85Å; N307-K310 PolarHBondContact O-N 3.03Å
308K93.2Very high92.1Very high118 Ų11846.1 Ų46.151%0.51323%0.226SC..Hα-helixtrans-55.3-41.5174.4-174.5-174178.3-172.80112.1E278 H304 Y305 K310E278-K308 IonicContact OE1-NZ 3.96Å; E278-K308 PolarHBondContact OE1-NZ 3.47Å; E278-K308 IonicContact OE2-NZ 3.35Å; H304-K308 PolarHBondContact O-N 2.87Å; Y305-K308 HydrophobicContact CD1-CD 4.19Å; Y305-K308 WeakPolarHBondContact O-CB 3.42Å; Y305-K308 PolarHBondContact O-N 3.46Å; K308-K310 VanDerWaalsContact C-N 3.32Å
309Y92.4Very high92Very high48 Ų4853.7 Ų53.719%0.18826%0.257CS..THydrogen-bonded Turntrans-88.25.1179.3-67.9-62.7000114.4E278 V281 K282 Y305 A306 N307E278-Y309 HydrophobicContact CG-CE2 4.2Å; E278-Y309 WeakPolarHBondContact CG-OH 3.44Å; E278-Y309 PolarHBondContact OE1-OH 3.39Å; V281-Y309 HydrophobicContact CB-CD2 4.45Å; V281-Y309 HydrophobicContact CG1-CD2 3.79Å; V281-Y309 HydrophobicContact CG1-CE2 4.49Å; K282-Y309 HydrophobicContact CB-CE2 4.2Å; K282-Y309 HydrophobicContact CG-CE1 4.27Å; Y305-Y309 WeakPolarHBondContact O-CD2 3.43Å; Y305-Y309 PolarHBondContact O-N 3.1Å; A306-Y309 CarbonylContact O-C 3.46Å; A306-Y309 PolarHBondContact O-N 2.97Å; N307-Y309 VanDerWaalsContact C-N 3.27Å; N307-Y309 PolarHBondContact O-N 2.85Å
310K92.2Very high91.8Very high157 Ų15761.2 Ų61.268%0.68328%0.281SS*.THydrogen-bonded Turntrans55.250.9-179.4-63.5-175.9-178.3-176.90112.5I232 A306 N307 K308I232-K310 HydrophobicContact CD1-CB 3.48Å; I232-K310 VanDerWaalsContact CD1-CB 3.48Å; I232-K310 HydrophobicContact CD1-CG 4.19Å; I232-K310 VanDerWaalsContact CD1-O 3.26Å; I232-K310 WeakPolarHBondContact CD1-O 3.07Å; A306-K310 PolarHBondContact O-N 3.38Å; N307-K310 PolarHBondContact O-N 3.03Å; K308-K310 VanDerWaalsContact C-N 3.32Å
311L92.3Very high91.8Very high0 Ų056 Ų560%025%0.253CS..  trans-100.2134.7170.6-68.3170.5000110V281 K285 A289 V292 A306V281-L311 HydrophobicContact CG1-CD1 3.76Å; K285-L311 HydrophobicContact CB-CD1 4.49Å; K285-L311 HydrophobicContact CD-CD2 3.7Å; K285-L311 HydrophobicContact CD-CG 4.18Å; A289-L311 WeakPolarHBondContact O-CD2 3.23Å; V292-L311 HydrophobicContact CG2-CD1 4.41Å; A306-L311 HydrophobicContact CB-CB 4.22Å; A306-L311 PolarHBondContact O-N 3.32Å
312M93Very high91.8Very high0 Ų053.6 Ų53.60%024%0.241CC..EExtended strand (participates in β ladder)trans-82.5123.7170.1-178.7178.1-171.400109.1A228 I232 V235 N290 V291 V292 V314 V351 V362A228-M312 HydrophobicContact CB-CE 3.93Å; I232-M312 HydrophobicContact CB-CB 4.34Å; I232-M312 HydrophobicContact CG2-CB 4.17Å; I232-M312 WeakPolarHBondContact O-CG 3.46Å; V235-M312 HydrophobicContact CG2-CB 4.05Å; V235-M312 HydrophobicContact CG2-SD 4.17Å; N290-M312 PolarHBondContact O-N 2.98Å; V291-M312 CarbonylContact C-O 3.47Å; V291-M312 WeakPolarHBondContact CA-O 3.47Å; V291-M312 HydrophobicContact CG1-CB 4.38Å; V291-M312 HydrophobicContact CG1-CG 4.45Å; V291-M312 HydrophobicContact CG2-CB 4.17Å; V291-M312 HydrophobicContact CG2-SD 4.38Å; V292-M312 PolarHBondContact N-O 2.84Å; M312-V314 HydrophobicContact CE-CG2 4.02Å; M312-V314 HydrophobicContact CG-CG2 4.23Å; M312-V351 HydrophobicContact CE-CG1 3.97Å; M312-V351 HydrophobicContact SD-CB 4.35Å; M312-V351 HydrophobicContact SD-CG1 3.72Å; M312-V362 HydrophobicContact CE-CG1 4.21Å
313V93.7Very high91.7Very high0 Ų061 Ų610%027%0.269CS..EExtended strand (participates in β ladder)trans-107.9122.7178.8-176.10000109.8E229 V292 V298 L303 A306E229-V313 PolarHBondContact N-O 3.16Å; V292-V313 WeakPolarHBondContact O-CA 3.46Å; V298-V313 HydrophobicContact CG1-CG1 4.23Å; V298-V313 HydrophobicContact CG2-CG1 3.9Å; L303-V313 HydrophobicContact CD1-CB 4.41Å; L303-V313 HydrophobicContact CD1-CG2 4.4Å; A306-V313 HydrophobicContact CB-CG2 3.64Å
314V93.5Very high91.5Very high0 Ų062.8 Ų62.80%027%0.274CS..EExtended strand (participates in β ladder)trans-120.5129.1178.6-177.80000109.7V291 V292 V293 T294 M312 L316 V362 F364V291-V314 HydrophobicContact CG1-CG2 4.39Å; V292-V314 PolarHBondContact O-N 2.78Å; V293-V314 CarbonylContact C-O 3.56Å; V293-V314 VanDerWaalsContact CA-O 3.31Å; V293-V314 WeakPolarHBondContact CA-O 3.44Å; V293-V314 HydrophobicContact CG2-CB 4.37Å; T294-V314 PolarHBondContact N-O 3.41Å; M312-V314 HydrophobicContact CE-CG2 4.02Å; M312-V314 HydrophobicContact CG-CG2 4.23Å; V314-L316 HydrophobicContact CG1-CD2 4.5Å; V314-L316 HydrophobicContact CG1-CG 4.44Å; V314-V362 HydrophobicContact CG1-CB 4.47Å; V314-V362 HydrophobicContact CG1-CG1 4.28Å; V314-V362 HydrophobicContact CG1-CG2 4.25Å; V314-V362 HydrophobicContact CG2-CG1 4.08Å; V314-F364 HydrophobicContact CB-CZ 4.42Å; V314-F364 HydrophobicContact CG1-CE2 4.42Å; V314-F364 HydrophobicContact CG1-CZ 4.22Å; V314-F364 HydrophobicContact CG2-CZ 4.25Å
315R92.3Very high91.4Very high63 Ų6357.1 Ų57.124%0.23825%0.248CC..EExtended strand (participates in β ladder)trans-101.5119.9-177.6-177.6176.2172175.40.1112.2E229 G296 N317E229-R315 HydrophobicContact CG-CB 4.26Å; G296-R315 WeakPolarHBondContact O-CG 3.44Å; G296-R315 PolarHBondContact O-NE 3.43Å; G296-R315 VanDerWaalsContact O-NE 3.17Å; R315-N317 WeakPolarHBondContact CG-OD1 3.4Å; R315-N317 PolarHBondContact NE-OD1 3.35Å
316L91Very high91.2Very high4 Ų457 Ų572%0.02125%0.25CC..  trans-123.793178.6-66.4-175.7000112.1F224 V293 T294 G295 V314 S318 L325F224-L316 HydrophobicContact CB-CD2 3.93Å; F224-L316 HydrophobicContact CD1-CD1 4.5Å; F224-L316 HydrophobicContact CD1-CD2 3.59Å; F224-L316 HydrophobicContact CD2-CD1 4.33Å; F224-L316 HydrophobicContact CD2-CD2 3.9Å; F224-L316 HydrophobicContact CE1-CD1 4.14Å; F224-L316 HydrophobicContact CE1-CD2 4.03Å; F224-L316 HydrophobicContact CE2-CD1 3.93Å; F224-L316 HydrophobicContact CE2-CD2 4.28Å; F224-L316 HydrophobicContact CG-CD2 3.51Å; F224-L316 HydrophobicContact CZ-CD1 3.82Å; F224-L316 HydrophobicContact CZ-CD2 4.34Å; V293-L316 HydrophobicContact CG1-CB 4.3Å; V293-L316 HydrophobicContact CG1-CD1 3.59Å; V293-L316 HydrophobicContact CG1-CG 3.88Å; T294-L316 PolarHBondContact O-N 3.28Å; G295-L316 VanDerWaalsContact CA-O 3.3Å; G295-L316 WeakPolarHBondContact CA-O 2.86Å; V314-L316 HydrophobicContact CG1-CD2 4.5Å; V314-L316 HydrophobicContact CG1-CG 4.44Å; L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.24Å; L316-L325 HydrophobicContact CD1-CD2 3.74Å
317N87Confident90.9Very high89 Ų8961.9 Ų61.948%0.47627%0.271SS..  trans-67-23.7-177.5-62.712.7000114.2R315R315-N317 WeakPolarHBondContact CG-OD1 3.4Å; R315-N317 PolarHBondContact NE-OD1 3.35Å
318S89.9Confident90.5Very high44 Ų4460.5 Ų60.531%0.30826%0.264SS..  trans-83.1121-176.1174.70000110.8L316 W320 D321 L322L316-S318 VanDerWaalsContact C-N 3.26Å; L316-S318 PolarHBondContact O-N 3.24Å; S318-W320 PolarHBondContact O-N 2.6Å; S318-W320 PolarHBondContact OG-N 2.91Å; S318-D321 PolarHBondContact O-N 3.25Å; S318-D321 PolarHBondContact OG-N 3.32Å; S318-L322 PolarHBondContact O-N 3.4Å
319K89.4Confident90.3Very high181 Ų18155.4 Ų55.479%0.78724%0.242SC*.Hα-helixtrans-59.8-33.8174.8-65.4-175.4179.4-177.90112.3R323K319-R323 WeakPolarHBondContact O-CB 3.49Å; K319-R323 PolarHBondContact O-N 3.4Å
320W89.7Confident90.1Very high178 Ų17855.7 Ų55.767%0.67426%0.26SS*.Hα-helixtrans-67.8-41.8178.4-59.5104.4000111.5S318 R323 R324S318-W320 PolarHBondContact O-N 2.6Å; S318-W320 PolarHBondContact OG-N 2.91Å; W320-R323 PolarHBondContact O-N 3.32Å; W320-R324 WeakPolarHBondContact O-CG 3.29Å; W320-R324 PolarHBondContact O-N 3.03Å
321D89.8Confident90Very high28 Ų2848.5 Ų48.515%0.1523%0.23CC..Hα-helixtrans-67.4-43.3178.2-784.1000111.4R204 F224 S318 R323 R324 L325R204-D321 IonicContact CZ-OD1 2.93Å; R204-D321 IonicContact CZ-OD2 3.5Å; R204-D321 IonicContact NH2-OD1 3.86Å; R204-D321 PolarHBondContact NH2-OD1 2.97Å; R204-D321 IonicContact NH2-OD2 3.03Å; R204-D321 PolarHBondContact NH2-OD2 2.93Å; F224-D321 HydrophobicContact CD1-CB 4.32Å; F224-D321 HydrophobicContact CE1-CB 3.62Å; F224-D321 HydrophobicContact CZ-CB 4.46Å; S318-D321 PolarHBondContact O-N 3.25Å; S318-D321 PolarHBondContact OG-N 3.32Å; D321-R323 PolarHBondContact O-N 2.83Å; D321-R324 PolarHBondContact O-N 3.47Å; D321-L325 WeakPolarHBondContact O-CB 3.26Å; D321-L325 PolarHBondContact O-N 2.89Å
322L90.9Very high90Very high12 Ų1252.2 Ų52.26%0.06325%0.253CS..Hα-helixtrans-61.1-45.1176.5-165.7158.8000111V242 S318 R324 L325 C326 A333V242-L322 HydrophobicContact CG1-CD1 4.23Å; V242-L322 HydrophobicContact CG1-CD2 3.51Å; V242-L322 HydrophobicContact CG1-CG 3.7Å; S318-L322 PolarHBondContact O-N 3.4Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 2.58Å; L322-L325 PolarHBondContact O-N 2.67Å; L322-C326 PolarHBondContact O-N 3.47Å; L322-C326 PolarHBondContact O-SG 3.28Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; L322-A333 HydrophobicContact CD2-CB 3.58Å
323R89.9Confident90.1Very high155 Ų15554 Ų5459%0.58527%0.267SS*.Hα-helixtrans-62.2-39176.1-174.6178.8-178.6-172.9-0.4112.5K319 W320 D321 K327K319-R323 WeakPolarHBondContact O-CB 3.49Å; K319-R323 PolarHBondContact O-N 3.4Å; W320-R323 PolarHBondContact O-N 3.32Å; D321-R323 PolarHBondContact O-N 2.83Å; R323-K327 PolarHBondContact O-N 3.41Å
324R88.3Confident90Very high68 Ų6854.6 Ų54.626%0.25727%0.27SS..Hα-helixtrans-68.2-43.5176.8-74.9174.3175.7166.2-5.4110.9D201 M222 W320 D321 L322 C326 K327 T328 I373D201-R324 IonicContact OD1-CZ 3.78Å; D201-R324 IonicContact OD1-NH2 4Å; D201-R324 PolarHBondContact OD1-NH2 2.77Å; M222-R324 HydrophobicContact CE-CB 3.48Å; M222-R324 VanDerWaalsContact CE-CB 3.48Å; M222-R324 HydrophobicContact CE-CG 4.44Å; M222-R324 VanDerWaalsContact SD-C 3.59Å; M222-R324 HydrophobicContact SD-CB 3.85Å; W320-R324 WeakPolarHBondContact O-CG 3.29Å; W320-R324 PolarHBondContact O-N 3.03Å; D321-R324 PolarHBondContact O-N 3.47Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 2.58Å; R324-C326 VanDerWaalsContact C-N 3.33Å; R324-C326 PolarHBondContact O-N 2.86Å; R324-K327 WeakPolarHBondContact O-CA 3.33Å; R324-K327 WeakPolarHBondContact O-CB 3.42Å; R324-K327 PolarHBondContact O-N 2.95Å; R324-T328 WeakPolarHBondContact O-CG2 3.36Å; R324-T328 PolarHBondContact O-N 2.89Å; R324-I373 HydrophobicContact CB-CD1 3.82Å; R324-I373 HydrophobicContact CG-CD1 4.15Å; R324-I373 WeakPolarHBondContact O-CD1 3.41Å
325L90.4Very high89.9Confident0 Ų058.8 Ų58.80%030%0.298CS..Hα-helixtrans-61.4-41.2176.5-173.970.1000111.9M222 F224 V293 L316 D321 L322 K327 T328 V329 F364M222-L325 HydrophobicContact CB-CD1 4.36Å; M222-L325 HydrophobicContact CG-CD1 4.45Å; M222-L325 VanDerWaalsContact SD-CA 3.52Å; M222-L325 HydrophobicContact SD-CB 4.01Å; M222-L325 HydrophobicContact SD-CD1 4.19Å; M222-L325 PolarHBondContact SD-N 3.47Å; M222-L325 VanDerWaalsContact SD-N 3.36Å; F224-L325 HydrophobicContact CE2-CD1 4.08Å; F224-L325 HydrophobicContact CZ-CB 4.35Å; F224-L325 HydrophobicContact CZ-CD1 4.39Å; V293-L325 HydrophobicContact CB-CD2 4.26Å; V293-L325 HydrophobicContact CG1-CD2 3.8Å; V293-L325 HydrophobicContact CG2-CD2 3.88Å; L316-L325 HydrophobicContact CD1-CD2 3.74Å; D321-L325 WeakPolarHBondContact O-CB 3.26Å; D321-L325 PolarHBondContact O-N 2.89Å; L322-L325 PolarHBondContact O-N 2.67Å; L325-K327 PolarHBondContact O-N 3.38Å; L325-T328 PolarHBondContact O-N 3.15Å; L325-T328 VanDerWaalsContact O-N 3.12Å; L325-T328 PolarHBondContact O-OG1 3.03Å; L325-V329 HydrophobicContact CD1-CG2 3.68Å; L325-V329 HydrophobicContact CG-CG2 4.01Å; L325-V329 WeakPolarHBondContact O-CG2 3.24Å; L325-V329 PolarHBondContact O-N 2.66Å; L325-F364 HydrophobicContact CD1-CB 4.26Å; L325-F364 HydrophobicContact CD1-CD1 3.99Å; L325-F364 HydrophobicContact CD1-CD2 3.93Å; L325-F364 HydrophobicContact CD1-CE1 4.34Å; L325-F364 HydrophobicContact CD1-CE2 4.27Å; L325-F364 HydrophobicContact CD1-CG 3.79Å; L325-F364 HydrophobicContact CD1-CZ 4.46Å; L325-F364 HydrophobicContact CD2-CE1 4.36Å; L325-F364 HydrophobicContact CD2-CE2 4.43Å; L325-F364 HydrophobicContact CD2-CZ 4.16Å
326C90.3Very high89.7Confident16 Ų1662 Ų6211%0.10831%0.313CS..Hα-helixtrans-54.8-40.3172.4-76.70000112.2L322 R324 G330 A331L322-C326 PolarHBondContact O-N 3.47Å; L322-C326 PolarHBondContact O-SG 3.28Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; R324-C326 VanDerWaalsContact C-N 3.33Å; R324-C326 PolarHBondContact O-N 2.86Å; C326-G330 CarbonylContact O-C 3.51Å; C326-G330 VanDerWaalsContact O-CA 3.25Å; C326-G330 WeakPolarHBondContact O-CA 3.26Å; C326-G330 PolarHBondContact O-N 3.43Å; C326-A331 WeakPolarHBondContact CA-O 3.18Å; C326-A331 WeakPolarHBondContact CB-O 3.41Å; C326-A331 PolarHBondContact O-N 2.97Å; C326-A331 PolarHBondContact SG-O 3.13Å
327K86.1Confident89.5Confident102 Ų10262.3 Ų62.344%0.44332%0.315SS..Hα-helixtrans-70.3-35.3176.5-68.9-177.7176.5-173.40113.3R323 R324 L325 I373R323-K327 PolarHBondContact O-N 3.41Å; R324-K327 WeakPolarHBondContact O-CA 3.33Å; R324-K327 WeakPolarHBondContact O-CB 3.42Å; R324-K327 PolarHBondContact O-N 2.95Å; L325-K327 PolarHBondContact O-N 3.38Å; K327-I373 HydrophobicContact CB-CD1 4.13Å
328T85.9Confident89.5Confident8 Ų861.8 Ų61.85%0.04932%0.315CS..Hα-helixtrans-73-41.4-179.260.80000112.7M222 R324 L325 H366 I373M222-T328 HydrophobicContact CG-CG2 3.55Å; M222-T328 HydrophobicContact SD-CG2 3.76Å; R324-T328 WeakPolarHBondContact O-CG2 3.36Å; R324-T328 PolarHBondContact O-N 2.89Å; L325-T328 PolarHBondContact O-N 3.15Å; L325-T328 VanDerWaalsContact O-N 3.12Å; L325-T328 PolarHBondContact O-OG1 3.03Å; T328-H366 PolarHBondContact O-CE1 3.46Å; T328-I373 HydrophobicContact CG2-CB 3.36Å; T328-I373 HydrophobicContact CG2-CD1 3.61Å; T328-I373 HydrophobicContact CG2-CG1 3.54Å; T328-I373 HydrophobicContact CG2-CG2 4.24Å
329V87.9Confident89.5Confident10 Ų1062.1 Ų62.16%0.06132%0.32CS..Hα-helixtrans-91.6-14.1-174.4-166.90000111I240 L325 A331 G346 H347 C348I240-V329 HydrophobicContact CB-CG1 4Å; I240-V329 HydrophobicContact CD1-CG1 3.64Å; I240-V329 HydrophobicContact CD1-CG2 4.11Å; I240-V329 HydrophobicContact CG1-CG1 3.89Å; L325-V329 HydrophobicContact CD1-CG2 3.68Å; L325-V329 HydrophobicContact CG-CG2 4.01Å; L325-V329 WeakPolarHBondContact O-CG2 3.24Å; L325-V329 PolarHBondContact O-N 2.66Å; V329-A331 VanDerWaalsContact C-N 3.31Å; V329-G346 VanDerWaalsContact CG1-C 3.47Å; V329-G346 VanDerWaalsContact O-CA 3.24Å; V329-G346 WeakPolarHBondContact O-CA 3.33Å; V329-H347 VanDerWaalsContact CG1-C 3.5Å; V329-H347 VanDerWaalsContact CG1-N 3.34Å; V329-H347 VanDerWaalsContact CG1-O 3.23Å; V329-H347 WeakPolarHBondContact CG1-O 3.43Å; V329-H347 PolarHBondContact O-N 3.19Å; V329-C348 HydrophobicContact CG1-CB 4.24Å
330G87.4Confident89.6Confident54 Ų5453.9 Ų53.956%0.55729%0.285SS*.THydrogen-bonded Turntrans74.618.9-173.700000113.7C326C326-G330 CarbonylContact O-C 3.51Å; C326-G330 VanDerWaalsContact O-CA 3.25Å; C326-G330 WeakPolarHBondContact O-CA 3.26Å; C326-G330 PolarHBondContact O-N 3.43Å
331A91Very high89.7Confident7 Ų748.4 Ų48.46%0.05827%0.272CS..  trans-84.6151.2-178.600000112.4V242 C326 V329V242-A331 HydrophobicContact CB-CB 4.4Å; V242-A331 HydrophobicContact CG2-CB 3.65Å; C326-A331 WeakPolarHBondContact CA-O 3.18Å; C326-A331 WeakPolarHBondContact CB-O 3.41Å; C326-A331 PolarHBondContact O-N 2.97Å; C326-A331 PolarHBondContact SG-O 3.13Å; V329-A331 VanDerWaalsContact C-N 3.31Å
332V92.9Very high89.6Confident78 Ų7852.1 Ų52.147%0.47330%0.297SS..  trans-98129.5169.1-179.20000109.5L334 E344V332-L334 PolarHBondContact O-N 3.21Å; V332-E344 HydrophobicContact CB-CB 4.27Å; V332-E344 HydrophobicContact CB-CG 4.27Å; V332-E344 PolarHBondContact N-O 3.43Å
333A93.6Very high89.5Confident36 Ų3658.7 Ų58.730%0.29833%0.332SS..EExtended strand (participates in β ladder)trans-72.8115.4176.900000110.9V242 L322V242-A333 HydrophobicContact CG1-CB 4.35Å; V242-A333 WeakPolarHBondContact O-CA 3.49Å; L322-A333 HydrophobicContact CD2-CB 3.58Å
334L92.4Very high89.6Confident13 Ų1354.2 Ų54.27%0.06832%0.318CS..EExtended strand (participates in β ladder)trans-86.7131.1179.7-64.7177.4000111.4V242 F243 S244 V332 K336 P340 E344V242-L334 PolarHBondContact O-N 3.27Å; F243-L334 CarbonylContact C-O 3.49Å; F243-L334 VanDerWaalsContact CA-O 3.3Å; F243-L334 WeakPolarHBondContact CA-O 3.42Å; F243-L334 HydrophobicContact CD1-CB 3.69Å; F243-L334 HydrophobicContact CD1-CD1 4.42Å; F243-L334 HydrophobicContact CE1-CB 3.9Å; F243-L334 HydrophobicContact CE1-CD1 3.8Å; F243-L334 HydrophobicContact CE1-CG 4.49Å; F243-L334 HydrophobicContact CZ-CD1 4.44Å; S244-L334 PolarHBondContact N-O 3.15Å; S244-L334 PolarHBondContact OG-O 3.34Å; V332-L334 PolarHBondContact O-N 3.21Å; L334-K336 VanDerWaalsContact C-N 3.31Å; L334-K336 PolarHBondContact O-N 3.38Å; L334-P340 HydrophobicContact CD1-CB 3.86Å; L334-P340 HydrophobicContact CD1-CG 4.2Å; L334-E344 HydrophobicContact CD2-CG 4.41Å
335P91.1Very high89.7Confident89 Ų8952 Ų5258%0.57831%0.311SS*.SBendtrans-81-10.4179.932.1-35.6000113.9S244 C245S244-P335 WeakPolarHBondContact OG-CA 3.32Å; C245-P335 WeakPolarHBondContact CB-O 3.32Å
336K88.2Confident89.7Confident131 Ų13152.2 Ų52.257%0.5731%0.313SS*.SBendtrans-132.2148.4-178.9-59.7-172.5177.9178.70109.9F243 M250 L334 T338F243-K336 VanDerWaalsContact CD1-O 3.3Å; F243-K336 WeakPolarHBondContact CD1-O 3.35Å; F243-K336 VanDerWaalsContact CE1-O 3.26Å; F243-K336 WeakPolarHBondContact CE1-O 3.36Å; M250-K336 HydrophobicContact CE-CB 3.87Å; M250-K336 HydrophobicContact CE-CD 4.33Å; M250-K336 HydrophobicContact CE-CG 3.62Å; L334-K336 VanDerWaalsContact C-N 3.31Å; L334-K336 PolarHBondContact O-N 3.38Å; K336-T338 HydrophobicContact CB-CG2 4.18Å; K336-T338 PolarHBondContact O-N 3.12Å
337M87Confident89.7Confident10 Ų1055.7 Ų55.75%0.04933%0.327CS..  trans-75.376173.4-170169.3170.400109.9F247 M277 Q280 V281 I284F247-M337 HydrophobicContact CD1-CE 4.33Å; F247-M337 HydrophobicContact CD2-CE 3.73Å; F247-M337 HydrophobicContact CD2-CG 4.41Å; F247-M337 HydrophobicContact CD2-SD 3.64Å; F247-M337 HydrophobicContact CE1-CE 3.86Å; F247-M337 HydrophobicContact CE2-CE 3.18Å; F247-M337 HydrophobicContact CE2-CG 4.23Å; F247-M337 HydrophobicContact CE2-SD 3.69Å; F247-M337 HydrophobicContact CG-CE 4.28Å; F247-M337 HydrophobicContact CG-SD 4.23Å; F247-M337 HydrophobicContact CZ-CE 3.26Å; F247-M337 HydrophobicContact CZ-SD 4.31Å; M277-M337 HydrophobicContact CE-CE 4.39Å; Q280-M337 HydrophobicContact CB-CE 4.05Å; Q280-M337 HydrophobicContact CB-CG 4.48Å; V281-M337 HydrophobicContact CG2-CE 3.57Å; I284-M337 HydrophobicContact CD1-CE 4.02Å; I284-M337 HydrophobicContact CD1-CG 3.97Å
338T87.1Confident89.9Confident77 Ų7750.9 Ų50.947%0.47231%0.306SS..  trans-118161.1174.752.10000109.9K336 P340K336-T338 HydrophobicContact CB-CG2 4.18Å; K336-T338 PolarHBondContact O-N 3.12Å; T338-P340 WeakPolarHBondContact O-CD 3.39Å
339A89.5Confident90.1Very high52 Ų5252 Ų5243%0.4331%0.312SS..PPolyproline II helixtrans-57.1121.4173.400000109.6A283A283-A339 HydrophobicContact CB-CB 4.14Å
340P91.4Very high90.3Very high7 Ų752.9 Ų52.95%0.04532%0.316CS..PPolyproline II helixtrans-70.8144.1178.3-9.223.5000109.9A241 F243 L334 T338 M345A241-P340 HydrophobicContact CB-CG 3.65Å; F243-P340 HydrophobicContact CZ-CG 4.33Å; L334-P340 HydrophobicContact CD1-CB 3.86Å; L334-P340 HydrophobicContact CD1-CG 4.2Å; T338-P340 WeakPolarHBondContact O-CD 3.39Å; P340-M345 HydrophobicContact CB-CE 3.7Å; P340-M345 HydrophobicContact CB-CG 3.85Å; P340-M345 HydrophobicContact CG-CE 3.77Å
341T91.9Very high90.5Very high64 Ų6450.3 Ų50.339%0.39329%0.29SS..PPolyproline II helixtrans-75155.5166.260.20000110.5D343 E344 M345T341-D343 PolarHBondContact O-N 2.87Å; T341-E344 PolarHBondContact N-OE2 2.93Å; T341-E344 PolarHBondContact O-N 3.48Å; T341-E344 WeakPolarHBondContact OG1-CG 3.45Å; T341-E344 PolarHBondContact OG1-OE2 3.25Å; T341-M345 WeakPolarHBondContact O-CG 3.23Å; T341-M345 PolarHBondContact O-N 3.43Å
342P88.3Confident90.6Very high105 Ų10552.8 Ų52.868%0.68230%0.298SS*.THydrogen-bonded Turntrans-56.2-30.8177.4-27.135.9000113.9
343D89.1Confident90.6Very high151 Ų15150.8 Ų50.881%0.80729%0.285SS*.THydrogen-bonded Turntrans-76.8-23.4179.6-59.8-24.9000112.8T341T341-D343 PolarHBondContact O-N 2.87Å
344E91.4Very high90.5Very high61 Ų6151.5 Ų51.529%0.28529%0.285SS..THydrogen-bonded Turntrans-87.4-17.8176.6-69.6164.3154.600112.2V332 L334 T341V332-E344 HydrophobicContact CB-CB 4.27Å; V332-E344 HydrophobicContact CB-CG 4.27Å; V332-E344 PolarHBondContact N-O 3.43Å; L334-E344 HydrophobicContact CD2-CG 4.41Å; T341-E344 PolarHBondContact N-OE2 2.93Å; T341-E344 PolarHBondContact O-N 3.48Å; T341-E344 WeakPolarHBondContact OG1-CG 3.45Å; T341-E344 PolarHBondContact OG1-OE2 3.25Å
345M90.8Very high90.4Very high22 Ų2257.1 Ų57.111%0.10831%0.311CS..  trans-75.6136.5176.8-68.9-169.4-173.100111.1K239 A287 A289 P340 T341K239-M345 HydrophobicContact CB-SD 4.32Å; A287-M345 HydrophobicContact CB-CE 3.43Å; A287-M345 VanDerWaalsContact CB-CE 3.43Å; A287-M345 WeakPolarHBondContact O-CE 3.24Å; A289-M345 HydrophobicContact CB-CE 4.1Å; A289-M345 HydrophobicContact CB-SD 4.41Å; P340-M345 HydrophobicContact CB-CE 3.7Å; P340-M345 HydrophobicContact CB-CG 3.85Å; P340-M345 HydrophobicContact CG-CE 3.77Å; T341-M345 WeakPolarHBondContact O-CG 3.23Å; T341-M345 PolarHBondContact O-N 3.43Å
346G90.8Very high90.2Very high3 Ų354.5 Ų54.53%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-86.2160.7169.400000112.5K239 I240 V329K239-G346 CarbonylContact C-O 3.55Å; K239-G346 WeakPolarHBondContact CA-O 3.46Å; I240-G346 PolarHBondContact N-O 2.76Å; I240-G346 PolarHBondContact O-N 3.02Å; V329-G346 VanDerWaalsContact CG1-C 3.47Å; V329-G346 VanDerWaalsContact O-CA 3.24Å; V329-G346 WeakPolarHBondContact O-CA 3.33Å
347H90.6Very high89.9Confident90 Ų9050.3 Ų50.342%0.41729%0.287SS..EExtended strand (participates in β ladder)trans-115.4135.3171.6179.5-82.7000112.5D237 V329 D349 H366D237-H347 IonicContact OD1-CD2 2.59Å; D237-H347 PolarHBondContact OD1-CD2 3.31Å; D237-H347 IonicContact OD1-NE2 2.83Å; D237-H347 PolarHBondContact OD1-NE2 3.13Å; V329-H347 VanDerWaalsContact CG1-C 3.5Å; V329-H347 VanDerWaalsContact CG1-N 3.34Å; V329-H347 VanDerWaalsContact CG1-O 3.23Å; V329-H347 WeakPolarHBondContact CG1-O 3.43Å; V329-H347 PolarHBondContact O-N 3.19Å; H347-D349 IonicContact CE1-OD1 2.72Å; H347-D349 PolarHBondContact CE1-OD1 3.16Å; H347-D349 VanDerWaalsContact CE1-OD1 3.32Å; H347-H366 PolarHBondContact O-NE2 3.38Å
348C89.6Confident89.8Confident0 Ų058 Ų580%033%0.328CS..EExtended strand (participates in β ladder)trans-141.4137.2172.4-170.40000110.9A238 I240 V329 V351 K365A238-C348 WeakPolarHBondContact CA-O 3.43Å; A238-C348 HydrophobicContact CB-CB 4.37Å; A238-C348 WeakPolarHBondContact CB-O 3.25Å; A238-C348 PolarHBondContact N-O 3.08Å; A238-C348 PolarHBondContact O-N 3.07Å; I240-C348 HydrophobicContact CD1-CB 3.57Å; I240-C348 HydrophobicContact CG1-CB 4.34Å; V329-C348 HydrophobicContact CG1-CB 4.24Å; C348-V351 HydrophobicContact CB-CG2 4.06Å; C348-K365 PolarHBondContact SG-O 3.44Å
349D90.3Very high89.8Confident33 Ų3356.8 Ų56.818%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-69.5-44.9-173.6-60.6-45.8000111.9K236 D237 H347 H366 E367K236-D349 CarbonylContact C-O 3.54Å; K236-D349 WeakPolarHBondContact CA-O 3.4Å; D237-D349 PolarHBondContact N-O 3.07Å; H347-D349 IonicContact CE1-OD1 2.72Å; H347-D349 PolarHBondContact CE1-OD1 3.16Å; H347-D349 VanDerWaalsContact CE1-OD1 3.32Å; D349-H366 WeakPolarHBondContact OD2-CA 3.46Å; D349-E367 HydrophobicContact CB-CB 4.49Å; D349-E367 HydrophobicContact CB-CG 4.21Å; D349-E367 PolarHBondContact OD2-N 2.95Å
350N91.2Very high89.8Confident27 Ų2757 Ų5714%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-140125.4179.2-67.7-58.6000110.6Y352 K365 E367N350-Y352 HydrophobicContact CB-CD1 4.12Å; N350-Y352 HydrophobicContact CB-CE1 4.28Å; N350-K365 HydrophobicContact CB-CB 4.48Å; N350-K365 PolarHBondContact N-O 3.39Å; N350-K365 PolarHBondContact O-N 3.26Å; N350-E367 PolarHBondContact ND2-OE1 3.35Å
351V93Very high89.9Confident0 Ų056.7 Ų56.70%031%0.311CS..EExtended strand (participates in β ladder)trans-117.8119.6168.3-174.60000108S234 V235 A238 I240 V291 M312 C348 V362 V363 F364S234-V351 CarbonylContact C-O 3.4Å; S234-V351 WeakPolarHBondContact CA-O 3.49Å; V235-V351 PolarHBondContact N-O 3.34Å; V235-V351 PolarHBondContact O-N 2.86Å; A238-V351 HydrophobicContact CB-CB 4.39Å; A238-V351 HydrophobicContact CB-CG2 3.65Å; I240-V351 HydrophobicContact CD1-CG2 3.93Å; V291-V351 HydrophobicContact CG2-CB 4.29Å; V291-V351 HydrophobicContact CG2-CG2 4.29Å; M312-V351 HydrophobicContact CE-CG1 3.97Å; M312-V351 HydrophobicContact SD-CB 4.35Å; M312-V351 HydrophobicContact SD-CG1 3.72Å; C348-V351 HydrophobicContact CB-CG2 4.06Å; V351-V362 HydrophobicContact CG1-CG1 4.13Å; V351-V363 WeakPolarHBondContact CA-O 3.48Å; V351-F364 HydrophobicContact CB-CD1 4.35Å; V351-F364 HydrophobicContact CB-CE1 4.48Å; V351-F364 HydrophobicContact CG1-CD1 3.87Å; V351-F364 HydrophobicContact CG1-CE1 3.67Å; V351-F364 HydrophobicContact CG1-CG 4.45Å; V351-F364 HydrophobicContact CG1-CZ 4.13Å; V351-F364 HydrophobicContact CG2-CD1 3.53Å; V351-F364 HydrophobicContact CG2-CE1 3.9Å; V351-F364 HydrophobicContact CG2-CG 4.41Å
352Y93.3Very high89.9Confident60 Ų6053.6 Ų53.624%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-147.9157.8179.960.6-97.7000112.8T233 N350 T354 V363 K365T233-Y352 CarbonylContact O-C 3.6Å; T233-Y352 WeakPolarHBondContact O-CA 3.33Å; N350-Y352 HydrophobicContact CB-CD1 4.12Å; N350-Y352 HydrophobicContact CB-CE1 4.28Å; Y352-T354 HydrophobicContact CD2-CG2 3.54Å; Y352-T354 HydrophobicContact CE2-CG2 3.3Å; Y352-V363 HydrophobicContact CD2-CB 4.32Å; Y352-V363 HydrophobicContact CE2-CB 3.87Å; Y352-V363 HydrophobicContact CE2-CG1 4.37Å; Y352-V363 HydrophobicContact CE2-CG2 4.04Å; Y352-V363 PolarHBondContact N-O 3.25Å; Y352-V363 VanDerWaalsContact N-O 3.07Å; Y352-V363 PolarHBondContact O-N 2.98Å; Y352-K365 HydrophobicContact CE1-CB 4.48Å
353L92.9Very high90.2Very high36 Ų3648.8 Ų48.819%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-90.4126.3170-165.2155000108.9A228 T233 Q360 V361A228-L353 HydrophobicContact CB-CD1 4.11Å; T233-L353 PolarHBondContact O-N 2.9Å; L353-Q360 HydrophobicContact CD2-CB 4.1Å; L353-Q360 HydrophobicContact CD2-CG 3.97Å; L353-V361 WeakPolarHBondContact CA-O 3.47Å
354T91.1Very high90.3Very high50 Ų5041.6 Ų41.631%0.30722%0.222SC..EExtended strand (participates in β ladder)trans-126148.8170.833.80000110.7Y352 V361 V363Y352-T354 HydrophobicContact CD2-CG2 3.54Å; Y352-T354 HydrophobicContact CE2-CG2 3.3Å; T354-V361 PolarHBondContact N-O 3.33Å; T354-V361 VanDerWaalsContact O-CG2 3.28Å; T354-V361 WeakPolarHBondContact O-CG2 3.25Å; T354-V361 PolarHBondContact O-N 3.15Å; T354-V363 WeakPolarHBondContact OG1-CG2 3.44Å
355E89.8Confident90.1Very high132 Ų13242 Ų4262%0.61722%0.223SC*.EExtended strand (participates in β ladder)trans-92.8121.1170-75.1173.6179.200109.2Q360E355-Q360 HydrophobicContact CG-CG 3.64Å; E355-Q360 PolarHBondContact OE1-NE2 3.49Å
356V86.6Confident89.8Confident34 Ų3441.6 Ų41.621%0.20622%0.221CC..EExtended strand (participates in β ladder)trans-117.193.7179.8178.50000107.2I208 T359 V361I208-V356 HydrophobicContact CD1-CB 4.02Å; I208-V356 HydrophobicContact CD1-CG1 3.74Å; I208-V356 HydrophobicContact CG2-CG1 4.18Å; I208-V356 WeakPolarHBondContact CG2-O 3.5Å; V356-T359 PolarHBondContact N-O 3.43Å; V356-V361 HydrophobicContact CB-CG2 4.25Å; V356-V361 HydrophobicContact CG2-CG2 3.62Å
357G81.4Confident89.1Confident42 Ų4248.2 Ų48.243%0.43325%0.251SS..THydrogen-bonded Turntrans71.5-131-161.900000109.9
358D85.1Confident88Confident172 Ų17250.7 Ų50.792%0.9226%0.261SS*.THydrogen-bonded Turntrans-94.21178.2-55.5-28.1000112.8
359T87.6Confident86.6Confident51 Ų5157.8 Ų57.831%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-101.1122.8-177.1-51.20000110.4K225 V356 V361K225-T359 HydrophobicContact CB-CG2 4.39Å; K225-T359 HydrophobicContact CG-CG2 4.41Å; V356-T359 PolarHBondContact N-O 3.43Å; T359-V361 HydrophobicContact CG2-CG1 4.2Å
360Q90.4Very high85Confident56 Ų5662.9 Ų62.926%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-72129.3167.8-73-171.21.800110.3E227 L353 E355E227-Q360 VanDerWaalsContact CD-OE1 3.28Å; E227-Q360 HydrophobicContact CG-CB 3.8Å; E227-Q360 VanDerWaalsContact CG-OE1 3.28Å; E227-Q360 PolarHBondContact OE1-OE1 2.65Å; L353-Q360 HydrophobicContact CD2-CB 4.1Å; L353-Q360 HydrophobicContact CD2-CG 3.97Å; E355-Q360 HydrophobicContact CG-CG 3.64Å; E355-Q360 PolarHBondContact OE1-NE2 3.49Å
361V92.9Very high83.4Confident1 Ų162 Ų621%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-129.6137.2178.9-59.40000110.9I208 V223 F224 K225 L353 T354 V356 T359 V363I208-V361 HydrophobicContact CD1-CG1 3.82Å; V223-V361 HydrophobicContact CG1-CB 3.83Å; V223-V361 HydrophobicContact CG1-CG1 4.28Å; V223-V361 HydrophobicContact CG1-CG2 4.01Å; F224-V361 CarbonylContact O-C 3.59Å; F224-V361 WeakPolarHBondContact O-CA 3.44Å; F224-V361 WeakPolarHBondContact O-CB 3.19Å; K225-V361 HydrophobicContact CG-CG1 4.44Å; L353-V361 WeakPolarHBondContact CA-O 3.47Å; T354-V361 PolarHBondContact N-O 3.33Å; T354-V361 VanDerWaalsContact O-CG2 3.28Å; T354-V361 WeakPolarHBondContact O-CG2 3.25Å; T354-V361 PolarHBondContact O-N 3.15Å; V356-V361 HydrophobicContact CB-CG2 4.25Å; V356-V361 HydrophobicContact CG2-CG2 3.62Å; T359-V361 HydrophobicContact CG2-CG1 4.2Å; V361-V363 HydrophobicContact CG2-CG2 4.1Å
362V93Very high82.3Confident0 Ų062.9 Ų62.90%033%0.326CS..EExtended strand (participates in β ladder)trans-87.3126.7167.2-176.60000108.6V223 F224 K226 M312 V314 V351 F364V223-V362 WeakPolarHBondContact CA-O 3.41Å; F224-V362 PolarHBondContact N-O 3.49Å; F224-V362 PolarHBondContact O-N 3.38Å; K226-V362 VanDerWaalsContact O-CG2 3.23Å; K226-V362 WeakPolarHBondContact O-CG2 3.2Å; K226-V362 PolarHBondContact O-N 3.4Å; M312-V362 HydrophobicContact CE-CG1 4.21Å; V314-V362 HydrophobicContact CG1-CB 4.47Å; V314-V362 HydrophobicContact CG1-CG1 4.28Å; V314-V362 HydrophobicContact CG1-CG2 4.25Å; V314-V362 HydrophobicContact CG2-CG1 4.08Å; V351-V362 HydrophobicContact CG1-CG1 4.13Å; V362-F364 HydrophobicContact CB-CE2 4.49Å; V362-F364 HydrophobicContact CG1-CD2 4.21Å; V362-F364 HydrophobicContact CG1-CE2 3.65Å; V362-F364 HydrophobicContact CG1-CZ 4.06Å
363V92.6Very high81.8Confident3 Ų360.2 Ų60.22%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-112.2123.3178.4-176.90000108.8L219 V223 V351 Y352 T354 V361 K365L219-V363 HydrophobicContact CD1-CG1 4.33Å; V223-V363 HydrophobicContact CG1-CG2 4.36Å; V223-V363 HydrophobicContact CG2-CG1 4.34Å; V223-V363 HydrophobicContact CG2-CG2 4.21Å; V351-V363 WeakPolarHBondContact CA-O 3.48Å; Y352-V363 HydrophobicContact CD2-CB 4.32Å; Y352-V363 HydrophobicContact CE2-CB 3.87Å; Y352-V363 HydrophobicContact CE2-CG1 4.37Å; Y352-V363 HydrophobicContact CE2-CG2 4.04Å; Y352-V363 PolarHBondContact N-O 3.25Å; Y352-V363 VanDerWaalsContact N-O 3.07Å; Y352-V363 PolarHBondContact O-N 2.98Å; T354-V363 WeakPolarHBondContact OG1-CG2 3.44Å; V361-V363 HydrophobicContact CG2-CG2 4.1Å; V363-K365 HydrophobicContact CG1-CB 4.17Å
364F91.6Very high81.5Confident0 Ų058.5 Ų58.50%031%0.306CS..EExtended strand (participates in β ladder)trans-100104.7166.3-64.4-94.9000106.8G221 M222 F224 I240 V291 V293 V314 L325 V351 V362G221-F364 CarbonylContact C-O 3.54Å; G221-F364 VanDerWaalsContact CA-O 3.24Å; G221-F364 WeakPolarHBondContact CA-O 3.34Å; M222-F364 PolarHBondContact N-O 3.31Å; M222-F364 PolarHBondContact O-N 2.94Å; F224-F364 AromaticContact CD2-CD2 3.82Å; F224-F364 HydrophobicContact CD2-CD2 3.82Å; F224-F364 AromaticContact CD2-CE2 3.66Å; F224-F364 HydrophobicContact CD2-CE2 3.66Å; F224-F364 AromaticContact CE2-CD2 3.64Å; F224-F364 HydrophobicContact CE2-CD2 3.64Å; F224-F364 AromaticContact CE2-CE2 3.65Å; F224-F364 HydrophobicContact CE2-CE2 3.65Å; I240-F364 HydrophobicContact CD1-CD1 3.7Å; I240-F364 HydrophobicContact CD1-CE1 3.77Å; V291-F364 HydrophobicContact CG1-CE1 4.4Å; V293-F364 HydrophobicContact CG2-CE1 4.22Å; V293-F364 HydrophobicContact CG2-CZ 4.04Å; V314-F364 HydrophobicContact CB-CZ 4.42Å; V314-F364 HydrophobicContact CG1-CE2 4.42Å; V314-F364 HydrophobicContact CG1-CZ 4.22Å; V314-F364 HydrophobicContact CG2-CZ 4.25Å; L325-F364 HydrophobicContact CD1-CB 4.26Å; L325-F364 HydrophobicContact CD1-CD1 3.99Å; L325-F364 HydrophobicContact CD1-CD2 3.93Å; L325-F364 HydrophobicContact CD1-CE1 4.34Å; L325-F364 HydrophobicContact CD1-CE2 4.27Å; L325-F364 HydrophobicContact CD1-CG 3.79Å; L325-F364 HydrophobicContact CD1-CZ 4.46Å; L325-F364 HydrophobicContact CD2-CE1 4.36Å; L325-F364 HydrophobicContact CD2-CE2 4.43Å; L325-F364 HydrophobicContact CD2-CZ 4.16Å; V351-F364 HydrophobicContact CB-CD1 4.35Å; V351-F364 HydrophobicContact CB-CE1 4.48Å; V351-F364 HydrophobicContact CG1-CD1 3.87Å; V351-F364 HydrophobicContact CG1-CE1 3.67Å; V351-F364 HydrophobicContact CG1-CG 4.45Å; V351-F364 HydrophobicContact CG1-CZ 4.13Å; V351-F364 HydrophobicContact CG2-CD1 3.53Å; V351-F364 HydrophobicContact CG2-CE1 3.9Å; V351-F364 HydrophobicContact CG2-CG 4.41Å; V362-F364 HydrophobicContact CB-CE2 4.49Å; V362-F364 HydrophobicContact CG1-CD2 4.21Å; V362-F364 HydrophobicContact CG1-CE2 3.65Å; V362-F364 HydrophobicContact CG1-CZ 4.06Å
365K88.7Confident81.5Confident70 Ų7056.1 Ų56.130%0.30429%0.292SS..EExtended strand (participates in β ladder)trans-110.9132.8-176-174.9179178.1-175.60111.1H220 C348 N350 Y352 V363H220-K365 WeakPolarHBondContact O-CA 3.11Å; C348-K365 PolarHBondContact SG-O 3.44Å; N350-K365 HydrophobicContact CB-CB 4.48Å; N350-K365 PolarHBondContact N-O 3.39Å; N350-K365 PolarHBondContact O-N 3.26Å; Y352-K365 HydrophobicContact CE1-CB 4.48Å; V363-K365 HydrophobicContact CG1-CB 4.17Å
366H84.3Confident81.7Confident14 Ų1449.9 Ų49.97%0.06526%0.263CS..  trans-105.1135.1167.8-65.294.8000109.6H220 T328 H347 D349H220-H366 PolarHBondContact O-N 3.22Å; T328-H366 PolarHBondContact O-CE1 3.46Å; H347-H366 PolarHBondContact O-NE2 3.38Å; D349-H366 WeakPolarHBondContact OD2-CA 3.46Å
367E74.9Confident82Confident141 Ų14148.5 Ų48.566%0.65926%0.255SS*.SBendtrans-87.9-28.8175.2-66.9-171177.400111.6D349 N350D349-E367 HydrophobicContact CB-CB 4.49Å; D349-E367 HydrophobicContact CB-CG 4.21Å; D349-E367 PolarHBondContact OD2-N 2.95Å; N350-E367 PolarHBondContact ND2-OE1 3.35Å
368K67Low82.5Confident143 Ų14346.5 Ų46.562%0.62223%0.234SC*.SBendtrans-85.8145.1172.2-69.5-176.9179.3178.10111.2D370K368-D370 PolarHBondContact O-N 3.25Å
369E60.1Low82.9Confident148 Ų14839.4 Ų39.469%0.69219%0.194SC*.THydrogen-bonded Turntrans-695.5176.4-68.4-178.8163.400113.8V189 G371V189-E369 HydrophobicContact CG1-CB 4.35Å; V189-E369 HydrophobicContact CG1-CG 4.4Å; V189-E369 HydrophobicContact CG2-CG 4.46Å; E369-G371 PolarHBondContact O-N 3.29Å; E369-G371 VanDerWaalsContact O-N 3.11Å
370D58.2Low83Confident140 Ų14037 Ų3775%0.74918%0.179SC*.THydrogen-bonded Turntrans-74.66.3178.1-63.3-35.8000113.6K368K368-D370 PolarHBondContact O-N 3.25Å
371G57.8Low83Confident9 Ų938.4 Ų38.49%0.09320%0.195CC..  trans-83.6116.7-177.800000113.3E369 I373E369-G371 PolarHBondContact O-N 3.29Å; E369-G371 VanDerWaalsContact O-N 3.11Å; G371-I373 PolarHBondContact O-N 3.21Å; G371-I373 VanDerWaalsContact O-N 3.12Å
372A68.8Low82.9Confident18 Ų1841.6 Ų41.615%0.14922%0.215CC..SBendtrans-65.1-15.3-176.200000116.2F192 S202F192-A372 HydrophobicContact CE2-CB 4.48Å; F192-A372 HydrophobicContact CZ-CB 3.77Å; S202-A372 WeakPolarHBondContact CB-O 3.26Å; S202-A372 PolarHBondContact OG-O 3.26Å
373I82.8Confident82.7Confident4 Ų445.7 Ų45.72%0.02124%0.237CC..  trans-138.1134.8-178.3-48.1-178.8000110.2S202 G221 R324 K327 T328 G371S202-I373 CarbonylContact O-C 3.45Å; S202-I373 WeakPolarHBondContact O-CA 3.35Å; S202-I373 WeakPolarHBondContact O-CB 3.47Å; S202-I373 WeakPolarHBondContact O-CG2 3.4Å; G221-I373 PolarHBondContact N-O 2.75Å; R324-I373 HydrophobicContact CB-CD1 3.82Å; R324-I373 HydrophobicContact CG-CD1 4.15Å; R324-I373 WeakPolarHBondContact O-CD1 3.41Å; K327-I373 HydrophobicContact CB-CD1 4.13Å; T328-I373 HydrophobicContact CG2-CB 3.36Å; T328-I373 HydrophobicContact CG2-CD1 3.61Å; T328-I373 HydrophobicContact CG2-CG1 3.54Å; T328-I373 HydrophobicContact CG2-CG2 4.24Å; G371-I373 PolarHBondContact O-N 3.21Å; G371-I373 VanDerWaalsContact O-N 3.12Å
374S87.7Confident82.5Confident0 Ų048.2 Ų48.20%025%0.251CS..EExtended strand (participates in β ladder)trans-111.9146.2171.4-69.80000110.5S202 V203 R204S202-S374 PolarHBondContact O-N 3.48Å; V203-S374 WeakPolarHBondContact CA-O 3.37Å; R204-S374 PolarHBondContact N-O 3.33Å
375T90.7Very high82.4Confident0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-112.7124.5176.3-56.40000110.5R204 C206 L219 G221 M222 V223 V377R204-T375 HydrophobicContact CB-CG2 4.41Å; R204-T375 CarbonylContact O-C 3.48Å; R204-T375 VanDerWaalsContact O-CA 3.22Å; R204-T375 WeakPolarHBondContact O-CA 3.4Å; C206-T375 HydrophobicContact CB-CG2 3.68Å; L219-T375 PolarHBondContact N-O 3.13Å; L219-T375 PolarHBondContact O-N 2.91Å; G221-T375 WeakPolarHBondContact O-CB 3.16Å; G221-T375 PolarHBondContact O-N 2.9Å; G221-T375 PolarHBondContact O-OG1 3.04Å; M222-T375 WeakPolarHBondContact CA-OG1 2.78Å; V223-T375 HydrophobicContact CB-CG2 4.27Å; V223-T375 HydrophobicContact CG2-CG2 4.34Å; T375-V377 HydrophobicContact CG2-CG2 4.47Å
376V92.9Very high82.4Confident2 Ų247.6 Ų47.61%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-87.3112.3168.4-173.60000107.8A186 V203 R204 V205 C206 V218 I378A186-V376 HydrophobicContact CB-CG2 3.8Å; V203-V376 HydrophobicContact CG1-CG2 4.02Å; R204-V376 PolarHBondContact O-N 3.4Å; V205-V376 WeakPolarHBondContact CA-O 3.34Å; C206-V376 PolarHBondContact N-O 3.12Å; V218-V376 HydrophobicContact CG2-CG2 4.45Å; V376-I378 HydrophobicContact CG1-CG1 3.98Å; V376-I378 PolarHBondContact O-N 3.3Å
377V93.3Very high82.7Confident5 Ų547.8 Ų47.83%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-86.5106.9174.1179.80000108.3C206 I208 S216 T217 L219 V223 T375C206-V377 HydrophobicContact CB-CG2 4.48Å; C206-V377 CarbonylContact O-C 3.57Å; C206-V377 WeakPolarHBondContact O-CA 3.39Å; I208-V377 HydrophobicContact CD1-CG1 3.69Å; I208-V377 HydrophobicContact CG1-CG1 4.25Å; S216-V377 CarbonylContact C-O 3.6Å; S216-V377 VanDerWaalsContact CA-O 3.24Å; S216-V377 WeakPolarHBondContact CA-O 3.48Å; S216-V377 VanDerWaalsContact CB-O 3.23Å; S216-V377 WeakPolarHBondContact CB-O 3.38Å; T217-V377 PolarHBondContact N-O 3.42Å; T217-V377 PolarHBondContact O-N 2.91Å; L219-V377 HydrophobicContact CD1-CG2 3.8Å; L219-V377 HydrophobicContact CG-CG2 4.49Å; V223-V377 HydrophobicContact CB-CG2 4.33Å; V223-V377 HydrophobicContact CG2-CG2 3.83Å; T375-V377 HydrophobicContact CG2-CG2 4.47Å
378I93.3Very high83.4Confident0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-92.4126.5179.6-59.5-178.1000108.8V205 C206 K207 I208 V376 M386 I389 V393V205-I378 HydrophobicContact CB-CD1 4.44Å; V205-I378 HydrophobicContact CG1-CB 4.46Å; V205-I378 HydrophobicContact CG1-CD1 3.3Å; V205-I378 HydrophobicContact CG1-CG1 3.82Å; V205-I378 HydrophobicContact CG2-CD1 4.29Å; C206-I378 PolarHBondContact O-N 2.91Å; K207-I378 CarbonylContact C-O 3.48Å; K207-I378 WeakPolarHBondContact CA-O 3.11Å; I208-I378 PolarHBondContact N-O 3.02Å; V376-I378 HydrophobicContact CG1-CG1 3.98Å; V376-I378 PolarHBondContact O-N 3.3Å; I378-M386 HydrophobicContact CG2-CG 4.37Å; I378-I389 HydrophobicContact CD1-CG2 3.79Å; I378-I389 HydrophobicContact CG2-CB 4.42Å; I378-I389 HydrophobicContact CG2-CG2 3.97Å; I378-V393 HydrophobicContact CD1-CG2 3.86Å
379R91.9Very high84.5Confident22 Ų2234.5 Ų34.58%0.08319%0.192CC..EExtended strand (participates in β ladder)trans-103143.3171.7-62.3-56.9-62.1-96.111.8109.8I208 L209 G210 C211 V213 A215 S216I208-R379 WeakPolarHBondContact O-CA 3.45Å; I208-R379 WeakPolarHBondContact O-CD 3.28Å; I208-R379 PolarHBondContact O-NE 3.07Å; L209-R379 PolarHBondContact O-NH2 3.43Å; G210-R379 PolarHBondContact O-NE 3.48Å; G210-R379 VanDerWaalsContact O-NE 3.16Å; C211-R379 HydrophobicContact CB-CB 4.45Å; V213-R379 WeakPolarHBondContact CA-O 3.47Å; A215-R379 HydrophobicContact CB-CB 4.37Å; A215-R379 HydrophobicContact CB-CG 4.39Å; S216-R379 PolarHBondContact OG-N 3.16Å
380G90.8Very high86.1Confident0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-166.5154.9-179.200000113.1G210 C211G210-G380 PolarHBondContact N-O 3.09Å; G210-G380 PolarHBondContact O-N 3.07Å; C211-G380 CarbonylContact O-C 3.56Å
381S90.1Very high87.5Confident86 Ų8625 Ų2560%0.60114%0.141SC*.SBendtrans-77.1-31.3-177.553.20000113.5C211C211-S381 PolarHBondContact O-N 3.19Å
382T90.4Very high89.1Confident69 Ų6924.6 Ų24.642%0.42314%0.137SC..SBendtrans-132.8146.1-179.263.90000111N384 L385 M386T382-N384 VanDerWaalsContact C-N 3.28Å; T382-N384 PolarHBondContact O-N 3.29Å; T382-L385 PolarHBondContact O-N 2.66Å; T382-L385 WeakPolarHBondContact OG1-CB 3.4Å; T382-L385 PolarHBondContact OG1-N 3.27Å; T382-M386 PolarHBondContact O-N 3.47Å
383D88.9Confident90.3Very high85 Ų8523.8 Ų23.846%0.45513%0.13SC..Hα-helixtrans-61.8-37.5177.7-72.6-41.9000112.1L209 L385 M386 D387L209-D383 WeakPolarHBondContact CD2-OD1 3.36Å; D383-L385 VanDerWaalsContact C-N 3.34Å; D383-L385 PolarHBondContact O-N 3.12Å; D383-M386 PolarHBondContact O-N 3Å; D383-M386 VanDerWaalsContact O-N 3.14Å; D383-M386 WeakPolarHBondContact OD1-CE 3.44Å; D383-D387 PolarHBondContact O-N 3.09Å
384N88.3Confident90.7Very high57 Ų5726.5 Ų26.531%0.30515%0.145SC..Hα-helixtrans-61.8-41.2179.3-63.3-18.7000112.2V65 T382 D388V65-N384 HydrophobicContact CG2-CB 4.37Å; T382-N384 VanDerWaalsContact C-N 3.28Å; T382-N384 PolarHBondContact O-N 3.29Å; N384-D388 PolarHBondContact O-N 3.37Å
385L88.7Confident90.8Very high56 Ų5626.7 Ų26.729%0.29315%0.146SC..Hα-helixtrans-66.5-41.8175.5-179.768.5000110.6V213 T382 D383 D388 I389V213-L385 HydrophobicContact CG2-CD2 4.13Å; T382-L385 PolarHBondContact O-N 2.66Å; T382-L385 WeakPolarHBondContact OG1-CB 3.4Å; T382-L385 PolarHBondContact OG1-N 3.27Å; D383-L385 VanDerWaalsContact C-N 3.34Å; D383-L385 PolarHBondContact O-N 3.12Å; L385-D388 PolarHBondContact O-N 3.48Å; L385-I389 HydrophobicContact CD1-CD1 4.34Å; L385-I389 HydrophobicContact CD2-CD1 4.37Å; L385-I389 HydrophobicContact CG-CD1 3.87Å; L385-I389 HydrophobicContact CG-CG1 4.44Å; L385-I389 VanDerWaalsContact O-CG1 3.29Å; L385-I389 WeakPolarHBondContact O-CG1 3.43Å; L385-I389 PolarHBondContact O-N 3.26Å
386M90.5Very high90.9Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-67.9-34.6179.5-70.3-172-73.600113.2K207 L209 I378 T382 D383 D388 I389 E390K207-M386 HydrophobicContact CB-CB 4.33Å; K207-M386 HydrophobicContact CB-SD 4.03Å; K207-M386 HydrophobicContact CD-CB 3.85Å; K207-M386 HydrophobicContact CG-CB 4.15Å; L209-M386 HydrophobicContact CB-CE 4.43Å; L209-M386 HydrophobicContact CD2-CE 3.23Å; L209-M386 HydrophobicContact CG-CE 3.65Å; I378-M386 HydrophobicContact CG2-CG 4.37Å; T382-M386 PolarHBondContact O-N 3.47Å; D383-M386 PolarHBondContact O-N 3Å; D383-M386 VanDerWaalsContact O-N 3.14Å; D383-M386 WeakPolarHBondContact OD1-CE 3.44Å; M386-D388 VanDerWaalsContact C-N 3.25Å; M386-D388 PolarHBondContact O-N 3.29Å; M386-I389 PolarHBondContact O-N 2.94Å; M386-E390 VanDerWaalsContact O-CB 3.26Å; M386-E390 WeakPolarHBondContact O-CB 3.49Å; M386-E390 PolarHBondContact O-N 3.47Å
387D90.3Very high90.8Very high19 Ų1926.6 Ų26.610%0.10215%0.146CC..Hα-helixtrans-61.9-35.4172.8-806.3000111.2K207 D383 R391K207-D387 IonicContact NZ-OD1 2.88Å; K207-D387 PolarHBondContact NZ-OD1 3.16Å; D383-D387 PolarHBondContact O-N 3.09Å; D387-R391 VanDerWaalsContact O-CG 3.32Å; D387-R391 WeakPolarHBondContact O-CG 3.37Å; D387-R391 PolarHBondContact O-N 3.45Å
388D88.4Confident90.7Very high4 Ų427.5 Ų27.52%0.02115%0.15CC..Hα-helixtrans-77.4-39.5178.2-159.659.3000112.4T66 Q172 N384 L385 M386 R391 A392T66-D388 WeakPolarHBondContact CA-OD1 3.47Å; T66-D388 WeakPolarHBondContact CB-OD1 3.49Å; T66-D388 PolarHBondContact OG1-OD1 2.96Å; Q172-D388 PolarHBondContact NE2-OD2 3.39Å; N384-D388 PolarHBondContact O-N 3.37Å; L385-D388 PolarHBondContact O-N 3.48Å; M386-D388 VanDerWaalsContact C-N 3.25Å; M386-D388 PolarHBondContact O-N 3.29Å; D388-R391 PolarHBondContact O-N 3.47Å; D388-A392 PolarHBondContact O-N 3.42Å
389I91.6Very high90.6Very high0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-65.5-40.9173.2-61.8168.3000110.9Q172 L179 V213 I378 L385 M386 R391 A392 V393Q172-I389 HydrophobicContact CG-CG1 4.26Å; L179-I389 HydrophobicContact CD1-CG2 4.08Å; L179-I389 HydrophobicContact CD2-CG2 3.87Å; V213-I389 HydrophobicContact CB-CD1 4.34Å; V213-I389 HydrophobicContact CG1-CD1 3.86Å; V213-I389 HydrophobicContact CG2-CD1 3.48Å; V213-I389 VanDerWaalsContact CG2-CD1 3.48Å; I378-I389 HydrophobicContact CD1-CG2 3.79Å; I378-I389 HydrophobicContact CG2-CB 4.42Å; I378-I389 HydrophobicContact CG2-CG2 3.97Å; L385-I389 HydrophobicContact CD1-CD1 4.34Å; L385-I389 HydrophobicContact CD2-CD1 4.37Å; L385-I389 HydrophobicContact CG-CD1 3.87Å; L385-I389 HydrophobicContact CG-CG1 4.44Å; L385-I389 VanDerWaalsContact O-CG1 3.29Å; L385-I389 WeakPolarHBondContact O-CG1 3.43Å; L385-I389 PolarHBondContact O-N 3.26Å; M386-I389 PolarHBondContact O-N 2.94Å; I389-R391 VanDerWaalsContact C-N 3.26Å; I389-R391 PolarHBondContact O-N 3.48Å; I389-A392 WeakPolarHBondContact O-CB 3.41Å; I389-A392 PolarHBondContact O-N 3.38Å; I389-A392 VanDerWaalsContact O-N 3.09Å; I389-V393 WeakPolarHBondContact O-CG2 3.38Å; I389-V393 PolarHBondContact O-N 3.28Å
390E92.1Very high90.4Very high52 Ų5226.4 Ų26.424%0.24315%0.146CC..Hα-helixtrans-55.4-43.8174.7175.9175.3-144.500111V205 K207 M386 V393 D394V205-E390 HydrophobicContact CB-CG 4.01Å; V205-E390 HydrophobicContact CG1-CB 4.08Å; V205-E390 HydrophobicContact CG1-CG 3.89Å; V205-E390 HydrophobicContact CG2-CG 4.28Å; K207-E390 HydrophobicContact CD-CB 4.19Å; K207-E390 WeakPolarHBondContact CD-OE2 3.04Å; K207-E390 WeakPolarHBondContact CE-OE2 3.33Å; K207-E390 IonicContact NZ-OE2 2.91Å; K207-E390 PolarHBondContact NZ-OE2 2.99Å; M386-E390 VanDerWaalsContact O-CB 3.26Å; M386-E390 WeakPolarHBondContact O-CB 3.49Å; M386-E390 PolarHBondContact O-N 3.47Å; E390-V393 WeakPolarHBondContact O-CB 3.5Å; E390-V393 PolarHBondContact O-N 3.49Å; E390-D394 PolarHBondContact O-N 3Å
391R89.2Confident90.4Very high37 Ų3728.4 Ų28.414%0.1416%0.155CC..Hα-helixtrans-65.3-40.3174.8-67.5167.9-172.4149.13112.5F64 T66 T71 D387 D388 I389 V393 D394 D395F64-R391 VanDerWaalsContact CD1-NH2 3.31Å; T66-R391 VanDerWaalsContact CB-NH1 3.27Å; T66-R391 PolarHBondContact OG1-NH1 3.03Å; T71-R391 VanDerWaalsContact CG2-CZ 3.42Å; D387-R391 VanDerWaalsContact O-CG 3.32Å; D387-R391 WeakPolarHBondContact O-CG 3.37Å; D387-R391 PolarHBondContact O-N 3.45Å; D388-R391 PolarHBondContact O-N 3.47Å; I389-R391 VanDerWaalsContact C-N 3.26Å; I389-R391 PolarHBondContact O-N 3.48Å; R391-V393 VanDerWaalsContact C-N 3.26Å; R391-V393 PolarHBondContact O-N 3.16Å; R391-D394 PolarHBondContact O-N 3.3Å; R391-D395 PolarHBondContact O-N 3.27Å; R391-D395 VanDerWaalsContact O-OD1 3.08Å
392A91.1Very high90.3Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-63.2-35175.700000112V168 K171 Q172 D388 I389 G396V168-A392 HydrophobicContact CG1-CB 4.46Å; K171-A392 HydrophobicContact CB-CB 4.02Å; K171-A392 HydrophobicContact CD-CB 4.26Å; Q172-A392 HydrophobicContact CG-CB 4Å; D388-A392 PolarHBondContact O-N 3.42Å; I389-A392 WeakPolarHBondContact O-CB 3.41Å; I389-A392 PolarHBondContact O-N 3.38Å; I389-A392 VanDerWaalsContact O-N 3.09Å; A392-G396 PolarHBondContact O-N 3.43Å; A392-G396 VanDerWaalsContact O-N 3.08Å
393V92.6Very high90.1Very high1 Ų121.1 Ų21.11%0.00611%0.106CC..Hα-helixtrans-65.6-48.7171.7171.10000110.9I183 V205 I378 I389 E390 R391 D395 G396 V397I183-V393 HydrophobicContact CD1-CB 4.36Å; I183-V393 HydrophobicContact CD1-CG2 4.09Å; I183-V393 HydrophobicContact CG1-CB 4.37Å; I183-V393 HydrophobicContact CG1-CG1 4.1Å; I183-V393 HydrophobicContact CG1-CG2 4.07Å; V205-V393 HydrophobicContact CG2-CB 4Å; V205-V393 HydrophobicContact CG2-CG1 3.56Å; I378-V393 HydrophobicContact CD1-CG2 3.86Å; I389-V393 WeakPolarHBondContact O-CG2 3.38Å; I389-V393 PolarHBondContact O-N 3.28Å; E390-V393 WeakPolarHBondContact O-CB 3.5Å; E390-V393 PolarHBondContact O-N 3.49Å; R391-V393 VanDerWaalsContact C-N 3.26Å; R391-V393 PolarHBondContact O-N 3.16Å; V393-D395 VanDerWaalsContact C-N 3.32Å; V393-D395 PolarHBondContact O-N 3.13Å; V393-G396 PolarHBondContact O-N 3.22Å; V393-G396 VanDerWaalsContact O-N 3.13Å; V393-V397 HydrophobicContact CG1-CG2 4.28Å; V393-V397 VanDerWaalsContact O-CG2 3.29Å; V393-V397 WeakPolarHBondContact O-CG2 3.42Å; V393-V397 PolarHBondContact O-N 2.88Å
394D91.3Very high90Very high62 Ų6218.7 Ų18.733%0.33210%0.095SC..Hα-helixtrans-58.7-42.6179.8-71.8-20.5000112E390 R391 V397 N398E390-D394 PolarHBondContact O-N 3Å; R391-D394 PolarHBondContact O-N 3.3Å; D394-V397 PolarHBondContact O-N 2.71Å; D394-N398 WeakPolarHBondContact O-CB 3.32Å; D394-N398 VanDerWaalsContact O-CG 3.25Å; D394-N398 PolarHBondContact O-N 2.77Å; D394-N398 PolarHBondContact O-ND2 3.24Å; D394-N398 VanDerWaalsContact O-ND2 3.14Å
395D90.9Very high89.9Confident3 Ų323 Ų232%0.01611%0.107CC..Hα-helixtrans-64-40.6174-82.150.7000113K171 R391 V393 V397 N398 T399K171-D395 HydrophobicContact CD-CB 4.46Å; K171-D395 WeakPolarHBondContact CE-OD2 3.28Å; K171-D395 IonicContact NZ-OD1 2.67Å; K171-D395 PolarHBondContact NZ-OD1 3.15Å; K171-D395 IonicContact NZ-OD2 3.87Å; K171-D395 PolarHBondContact NZ-OD2 2.84Å; R391-D395 PolarHBondContact O-N 3.27Å; R391-D395 VanDerWaalsContact O-OD1 3.08Å; V393-D395 VanDerWaalsContact C-N 3.32Å; V393-D395 PolarHBondContact O-N 3.13Å; D395-V397 VanDerWaalsContact C-N 3.31Å; D395-V397 PolarHBondContact O-N 2.97Å; D395-N398 PolarHBondContact O-N 3.43Å; D395-T399 WeakPolarHBondContact O-CB 3.46Å; D395-T399 PolarHBondContact O-N 3.41Å; D395-T399 PolarHBondContact O-OG1 3.29Å
396G91.5Very high89.9Confident0 Ų021.7 Ų21.70%010%0.1CC..Hα-helixtrans-61.5-41.3174.500000111.9A392 V393 T399 F400A392-G396 PolarHBondContact O-N 3.43Å; A392-G396 VanDerWaalsContact O-N 3.08Å; V393-G396 PolarHBondContact O-N 3.22Å; V393-G396 VanDerWaalsContact O-N 3.13Å; G396-T399 WeakPolarHBondContact O-CB 3.14Å; G396-T399 PolarHBondContact O-N 2.96Å; G396-F400 PolarHBondContact O-N 3.1Å
397V91.8Very high89.8Confident1 Ų125.5 Ų25.51%0.00612%0.116CC..Hα-helixtrans-67.1-39.7175.51770000111.2I183 F198 V200 V203 V393 D394 D395 F400 K401I183-V397 HydrophobicContact CG2-CG2 3.91Å; F198-V397 HydrophobicContact CE1-CG1 3.63Å; F198-V397 HydrophobicContact CZ-CG1 3.85Å; V200-V397 HydrophobicContact CB-CG1 4.35Å; V200-V397 HydrophobicContact CG1-CG1 3.82Å; V203-V397 HydrophobicContact CB-CG1 4.15Å; V203-V397 HydrophobicContact CB-CG2 3.85Å; V203-V397 HydrophobicContact CG1-CG2 3.78Å; V203-V397 HydrophobicContact CG2-CG1 4.16Å; V203-V397 HydrophobicContact CG2-CG2 4.12Å; V393-V397 HydrophobicContact CG1-CG2 4.28Å; V393-V397 VanDerWaalsContact O-CG2 3.29Å; V393-V397 WeakPolarHBondContact O-CG2 3.42Å; V393-V397 PolarHBondContact O-N 2.88Å; D394-V397 PolarHBondContact O-N 2.71Å; D395-V397 VanDerWaalsContact C-N 3.31Å; D395-V397 PolarHBondContact O-N 2.97Å; V397-F400 WeakPolarHBondContact O-CB 3.37Å; V397-F400 PolarHBondContact O-N 3.41Å; V397-K401 PolarHBondContact O-N 2.94Å
398N91.2Very high89.9Confident23 Ų2330 Ų3012%0.12313%0.132CC..Hα-helixtrans-66.4-41175.3-75.2-35.8000112V200 D394 D395 F400 K401 V402V200-N398 WeakPolarHBondContact CG1-OD1 3.45Å; V200-N398 WeakPolarHBondContact CG2-OD1 3.41Å; D394-N398 WeakPolarHBondContact O-CB 3.32Å; D394-N398 VanDerWaalsContact O-CG 3.25Å; D394-N398 PolarHBondContact O-N 2.77Å; D394-N398 PolarHBondContact O-ND2 3.24Å; D394-N398 VanDerWaalsContact O-ND2 3.14Å; D395-N398 PolarHBondContact O-N 3.43Å; N398-F400 VanDerWaalsContact C-N 3.27Å; N398-F400 PolarHBondContact O-N 2.93Å; N398-K401 VanDerWaalsContact O-CB 3.3Å; N398-K401 WeakPolarHBondContact O-CB 3.36Å; N398-K401 PolarHBondContact O-N 3.39Å; N398-K401 VanDerWaalsContact O-N 3.17Å; N398-V402 WeakPolarHBondContact O-CG2 3.37Å; N398-V402 PolarHBondContact O-N 2.97Å
399T90.2Very high90.1Very high0 Ų030 Ų300%013%0.132CC..Hα-helixtrans-58.3-43.9172.6-58.60000110.1A167 D395 G396 K401 V402 L403 P501A167-T399 HydrophobicContact CB-CG2 4.24Å; A167-T399 WeakPolarHBondContact CB-OG1 3.43Å; D395-T399 WeakPolarHBondContact O-CB 3.46Å; D395-T399 PolarHBondContact O-N 3.41Å; D395-T399 PolarHBondContact O-OG1 3.29Å; G396-T399 WeakPolarHBondContact O-CB 3.14Å; G396-T399 PolarHBondContact O-N 2.96Å; T399-K401 PolarHBondContact O-N 3.45Å; T399-V402 WeakPolarHBondContact O-CB 3.35Å; T399-V402 PolarHBondContact O-N 3.33Å; T399-L403 HydrophobicContact CG2-CD1 4.43Å; T399-L403 WeakPolarHBondContact O-CG 2.9Å; T399-L403 PolarHBondContact O-N 3.26Å; T399-P501 HydrophobicContact CG2-CG 3.76Å
400F89.4Confident90.2Very high0 Ų030 Ų300%013%0.132CC..Hα-helixtrans-61-44.7175.1-167.2-99.2000112.9L154 A160 I164 C187 I191 F198 G396 V397 N398 V402 L403 V404L154-F400 HydrophobicContact CB-CE2 4.01Å; L154-F400 HydrophobicContact CB-CZ 3.88Å; L154-F400 HydrophobicContact CD2-CE2 4.27Å; A160-F400 HydrophobicContact CB-CE2 4Å; I164-F400 HydrophobicContact CD1-CB 4.35Å; I164-F400 HydrophobicContact CD1-CD2 3.94Å; C187-F400 HydrophobicContact CB-CD1 3.68Å; C187-F400 HydrophobicContact CB-CD2 4.23Å; C187-F400 HydrophobicContact CB-CE1 3.82Å; C187-F400 HydrophobicContact CB-CE2 4.34Å; C187-F400 HydrophobicContact CB-CG 3.89Å; C187-F400 HydrophobicContact CB-CZ 4.15Å; I191-F400 HydrophobicContact CD1-CE1 3.57Å; I191-F400 HydrophobicContact CD1-CZ 3.32Å; I191-F400 HydrophobicContact CG1-CE1 3.72Å; I191-F400 HydrophobicContact CG1-CZ 4.03Å; F198-F400 HydrophobicContact CD1-CD1 4.21Å; F198-F400 AromaticContact CD2-CD1 3.96Å; F198-F400 HydrophobicContact CD2-CD1 3.96Å; F198-F400 AromaticContact CD2-CE1 3.96Å; F198-F400 HydrophobicContact CD2-CE1 3.96Å; F198-F400 HydrophobicContact CE1-CD1 4.04Å; F198-F400 AromaticContact CE2-CD1 3.79Å; F198-F400 HydrophobicContact CE2-CD1 3.79Å; F198-F400 AromaticContact CE2-CE1 3.98Å; F198-F400 HydrophobicContact CE2-CE1 3.98Å; F198-F400 HydrophobicContact CG-CD1 4.16Å; F198-F400 HydrophobicContact CG-CE1 4.43Å; F198-F400 AromaticContact CZ-CD1 3.84Å; F198-F400 HydrophobicContact CZ-CD1 3.84Å; F198-F400 HydrophobicContact CZ-CE1 4.48Å; G396-F400 PolarHBondContact O-N 3.1Å; V397-F400 WeakPolarHBondContact O-CB 3.37Å; V397-F400 PolarHBondContact O-N 3.41Å; N398-F400 VanDerWaalsContact C-N 3.27Å; N398-F400 PolarHBondContact O-N 2.93Å; F400-V402 VanDerWaalsContact C-N 3.27Å; F400-V402 PolarHBondContact O-N 3.23Å; F400-L403 WeakPolarHBondContact O-CB 3.34Å; F400-L403 PolarHBondContact O-N 3.32Å; F400-L403 VanDerWaalsContact O-N 3.16Å; F400-V404 HydrophobicContact CD1-CG2 4.19Å; F400-V404 HydrophobicContact CE1-CG2 3.89Å; F400-V404 HydrophobicContact CZ-CG2 4.42Å; F400-V404 WeakPolarHBondContact O-CG2 3.4Å; F400-V404 PolarHBondContact O-N 3.31Å
401K88.8Confident90.2Very high42 Ų4227.6 Ų27.618%0.18312%0.121CC..Hα-helixtrans-56.6-40.8174.1-175.7-150.5-170.6178.60112.1F198 V200 V397 N398 T399 V404 R405F198-K401 HydrophobicContact CD1-CB 3.74Å; F198-K401 HydrophobicContact CD1-CG 4.18Å; F198-K401 HydrophobicContact CE1-CB 4.27Å; V200-K401 HydrophobicContact CG2-CB 4.19Å; V200-K401 HydrophobicContact CG2-CD 3.6Å; V200-K401 HydrophobicContact CG2-CG 4.11Å; V397-K401 PolarHBondContact O-N 2.94Å; N398-K401 VanDerWaalsContact O-CB 3.3Å; N398-K401 WeakPolarHBondContact O-CB 3.36Å; N398-K401 PolarHBondContact O-N 3.39Å; N398-K401 VanDerWaalsContact O-N 3.17Å; T399-K401 PolarHBondContact O-N 3.45Å; K401-V404 PolarHBondContact O-N 3.37Å; K401-R405 PolarHBondContact O-N 2.72Å
402V89.4Confident90.3Very high1 Ų125.8 Ų25.81%0.00611%0.114CC..Hα-helixtrans-65.8-43.3177.8169.10000110.6V97 N398 T399 F400 V404 R405 D406 P501 L503V97-V402 HydrophobicContact CB-CG2 4.25Å; V97-V402 HydrophobicContact CG1-CG2 3.73Å; V97-V402 WeakPolarHBondContact O-CG2 3.24Å; N398-V402 WeakPolarHBondContact O-CG2 3.37Å; N398-V402 PolarHBondContact O-N 2.97Å; T399-V402 WeakPolarHBondContact O-CB 3.35Å; T399-V402 PolarHBondContact O-N 3.33Å; F400-V402 VanDerWaalsContact C-N 3.27Å; F400-V402 PolarHBondContact O-N 3.23Å; V402-V404 VanDerWaalsContact C-N 3.31Å; V402-V404 PolarHBondContact O-N 3.24Å; V402-R405 WeakPolarHBondContact O-CB 3.4Å; V402-R405 PolarHBondContact O-N 3.08Å; V402-D406 PolarHBondContact O-N 3.07Å; V402-P501 HydrophobicContact CG1-CB 4.09Å; V402-L503 HydrophobicContact CG1-CB 3.75Å; V402-L503 HydrophobicContact CG1-CD2 3.93Å; V402-L503 HydrophobicContact CG1-CG 4.41Å
403L86.8Confident90.3Very high0 Ų026.6 Ų26.60%012%0.121CC..Hα-helixtrans-63.3-35.5177.8-67168.9000113L154 V163 T399 F400 R405 D406 K407 L409 P501L154-L403 HydrophobicContact CD1-CB 4.21Å; L154-L403 HydrophobicContact CD2-CB 3.89Å; L154-L403 HydrophobicContact CD2-CD1 4.35Å; V163-L403 HydrophobicContact CB-CD1 3.79Å; V163-L403 HydrophobicContact CG1-CD1 3.48Å; V163-L403 VanDerWaalsContact CG1-CD1 3.48Å; V163-L403 HydrophobicContact CG1-CD2 3.95Å; V163-L403 HydrophobicContact CG1-CG 4.25Å; V163-L403 HydrophobicContact CG2-CD1 4.39Å; T399-L403 HydrophobicContact CG2-CD1 4.43Å; T399-L403 WeakPolarHBondContact O-CG 2.9Å; T399-L403 PolarHBondContact O-N 3.26Å; F400-L403 WeakPolarHBondContact O-CB 3.34Å; F400-L403 PolarHBondContact O-N 3.32Å; F400-L403 VanDerWaalsContact O-N 3.16Å; L403-R405 PolarHBondContact O-N 3.2Å; L403-D406 WeakPolarHBondContact CA-O 3.49Å; L403-D406 CarbonylContact O-C 3.59Å; L403-D406 PolarHBondContact O-N 2.95Å; L403-K407 WeakPolarHBondContact O-CG 3.35Å; L403-L409 HydrophobicContact CD2-CD2 3.67Å; L403-P501 HydrophobicContact CD2-CB 4.26Å; L403-P501 HydrophobicContact CD2-CG 4.38Å
404V86.3Confident90.2Very high35 Ų3526.7 Ų26.721%0.21212%0.121CC..Hα-helixtrans-60.8-33.7174.3172.90000111.2L154 G196 F198 F400 K401 V402L154-V404 HydrophobicContact CD1-CB 4.27Å; L154-V404 HydrophobicContact CD1-CG2 3.72Å; G196-V404 WeakPolarHBondContact O-CG1 3.49Å; F198-V404 HydrophobicContact CB-CB 4.33Å; F198-V404 HydrophobicContact CB-CG1 4.24Å; F198-V404 HydrophobicContact CB-CG2 4Å; F400-V404 HydrophobicContact CD1-CG2 4.19Å; F400-V404 HydrophobicContact CE1-CG2 3.89Å; F400-V404 HydrophobicContact CZ-CG2 4.42Å; F400-V404 WeakPolarHBondContact O-CG2 3.4Å; F400-V404 PolarHBondContact O-N 3.31Å; K401-V404 PolarHBondContact O-N 3.37Å; V402-V404 VanDerWaalsContact C-N 3.31Å; V402-V404 PolarHBondContact O-N 3.24Å
405R86.3Confident90.3Very high148 Ų14823.7 Ų23.756%0.55811%0.106SC*.Hα-helixtrans-81.1-46.6177.1-65.2177174.9-173.6-3.1112.8E96 K401 V402 L403E96-R405 IonicContact OE1-NH1 3.99Å; E96-R405 PolarHBondContact OE1-NH1 3.17Å; K401-R405 PolarHBondContact O-N 2.72Å; V402-R405 WeakPolarHBondContact O-CB 3.4Å; V402-R405 PolarHBondContact O-N 3.08Å; L403-R405 PolarHBondContact O-N 3.2Å
406D87.8Confident90.5Very high28 Ų2823.6 Ų23.615%0.1511%0.105CC..  trans-139.3119.2179.5-169.716000110.8V402 L403 R408 Y502V402-D406 PolarHBondContact O-N 3.07Å; L403-D406 WeakPolarHBondContact CA-O 3.49Å; L403-D406 CarbonylContact O-C 3.59Å; L403-D406 PolarHBondContact O-N 2.95Å; D406-R408 VanDerWaalsContact C-N 3.3Å; D406-R408 PolarHBondContact O-N 3.23Å; D406-R408 WeakPolarHBondContact OD1-CG 3.47Å; D406-R408 IonicContact OD1-CZ 3.32Å; D406-R408 IonicContact OD1-NE 3.85Å; D406-R408 PolarHBondContact OD1-NE 2.98Å; D406-R408 IonicContact OD1-NH2 3Å; D406-R408 IonicContact OD2-NE 3.41Å; D406-R408 PolarHBondContact OD2-NE 3.41Å; D406-Y502 WeakPolarHBondContact OD2-CD1 3.27Å
407K89Confident90.6Very high80 Ų8023.8 Ų23.835%0.34811%0.106SC..  trans-88.68.6-172.2-57.7-168.1-171.9179.40113.6S150 A151 K152 L403S150-K407 CarbonylContact C-O 3.51Å; S150-K407 WeakPolarHBondContact CA-O 3.3Å; S150-K407 PolarHBondContact OG-O 2.98Å; A151-K407 HydrophobicContact CB-CB 4.19Å; A151-K407 PolarHBondContact N-O 2.94Å; A151-K407 WeakPolarHBondContact O-CB 3.39Å; A151-K407 WeakPolarHBondContact O-CD 3.48Å; K152-K407 PolarHBondContact O-NZ 2.86Å; L403-K407 WeakPolarHBondContact O-CG 3.35Å
408R92.1Very high90.8Very high112 Ų11223.8 Ų23.842%0.42311%0.106SC..EExtended strand (participates in β ladder)trans-83134.3-174.8-67177-119.7-161.7-9.6111.2I147 D406 Y502I147-R408 HydrophobicContact CD1-CB 4.01Å; I147-R408 HydrophobicContact CD1-CG 3.95Å; I147-R408 HydrophobicContact CG1-CB 4.43Å; I147-R408 HydrophobicContact CG2-CB 4.36Å; D406-R408 VanDerWaalsContact C-N 3.3Å; D406-R408 PolarHBondContact O-N 3.23Å; D406-R408 WeakPolarHBondContact OD1-CG 3.47Å; D406-R408 IonicContact OD1-CZ 3.32Å; D406-R408 IonicContact OD1-NE 3.85Å; D406-R408 PolarHBondContact OD1-NE 2.98Å; D406-R408 IonicContact OD1-NH2 3Å; D406-R408 IonicContact OD2-NE 3.41Å; D406-R408 PolarHBondContact OD2-NE 3.41Å; R408-Y502 HydrophobicContact CB-CG 4.32Å; R408-Y502 WeakPolarHBondContact O-CB 3.21Å; R408-Y502 PolarHBondContact O-N 3.46Å
409L92.3Very high91Very high5 Ų523 Ų233%0.02610%0.101CC..EExtended strand (participates in β ladder)trans-120.2143.4-179.2-58.5176.5000110.6I147 C148 S149 V163 L403 L499 D500I147-L409 WeakPolarHBondContact CG2-O 3.22Å; C148-L409 PolarHBondContact N-O 2.88Å; C148-L409 VanDerWaalsContact N-O 3.13Å; C148-L409 PolarHBondContact SG-O 3.03Å; S149-L409 PolarHBondContact O-N 3.39Å; V163-L409 HydrophobicContact CG1-CD2 3.74Å; V163-L409 HydrophobicContact CG2-CD1 3.72Å; V163-L409 HydrophobicContact CG2-CD2 4.31Å; L403-L409 HydrophobicContact CD2-CD2 3.67Å; L409-L499 HydrophobicContact CB-CB 4.21Å; L409-L499 HydrophobicContact CB-CD1 4.17Å; L409-L499 HydrophobicContact CD1-CB 4.41Å; L409-L499 HydrophobicContact CD1-CD1 3.83Å; L409-D500 WeakPolarHBondContact CA-O 3.35Å
410V93.5Very high91.2Very high0 Ų023.1 Ų23.10%010%0.102CC..EExtended strand (participates in β ladder)trans-121.1150.3177.7-65.10000109.8I147 G412 L499 D500 Y502 K505I147-V410 HydrophobicContact CG1-CG1 4.22Å; V410-G412 PolarHBondContact O-N 3.05Å; V410-L499 WeakPolarHBondContact O-CA 3.35Å; V410-D500 HydrophobicContact CG2-CB 4.15Å; V410-D500 WeakPolarHBondContact CG2-O 3.12Å; V410-D500 PolarHBondContact N-O 3.18Å; V410-D500 PolarHBondContact O-N 2.94Å; V410-Y502 HydrophobicContact CG1-CD2 4.19Å; V410-K505 HydrophobicContact CG2-CG 4Å
411P93.4Very high91.5Very high1 Ų123.1 Ų23.11%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-67.6129.6-178.528.2-34.2000110.9C146 A415 T416 M493C146-P411 WeakPolarHBondContact O-CD 3.42Å; P411-A415 HydrophobicContact CB-CB 3.91Å; P411-A415 HydrophobicContact CG-CB 4.09Å; P411-T416 WeakPolarHBondContact CD-OG1 3.26Å; P411-T416 PolarHBondContact O-N 3.25Å; P411-T416 PolarHBondContact O-OG1 2.94Å; P411-M493 HydrophobicContact CB-CB 4.15Å
412G91.2Very high91.7Very high0 Ų023.7 Ų23.70%010%0.104CC..THydrogen-bonded Turntrans-81.3-158.1-177.800000114V410 G414 A415 I498V410-G412 PolarHBondContact O-N 3.05Å; G412-G414 VanDerWaalsContact C-N 3.25Å; G412-G414 PolarHBondContact O-N 3.25Å; G412-G414 VanDerWaalsContact O-N 3.09Å; G412-A415 WeakPolarHBondContact O-CB 3.33Å; G412-A415 PolarHBondContact O-N 3Å; G412-I498 PolarHBondContact N-O 2.89Å
413A90.8Very high92Very high17 Ų1725.6 Ų25.614%0.1411%0.114CC..THydrogen-bonded Turntrans5232.117300000116.2F481 M493A413-F481 WeakPolarHBondContact CB-O 3.41Å; A413-F481 WeakPolarHBondContact O-CB 3.44Å; A413-F481 PolarHBondContact O-N 3.18Å; A413-M493 HydrophobicContact CB-CE 4.33Å; A413-M493 HydrophobicContact CB-CG 4.23Å; A413-M493 HydrophobicContact CB-SD 3.4Å; A413-M493 WeakPolarHBondContact CB-SD 3.2Å
414G90.4Very high92.4Very high2 Ų225.6 Ų25.62%0.02111%0.114CC..THydrogen-bonded Turntrans91.6-6.6178.300000115.1G412 E417 I418G412-G414 VanDerWaalsContact C-N 3.25Å; G412-G414 PolarHBondContact O-N 3.25Å; G412-G414 VanDerWaalsContact O-N 3.09Å; G414-E417 VanDerWaalsContact C-OE2 3.23Å; G414-E417 WeakPolarHBondContact CA-OE2 3.38Å; G414-E417 PolarHBondContact N-OE2 3.24Å; G414-E417 PolarHBondContact O-N 3.42Å; G414-I418 WeakPolarHBondContact O-CG1 3.25Å; G414-I418 PolarHBondContact O-N 3.41Å
415A93.4Very high92.8Very high0 Ų026 Ų260%012%0.116CC..Hα-helixtrans-64.4-48.7-178.700000111.5P411 G412 E417 I418 E419 H472 I479 M493P411-A415 HydrophobicContact CB-CB 3.91Å; P411-A415 HydrophobicContact CG-CB 4.09Å; G412-A415 WeakPolarHBondContact O-CB 3.33Å; G412-A415 PolarHBondContact O-N 3Å; A415-E417 VanDerWaalsContact C-N 3.32Å; A415-E417 PolarHBondContact O-N 2.84Å; A415-I418 PolarHBondContact O-N 3.21Å; A415-E419 WeakPolarHBondContact O-CB 3.4Å; A415-E419 PolarHBondContact O-N 3.07Å; A415-E419 VanDerWaalsContact O-N 3.07Å; A415-H472 PolarHBondContact O-CE1 2.94Å; A415-I479 VanDerWaalsContact CB-O 3.28Å; A415-I479 WeakPolarHBondContact CB-O 3.32Å; A415-M493 HydrophobicContact CB-CG 4.47Å
416T94.4Very high93.1Very high1 Ų122.3 Ų22.31%0.00611%0.113CC..Hα-helixtrans-61.8-42.1177-62.60000111.1L143 P411 E419 L420L143-T416 HydrophobicContact CD1-CG2 3.81Å; P411-T416 WeakPolarHBondContact CD-OG1 3.26Å; P411-T416 PolarHBondContact O-N 3.25Å; P411-T416 PolarHBondContact O-OG1 2.94Å; T416-E419 PolarHBondContact O-N 3.2Å; T416-L420 HydrophobicContact CG2-CD1 4.01Å; T416-L420 HydrophobicContact CG2-CG 4.36Å; T416-L420 WeakPolarHBondContact O-CB 3.33Å; T416-L420 WeakPolarHBondContact O-CG 3.41Å; T416-L420 PolarHBondContact O-N 2.98Å
417E95.1Very high93.4Very high4 Ų423.4 Ų23.42%0.01912%0.116CC..Hα-helixtrans-63-45-178.7-68.175.4-173.200112.5F103 G414 A415 L420 A421 F446 L449 K505F103-E417 HydrophobicContact CE2-CG 4.41Å; G414-E417 VanDerWaalsContact C-OE2 3.23Å; G414-E417 WeakPolarHBondContact CA-OE2 3.38Å; G414-E417 PolarHBondContact N-OE2 3.24Å; G414-E417 PolarHBondContact O-N 3.42Å; A415-E417 VanDerWaalsContact C-N 3.32Å; A415-E417 PolarHBondContact O-N 2.84Å; E417-L420 PolarHBondContact O-N 3.28Å; E417-A421 WeakPolarHBondContact O-CB 3.17Å; E417-A421 PolarHBondContact O-N 3.45Å; E417-F446 HydrophobicContact CB-CB 4.36Å; E417-F446 HydrophobicContact CB-CD1 4.4Å; E417-F446 HydrophobicContact CG-CD1 4.4Å; E417-L449 HydrophobicContact CG-CB 4.14Å; E417-L449 HydrophobicContact CG-CD1 3.55Å; E417-K505 IonicContact OE1-NZ 2.93Å; E417-K505 PolarHBondContact OE1-NZ 3.32Å
418I94.9Very high93.6Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-69.9-39.1178.9-66.2-63.8000111.5G414 A415 L420 A421 K422 P450 L468 Y469 H472G414-I418 WeakPolarHBondContact O-CG1 3.25Å; G414-I418 PolarHBondContact O-N 3.41Å; A415-I418 PolarHBondContact O-N 3.21Å; I418-L420 VanDerWaalsContact C-N 3.34Å; I418-L420 PolarHBondContact O-N 3.05Å; I418-A421 WeakPolarHBondContact O-CB 3.29Å; I418-A421 PolarHBondContact O-N 3.08Å; I418-K422 PolarHBondContact O-N 3.24Å; I418-P450 HydrophobicContact CD1-CG 3.85Å; I418-P450 HydrophobicContact CG1-CG 4.14Å; I418-L468 HydrophobicContact CG1-CB 4.14Å; I418-L468 HydrophobicContact CG1-CD1 4.08Å; I418-L468 HydrophobicContact CG2-CB 4.31Å; I418-Y469 HydrophobicContact CD1-CE2 4.27Å; I418-Y469 HydrophobicContact CG2-CD1 4.07Å; I418-Y469 HydrophobicContact CG2-CE1 4.18Å; I418-Y469 HydrophobicContact CG2-CG 4.39Å; I418-H472 HydrophobicContact CG2-CB 4.27Å
419E94.6Very high93.6Very high7 Ų720.5 Ų20.53%0.03311%0.109CC..Hα-helixtrans-63-42.2176-173.859.6-160.800111.4A415 T416 K422 Q423 H472 K477A415-E419 WeakPolarHBondContact O-CB 3.4Å; A415-E419 PolarHBondContact O-N 3.07Å; A415-E419 VanDerWaalsContact O-N 3.07Å; T416-E419 PolarHBondContact O-N 3.2Å; E419-K422 PolarHBondContact O-N 3.45Å; E419-Q423 WeakPolarHBondContact O-CG 3.41Å; E419-Q423 PolarHBondContact O-N 3.29Å; E419-Q423 VanDerWaalsContact O-N 3.09Å; E419-Q423 PolarHBondContact OE1-NE2 3.09Å; E419-H472 IonicContact OE2-CE1 2.72Å; E419-H472 IonicContact OE2-CG 4Å; E419-H472 IonicContact OE2-ND1 3.78Å; E419-H472 PolarHBondContact OE2-ND1 3.35Å; E419-K477 HydrophobicContact CG-CD 4.47Å; E419-K477 HydrophobicContact CG-CG 4.32Å
420L95Very high93.6Very high2 Ų224.1 Ų24.11%0.0113%0.134CC..Hα-helixtrans-63.1-44.8173.4-69174.4000111.4T139 I142 L143 T416 E417 I418 K422 Q423 I424 F446 I509T139-L420 HydrophobicContact CG2-CD1 3.98Å; T139-L420 HydrophobicContact CG2-CD2 4.05Å; T139-L420 HydrophobicContact CG2-CG 4.46Å; I142-L420 HydrophobicContact CB-CD2 4.32Å; I142-L420 HydrophobicContact CG2-CD2 3.78Å; L143-L420 HydrophobicContact CD1-CD1 3.93Å; L143-L420 HydrophobicContact CD1-CD2 4.42Å; T416-L420 HydrophobicContact CG2-CD1 4.01Å; T416-L420 HydrophobicContact CG2-CG 4.36Å; T416-L420 WeakPolarHBondContact O-CB 3.33Å; T416-L420 WeakPolarHBondContact O-CG 3.41Å; T416-L420 PolarHBondContact O-N 2.98Å; E417-L420 PolarHBondContact O-N 3.28Å; I418-L420 VanDerWaalsContact C-N 3.34Å; I418-L420 PolarHBondContact O-N 3.05Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 3.2Å; L420-Q423 PolarHBondContact O-N 3.35Å; L420-I424 HydrophobicContact CB-CD1 4.2Å; L420-I424 WeakPolarHBondContact O-CB 3.18Å; L420-I424 VanDerWaalsContact O-CD1 3.28Å; L420-I424 WeakPolarHBondContact O-CD1 3.32Å; L420-I424 WeakPolarHBondContact O-CG1 3.5Å; L420-I424 PolarHBondContact O-N 3.38Å; L420-F446 HydrophobicContact CB-CD2 4.49Å; L420-F446 HydrophobicContact CB-CE2 4.41Å; L420-F446 HydrophobicContact CD1-CE1 4.18Å; L420-F446 HydrophobicContact CD1-CZ 4.29Å; L420-I509 HydrophobicContact CD1-CD1 3.96Å
421A95.3Very high93.4Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-56.7-46.9178.100000111.6E417 I418 T425 A443 F446 Y469E417-A421 WeakPolarHBondContact O-CB 3.17Å; E417-A421 PolarHBondContact O-N 3.45Å; I418-A421 WeakPolarHBondContact O-CB 3.29Å; I418-A421 PolarHBondContact O-N 3.08Å; A421-T425 WeakPolarHBondContact O-CB 3.18Å; A421-T425 PolarHBondContact O-N 3.14Å; A421-T425 PolarHBondContact O-OG1 3.06Å; A421-A443 WeakPolarHBondContact CB-O 3.16Å; A421-A443 WeakPolarHBondContact O-CB 3.46Å; A421-F446 HydrophobicContact CB-CB 4.08Å; A421-Y469 WeakPolarHBondContact CB-OH 3.42Å
422K94.4Very high93.1Very high54 Ų5431 Ų3124%0.23518%0.179CC..Hα-helixtrans-59.4-50.9176.9178.1-172.1170.4-163.90111.8I418 E419 L420 T425 S426 Y469 H472I418-K422 PolarHBondContact O-N 3.24Å; E419-K422 PolarHBondContact O-N 3.45Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 3.2Å; K422-T425 PolarHBondContact O-N 3.28Å; K422-S426 PolarHBondContact O-N 2.97Å; K422-S426 VanDerWaalsContact O-N 3.12Å; K422-Y469 HydrophobicContact CB-CE1 4.44Å; K422-H472 PolarHBondContact NZ-O 3.19Å
423Q94.3Very high93Very high42 Ų4233.4 Ų33.420%0.19620%0.204CC..Hα-helixtrans-68.6-40-176.1-67.3-169.234.600112.3I142 E419 L420 T425 S426 F427I142-Q423 HydrophobicContact CD1-CB 4.02Å; I142-Q423 HydrophobicContact CG2-CB 4.38Å; E419-Q423 WeakPolarHBondContact O-CG 3.41Å; E419-Q423 PolarHBondContact O-N 3.29Å; E419-Q423 VanDerWaalsContact O-N 3.09Å; E419-Q423 PolarHBondContact OE1-NE2 3.09Å; L420-Q423 PolarHBondContact O-N 3.35Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.14Å; Q423-S426 PolarHBondContact O-N 3.15Å; Q423-S426 PolarHBondContact O-OG 3.03Å; Q423-F427 PolarHBondContact O-N 3.17Å
424I95.3Very high92.9Very high0 Ų037 Ų370%022%0.22CC..Hα-helixtrans-67.8-35.5177.1-61.5160.1000110.9A135 T139 L420 S426 F427 G428 I439 F442 A443 F446A135-I424 HydrophobicContact CB-CG2 4.32Å; T139-I424 HydrophobicContact CG2-CD1 4.01Å; T139-I424 WeakPolarHBondContact OG1-CD1 3.41Å; L420-I424 HydrophobicContact CB-CD1 4.2Å; L420-I424 WeakPolarHBondContact O-CB 3.18Å; L420-I424 VanDerWaalsContact O-CD1 3.28Å; L420-I424 WeakPolarHBondContact O-CD1 3.32Å; L420-I424 WeakPolarHBondContact O-CG1 3.5Å; L420-I424 PolarHBondContact O-N 3.38Å; I424-S426 VanDerWaalsContact C-N 3.34Å; I424-S426 PolarHBondContact O-N 2.87Å; I424-F427 WeakPolarHBondContact O-CB 3.47Å; I424-F427 PolarHBondContact O-N 3.19Å; I424-G428 PolarHBondContact O-N 2.95Å; I424-I439 HydrophobicContact CG2-CG2 3.82Å; I424-F442 HydrophobicContact CD1-CD1 4.23Å; I424-F442 HydrophobicContact CD1-CE1 4.24Å; I424-F442 HydrophobicContact CG2-CD1 4.36Å; I424-A443 HydrophobicContact CB-CB 3.96Å; I424-A443 HydrophobicContact CG2-CB 3.93Å; I424-F446 HydrophobicContact CD1-CD2 4.07Å; I424-F446 HydrophobicContact CD1-CE2 3.46Å; I424-F446 VanDerWaalsContact CD1-CE2 3.46Å; I424-F446 HydrophobicContact CD1-CZ 4.37Å
425T95.4Very high92.8Very high44 Ų4439 Ų3927%0.2723%0.23SC..Hα-helixtrans-60.8-44.8173.8-59.40000111A421 K422 Q423 F427 G428 E429 A443A421-T425 WeakPolarHBondContact O-CB 3.18Å; A421-T425 PolarHBondContact O-N 3.14Å; A421-T425 PolarHBondContact O-OG1 3.06Å; K422-T425 PolarHBondContact O-N 3.28Å; Q423-T425 VanDerWaalsContact C-N 3.33Å; Q423-T425 PolarHBondContact O-N 3.14Å; T425-F427 VanDerWaalsContact C-N 3.31Å; T425-F427 PolarHBondContact O-N 2.9Å; T425-G428 PolarHBondContact O-N 2.87Å; T425-G428 VanDerWaalsContact O-N 3.15Å; T425-E429 PolarHBondContact O-N 2.85Å; T425-E429 VanDerWaalsContact O-N 3.13Å; T425-A443 VanDerWaalsContact OG1-CB 3.25Å; T425-A443 WeakPolarHBondContact OG1-CB 3.33Å
426S93.4Very high92.8Very high69 Ų6941.4 Ų41.448%0.48324%0.241SC..Hα-helixtrans-63.8-36.1175.973.70000112.7K422 Q423 I424 E429 S430K422-S426 PolarHBondContact O-N 2.97Å; K422-S426 VanDerWaalsContact O-N 3.12Å; Q423-S426 PolarHBondContact O-N 3.15Å; Q423-S426 PolarHBondContact O-OG 3.03Å; I424-S426 VanDerWaalsContact C-N 3.34Å; I424-S426 PolarHBondContact O-N 2.87Å; S426-E429 PolarHBondContact O-N 2.69Å; S426-S430 PolarHBondContact O-N 3.22Å
427F93.8Very high92.8Very high52 Ų5246.8 Ų46.823%0.22826%0.262CS..Hα-helixtrans-64.7-42.1172.2176.9-110.8000111.7K138 Q423 I424 T425 E429 S430 C431 I439K138-F427 HydrophobicContact CB-CD1 4.14Å; K138-F427 HydrophobicContact CB-CE1 4.03Å; K138-F427 HydrophobicContact CB-CZ 4.42Å; K138-F427 HydrophobicContact CD-CD2 4.02Å; K138-F427 HydrophobicContact CD-CE2 3.96Å; K138-F427 HydrophobicContact CD-CG 4.33Å; K138-F427 HydrophobicContact CD-CZ 4.21Å; K138-F427 HydrophobicContact CG-CB 4.46Å; K138-F427 HydrophobicContact CG-CD1 3.88Å; K138-F427 HydrophobicContact CG-CD2 4.09Å; K138-F427 HydrophobicContact CG-CE1 4.09Å; K138-F427 HydrophobicContact CG-CE2 4.29Å; K138-F427 HydrophobicContact CG-CG 3.87Å; K138-F427 HydrophobicContact CG-CZ 4.28Å; Q423-F427 PolarHBondContact O-N 3.17Å; I424-F427 WeakPolarHBondContact O-CB 3.47Å; I424-F427 PolarHBondContact O-N 3.19Å; T425-F427 VanDerWaalsContact C-N 3.31Å; T425-F427 PolarHBondContact O-N 2.9Å; F427-E429 PolarHBondContact O-N 2.92Å; F427-S430 WeakPolarHBondContact O-CB 3.43Å; F427-S430 PolarHBondContact O-N 3.03Å; F427-S430 PolarHBondContact O-OG 3.01Å; F427-C431 WeakPolarHBondContact CZ-SG 3.47Å; F427-C431 PolarHBondContact O-N 3.22Å; F427-C431 VanDerWaalsContact O-N 3.16Å; F427-I439 HydrophobicContact CD1-CD1 4.5Å; F427-I439 HydrophobicContact CD1-CG2 3.99Å; F427-I439 HydrophobicContact CE1-CD1 4.15Å
428G92.6Very high92.8Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-62.3-22.6175.100000114.2I424 T425 Q436I424-G428 PolarHBondContact O-N 2.95Å; T425-G428 PolarHBondContact O-N 2.87Å; T425-G428 VanDerWaalsContact O-N 3.15Å; G428-Q436 WeakPolarHBondContact O-CB 3.34Å
429E92.7Very high92.8Very high130 Ų13046.6 Ų46.661%0.60726%0.261SS*.Hα-helixtrans-80.6-27.7171.4-69.2178.916800113T425 S426 F427 K440T425-E429 PolarHBondContact O-N 2.85Å; T425-E429 VanDerWaalsContact O-N 3.13Å; S426-E429 PolarHBondContact O-N 2.69Å; F427-E429 PolarHBondContact O-N 2.92Å; E429-K440 IonicContact OE1-NZ 2.63Å
430S92.3Very high92.9Very high81 Ų8149.4 Ų49.457%0.56627%0.273SS*.Hα-helixtrans-78-26.7177.975.10000113.3S426 F427 P432S426-S430 PolarHBondContact O-N 3.22Å; F427-S430 WeakPolarHBondContact O-CB 3.43Å; F427-S430 PolarHBondContact O-N 3.03Å; F427-S430 PolarHBondContact O-OG 3.01Å; S430-P432 WeakPolarHBondContact O-CD 3.31Å
431C88.9Confident92.9Very high26 Ų2651 Ų5118%0.17628%0.28CS..SBendtrans-83.2119.2-178.3-70.40000111.7F427 I439F427-C431 WeakPolarHBondContact CZ-SG 3.47Å; F427-C431 PolarHBondContact O-N 3.22Å; F427-C431 VanDerWaalsContact O-N 3.16Å; C431-I439 HydrophobicContact CB-CD1 4.18Å
432P88Confident93Very high119 Ų11951 Ų5177%0.77328%0.28SS*.  trans-75.9149.3172.532-34.3000111.3S430S430-P432 WeakPolarHBondContact O-CD 3.31Å
433G88.7Confident93.1Very high51 Ų5148.5 Ų48.553%0.52627%0.269SS..SBendtrans113.3-172.4170.900000114.4E435G433-E435 VanDerWaalsContact C-N 3.33Å
434L88.4Confident93.1Very high92 Ų9249.7 Ų49.748%0.48228%0.275SS..THydrogen-bonded Turntrans-74.8-24.3-177.4-66.4175.1000112.9L123 E127 Q436 Y437L123-L434 HydrophobicContact CD2-CB 3.99Å; E127-L434 WeakPolarHBondContact OE1-CD1 3.36Å; L434-Q436 PolarHBondContact O-N 3.04Å; L434-Y437 HydrophobicContact CD2-CE2 4.32Å; L434-Y437 WeakPolarHBondContact O-CD2 3.39Å; L434-Y437 PolarHBondContact O-N 3.11Å
435E88.4Confident93.2Very high46 Ų4649.8 Ų49.822%0.21528%0.275CS..Hα-helixtrans-63.3-23.4177.4-60.2173.3168.700112.8K134 G433 Y437 A438 I439K134-E435 VanDerWaalsContact CD-OE2 3.23Å; K134-E435 WeakPolarHBondContact CD-OE2 3.46Å; K134-E435 WeakPolarHBondContact CE-OE2 3.49Å; K134-E435 IonicContact NZ-OE1 3.68Å; K134-E435 PolarHBondContact NZ-OE1 2.99Å; K134-E435 IonicContact NZ-OE2 2.74Å; K134-E435 PolarHBondContact NZ-OE2 2.85Å; G433-E435 VanDerWaalsContact C-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.3Å; E435-A438 PolarHBondContact O-N 2.92Å; E435-A438 VanDerWaalsContact O-N 3.07Å; E435-I439 WeakPolarHBondContact O-CG1 3.14Å; E435-I439 PolarHBondContact O-N 3.48Å
436Q93.5Very high93.2Very high50 Ų5047.7 Ų47.723%0.23426%0.262CS..Hα-helixtrans-53.1-38.5176.3122.3179.7-8.500111.1G428 L434 I439 K440G428-Q436 WeakPolarHBondContact O-CB 3.34Å; L434-Q436 PolarHBondContact O-N 3.04Å; Q436-I439 PolarHBondContact O-N 3.36Å; Q436-K440 WeakPolarHBondContact O-CG 3.27Å; Q436-K440 PolarHBondContact O-N 3.31Å
437Y94Very high93.3Very high114 Ų11445.8 Ų45.845%0.44725%0.246SC..Hα-helixtrans-66.8-42.6-178.9-65.5-74.6000111.1L434 E435 K440 K441L434-Y437 HydrophobicContact CD2-CE2 4.32Å; L434-Y437 WeakPolarHBondContact O-CD2 3.39Å; L434-Y437 PolarHBondContact O-N 3.11Å; E435-Y437 PolarHBondContact O-N 3.3Å; Y437-K440 PolarHBondContact O-N 3.07Å; Y437-K441 WeakPolarHBondContact O-CG 3.42Å; Y437-K441 PolarHBondContact O-N 3.22Å
438A94.9Very high93.4Very high0 Ų044 Ų440%024%0.241CC..Hα-helixtrans-66.3-40.5176.200000111.8L118 Y132 E435 K440 K441 F442L118-A438 HydrophobicContact CD1-CB 3.97Å; Y132-A438 HydrophobicContact CD1-CB 4.24Å; Y132-A438 HydrophobicContact CE1-CB 4.35Å; Y132-A438 WeakPolarHBondContact CE1-O 3.44Å; E435-A438 PolarHBondContact O-N 2.92Å; E435-A438 VanDerWaalsContact O-N 3.07Å; A438-K440 PolarHBondContact O-N 3.22Å; A438-K441 PolarHBondContact O-N 3.1Å; A438-F442 WeakPolarHBondContact O-CB 3.43Å; A438-F442 PolarHBondContact O-N 3.07Å
439I95.7Very high93.5Very high0 Ų044.1 Ų44.10%024%0.241CC..Hα-helixtrans-63.4-42.7176.4-63.8165.4000111.1A135 I424 F427 C431 E435 Q436 F442 A443A135-I439 HydrophobicContact CB-CB 4.49Å; A135-I439 HydrophobicContact CB-CG1 4.27Å; A135-I439 HydrophobicContact CB-CG2 4.25Å; I424-I439 HydrophobicContact CG2-CG2 3.82Å; F427-I439 HydrophobicContact CD1-CD1 4.5Å; F427-I439 HydrophobicContact CD1-CG2 3.99Å; F427-I439 HydrophobicContact CE1-CD1 4.15Å; C431-I439 HydrophobicContact CB-CD1 4.18Å; E435-I439 WeakPolarHBondContact O-CG1 3.14Å; E435-I439 PolarHBondContact O-N 3.48Å; Q436-I439 PolarHBondContact O-N 3.36Å; I439-F442 WeakPolarHBondContact O-CB 3.49Å; I439-F442 PolarHBondContact O-N 2.92Å; I439-A443 PolarHBondContact O-N 3.46Å; I439-A443 VanDerWaalsContact O-N 3.1Å
440K95.2Very high93.6Very high66 Ų6637.9 Ų37.929%0.28721%0.212SC..Hα-helixtrans-65.5-41.4176.9-72.8-177178.3-164.30112.2E429 Q436 Y437 A438 F442 A443 E444E429-K440 IonicContact OE1-NZ 2.63Å; Q436-K440 WeakPolarHBondContact O-CG 3.27Å; Q436-K440 PolarHBondContact O-N 3.31Å; Y437-K440 PolarHBondContact O-N 3.07Å; A438-K440 PolarHBondContact O-N 3.22Å; K440-F442 VanDerWaalsContact C-N 3.31Å; K440-F442 PolarHBondContact O-N 2.85Å; K440-A443 WeakPolarHBondContact O-CB 3.31Å; K440-A443 PolarHBondContact O-N 3.34Å; K440-E444 PolarHBondContact O-N 3.33Å
441K96.3Very high93.7Very high36 Ų3637.4 Ų37.416%0.15720%0.198CC..Hα-helixtrans-67.1-31.6174.1-73.7-53.8-169.8168.10113L114 E117 L118 Y437 A438 A443 E444 A445L114-K441 HydrophobicContact CB-CB 4.16Å; L114-K441 HydrophobicContact CB-CD 4.36Å; L114-K441 WeakPolarHBondContact CD1-O 3.49Å; L114-K441 HydrophobicContact CD2-CD 4.26Å; E117-K441 WeakPolarHBondContact OE2-CE 3.25Å; E117-K441 IonicContact OE2-NZ 3.77Å; E117-K441 PolarHBondContact OE2-NZ 3.48Å; L118-K441 HydrophobicContact CD1-CB 4.07Å; L118-K441 HydrophobicContact CD1-CG 4.16Å; L118-K441 HydrophobicContact CD2-CB 4.29Å; L118-K441 HydrophobicContact CD2-CG 3.5Å; L118-K441 HydrophobicContact CG-CB 4.36Å; L118-K441 HydrophobicContact CG-CG 3.91Å; Y437-K441 WeakPolarHBondContact O-CG 3.42Å; Y437-K441 PolarHBondContact O-N 3.22Å; A438-K441 PolarHBondContact O-N 3.1Å; K441-A443 VanDerWaalsContact C-N 3.33Å; K441-E444 WeakPolarHBondContact CD-OE2 3.31Å; K441-E444 WeakPolarHBondContact CE-OE2 3.3Å; K441-E444 IonicContact NZ-OE1 3.57Å; K441-E444 IonicContact NZ-OE2 2.65Å; K441-E444 PolarHBondContact NZ-OE2 3.38Å; K441-E444 PolarHBondContact O-N 3.37Å; K441-A445 PolarHBondContact O-N 3.09Å
442F96.6Very high93.9Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-62.2-42.2171.2-171.3-86.2000111.9F107 L111 Y132 A135 C136 T139 I424 A438 I439 K440 A445 F446 T513F107-F442 HydrophobicContact CE1-CE2 4.47Å; F107-F442 HydrophobicContact CE1-CZ 4.09Å; F107-F442 HydrophobicContact CZ-CE1 4.1Å; F107-F442 HydrophobicContact CZ-CE2 4.19Å; F107-F442 AromaticContact CZ-CZ 3.77Å; F107-F442 HydrophobicContact CZ-CZ 3.77Å; L111-F442 HydrophobicContact CD1-CE2 4.14Å; L111-F442 HydrophobicContact CD2-CD2 3.37Å; L111-F442 HydrophobicContact CD2-CE2 3.67Å; L111-F442 HydrophobicContact CD2-CG 4.11Å; Y132-F442 HydrophobicContact CD1-CB 4.01Å; Y132-F442 AromaticContact CD1-CD2 3.83Å; Y132-F442 HydrophobicContact CD1-CD2 3.83Å; Y132-F442 HydrophobicContact CD1-CG 4.42Å; Y132-F442 HydrophobicContact CE1-CB 4.08Å; Y132-F442 HydrophobicContact CE1-CD2 4.32Å; Y132-F442 AromaticContact CG-CD2 3.98Å; Y132-F442 HydrophobicContact CG-CD2 3.98Å; A135-F442 HydrophobicContact CB-CB 3.78Å; A135-F442 HydrophobicContact CB-CD1 3.54Å; A135-F442 HydrophobicContact CB-CD2 4.04Å; A135-F442 HydrophobicContact CB-CE1 4.09Å; A135-F442 HydrophobicContact CB-CG 3.5Å; C136-F442 HydrophobicContact CB-CZ 4.24Å; T139-F442 WeakPolarHBondContact OG1-CE1 3.44Å; I424-F442 HydrophobicContact CD1-CD1 4.23Å; I424-F442 HydrophobicContact CD1-CE1 4.24Å; I424-F442 HydrophobicContact CG2-CD1 4.36Å; A438-F442 WeakPolarHBondContact O-CB 3.43Å; A438-F442 PolarHBondContact O-N 3.07Å; I439-F442 WeakPolarHBondContact O-CB 3.49Å; I439-F442 PolarHBondContact O-N 2.92Å; K440-F442 VanDerWaalsContact C-N 3.31Å; K440-F442 PolarHBondContact O-N 2.85Å; F442-A445 WeakPolarHBondContact O-CB 3.42Å; F442-A445 PolarHBondContact O-N 3.18Å; F442-F446 AromaticContact CD1-CE2 3.93Å; F442-F446 HydrophobicContact CD1-CE2 3.93Å; F442-F446 AromaticContact CE1-CE2 3.53Å; F442-F446 HydrophobicContact CE1-CE2 3.53Å; F442-F446 AromaticContact CE1-CZ 3.95Å; F442-F446 HydrophobicContact CE1-CZ 3.95Å; F442-F446 HydrophobicContact CZ-CE2 4.46Å; F442-T513 HydrophobicContact CE2-CG2 3.33Å; F442-T513 HydrophobicContact CZ-CG2 3.44Å; F442-T513 VanDerWaalsContact CZ-CG2 3.44Å
443A95.9Very high94.1Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-63.3-44.8174.900000112.1A421 I424 T425 I439 K440 K441 A445 F446A421-A443 WeakPolarHBondContact CB-O 3.16Å; A421-A443 WeakPolarHBondContact O-CB 3.46Å; I424-A443 HydrophobicContact CB-CB 3.96Å; I424-A443 HydrophobicContact CG2-CB 3.93Å; T425-A443 VanDerWaalsContact OG1-CB 3.25Å; T425-A443 WeakPolarHBondContact OG1-CB 3.33Å; I439-A443 PolarHBondContact O-N 3.46Å; I439-A443 VanDerWaalsContact O-N 3.1Å; K440-A443 WeakPolarHBondContact O-CB 3.31Å; K440-A443 PolarHBondContact O-N 3.34Å; K441-A443 VanDerWaalsContact C-N 3.33Å; A443-A445 PolarHBondContact O-N 2.97Å; A443-F446 WeakPolarHBondContact O-CB 3.48Å; A443-F446 PolarHBondContact O-N 2.66Å; A443-F446 VanDerWaalsContact O-N 3.13Å
444E95.9Very high94.3Very high68 Ų6828.7 Ų28.732%0.31813%0.131SC..Hα-helixtrans-60.5-30.6176.6-174.5-179.7175.200112.2L114 K440 K441 F446 E447L114-E444 HydrophobicContact CD1-CB 3.89Å; L114-E444 HydrophobicContact CD1-CG 4Å; K440-E444 PolarHBondContact O-N 3.33Å; K441-E444 WeakPolarHBondContact CD-OE2 3.31Å; K441-E444 WeakPolarHBondContact CE-OE2 3.3Å; K441-E444 IonicContact NZ-OE1 3.57Å; K441-E444 IonicContact NZ-OE2 2.65Å; K441-E444 PolarHBondContact NZ-OE2 3.38Å; K441-E444 PolarHBondContact O-N 3.37Å; E444-F446 PolarHBondContact O-N 3.04Å; E444-E447 VanDerWaalsContact O-CB 3.31Å; E444-E447 WeakPolarHBondContact O-CB 3.26Å; E444-E447 PolarHBondContact O-N 3.06Å
445A96.7Very high94.5Very high1 Ų129.1 Ų29.11%0.00813%0.13CC..Hα-helixtrans-61-28.8176.800000113.2F107 A110 L111 L114 K441 F442 A443 E447 A448F107-A445 HydrophobicContact CD2-CB 4.28Å; F107-A445 HydrophobicContact CE2-CB 3.79Å; A110-A445 HydrophobicContact CB-CB 4.18Å; L111-A445 HydrophobicContact CD2-CB 3.66Å; L111-A445 HydrophobicContact CG-CB 4.1Å; L114-A445 HydrophobicContact CD1-CB 3.89Å; K441-A445 PolarHBondContact O-N 3.09Å; F442-A445 WeakPolarHBondContact O-CB 3.42Å; F442-A445 PolarHBondContact O-N 3.18Å; A443-A445 PolarHBondContact O-N 2.97Å; A445-E447 PolarHBondContact O-N 3.38Å; A445-A448 WeakPolarHBondContact O-CB 3.16Å; A445-A448 PolarHBondContact O-N 3.2Å
446F96.1Very high94.6Very high0 Ų028.1 Ų28.10%013%0.127CC..THydrogen-bonded Turntrans-65.9-27.7176.4-78.1-70.3000112.5F107 T139 E417 L420 A421 I424 F442 A443 E444 A448 L449 P450 I509F107-F446 HydrophobicContact CD2-CD1 4.26Å; F107-F446 HydrophobicContact CD2-CE1 4.36Å; F107-F446 HydrophobicContact CE1-CE1 4.28Å; F107-F446 HydrophobicContact CE1-CZ 4.22Å; F107-F446 AromaticContact CE2-CD1 3.68Å; F107-F446 HydrophobicContact CE2-CD1 3.68Å; F107-F446 HydrophobicContact CE2-CD2 4.13Å; F107-F446 AromaticContact CE2-CE1 3.66Å; F107-F446 HydrophobicContact CE2-CE1 3.66Å; F107-F446 HydrophobicContact CE2-CE2 4.11Å; F107-F446 AromaticContact CE2-CG 3.91Å; F107-F446 HydrophobicContact CE2-CG 3.91Å; F107-F446 AromaticContact CE2-CZ 3.88Å; F107-F446 HydrophobicContact CE2-CZ 3.88Å; F107-F446 HydrophobicContact CZ-CD1 4.13Å; F107-F446 HydrophobicContact CZ-CD2 4.34Å; F107-F446 AromaticContact CZ-CE1 3.63Å; F107-F446 HydrophobicContact CZ-CE1 3.63Å; F107-F446 AromaticContact CZ-CE2 3.86Å; F107-F446 HydrophobicContact CZ-CE2 3.86Å; F107-F446 HydrophobicContact CZ-CG 4.45Å; F107-F446 AromaticContact CZ-CZ 3.46Å; F107-F446 HydrophobicContact CZ-CZ 3.46Å; F107-F446 VanDerWaalsContact CZ-CZ 3.46Å; T139-F446 HydrophobicContact CG2-CE2 4.34Å; T139-F446 HydrophobicContact CG2-CZ 3.87Å; E417-F446 HydrophobicContact CB-CB 4.36Å; E417-F446 HydrophobicContact CB-CD1 4.4Å; E417-F446 HydrophobicContact CG-CD1 4.4Å; L420-F446 HydrophobicContact CB-CD2 4.49Å; L420-F446 HydrophobicContact CB-CE2 4.41Å; L420-F446 HydrophobicContact CD1-CE1 4.18Å; L420-F446 HydrophobicContact CD1-CZ 4.29Å; A421-F446 HydrophobicContact CB-CB 4.08Å; I424-F446 HydrophobicContact CD1-CD2 4.07Å; I424-F446 HydrophobicContact CD1-CE2 3.46Å; I424-F446 VanDerWaalsContact CD1-CE2 3.46Å; I424-F446 HydrophobicContact CD1-CZ 4.37Å; F442-F446 AromaticContact CD1-CE2 3.93Å; F442-F446 HydrophobicContact CD1-CE2 3.93Å; F442-F446 AromaticContact CE1-CE2 3.53Å; F442-F446 HydrophobicContact CE1-CE2 3.53Å; F442-F446 AromaticContact CE1-CZ 3.95Å; F442-F446 HydrophobicContact CE1-CZ 3.95Å; F442-F446 HydrophobicContact CZ-CE2 4.46Å; A443-F446 WeakPolarHBondContact O-CB 3.48Å; A443-F446 PolarHBondContact O-N 2.66Å; A443-F446 VanDerWaalsContact O-N 3.13Å; E444-F446 PolarHBondContact O-N 3.04Å; F446-A448 PolarHBondContact O-N 3.27Å; F446-L449 PolarHBondContact O-N 3.13Å; F446-P450 WeakPolarHBondContact O-CD 3.28Å; F446-I509 HydrophobicContact CE1-CD1 4.06Å; F446-I509 HydrophobicContact CE1-CG1 4.11Å; F446-I509 HydrophobicContact CZ-CD1 4.21Å; F446-I509 HydrophobicContact CZ-CG1 4.36Å; F446-I509 HydrophobicContact CZ-CG2 4.43Å
447E95.1Very high94.4Very high30 Ų3027.3 Ų27.314%0.1413%0.126CC..THydrogen-bonded Turntrans-64.6-22.4178.3-59.7-176.7-17500112.7E444 A445 L449 P450 R451 I465 Y469E444-E447 VanDerWaalsContact O-CB 3.31Å; E444-E447 WeakPolarHBondContact O-CB 3.26Å; E444-E447 PolarHBondContact O-N 3.06Å; A445-E447 PolarHBondContact O-N 3.38Å; E447-L449 PolarHBondContact O-N 3.21Å; E447-P450 VanDerWaalsContact O-CD 3.31Å; E447-P450 WeakPolarHBondContact O-CD 3.26Å; E447-P450 WeakPolarHBondContact O-CG 3.43Å; E447-R451 WeakPolarHBondContact O-CB 3.35Å; E447-R451 PolarHBondContact O-N 3.3Å; E447-R451 IonicContact OE2-NH2 2.66Å; E447-R451 PolarHBondContact OE2-NH2 3.48Å; E447-R451 VanDerWaalsContact OE2-NH2 3.11Å; E447-I465 HydrophobicContact CB-CD1 4.17Å; E447-Y469 HydrophobicContact CG-CE2 4.26Å; E447-Y469 VanDerWaalsContact OE1-CE2 3.23Å; E447-Y469 WeakPolarHBondContact OE1-CE2 3.43Å; E447-Y469 PolarHBondContact OE1-OH 3.13Å
448A95.1Very high94.2Very high15 Ų1525.3 Ų25.312%0.12414%0.141CC..Hα-helixtrans-61.2-27.7179.700000112.7V106 A110 A445 F446 A452V106-A448 HydrophobicContact CG1-CB 4.5Å; A110-A448 HydrophobicContact CB-CB 3.61Å; A445-A448 WeakPolarHBondContact O-CB 3.16Å; A445-A448 PolarHBondContact O-N 3.2Å; F446-A448 PolarHBondContact O-N 3.27Å; A448-A452 VanDerWaalsContact O-CB 3.3Å; A448-A452 WeakPolarHBondContact O-CB 3.1Å; A448-A452 PolarHBondContact O-N 3.23Å
449L94.6Very high94.1Very high1 Ų126.5 Ų26.51%0.00515%0.148CC..Hα-helixtrans-75-56.9-178.6-64.4163.1000112.7Y47 F103 V106 E417 F446 E447 R451 A452 L453Y47-L449 HydrophobicContact CE1-CB 4.39Å; Y47-L449 HydrophobicContact CE1-CD2 4.13Å; F103-L449 HydrophobicContact CD2-CD1 3.54Å; F103-L449 HydrophobicContact CD2-CD2 3.87Å; F103-L449 HydrophobicContact CD2-CG 4.36Å; F103-L449 HydrophobicContact CE2-CD1 3.18Å; F103-L449 HydrophobicContact CE2-CD2 4.38Å; F103-L449 HydrophobicContact CE2-CG 4.4Å; F103-L449 HydrophobicContact CG-CD2 4.47Å; F103-L449 HydrophobicContact CZ-CD1 3.96Å; V106-L449 HydrophobicContact CB-CD2 3.91Å; V106-L449 HydrophobicContact CG1-CD2 3.74Å; V106-L449 HydrophobicContact CG1-CG 4.47Å; E417-L449 HydrophobicContact CG-CB 4.14Å; E417-L449 HydrophobicContact CG-CD1 3.55Å; F446-L449 PolarHBondContact O-N 3.13Å; E447-L449 PolarHBondContact O-N 3.21Å; L449-R451 PolarHBondContact O-N 2.97Å; L449-A452 PolarHBondContact O-N 3.28Å; L449-A452 VanDerWaalsContact O-N 3.14Å; L449-L453 PolarHBondContact O-N 3.34Å; L449-L453 VanDerWaalsContact O-N 3.08Å
450P94.4Very high93.9Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-62.8-30.7172.824.2-32000111.8I418 F446 E447 L453 A454 L468I418-P450 HydrophobicContact CD1-CG 3.85Å; I418-P450 HydrophobicContact CG1-CG 4.14Å; F446-P450 WeakPolarHBondContact O-CD 3.28Å; E447-P450 VanDerWaalsContact O-CD 3.31Å; E447-P450 WeakPolarHBondContact O-CD 3.26Å; E447-P450 WeakPolarHBondContact O-CG 3.43Å; P450-L453 PolarHBondContact O-N 3.02Å; P450-A454 WeakPolarHBondContact O-CB 3.33Å; P450-A454 PolarHBondContact O-N 3.08Å; P450-L468 HydrophobicContact CB-CD1 4.19Å
451R94.4Very high93.6Very high71 Ų7131.2 Ų31.227%0.26817%0.17SC..Hα-helixtrans-60.3-46.7171.6-165.5172.2-62.6160.55.3111.7E447 L449 L453 A454 E455 I465E447-R451 WeakPolarHBondContact O-CB 3.35Å; E447-R451 PolarHBondContact O-N 3.3Å; E447-R451 IonicContact OE2-NH2 2.66Å; E447-R451 PolarHBondContact OE2-NH2 3.48Å; E447-R451 VanDerWaalsContact OE2-NH2 3.11Å; L449-R451 PolarHBondContact O-N 2.97Å; R451-L453 VanDerWaalsContact C-N 3.35Å; R451-L453 PolarHBondContact O-N 2.78Å; R451-A454 PolarHBondContact O-N 2.94Å; R451-E455 HydrophobicContact CG-CG 4.46Å; R451-E455 WeakPolarHBondContact O-CB 3.4Å; R451-E455 WeakPolarHBondContact O-CG 3.46Å; R451-E455 PolarHBondContact O-N 3Å; R451-I465 HydrophobicContact CB-CD1 4.07Å; R451-I465 HydrophobicContact CG-CD1 4.36Å
452A93.8Very high93.4Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-62.5-40.6177.800000112R44 Y47 A448 L449 A454 N456R44-A452 HydrophobicContact CG-CB 3.69Å; Y47-A452 HydrophobicContact CD1-CB 3.9Å; A448-A452 VanDerWaalsContact O-CB 3.3Å; A448-A452 WeakPolarHBondContact O-CB 3.1Å; A448-A452 PolarHBondContact O-N 3.23Å; L449-A452 PolarHBondContact O-N 3.28Å; L449-A452 VanDerWaalsContact O-N 3.14Å; A452-A454 PolarHBondContact O-N 3.16Å; A452-N456 WeakPolarHBondContact O-CB 3.41Å; A452-N456 PolarHBondContact O-N 3.14Å; A452-N456 PolarHBondContact O-ND2 3.5Å
453L92.4Very high93.2Very high13 Ų1339.8 Ų39.87%0.06822%0.215CC..Hα-helixtrans-61.3-43.3174.9-67.1174.9000112.3Y47 L449 P450 R451 S457 F481Y47-L453 HydrophobicContact CD1-CD2 3.72Å; Y47-L453 HydrophobicContact CD1-CG 3.99Å; Y47-L453 HydrophobicContact CE1-CD1 4.28Å; Y47-L453 HydrophobicContact CE1-CD2 3.66Å; Y47-L453 HydrophobicContact CE1-CG 3.68Å; L449-L453 PolarHBondContact O-N 3.34Å; L449-L453 VanDerWaalsContact O-N 3.08Å; P450-L453 PolarHBondContact O-N 3.02Å; R451-L453 VanDerWaalsContact C-N 3.35Å; R451-L453 PolarHBondContact O-N 2.78Å; L453-S457 WeakPolarHBondContact O-CB 3.25Å; L453-S457 PolarHBondContact O-N 2.93Å; L453-S457 PolarHBondContact O-OG 3.29Å; L453-F481 HydrophobicContact CB-CD1 3.94Å; L453-F481 HydrophobicContact CB-CE1 4.31Å
454A92.9Very high93Very high0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-64.7-49.4178.200000112P450 R451 A452 N456 S457 G458 V459 L464P450-A454 WeakPolarHBondContact O-CB 3.33Å; P450-A454 PolarHBondContact O-N 3.08Å; R451-A454 PolarHBondContact O-N 2.94Å; A452-A454 PolarHBondContact O-N 3.16Å; A454-N456 VanDerWaalsContact C-N 3.34Å; A454-N456 PolarHBondContact O-N 2.81Å; A454-S457 CarbonylContact O-C 3.53Å; A454-S457 WeakPolarHBondContact O-CA 3.43Å; A454-S457 PolarHBondContact O-N 3.48Å; A454-G458 PolarHBondContact O-N 3.14Å; A454-G458 VanDerWaalsContact O-N 3.13Å; A454-V459 CarbonylContact C-O 3.38Å; A454-V459 HydrophobicContact CB-CB 4.31Å; A454-V459 PolarHBondContact O-N 2.96Å; A454-L464 HydrophobicContact CB-CB 4.47Å; A454-L464 HydrophobicContact CB-CD2 3.6Å
455E91.8Very high92.9Very high100 Ų10037 Ų3747%0.46720%0.202SC..Hα-helixtrans-61.3-42.2-179.3-74.2176-179.600111.4R451 S457 G458R451-E455 HydrophobicContact CG-CG 4.46Å; R451-E455 WeakPolarHBondContact O-CB 3.4Å; R451-E455 WeakPolarHBondContact O-CG 3.46Å; R451-E455 PolarHBondContact O-N 3Å; E455-S457 PolarHBondContact O-N 3.48Å; E455-G458 PolarHBondContact O-N 3.04Å; E455-G458 VanDerWaalsContact O-N 3.12Å
456N91.9Very high92.7Very high26 Ų2640.9 Ų40.914%0.13923%0.229CC..Hα-helixtrans-67.3-24.2176.7-67.4-15.1000112.6R44 Y47 A452 A454R44-N456 PolarHBondContact O-ND2 3.37Å; Y47-N456 PolarHBondContact O-ND2 3.44Å; A452-N456 WeakPolarHBondContact O-CB 3.41Å; A452-N456 PolarHBondContact O-N 3.14Å; A452-N456 PolarHBondContact O-ND2 3.5Å; A454-N456 VanDerWaalsContact C-N 3.34Å; A454-N456 PolarHBondContact O-N 2.81Å
457S89.5Confident92.6Very high32 Ų3244.5 Ų44.522%0.22425%0.245CC..THydrogen-bonded Turntrans-92.14.3175.4-52.20000113.4N50 L453 A454 E455 V459N50-S457 PolarHBondContact ND2-OG 2.85Å; L453-S457 WeakPolarHBondContact O-CB 3.25Å; L453-S457 PolarHBondContact O-N 2.93Å; L453-S457 PolarHBondContact O-OG 3.29Å; A454-S457 CarbonylContact O-C 3.53Å; A454-S457 WeakPolarHBondContact O-CA 3.43Å; A454-S457 PolarHBondContact O-N 3.48Å; E455-S457 PolarHBondContact O-N 3.48Å; S457-V459 VanDerWaalsContact C-N 3.26Å; S457-V459 PolarHBondContact O-N 2.95Å
458G89.7Confident92.4Very high73 Ų7343 Ų4375%0.75324%0.238SC*.THydrogen-bonded Turntrans74.512.3-178.900000114.7A454 E455A454-G458 PolarHBondContact O-N 3.14Å; A454-G458 VanDerWaalsContact O-N 3.13Å; E455-G458 PolarHBondContact O-N 3.04Å; E455-G458 VanDerWaalsContact O-N 3.12Å
459V91.1Very high92.3Very high25 Ų2544.3 Ų44.315%0.15224%0.24CC..  trans-93.9145.9178.5179.60000110.1A454 S457 G461 F481 P488A454-V459 CarbonylContact C-O 3.38Å; A454-V459 HydrophobicContact CB-CB 4.31Å; A454-V459 PolarHBondContact O-N 2.96Å; S457-V459 VanDerWaalsContact C-N 3.26Å; S457-V459 PolarHBondContact O-N 2.95Å; V459-G461 PolarHBondContact O-N 3.4Å; V459-G461 VanDerWaalsContact O-N 3.12Å; V459-F481 HydrophobicContact CB-CE2 4.48Å; V459-F481 HydrophobicContact CB-CZ 4.2Å; V459-F481 HydrophobicContact CG1-CE2 4.39Å; V459-F481 HydrophobicContact CG2-CE2 4.31Å; V459-F481 HydrophobicContact CG2-CZ 3.98Å; V459-P488 HydrophobicContact CG1-CB 3.68Å; V459-P488 HydrophobicContact CG1-CG 4.22Å
460K91.5Very high92.3Very high159 Ų15947.2 Ų47.269%0.69126%0.26SS*.  trans-70108176.7-67.2179.9-177.11730110.6N462 E463 L464K460-N462 VanDerWaalsContact C-N 3.32Å; K460-N462 PolarHBondContact O-N 2.89Å; K460-E463 HydrophobicContact CB-CB 4.36Å; K460-E463 PolarHBondContact O-N 2.8Å; K460-E463 VanDerWaalsContact O-N 3.15Å; K460-L464 PolarHBondContact O-N 2.81Å
461G90.3Very high92.1Very high6 Ų647.6 Ų47.66%0.06226%0.263CS..Hα-helixtrans-55.5-38.6-177.400000115V459 E463 L464 I465V459-G461 PolarHBondContact O-N 3.4Å; V459-G461 VanDerWaalsContact O-N 3.12Å; G461-E463 VanDerWaalsContact C-N 3.34Å; G461-E463 PolarHBondContact O-N 3.26Å; G461-L464 PolarHBondContact O-N 3.24Å; G461-I465 WeakPolarHBondContact O-CD1 3.37Å; G461-I465 VanDerWaalsContact O-CG1 3.26Å; G461-I465 WeakPolarHBondContact O-CG1 3.48Å; G461-I465 PolarHBondContact O-N 2.82Å
462N91.4Very high92Very high126 Ų12644.2 Ų44.267%0.67425%0.25SS*.Hα-helixtrans-65-36.4180-67.2-11.6000113.1K460 S466K460-N462 VanDerWaalsContact C-N 3.32Å; K460-N462 PolarHBondContact O-N 2.89Å; N462-S466 PolarHBondContact O-N 3.33Å
463E92.3Very high91.9Very high90 Ų9050.2 Ų50.242%0.42128%0.278SS..Hα-helixtrans-71.6-41.1178.6-169.3-177.9157.700110.6K460 G461 S466 K467 P488K460-E463 HydrophobicContact CB-CB 4.36Å; K460-E463 PolarHBondContact O-N 2.8Å; K460-E463 VanDerWaalsContact O-N 3.15Å; G461-E463 VanDerWaalsContact C-N 3.34Å; G461-E463 PolarHBondContact O-N 3.26Å; E463-S466 PolarHBondContact O-N 3.21Å; E463-K467 WeakPolarHBondContact O-CG 3.24Å; E463-K467 PolarHBondContact O-N 2.94Å; E463-K467 IonicContact OE1-NZ 3.64Å; E463-K467 PolarHBondContact OE1-NZ 2.95Å; E463-P488 HydrophobicContact CB-CG 4.13Å; E463-P488 HydrophobicContact CG-CB 4.44Å; E463-P488 HydrophobicContact CG-CG 3.72Å; E463-P488 VanDerWaalsContact OE1-CG 3.26Å; E463-P488 WeakPolarHBondContact OE1-CG 3.47Å
464L92.3Very high91.8Very high0 Ų056.8 Ų56.80%031%0.308CS..Hα-helixtrans-60.9-50175.7177.767.2000111.7A454 K460 G461 S466 K467 L468 F481 P488 V490A454-L464 HydrophobicContact CB-CB 4.47Å; A454-L464 HydrophobicContact CB-CD2 3.6Å; K460-L464 PolarHBondContact O-N 2.81Å; G461-L464 PolarHBondContact O-N 3.24Å; L464-S466 VanDerWaalsContact C-N 3.27Å; L464-S466 PolarHBondContact O-N 3.38Å; L464-K467 PolarHBondContact O-N 2.96Å; L464-K467 VanDerWaalsContact O-N 3.14Å; L464-L468 HydrophobicContact CD1-CD1 4.11Å; L464-L468 HydrophobicContact CD1-CG 4.11Å; L464-L468 HydrophobicContact CD2-CD1 4.22Å; L464-L468 HydrophobicContact CG-CD1 3.81Å; L464-L468 HydrophobicContact CG-CG 4.22Å; L464-L468 WeakPolarHBondContact O-CG 3.47Å; L464-L468 PolarHBondContact O-N 3.4Å; L464-F481 HydrophobicContact CD1-CB 4.31Å; L464-F481 HydrophobicContact CD1-CD2 3.35Å; L464-F481 HydrophobicContact CD1-CE2 4.02Å; L464-F481 HydrophobicContact CD1-CG 4.12Å; L464-F481 HydrophobicContact CD2-CB 3.91Å; L464-F481 HydrophobicContact CD2-CD1 4.14Å; L464-F481 HydrophobicContact CD2-CD2 3.39Å; L464-F481 HydrophobicContact CD2-CE2 3.89Å; L464-F481 HydrophobicContact CD2-CG 3.53Å; L464-F481 HydrophobicContact CD2-CZ 4.45Å; L464-F481 HydrophobicContact CG-CD2 3.99Å; L464-F481 HydrophobicContact CG-CG 4.46Å; L464-P488 HydrophobicContact CB-CB 4.07Å; L464-P488 HydrophobicContact CD1-CB 4.28Å; L464-V490 HydrophobicContact CD1-CG1 3.97Å
465I93.8Very high91.5Very high10 Ų1059 Ų595%0.05133%0.331CS..Hα-helixtrans-57.3-44-178.8-70.9164.9000110.5E447 R451 G461 K467 L468 Y469E447-I465 HydrophobicContact CB-CD1 4.17Å; R451-I465 HydrophobicContact CB-CD1 4.07Å; R451-I465 HydrophobicContact CG-CD1 4.36Å; G461-I465 WeakPolarHBondContact O-CD1 3.37Å; G461-I465 VanDerWaalsContact O-CG1 3.26Å; G461-I465 WeakPolarHBondContact O-CG1 3.48Å; G461-I465 PolarHBondContact O-N 2.82Å; I465-K467 PolarHBondContact O-N 3.28Å; I465-L468 PolarHBondContact O-N 3.37Å; I465-Y469 HydrophobicContact CG2-CD2 3.52Å; I465-Y469 HydrophobicContact CG2-CE2 3.46Å; I465-Y469 VanDerWaalsContact CG2-CE2 3.46Å; I465-Y469 VanDerWaalsContact O-CD2 3.27Å; I465-Y469 WeakPolarHBondContact O-CD2 3.45Å; I465-Y469 PolarHBondContact O-N 2.86Å
466S93.1Very high91.3Very high81 Ų8158 Ų5857%0.56633%0.329SS*.Hα-helixtrans-59-44.9177.4-174.30000112.5N462 E463 L464 Y469 S470N462-S466 PolarHBondContact O-N 3.33Å; E463-S466 PolarHBondContact O-N 3.21Å; L464-S466 VanDerWaalsContact C-N 3.27Å; L464-S466 PolarHBondContact O-N 3.38Å; S466-Y469 PolarHBondContact O-N 3.4Å; S466-S470 PolarHBondContact O-N 3.27Å
467K92.2Very high91.1Very high76 Ų7660.7 Ų60.733%0.3334%0.34SS..Hα-helixtrans-67.6-39.3177.2-69.6-177.9-174.2-178.70112.9E463 L464 I465 S470 A471 P488 V490E463-K467 WeakPolarHBondContact O-CG 3.24Å; E463-K467 PolarHBondContact O-N 2.94Å; E463-K467 IonicContact OE1-NZ 3.64Å; E463-K467 PolarHBondContact OE1-NZ 2.95Å; L464-K467 PolarHBondContact O-N 2.96Å; L464-K467 VanDerWaalsContact O-N 3.14Å; I465-K467 PolarHBondContact O-N 3.28Å; K467-S470 PolarHBondContact O-N 3.26Å; K467-S470 PolarHBondContact O-OG 3.14Å; K467-A471 WeakPolarHBondContact O-CB 3.48Å; K467-A471 PolarHBondContact O-N 3.31Å; K467-A471 VanDerWaalsContact O-N 3.07Å; K467-P488 HydrophobicContact CD-CB 4.33Å; K467-P488 WeakPolarHBondContact CD-O 3.4Å; K467-P488 PolarHBondContact NZ-O 3.46Å; K467-V490 HydrophobicContact CB-CG1 4.39Å
468L92.4Very high91.2Very high0 Ų061 Ų610%034%0.339CS..Hα-helixtrans-62.4-48.2175.1-71.8172.4000110I418 P450 L464 I465 S470 A471 H472 I479 V490I418-L468 HydrophobicContact CG1-CB 4.14Å; I418-L468 HydrophobicContact CG1-CD1 4.08Å; I418-L468 HydrophobicContact CG2-CB 4.31Å; P450-L468 HydrophobicContact CB-CD1 4.19Å; L464-L468 HydrophobicContact CD1-CD1 4.11Å; L464-L468 HydrophobicContact CD1-CG 4.11Å; L464-L468 HydrophobicContact CD2-CD1 4.22Å; L464-L468 HydrophobicContact CG-CD1 3.81Å; L464-L468 HydrophobicContact CG-CG 4.22Å; L464-L468 WeakPolarHBondContact O-CG 3.47Å; L464-L468 PolarHBondContact O-N 3.4Å; I465-L468 PolarHBondContact O-N 3.37Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 3.44Å; L468-A471 PolarHBondContact O-N 3.43Å; L468-H472 PolarHBondContact O-CD2 3.37Å; L468-H472 PolarHBondContact O-N 2.86Å; L468-I479 HydrophobicContact CD2-CG2 4.35Å; L468-V490 HydrophobicContact CD2-CB 4.26Å; L468-V490 HydrophobicContact CD2-CG1 3.57Å; L468-V490 HydrophobicContact CG-CG1 4.07Å
469Y93.3Very high91.3Very high42 Ų4258.8 Ų58.817%0.16531%0.31CS..Hα-helixtrans-58.1-42.9176-86-66.8000112.5I418 A421 K422 E447 I465 S466 A471 H472 H473I418-Y469 HydrophobicContact CD1-CE2 4.27Å; I418-Y469 HydrophobicContact CG2-CD1 4.07Å; I418-Y469 HydrophobicContact CG2-CE1 4.18Å; I418-Y469 HydrophobicContact CG2-CG 4.39Å; A421-Y469 WeakPolarHBondContact CB-OH 3.42Å; K422-Y469 HydrophobicContact CB-CE1 4.44Å; E447-Y469 HydrophobicContact CG-CE2 4.26Å; E447-Y469 VanDerWaalsContact OE1-CE2 3.23Å; E447-Y469 WeakPolarHBondContact OE1-CE2 3.43Å; E447-Y469 PolarHBondContact OE1-OH 3.13Å; I465-Y469 HydrophobicContact CG2-CD2 3.52Å; I465-Y469 HydrophobicContact CG2-CE2 3.46Å; I465-Y469 VanDerWaalsContact CG2-CE2 3.46Å; I465-Y469 VanDerWaalsContact O-CD2 3.27Å; I465-Y469 WeakPolarHBondContact O-CD2 3.45Å; I465-Y469 PolarHBondContact O-N 2.86Å; S466-Y469 PolarHBondContact O-N 3.4Å; Y469-A471 PolarHBondContact O-N 3.37Å; Y469-H472 PolarHBondContact O-N 2.97Å; Y469-H473 WeakPolarHBondContact O-CB 3.34Å; Y469-H473 PolarHBondContact O-CD2 3.23Å; Y469-H473 PolarHBondContact O-N 2.82Å
470S93Very high91.4Very high62 Ų6257.6 Ų57.643%0.43430%0.302SS..Hα-helixtrans-60.8-45.7178.272.20000111.7S466 K467 L468 H472 H473 E474S466-S470 PolarHBondContact O-N 3.27Å; K467-S470 PolarHBondContact O-N 3.26Å; K467-S470 PolarHBondContact O-OG 3.14Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 3.44Å; S470-H472 PolarHBondContact O-N 2.75Å; S470-H473 PolarHBondContact O-N 2.94Å; S470-E474 WeakPolarHBondContact O-CG 3.45Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 VanDerWaalsContact O-N 3.11Å
471A91.8Very high91.4Very high7 Ų750.2 Ų50.26%0.05827%0.27CS..Hα-helixtrans-62.5-42.5178.200000112.6K467 L468 Y469 E474 N476 I479K467-A471 WeakPolarHBondContact O-CB 3.48Å; K467-A471 PolarHBondContact O-N 3.31Å; K467-A471 VanDerWaalsContact O-N 3.07Å; L468-A471 PolarHBondContact O-N 3.43Å; Y469-A471 PolarHBondContact O-N 3.37Å; A471-E474 PolarHBondContact O-N 3.4Å; A471-N476 PolarHBondContact O-N 3.25Å; A471-I479 HydrophobicContact CB-CB 4.29Å; A471-I479 HydrophobicContact CB-CD1 3.94Å; A471-I479 HydrophobicContact CB-CG2 3.93Å
472H92.3Very high91.5Very high0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-70.1-30.6176-82.2-96.3000112.6A415 I418 E419 K422 L468 Y469 S470 E474 G475 K477 I479A415-H472 PolarHBondContact O-CE1 2.94Å; I418-H472 HydrophobicContact CG2-CB 4.27Å; E419-H472 IonicContact OE2-CE1 2.72Å; E419-H472 IonicContact OE2-CG 4Å; E419-H472 IonicContact OE2-ND1 3.78Å; E419-H472 PolarHBondContact OE2-ND1 3.35Å; K422-H472 PolarHBondContact NZ-O 3.19Å; L468-H472 PolarHBondContact O-CD2 3.37Å; L468-H472 PolarHBondContact O-N 2.86Å; Y469-H472 PolarHBondContact O-N 2.97Å; S470-H472 PolarHBondContact O-N 2.75Å; H472-E474 VanDerWaalsContact C-N 3.33Å; H472-G475 PolarHBondContact O-N 3.09Å; H472-K477 PolarHBondContact CE1-O 3.46Å; H472-K477 VanDerWaalsContact CE1-O 3.3Å; H472-I479 PolarHBondContact NE2-O 3.04Å
473H91.1Very high91.2Very high126 Ų12647.3 Ų47.358%0.58325%0.253SS*.Hα-helixtrans-67.5-32.9173-86.1-66.6000112.6Y469 S470 G475Y469-H473 WeakPolarHBondContact O-CB 3.34Å; Y469-H473 PolarHBondContact O-CD2 3.23Å; Y469-H473 PolarHBondContact O-N 2.82Å; S470-H473 PolarHBondContact O-N 2.94Å; H473-G475 PolarHBondContact O-N 3.43Å
474E91.1Very high90.8Very high151 Ų15149.7 Ų49.771%0.70626%0.264SS*.THydrogen-bonded Turntrans-70-8.1172.7-68.9173.8-178.400113.5S470 A471 H472S470-E474 WeakPolarHBondContact O-CG 3.45Å; S470-E474 PolarHBondContact O-N 3.16Å; S470-E474 VanDerWaalsContact O-N 3.11Å; A471-E474 PolarHBondContact O-N 3.4Å; H472-E474 VanDerWaalsContact C-N 3.33Å
475G84.9Confident90.2Very high47 Ų4750.8 Ų50.849%0.48528%0.275SS..THydrogen-bonded Turntrans102.22.8175.200000114.6H472 H473 K477H472-G475 PolarHBondContact O-N 3.09Å; H473-G475 PolarHBondContact O-N 3.43Å; G475-K477 PolarHBondContact O-N 3.37Å
476N88.2Confident89.3Confident78 Ų7859.7 Ų59.742%0.41732%0.317SS..  trans-86.393.6-179.2-63-35.3000110.9A471 N478 I479A471-N476 PolarHBondContact O-N 3.25Å; N476-N478 VanDerWaalsContact C-N 3.34Å; N476-N478 PolarHBondContact O-N 3.34Å; N476-I479 HydrophobicContact CB-CD1 3.37Å; N476-I479 HydrophobicContact CB-CG1 3.81Å
477K88.4Confident88.6Confident84 Ų8457.5 Ų57.537%0.36531%0.307SS..THydrogen-bonded Turntrans-73.9-20.5-177.1-61.1-176.1175.2-177.30114.8E419 H472 G475E419-K477 HydrophobicContact CG-CD 4.47Å; E419-K477 HydrophobicContact CG-CG 4.32Å; H472-K477 PolarHBondContact CE1-O 3.46Å; H472-K477 VanDerWaalsContact CE1-O 3.3Å; G475-K477 PolarHBondContact O-N 3.37Å
478N90.7Very high88.1Confident39 Ų3954.7 Ų54.721%0.20930%0.296CS..THydrogen-bonded Turntrans-92.2-2.6-172.9-58.2-16000113.3N476 G480 D492 M493N476-N478 VanDerWaalsContact C-N 3.34Å; N476-N478 PolarHBondContact O-N 3.34Å; N478-G480 PolarHBondContact O-N 2.97Å; N478-D492 WeakPolarHBondContact CB-OD1 3.48Å; N478-M493 WeakPolarHBondContact O-CB 3.28Å; N478-M493 WeakPolarHBondContact O-CG 3.27Å; N478-M493 PolarHBondContact O-N 3.07Å
479I92.7Very high87.9Confident26 Ų2656 Ų5613%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-77.6121.3-175.3-69.2-178.5000109.4A415 L468 A471 H472 N476 V490 K491A415-I479 VanDerWaalsContact CB-O 3.28Å; A415-I479 WeakPolarHBondContact CB-O 3.32Å; L468-I479 HydrophobicContact CD2-CG2 4.35Å; A471-I479 HydrophobicContact CB-CB 4.29Å; A471-I479 HydrophobicContact CB-CD1 3.94Å; A471-I479 HydrophobicContact CB-CG2 3.93Å; H472-I479 PolarHBondContact NE2-O 3.04Å; N476-I479 HydrophobicContact CB-CD1 3.37Å; N476-I479 HydrophobicContact CB-CG1 3.81Å; I479-V490 HydrophobicContact CG2-CB 3.56Å; I479-V490 HydrophobicContact CG2-CG1 4.45Å; I479-V490 HydrophobicContact CG2-CG2 3.74Å; I479-K491 WeakPolarHBondContact CA-O 3.4Å
480G92.3Very high87.7Confident0 Ų056.6 Ų56.60%032%0.315CS..EExtended strand (participates in β ladder)trans-122.9-177.4178.500000112.3N478 V490 K491N478-G480 PolarHBondContact O-N 2.97Å; G480-V490 VanDerWaalsContact O-CA 3.27Å; G480-V490 WeakPolarHBondContact O-CA 3.42Å; G480-V490 WeakPolarHBondContact O-CB 3.36Å; G480-K491 PolarHBondContact N-O 3.39Å; G480-K491 PolarHBondContact O-N 3.46Å; G480-K491 VanDerWaalsContact O-N 3.1Å
481F92.2Very high87.6Confident3 Ų357.8 Ų57.81%0.01331%0.313CS..EExtended strand (participates in β ladder)trans-72.9129.1175.1178.7-135.1000111.3A413 L453 V459 L464 I483A413-F481 WeakPolarHBondContact CB-O 3.41Å; A413-F481 WeakPolarHBondContact O-CB 3.44Å; A413-F481 PolarHBondContact O-N 3.18Å; L453-F481 HydrophobicContact CB-CD1 3.94Å; L453-F481 HydrophobicContact CB-CE1 4.31Å; V459-F481 HydrophobicContact CB-CE2 4.48Å; V459-F481 HydrophobicContact CB-CZ 4.2Å; V459-F481 HydrophobicContact CG1-CE2 4.39Å; V459-F481 HydrophobicContact CG2-CE2 4.31Å; V459-F481 HydrophobicContact CG2-CZ 3.98Å; L464-F481 HydrophobicContact CD1-CB 4.31Å; L464-F481 HydrophobicContact CD1-CD2 3.35Å; L464-F481 HydrophobicContact CD1-CE2 4.02Å; L464-F481 HydrophobicContact CD1-CG 4.12Å; L464-F481 HydrophobicContact CD2-CB 3.91Å; L464-F481 HydrophobicContact CD2-CD1 4.14Å; L464-F481 HydrophobicContact CD2-CD2 3.39Å; L464-F481 HydrophobicContact CD2-CE2 3.89Å; L464-F481 HydrophobicContact CD2-CG 3.53Å; L464-F481 HydrophobicContact CD2-CZ 4.45Å; L464-F481 HydrophobicContact CG-CD2 3.99Å; L464-F481 HydrophobicContact CG-CG 4.46Å; F481-I483 HydrophobicContact CD1-CG1 3.82Å; F481-I483 HydrophobicContact CE1-CG1 3.72Å; F481-I483 HydrophobicContact CZ-CG1 4.5Å
482D91.1Very high87.6Confident33 Ų3359.6 Ų59.618%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-96120171.1-171.5-0.2000110.2E484 G485 A489 K491D482-E484 PolarHBondContact OD1-N 3.04Å; D482-E484 VanDerWaalsContact OD1-N 3.09Å; D482-G485 PolarHBondContact OD1-N 3.36Å; D482-A489 HydrophobicContact CB-CB 4.26Å; D482-A489 PolarHBondContact N-O 3.41Å; D482-A489 VanDerWaalsContact N-O 3.15Å; D482-K491 HydrophobicContact CB-CB 3.99Å
483I86.4Confident87.5Confident39 Ų3959.7 Ų59.720%0.232%0.322CS..SBendtrans-84.2-27.2-176.2-59.4177.1000111.3P49 N50 F481P49-I483 HydrophobicContact CG-CD1 3.22Å; N50-I483 WeakPolarHBondContact ND2-CG2 3.47Å; F481-I483 HydrophobicContact CD1-CG1 3.82Å; F481-I483 HydrophobicContact CE1-CG1 3.72Å; F481-I483 HydrophobicContact CZ-CG1 4.5Å
484E84Confident87.4Confident140 Ų14057.5 Ų57.565%0.65431%0.314SS*.SBendtrans-85.6-20.6-180-61.9-174.1157.500112.3D482D482-E484 PolarHBondContact OD1-N 3.04Å; D482-E484 VanDerWaalsContact OD1-N 3.09Å
485G78.6Confident87.3Confident23 Ų2357.7 Ų57.724%0.23732%0.315CS..SBendtrans-67.6154.2-178.400000113.9D482 G487D482-G485 PolarHBondContact OD1-N 3.36Å; G485-G487 PolarHBondContact O-N 3.44Å
486E75.2Confident87.3Confident196 Ų19656.5 Ų56.592%0.91630%0.301SS*.SBendtrans-70.5112.4174.6-68.1-174.3176.900110.9
487G78.8Confident87.3Confident35 Ų3554.1 Ų54.136%0.36129%0.294SS..SBendtrans74.7-146.3176.400000113.1G485 A489G485-G487 PolarHBondContact O-N 3.44Å; G487-A489 PolarHBondContact O-N 2.91Å
488P81.6Confident87.4Confident17 Ų1752 Ų5211%0.1129%0.286CS..SBendtrans-83.672177.323.6-13.7000109.5V459 E463 L464 K467V459-P488 HydrophobicContact CG1-CB 3.68Å; V459-P488 HydrophobicContact CG1-CG 4.22Å; E463-P488 HydrophobicContact CB-CG 4.13Å; E463-P488 HydrophobicContact CG-CB 4.44Å; E463-P488 HydrophobicContact CG-CG 3.72Å; E463-P488 VanDerWaalsContact OE1-CG 3.26Å; E463-P488 WeakPolarHBondContact OE1-CG 3.47Å; L464-P488 HydrophobicContact CB-CB 4.07Å; L464-P488 HydrophobicContact CD1-CB 4.28Å; K467-P488 HydrophobicContact CD-CB 4.33Å; K467-P488 WeakPolarHBondContact CD-O 3.4Å; K467-P488 PolarHBondContact NZ-O 3.46Å
489A87.9Confident87.5Confident29 Ų2951 Ų5124%0.2428%0.281CS..EExtended strand (participates in β ladder)trans-85149.5172.100000110.3D482 G487D482-A489 HydrophobicContact CB-CB 4.26Å; D482-A489 PolarHBondContact N-O 3.41Å; D482-A489 VanDerWaalsContact N-O 3.15Å; G487-A489 PolarHBondContact O-N 2.91Å
490V90Very high87.4Confident54 Ų5451.2 Ų51.233%0.32728%0.282SS..EExtended strand (participates in β ladder)trans-128.3143.1177.9-60.10000108.8L464 K467 L468 I479 G480L464-V490 HydrophobicContact CD1-CG1 3.97Å; K467-V490 HydrophobicContact CB-CG1 4.39Å; L468-V490 HydrophobicContact CD2-CB 4.26Å; L468-V490 HydrophobicContact CD2-CG1 3.57Å; L468-V490 HydrophobicContact CG-CG1 4.07Å; I479-V490 HydrophobicContact CG2-CB 3.56Å; I479-V490 HydrophobicContact CG2-CG1 4.45Å; I479-V490 HydrophobicContact CG2-CG2 3.74Å; G480-V490 VanDerWaalsContact O-CA 3.27Å; G480-V490 WeakPolarHBondContact O-CA 3.42Å; G480-V490 WeakPolarHBondContact O-CB 3.36Å
491K91Very high87.4Confident87 Ų8751.3 Ų51.338%0.37828%0.283SS..EExtended strand (participates in β ladder)trans-141.5155.4-174.3-172.8175.6179.4-178.70110.2I479 G480 D482 M493 A496I479-K491 WeakPolarHBondContact CA-O 3.4Å; G480-K491 PolarHBondContact N-O 3.39Å; G480-K491 PolarHBondContact O-N 3.46Å; G480-K491 VanDerWaalsContact O-N 3.1Å; D482-K491 HydrophobicContact CB-CB 3.99Å; K491-M493 HydrophobicContact CB-CE 3.93Å; K491-M493 WeakPolarHBondContact O-CE 3.37Å; K491-M493 PolarHBondContact O-N 3.31Å; K491-A496 HydrophobicContact CD-CB 4.46Å
492D91.7Very high87.5Confident44 Ų4452.1 Ų52.124%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-70.4118.3171.1-166.1-35.4000109.9N478 L494 E495 A496N478-D492 WeakPolarHBondContact CB-OD1 3.48Å; D492-L494 VanDerWaalsContact C-N 3.3Å; D492-L494 PolarHBondContact O-N 3.48Å; D492-L494 VanDerWaalsContact OD1-CB 3.24Å; D492-L494 WeakPolarHBondContact OD1-CB 2.95Å; D492-L494 PolarHBondContact OD1-N 3.43Å; D492-E495 HydrophobicContact CB-CB 4.29Å; D492-E495 HydrophobicContact CB-CG 4.04Å; D492-E495 PolarHBondContact O-N 3.14Å; D492-A496 PolarHBondContact O-N 2.94Å; D492-A496 VanDerWaalsContact O-N 3.12Å
493M90Very high87.6Confident2 Ų251.9 Ų51.91%0.0129%0.285CS..Hα-helixtrans-72.5-23.8-178-65.4-61.7116.300112.9P411 A413 A415 N478 K491 G497 I498P411-M493 HydrophobicContact CB-CB 4.15Å; A413-M493 HydrophobicContact CB-CE 4.33Å; A413-M493 HydrophobicContact CB-CG 4.23Å; A413-M493 HydrophobicContact CB-SD 3.4Å; A413-M493 WeakPolarHBondContact CB-SD 3.2Å; A415-M493 HydrophobicContact CB-CG 4.47Å; N478-M493 WeakPolarHBondContact O-CB 3.28Å; N478-M493 WeakPolarHBondContact O-CG 3.27Å; N478-M493 PolarHBondContact O-N 3.07Å; K491-M493 HydrophobicContact CB-CE 3.93Å; K491-M493 WeakPolarHBondContact O-CE 3.37Å; K491-M493 PolarHBondContact O-N 3.31Å; M493-G497 PolarHBondContact O-N 3.19Å; M493-I498 PolarHBondContact O-N 2.96Å; M493-I498 HydrophobicContact SD-CB 4Å; M493-I498 HydrophobicContact SD-CD1 4.13Å; M493-I498 HydrophobicContact SD-CG2 4.35Å
494L88.6Confident87.9Confident80 Ų8050.4 Ų50.442%0.41928%0.278SS..Hα-helixtrans-68.5-45174.4-169.6160.7000110C148 D492 A496 G497C148-L494 HydrophobicContact CB-CD1 4.23Å; D492-L494 VanDerWaalsContact C-N 3.3Å; D492-L494 PolarHBondContact O-N 3.48Å; D492-L494 VanDerWaalsContact OD1-CB 3.24Å; D492-L494 WeakPolarHBondContact OD1-CB 2.95Å; D492-L494 PolarHBondContact OD1-N 3.43Å; L494-A496 VanDerWaalsContact C-N 3.33Å; L494-G497 PolarHBondContact O-N 2.83Å
495E88.3Confident88.4Confident156 Ų15644.4 Ų44.473%0.72925%0.25SC*.Hα-helixtrans-67.4-34.9176.8-62.6-174.4168.200112.2D492 G497D492-E495 HydrophobicContact CB-CB 4.29Å; D492-E495 HydrophobicContact CB-CG 4.04Å; D492-E495 PolarHBondContact O-N 3.14Å; E495-G497 PolarHBondContact O-N 3.2Å
496A86.7Confident89.2Confident22 Ų2245.1 Ų45.118%0.18225%0.247CC..Hα-helixtrans-73.9-14.3174.800000113.5K491 D492 L494 I498K491-A496 HydrophobicContact CD-CB 4.46Å; D492-A496 PolarHBondContact O-N 2.94Å; D492-A496 VanDerWaalsContact O-N 3.12Å; L494-A496 VanDerWaalsContact C-N 3.33Å; A496-I498 VanDerWaalsContact C-N 3.27Å; A496-I498 HydrophobicContact CB-CD1 4.02Å; A496-I498 HydrophobicContact CB-CG1 3.99Å; A496-I498 PolarHBondContact O-N 3.15Å
497G87Confident90.2Very high28 Ų2838.9 Ų38.929%0.28922%0.215SC..THydrogen-bonded Turntrans69.221.9-174.700000113.8M493 L494 E495 L499M493-G497 PolarHBondContact O-N 3.19Å; L494-G497 PolarHBondContact O-N 2.83Å; E495-G497 PolarHBondContact O-N 3.2Å; G497-L499 PolarHBondContact O-N 2.9Å
498I90.9Very high91Very high38 Ų3837.2 Ų37.220%0.19520%0.198CC..  trans-95.287.6-179-56.5174.5000108.8T166 G412 M493 A496T166-I498 HydrophobicContact CG2-CB 4.39Å; T166-I498 HydrophobicContact CG2-CG2 4.1Å; G412-I498 PolarHBondContact N-O 2.89Å; M493-I498 PolarHBondContact O-N 2.96Å; M493-I498 HydrophobicContact SD-CB 4Å; M493-I498 HydrophobicContact SD-CD1 4.13Å; M493-I498 HydrophobicContact SD-CG2 4.35Å; A496-I498 VanDerWaalsContact C-N 3.27Å; A496-I498 HydrophobicContact CB-CD1 4.02Å; A496-I498 HydrophobicContact CB-CG1 3.99Å; A496-I498 PolarHBondContact O-N 3.15Å
499L91.5Very high91.7Very high18 Ų1836.5 Ų36.59%0.09419%0.193CC..EExtended strand (participates in β ladder)trans-120.5142.7-177-55.4179.5000111.6C148 S149 T166 L409 V410 G497C148-L499 WeakPolarHBondContact SG-CD2 3.38Å; S149-L499 WeakPolarHBondContact OG-CD1 3.44Å; T166-L499 WeakPolarHBondContact CG2-O 3.42Å; T166-L499 PolarHBondContact OG1-O 2.99Å; L409-L499 HydrophobicContact CB-CB 4.21Å; L409-L499 HydrophobicContact CB-CD1 4.17Å; L409-L499 HydrophobicContact CD1-CB 4.41Å; L409-L499 HydrophobicContact CD1-CD1 3.83Å; V410-L499 WeakPolarHBondContact O-CA 3.35Å; G497-L499 PolarHBondContact O-N 2.9Å
500D91.8Very high92.1Very high31 Ų3140.2 Ų40.217%0.16620%0.2CC..EExtended strand (participates in β ladder)trans-106.6146174.2-66.4-22.4000109.7L409 V410 Y502 K505L409-D500 WeakPolarHBondContact CA-O 3.35Å; V410-D500 HydrophobicContact CG2-CB 4.15Å; V410-D500 WeakPolarHBondContact CG2-O 3.12Å; V410-D500 PolarHBondContact N-O 3.18Å; V410-D500 PolarHBondContact O-N 2.94Å; D500-Y502 PolarHBondContact O-N 3.04Å; D500-K505 WeakPolarHBondContact OD2-CE 3.48Å; D500-K505 IonicContact OD2-NZ 2.81Å; D500-K505 PolarHBondContact OD2-NZ 3.28Å
501P92.3Very high92.4Very high2 Ų238.7 Ų38.71%0.01319%0.191CC..EExtended strand (participates in β ladder)trans-65.2133.3171.3-13.323.3000111.6T399 V402 L403 L503 V504T399-P501 HydrophobicContact CG2-CG 3.76Å; V402-P501 HydrophobicContact CG1-CB 4.09Å; L403-P501 HydrophobicContact CD2-CB 4.26Å; L403-P501 HydrophobicContact CD2-CG 4.38Å; P501-L503 PolarHBondContact O-N 3.19Å; P501-V504 HydrophobicContact CB-CG2 3.75Å; P501-V504 HydrophobicContact CG-CG2 3.75Å; P501-V504 WeakPolarHBondContact O-CB 3.49Å; P501-V504 PolarHBondContact O-N 3.38Å; P501-V504 VanDerWaalsContact O-N 3.08Å
502Y93.9Very high92.6Very high20 Ų2034.6 Ų34.68%0.07817%0.173CC..Hα-helixtrans-52.4-41.9179.5165.1-93.8000112.3L143 P144 I147 D406 R408 V410 D500 V504 K505 H506L143-Y502 HydrophobicContact CB-CE2 3.94Å; L143-Y502 HydrophobicContact CD2-CD2 3.88Å; L143-Y502 HydrophobicContact CD2-CE2 3.44Å; L143-Y502 VanDerWaalsContact CD2-CE2 3.44Å; L143-Y502 HydrophobicContact CG-CD2 3.81Å; L143-Y502 HydrophobicContact CG-CE2 3.43Å; L143-Y502 VanDerWaalsContact CG-CE2 3.43Å; P144-Y502 HydrophobicContact CG-CE2 4.14Å; I147-Y502 HydrophobicContact CD1-CD2 4.36Å; I147-Y502 HydrophobicContact CG1-CD2 4.31Å; D406-Y502 WeakPolarHBondContact OD2-CD1 3.27Å; R408-Y502 HydrophobicContact CB-CG 4.32Å; R408-Y502 WeakPolarHBondContact O-CB 3.21Å; R408-Y502 PolarHBondContact O-N 3.46Å; V410-Y502 HydrophobicContact CG1-CD2 4.19Å; D500-Y502 PolarHBondContact O-N 3.04Å; Y502-V504 VanDerWaalsContact C-N 3.26Å; Y502-V504 PolarHBondContact O-N 3.46Å; Y502-K505 PolarHBondContact O-N 3.44Å; Y502-H506 HydrophobicContact CE1-CB 4.09Å; Y502-H506 AromaticContact CZ-ND1 3.94Å; Y502-H506 PolarHBondContact O-N 2.97Å; Y502-H506 PolarHBondContact OH-ND1 3.37Å
503L93.2Very high92.8Very high29 Ų2932.5 Ų32.515%0.15216%0.162CC..Hα-helixtrans-65.3-30.2-175.3-160.167.9000112.3V402 P501 H506 W507V402-L503 HydrophobicContact CG1-CB 3.75Å; V402-L503 HydrophobicContact CG1-CD2 3.93Å; V402-L503 HydrophobicContact CG1-CG 4.41Å; P501-L503 PolarHBondContact O-N 3.19Å; L503-H506 PolarHBondContact O-N 3.41Å; L503-W507 VanDerWaalsContact O-CD1 3.3Å; L503-W507 PolarHBondContact O-N 2.91Å; L503-W507 VanDerWaalsContact O-N 3.07Å
504V93.6Very high93.1Very high8 Ų835.9 Ų35.95%0.04818%0.18CC..Hα-helixtrans-62.8-49.5176.2-176.20000109.9Q93 V97 P501 Y502 G508Q93-V504 PolarHBondContact NE2-O 3.31Å; V97-V504 HydrophobicContact CG1-CB 3.89Å; V97-V504 HydrophobicContact CG1-CG1 4.11Å; V97-V504 HydrophobicContact CG1-CG2 3.29Å; P501-V504 HydrophobicContact CB-CG2 3.75Å; P501-V504 HydrophobicContact CG-CG2 3.75Å; P501-V504 WeakPolarHBondContact O-CB 3.49Å; P501-V504 PolarHBondContact O-N 3.38Å; P501-V504 VanDerWaalsContact O-N 3.08Å; Y502-V504 VanDerWaalsContact C-N 3.26Å; Y502-V504 PolarHBondContact O-N 3.46Å; V504-G508 PolarHBondContact O-N 2.87Å
505K94.2Very high93.4Very high14 Ų1432.3 Ų32.36%0.06116%0.162CC..Hα-helixtrans-67.6-40.8178.5-59.6-65.3-177.81770111.6F103 L143 V410 E417 D500 Y502 G508 I509F103-K505 HydrophobicContact CD2-CD 4.46Å; F103-K505 HydrophobicContact CE2-CD 4.05Å; F103-K505 HydrophobicContact CZ-CD 4.43Å; L143-K505 HydrophobicContact CD1-CB 4.37Å; L143-K505 HydrophobicContact CD2-CB 4.27Å; V410-K505 HydrophobicContact CG2-CG 4Å; E417-K505 IonicContact OE1-NZ 2.93Å; E417-K505 PolarHBondContact OE1-NZ 3.32Å; D500-K505 WeakPolarHBondContact OD2-CE 3.48Å; D500-K505 IonicContact OD2-NZ 2.81Å; D500-K505 PolarHBondContact OD2-NZ 3.28Å; Y502-K505 PolarHBondContact O-N 3.44Å; K505-G508 PolarHBondContact O-N 3.14Å; K505-I509 WeakPolarHBondContact O-CB 3.23Å; K505-I509 WeakPolarHBondContact O-CD1 3.49Å; K505-I509 VanDerWaalsContact O-CG1 3.22Å; K505-I509 WeakPolarHBondContact O-CG1 3.26Å; K505-I509 PolarHBondContact O-N 3.19Å
506H95.1Very high93.8Very high38 Ų3824.9 Ų24.918%0.17613%0.127CC..Hα-helixtrans-57.6-53179.1-17889.7000112L143 Y502 L503 R510L143-H506 HydrophobicContact CD2-CB 3.92Å; Y502-H506 HydrophobicContact CE1-CB 4.09Å; Y502-H506 AromaticContact CZ-ND1 3.94Å; Y502-H506 PolarHBondContact O-N 2.97Å; Y502-H506 PolarHBondContact OH-ND1 3.37Å; L503-H506 PolarHBondContact O-N 3.41Å; H506-R510 WeakPolarHBondContact O-CB 3.36Å; H506-R510 PolarHBondContact O-N 2.86Å
507W95.6Very high94.2Very high65 Ų6524 Ų2425%0.24612%0.119CC..Hα-helixtrans-70.5-39.3177.4-72.8117.2000112.3E96 V97 L503 I509 R510 L511E96-W507 HydrophobicContact CG-CD2 4.36Å; E96-W507 HydrophobicContact CG-CG 4.4Å; V97-W507 HydrophobicContact CG2-CB 4.15Å; V97-W507 HydrophobicContact CG2-CG 4.22Å; L503-W507 VanDerWaalsContact O-CD1 3.3Å; L503-W507 PolarHBondContact O-N 2.91Å; L503-W507 VanDerWaalsContact O-N 3.07Å; W507-I509 PolarHBondContact O-N 3Å; W507-R510 PolarHBondContact O-N 3.17Å; W507-L511 WeakPolarHBondContact O-CB 3.49Å; W507-L511 WeakPolarHBondContact O-CG 3.45Å; W507-L511 PolarHBondContact O-N 2.88Å
508G95.3Very high94.6Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-57.9-48.418000000112.1V504 K505 A512V504-G508 PolarHBondContact O-N 2.87Å; K505-G508 PolarHBondContact O-N 3.14Å; G508-A512 WeakPolarHBondContact O-CB 3.47Å; G508-A512 PolarHBondContact O-N 3.13Å
509I96.2Very high94.8Very high2 Ų223.3 Ų23.31%0.0111%0.111CC..Hα-helixtrans-62.2-51.2177.6-65.8166000109.2F103 F107 T139 L420 F446 K505 W507 L511 A512 T513F103-I509 HydrophobicContact CE1-CG1 3.9Å; F103-I509 HydrophobicContact CZ-CG1 3.73Å; F107-I509 HydrophobicContact CE1-CG2 4.24Å; T139-I509 HydrophobicContact CG2-CD1 3.97Å; T139-I509 HydrophobicContact CG2-CG2 4.16Å; L420-I509 HydrophobicContact CD1-CD1 3.96Å; F446-I509 HydrophobicContact CE1-CD1 4.06Å; F446-I509 HydrophobicContact CE1-CG1 4.11Å; F446-I509 HydrophobicContact CZ-CD1 4.21Å; F446-I509 HydrophobicContact CZ-CG1 4.36Å; F446-I509 HydrophobicContact CZ-CG2 4.43Å; K505-I509 WeakPolarHBondContact O-CB 3.23Å; K505-I509 WeakPolarHBondContact O-CD1 3.49Å; K505-I509 VanDerWaalsContact O-CG1 3.22Å; K505-I509 WeakPolarHBondContact O-CG1 3.26Å; K505-I509 PolarHBondContact O-N 3.19Å; W507-I509 PolarHBondContact O-N 3Å; I509-L511 PolarHBondContact O-N 3.44Å; I509-A512 PolarHBondContact O-N 3.06Å; I509-T513 HydrophobicContact CG2-CG2 4.32Å; I509-T513 VanDerWaalsContact O-CG2 3.26Å; I509-T513 WeakPolarHBondContact O-CG2 3.34Å; I509-T513 PolarHBondContact O-N 3.49Å; I509-T513 PolarHBondContact O-OG1 3.28Å; I509-T513 VanDerWaalsContact O-OG1 3.1Å
510R96.3Very high94.9Very high106 Ų10622.7 Ų22.740%0.411%0.108SC..Hα-helixtrans-60.8-42-177.4-176.6178.8174.5-171.9-1.6113.2L140 H506 W507 T513 N514L140-R510 HydrophobicContact CD1-CB 4.43Å; H506-R510 WeakPolarHBondContact O-CB 3.36Å; H506-R510 PolarHBondContact O-N 2.86Å; W507-R510 PolarHBondContact O-N 3.17Å; R510-T513 PolarHBondContact O-OG1 3.31Å; R510-N514 WeakPolarHBondContact O-CB 3.4Å; R510-N514 PolarHBondContact O-N 3.33Å; R510-N514 VanDerWaalsContact O-N 3.14Å; R510-N514 PolarHBondContact O-ND2 3.25Å
511L96.6Very high94.9Very high23 Ų2328 Ų2812%0.1213%0.126CC..Hα-helixtrans-72.7-41.5-179-71.2176.1000111.3M92 Q93 W507 I509 N514 A515M92-L511 HydrophobicContact CB-CD1 3.97Å; M92-L511 HydrophobicContact CB-CD2 4.22Å; M92-L511 HydrophobicContact SD-CD2 4.38Å; Q93-L511 HydrophobicContact CB-CD1 3.91Å; W507-L511 WeakPolarHBondContact O-CB 3.49Å; W507-L511 WeakPolarHBondContact O-CG 3.45Å; W507-L511 PolarHBondContact O-N 2.88Å; I509-L511 PolarHBondContact O-N 3.44Å; L511-N514 PolarHBondContact O-N 2.73Å; L511-A515 WeakPolarHBondContact O-CB 3.06Å; L511-A515 PolarHBondContact O-N 3.11Å
512A96.3Very high94.9Very high0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-63.7-43.2176.900000112.4V104 F107 A108 G508 I509 A515 A516V104-A512 HydrophobicContact CG1-CB 4.11Å; F107-A512 HydrophobicContact CB-CB 4.3Å; F107-A512 HydrophobicContact CD1-CB 3.63Å; F107-A512 HydrophobicContact CG-CB 4.44Å; A108-A512 HydrophobicContact CB-CB 4.18Å; G508-A512 WeakPolarHBondContact O-CB 3.47Å; G508-A512 PolarHBondContact O-N 3.13Å; I509-A512 PolarHBondContact O-N 3.06Å; A512-A515 PolarHBondContact O-N 2.93Å; A512-A516 WeakPolarHBondContact O-CB 3.37Å; A512-A516 PolarHBondContact O-N 3.01Å
513T96.4Very high94.6Very high1 Ų134.2 Ų34.21%0.00616%0.162CC..Hα-helixtrans-65.2-45.6176.856.20000111.9F107 L111 C136 F442 I509 R510 A515 A516 I517F107-T513 HydrophobicContact CE1-CG2 3.99Å; L111-T513 HydrophobicContact CD1-CG2 3.99Å; C136-T513 HydrophobicContact CB-CG2 3.98Å; C136-T513 PolarHBondContact SG-OG1 3.34Å; F442-T513 HydrophobicContact CE2-CG2 3.33Å; F442-T513 HydrophobicContact CZ-CG2 3.44Å; F442-T513 VanDerWaalsContact CZ-CG2 3.44Å; I509-T513 HydrophobicContact CG2-CG2 4.32Å; I509-T513 VanDerWaalsContact O-CG2 3.26Å; I509-T513 WeakPolarHBondContact O-CG2 3.34Å; I509-T513 PolarHBondContact O-N 3.49Å; I509-T513 PolarHBondContact O-OG1 3.28Å; I509-T513 VanDerWaalsContact O-OG1 3.1Å; R510-T513 PolarHBondContact O-OG1 3.31Å; T513-A515 VanDerWaalsContact C-N 3.31Å; T513-A515 PolarHBondContact O-N 2.74Å; T513-A516 PolarHBondContact O-N 2.72Å; T513-I517 WeakPolarHBondContact O-CB 3.47Å; T513-I517 WeakPolarHBondContact O-CD1 3.11Å; T513-I517 VanDerWaalsContact O-CG1 3.25Å; T513-I517 WeakPolarHBondContact O-CG1 3.41Å; T513-I517 PolarHBondContact O-N 3.27Å
514N95.9Very high94.2Very high72 Ų7236.8 Ų36.839%0.38517%0.173SC..Hα-helixtrans-59.8-42.6175.7-74.4-29.3000111.3R510 L511 I517 T518R510-N514 WeakPolarHBondContact O-CB 3.4Å; R510-N514 PolarHBondContact O-N 3.33Å; R510-N514 VanDerWaalsContact O-N 3.14Å; R510-N514 PolarHBondContact O-ND2 3.25Å; L511-N514 PolarHBondContact O-N 2.73Å; N514-I517 PolarHBondContact O-N 3.19Å; N514-T518 WeakPolarHBondContact O-CB 3.34Å; N514-T518 WeakPolarHBondContact O-CG2 3.4Å; N514-T518 PolarHBondContact O-N 3.18Å; N514-T518 PolarHBondContact O-OG1 3.2Å
515A95.4Very high93.9Very high5 Ų537 Ų374%0.04117%0.174CC..Hα-helixtrans-60.4-50.2176.100000111.3A89 L511 A512 T513 I517 T518 V519A89-A515 HydrophobicContact CB-CB 3.66Å; L511-A515 WeakPolarHBondContact O-CB 3.06Å; L511-A515 PolarHBondContact O-N 3.11Å; A512-A515 PolarHBondContact O-N 2.93Å; T513-A515 VanDerWaalsContact C-N 3.31Å; T513-A515 PolarHBondContact O-N 2.74Å; A515-I517 PolarHBondContact O-N 3.32Å; A515-T518 PolarHBondContact O-N 2.98Å; A515-T518 PolarHBondContact O-OG1 3.48Å; A515-V519 WeakPolarHBondContact O-CG2 3.46Å; A515-V519 PolarHBondContact O-N 3.34Å
516A95.9Very high93.5Very high0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-60.1-44.8178.200000112.1L111 L112 A512 T513 T518 V519 L520L111-A516 HydrophobicContact CB-CB 4.01Å; L111-A516 HydrophobicContact CD1-CB 4.12Å; L112-A516 HydrophobicContact CD2-CB 4.11Å; L112-A516 HydrophobicContact CG-CB 4.16Å; A512-A516 WeakPolarHBondContact O-CB 3.37Å; A512-A516 PolarHBondContact O-N 3.01Å; T513-A516 PolarHBondContact O-N 2.72Å; A516-T518 PolarHBondContact O-N 3.46Å; A516-V519 PolarHBondContact O-N 2.65Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.11Å
517I95.6Very high93Very high3 Ų341.9 Ų41.92%0.01520%0.2CC..Hα-helixtrans-61.4-45176.7-71.1161.4000111I129 E133 T513 N514 A515 V519 L520 R521I129-I517 HydrophobicContact CG1-CG2 4.36Å; I129-I517 HydrophobicContact CG2-CG1 4.48Å; I129-I517 HydrophobicContact CG2-CG2 3.68Å; E133-I517 HydrophobicContact CG-CD1 3.56Å; T513-I517 WeakPolarHBondContact O-CB 3.47Å; T513-I517 WeakPolarHBondContact O-CD1 3.11Å; T513-I517 VanDerWaalsContact O-CG1 3.25Å; T513-I517 WeakPolarHBondContact O-CG1 3.41Å; T513-I517 PolarHBondContact O-N 3.27Å; N514-I517 PolarHBondContact O-N 3.19Å; A515-I517 PolarHBondContact O-N 3.32Å; I517-V519 VanDerWaalsContact C-N 3.3Å; I517-V519 PolarHBondContact O-N 3.01Å; I517-L520 PolarHBondContact O-N 3.35Å; I517-R521 HydrophobicContact CG2-CG 4.39Å; I517-R521 WeakPolarHBondContact O-CG 3.44Å; I517-R521 PolarHBondContact O-N 3.08Å
518T94.9Very high92.4Very high50 Ų5042.7 Ų42.731%0.30722%0.22SC..Hα-helixtrans-63.3-36.8178.758.70000112.2N514 A515 A516 R521 V522N514-T518 WeakPolarHBondContact O-CB 3.34Å; N514-T518 WeakPolarHBondContact O-CG2 3.4Å; N514-T518 PolarHBondContact O-N 3.18Å; N514-T518 PolarHBondContact O-OG1 3.2Å; A515-T518 PolarHBondContact O-N 2.98Å; A515-T518 PolarHBondContact O-OG1 3.48Å; A516-T518 PolarHBondContact O-N 3.46Å; T518-R521 PolarHBondContact O-N 3.28Å; T518-V522 WeakPolarHBondContact O-CG2 3.32Å
519V94.3Very high91.8Very high3 Ų350.1 Ų50.12%0.01825%0.253CS..Hα-helixtrans-66.8-43.5175170.90000111.2N32 A82 M85 I86 L112 A515 A516 I517 R521 V522N32-V519 HydrophobicContact CB-CG1 3.99Å; A82-V519 HydrophobicContact CB-CG1 4.06Å; A82-V519 HydrophobicContact CB-CG2 4.31Å; M85-V519 HydrophobicContact CB-CG2 4.15Å; I86-V519 HydrophobicContact CG1-CG2 4.44Å; L112-V519 HydrophobicContact CD1-CB 4.44Å; L112-V519 HydrophobicContact CD1-CG1 4.15Å; L112-V519 HydrophobicContact CD2-CB 4.28Å; L112-V519 HydrophobicContact CD2-CG1 4.11Å; A515-V519 WeakPolarHBondContact O-CG2 3.46Å; A515-V519 PolarHBondContact O-N 3.34Å; A516-V519 PolarHBondContact O-N 2.65Å; I517-V519 VanDerWaalsContact C-N 3.3Å; I517-V519 PolarHBondContact O-N 3.01Å; V519-R521 VanDerWaalsContact C-N 3.32Å; V519-R521 PolarHBondContact O-N 2.98Å; V519-V522 PolarHBondContact O-N 3.49Å
520L93.6Very high90.7Very high4 Ų455.3 Ų55.32%0.02129%0.287CS..Hα-helixtrans-66.1-32.7178.3-70.3173.7000112.6V29 I33 L112 A115 V125 V128 I129 Y132 A516 I517 V522V29-L520 HydrophobicContact CG1-CD2 4.34Å; I33-L520 HydrophobicContact CD1-CD2 4.08Å; I33-L520 HydrophobicContact CG1-CD2 4.42Å; L112-L520 HydrophobicContact CD2-CD1 4.33Å; L112-L520 HydrophobicContact CD2-CD2 3.95Å; L112-L520 HydrophobicContact CD2-CG 3.78Å; A115-L520 HydrophobicContact CB-CD1 3.99Å; A115-L520 HydrophobicContact CB-CD2 4.1Å; V125-L520 HydrophobicContact CG1-CB 4.12Å; V125-L520 WeakPolarHBondContact CG1-O 3.49Å; V128-L520 HydrophobicContact CG1-CD1 4.09Å; I129-L520 HydrophobicContact CD1-CB 4.29Å; I129-L520 HydrophobicContact CG1-CB 4.13Å; Y132-L520 HydrophobicContact CD2-CD1 4.45Å; Y132-L520 HydrophobicContact CE2-CD1 4.34Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.11Å; I517-L520 PolarHBondContact O-N 3.35Å; L520-V522 PolarHBondContact O-N 3.46Å
521R92.7Very high89.2Confident143 Ų14355.5 Ų55.554%0.5431%0.311SS..THydrogen-bonded Turntrans-65.5-14.9176.8-78.3179.7179.2164.45.9114.3I129 E133 I517 T518 V519 D523I129-R521 HydrophobicContact CD1-CB 4.48Å; I129-R521 HydrophobicContact CD1-CG 3.48Å; I129-R521 VanDerWaalsContact CD1-CG 3.48Å; I129-R521 HydrophobicContact CG1-CG 4.48Å; E133-R521 IonicContact OE1-CZ 3.91Å; E133-R521 IonicContact OE1-NH2 3.84Å; E133-R521 PolarHBondContact OE1-NH2 2.9Å; I517-R521 HydrophobicContact CG2-CG 4.39Å; I517-R521 WeakPolarHBondContact O-CG 3.44Å; I517-R521 PolarHBondContact O-N 3.08Å; T518-R521 PolarHBondContact O-N 3.28Å; V519-R521 VanDerWaalsContact C-N 3.32Å; V519-R521 PolarHBondContact O-N 2.98Å; R521-D523 PolarHBondContact O-N 2.89Å
522V91Very high87.2Confident57 Ų5757.8 Ų57.835%0.34534%0.34SS..  trans-87108.1-179-179.90000110.2T518 V519 L520 Q524 I525T518-V522 WeakPolarHBondContact O-CG2 3.32Å; V519-V522 PolarHBondContact O-N 3.49Å; L520-V522 PolarHBondContact O-N 3.46Å; V522-Q524 WeakPolarHBondContact CG1-O 3.33Å; V522-I525 HydrophobicContact CG1-CG1 4.23Å
523D87.6Confident85.4Confident95 Ų9560.5 Ų60.551%0.50837%0.368SS..  trans-91.5-24.2176.572-38.2000113.5G24 A28 R521G24-D523 PolarHBondContact N-O 3Å; A28-D523 WeakPolarHBondContact CB-O 3.09Å; R521-D523 PolarHBondContact O-N 2.89Å
524Q86.4Confident83.3Confident83 Ų8366.4 Ų66.439%0.38841%0.407SS..EExtended strand (participates in β ladder)trans-133.9138.7-177.4-65.5176.620.400112.2F22 V522F22-Q524 CarbonylContact O-C 3.57Å; F22-Q524 WeakPolarHBondContact O-CA 3.17Å; V522-Q524 WeakPolarHBondContact CG1-O 3.33Å
525I85.8Confident81.3Confident13 Ų1372.1 Ų72.17%0.06743%0.428CS..EExtended strand (participates in β ladder)trans-120.9119.3176.1-49.2169.5000108.9H21 F22 A28 N32 P81 V522 M527H21-I525 WeakPolarHBondContact CA-O 3.49Å; F22-I525 HydrophobicContact CB-CB 4.35Å; F22-I525 HydrophobicContact CD2-CB 4.43Å; F22-I525 PolarHBondContact N-O 3.46Å; F22-I525 PolarHBondContact O-N 3.46Å; A28-I525 HydrophobicContact CB-CG1 4.44Å; N32-I525 WeakPolarHBondContact OD1-CD1 3.26Å; P81-I525 HydrophobicContact CG-CG2 4.43Å; V522-I525 HydrophobicContact CG1-CG1 4.23Å; I525-M527 HydrophobicContact CG2-CG 3.92Å
526I86.9Confident79.2Confident97 Ų9777.2 Ų77.250%0.49746%0.46SS..EExtended strand (participates in β ladder)trans-109.8110.8174.5-59.7166.1000108F11 L15F11-I526 HydrophobicContact CE1-CD1 4.09Å; F11-I526 HydrophobicContact CZ-CD1 4.35Å; L15-I526 HydrophobicContact CD1-CG2 4.31Å
527M84.3Confident77.1Confident57 Ų5783 Ų8328%0.28150%0.498SS..EExtended strand (participates in β ladder)trans-108119.1176.4-70.6-171-73.700110.2A19 K20 F22 P81 I525A19-M527 CarbonylContact C-O 3.57Å; A19-M527 WeakPolarHBondContact CA-O 3.28Å; K20-M527 HydrophobicContact CB-CB 4.49Å; K20-M527 PolarHBondContact N-O 3.35Å; K20-M527 PolarHBondContact O-N 3.27Å; F22-M527 HydrophobicContact CD2-CE 3.92Å; F22-M527 HydrophobicContact CE2-CE 3.35Å; F22-M527 HydrophobicContact CZ-CE 4.37Å; P81-M527 HydrophobicContact CG-SD 4.28Å; I525-M527 HydrophobicContact CG2-CG 3.92Å
528A83.8Confident75Confident82 Ų8291.6 Ų91.668%0.67854%0.538SS*.PPolyproline II helixtrans-70.9154.2167.100000110.4
529K81Confident72.5Confident156 Ų15692.3 Ų92.368%0.67856%0.556SS**PPolyproline II helixtrans-58.6131168.3-170.2177.7177.4-178.20108.1A531K529-A531 PolarHBondContact O-N 3.15Å
530P73.3Confident70Confident111 Ų11199 Ų9972%0.72159%0.591SS**PPolyproline II helixtrans-52.6137.7172.3-18.928.3000108.4G532P530-G532 PolarHBondContact O-N 3.12Å
531A65.5Low67.8Low110 Ų110110.3 Ų110.391%0.90963%0.633SS**  trans-66.282.2176.600000109K529 G533K529-A531 PolarHBondContact O-N 3.15Å; A531-G533 PolarHBondContact O-N 3.23Å
532G54Low65.8Low72 Ų72110.1 Ų110.174%0.74264%0.643SS**  trans-7382.2168.400000107.7P530P530-G532 PolarHBondContact O-N 3.12Å
533G59.7Low63.6Low56 Ų56116.7 Ų116.758%0.57767%0.667SS**PPolyproline II helixtrans-56145.9152.400000108A531 K535A531-G533 PolarHBondContact O-N 3.23Å; G533-K535 PolarHBondContact O-N 3.4Å
534P50.9Low61.7Low126 Ų126120 Ų12082%0.81869%0.685SS**PPolyproline II helixtrans-51.2136173.220.8-29.9000108.8
535K55.1Low59.8Low192 Ų192123.6 Ų123.684%0.83571%0.707SS**PPolyproline II helixtrans-47.6132.3166.1-81.7-178.8174.1-178.10106.5G533 P537G533-K535 PolarHBondContact O-N 3.4Å; K535-P537 VanDerWaalsContact O-N 3.11Å
536P51.5Low57.7Low111 Ų111130.7 Ų130.772%0.72175%0.745SS**PPolyproline II helixtrans-50.612817420.2-29.3000106.6Q538P536-Q538 PolarHBondContact O-N 3.12Å
537P51.1Low55.4Low122 Ų122137.5 Ų137.579%0.79278%0.783SS**PPolyproline II helixtrans-53.3117.3179.319.2-29000106.6K535 G539K535-P537 VanDerWaalsContact O-N 3.11Å; P537-G539 VanDerWaalsContact C-N 3.31Å; P537-G539 PolarHBondContact O-N 2.62Å
538Q51Low53.9Low184 Ų184141.5 Ų141.586%0.8681%0.808SS**  trans-56.5109.2162.4-84.3175.4-19.800103.8P536 N540P536-Q538 PolarHBondContact O-N 3.12Å; Q538-N540 PolarHBondContact O-N 3.08Å
539G42.2Very low52.4Low65 Ų65144.6 Ų144.667%0.6781%0.814SS**  trans-52.8117.6176.600000107.1P537 R541P537-G539 VanDerWaalsContact C-N 3.31Å; P537-G539 PolarHBondContact O-N 2.62Å; G539-R541 VanDerWaalsContact C-N 3.28Å; G539-R541 PolarHBondContact O-N 3.17Å
540N42.6Very low50.8Low143 Ų143144 Ų14477%0.76582%0.822SS**  trans-53.1103.3162.4-91-0.8000105.9Q538 D542Q538-N540 PolarHBondContact O-N 3.08Å; N540-D542 PolarHBondContact O-N 3.38Å
541R48.4Very low49.4Very low241 Ų241145.9 Ų145.991%0.90983%0.828SS**  trans-7087.4155-79.3-179.4173172.6-2.5104.6G539G539-R541 VanDerWaalsContact C-N 3.28Å; G539-R541 PolarHBondContact O-N 3.17Å
542D49Very low48.4Very low140 Ų140148.2 Ų148.275%0.74982%0.823SS**  trans-169.971.9162.1-82.7-27.3000106.1N540N540-D542 PolarHBondContact O-N 3.38Å
543F46.3Very low48.1Very low194 Ų194153.3 Ų153.385%0.85183%0.828SS**  trans-145.177.4161-92.7-76.7000105.3
544D48Very low47.2Very low165 Ų165160.2 Ų160.288%0.88285%0.846SS**  trans-167.465.5152.6-86.8-20.4000106
545D44.5Very low47Very low158 Ų158162.8 Ų162.885%0.84585%0.848SS**  trans-143.391.8156.5-99.7-20000105
546D43Very low46.3Very low162 Ų162160.4 Ų160.487%0.86685%0.849SS**  trans-163.7105.9154.3-88.9-25.6000107.9
547D37.8Very low45.8Very low240 Ų240164.9 Ų164.9100%1.28386%0.861SS**  trans28.80147.9-67.8-30.5000122.3

Retrieved 547 of 547 residues in 713.2 ms (Link to these results)

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