A0A087YB44_POEFO Loading...

Adhesion G-protein coupled receptor G6

AlphaFold DB , UniProt , Accession A0A087YB44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,147 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
1S33.2Very low72.9Confident169 Ų16993.6 Ų93.6100%1.18255%0.547SS*.  0135.4033.20000107.7I3S1-I3 PolarHBondContact O-N 2.65Å
2S36.5Very low73.7Confident102 Ų10291.5 Ų91.571%0.71355%0.548SS*.  trans-60.6118.4-144.351.40000116.7N4S2-N4 PolarHBondContact O-N 3.24Å
3I50.1Low75.1Confident154 Ų15495.2 Ų95.279%0.7956%0.556SS**  trans-74.9-10.4168.6-65.5166000111.5S1 C5S1-I3 PolarHBondContact O-N 2.65Å; I3-C5 PolarHBondContact O-N 3.28Å
4N63.2Low76.3Confident104 Ų10489.4 Ų89.456%0.55653%0.527SS*.  trans-90.8106.3176.9-168.38.3000111S2 N6S2-N4 PolarHBondContact O-N 3.24Å; N4-N6 PolarHBondContact OD1-N 2.77Å; N4-N6 PolarHBondContact OD1-O 3.24Å
5C78.3Confident77.4Confident13 Ų1391.5 Ų91.59%0.08854%0.535CS..  trans-110.71517761.70000113.1I3 P19 C31 K32 W33I3-C5 PolarHBondContact O-N 3.28Å; C5-P19 HydrophobicContact CB-CG 4.35Å; C5-C31 HydrophobicContact CB-CB 3.5Å; C5-C31 VanDerWaalsContact CB-CB 3.5Å; C5-C31 WeakPolarHBondContact CB-SG 3.38Å; C5-C31 WeakPolarHBondContact SG-CA 3.21Å; C5-C31 WeakPolarHBondContact SG-CB 3.31Å; C5-C31 CovalentContact SG-SG 2.02Å; C5-C31 PolarHBondContact SG-SG 3.17Å; C5-K32 CarbonylContact O-C 3.51Å; C5-K32 PolarHBondContact O-N 3.39Å; C5-K32 VanDerWaalsContact O-O 3.13Å; C5-W33 HydrophobicContact CB-CH2 4.44Å; C5-W33 HydrophobicContact CB-CZ2 3.79Å
6N87.7Confident78.4Confident94 Ų9486.8 Ų86.850%0.50351%0.506SS..EExtended strand (participates in β ladder)trans-106.592.2171.8-70.2-28.1000109.3N4 K32N4-N6 PolarHBondContact OD1-N 2.77Å; N4-N6 PolarHBondContact OD1-O 3.24Å; N6-K32 CarbonylContact C-O 3.52Å; N6-K32 VanDerWaalsContact CA-O 3.22Å; N6-K32 WeakPolarHBondContact CA-O 3.25Å; N6-K32 PolarHBondContact OD1-N 2.88Å
7V88.9Confident79.2Confident53 Ų5385.2 Ų85.232%0.32150%0.498SS..EExtended strand (participates in β ladder)trans-137.1142.9-166.8-172.20000111.6L9 K32 W33 T34V7-L9 HydrophobicContact CB-CD2 4.49Å; V7-L9 HydrophobicContact CG1-CD2 3.77Å; V7-L9 HydrophobicContact CG1-CG 4.42Å; V7-K32 PolarHBondContact N-O 3.05Å; V7-W33 WeakPolarHBondContact O-CA 3.47Å; V7-T34 PolarHBondContact O-N 3.16Å
8V92.3Very high79.8Confident86 Ų8680.5 Ų80.552%0.52147%0.471SS..EExtended strand (participates in β ladder)trans-98.8120.7168.4-175.20000108.8T10 T34V8-T10 HydrophobicContact CG1-CG2 4.25Å; V8-T34 CarbonylContact C-O 3.2Å; V8-T34 VanDerWaalsContact CA-O 3.27Å; V8-T34 WeakPolarHBondContact CA-O 3.12Å
9L90.6Very high79.9Confident32 Ų3277.2 Ų77.217%0.16845%0.452CS..EExtended strand (participates in β ladder)trans-105.7117.3-176.3-57.6172.9000109.3V7 F16 W33 T34 M35 Q36 F110V7-L9 HydrophobicContact CB-CD2 4.49Å; V7-L9 HydrophobicContact CG1-CD2 3.77Å; V7-L9 HydrophobicContact CG1-CG 4.42Å; L9-F16 HydrophobicContact CD1-CD1 3.64Å; L9-F16 HydrophobicContact CD1-CE1 4.11Å; L9-F16 HydrophobicContact CD1-CG 4.31Å; L9-W33 HydrophobicContact CD1-CB 4.41Å; L9-T34 PolarHBondContact N-O 3.4Å; L9-M35 HydrophobicContact CB-CG 4.13Å; L9-M35 HydrophobicContact CD1-CG 4.07Å; L9-M35 CarbonylContact O-C 3.44Å; L9-M35 WeakPolarHBondContact O-CA 3.05Å; L9-Q36 PolarHBondContact O-N 3.15Å; L9-F110 HydrophobicContact CB-CE1 4.21Å; L9-F110 HydrophobicContact CB-CE2 4.28Å; L9-F110 HydrophobicContact CB-CZ 3.77Å; L9-F110 HydrophobicContact CD1-CD1 4.22Å; L9-F110 HydrophobicContact CD1-CE1 3.68Å; L9-F110 HydrophobicContact CD1-CZ 4.14Å; L9-F110 HydrophobicContact CG-CE1 4.44Å; L9-F110 HydrophobicContact CG-CZ 4.45Å
10T91.7Very high80Confident92 Ų9277.6 Ų77.656%0.56446%0.458SS*.  trans-117.20.3-176.455.30000113.7V8 Q36V8-T10 HydrophobicContact CG1-CG2 4.25Å; T10-Q36 HydrophobicContact CG2-CB 4.38Å
11E89.6Confident80.1Confident131 Ų13176.4 Ų76.461%0.61245%0.446SS*.SBendtrans-70150.7-179.6-62-177.7172.500111.4Q13 F110 H112E11-Q13 PolarHBondContact O-N 3.47Å; E11-F110 WeakPolarHBondContact O-CE2 3.09Å; E11-H112 PolarHBondContact O-CE1 2.76Å; E11-H112 PolarHBondContact O-NE2 3.32Å; E11-H112 VanDerWaalsContact O-NE2 3.13Å
12A81.9Confident82.6Confident68 Ų6872.3 Ų72.356%0.56242%0.416SS*.SBendtrans-63.7-27.6-176.200000114Q111 H112A12-Q111 CarbonylContact O-C 3.57Å; A12-Q111 WeakPolarHBondContact O-CA 3.21Å; A12-H112 WeakPolarHBondContact CA-ND1 3.26Å; A12-H112 WeakPolarHBondContact O-CB 3.01Å; A12-H112 PolarHBondContact O-N 2.82Å
13Q92.7Very high84.5Confident139 Ų13974.2 Ų74.265%0.6541%0.413SS*.EExtended strand (participates in β ladder)trans-156.2154.4172.658.9-179.264.900107.7E11 F110 Q111E11-Q13 PolarHBondContact O-N 3.47Å; Q13-F110 CarbonylContact C-O 3.59Å; Q13-F110 WeakPolarHBondContact CA-O 3.37Å; Q13-Q111 HydrophobicContact CB-CB 4.01Å
14G91.8Very high85.6Confident15 Ų1573 Ų7316%0.15540%0.402CS..EExtended strand (participates in β ladder)trans177.9-179.8176.100000112S109 F110G14-S109 CarbonylContact O-C 3.57Å; G14-S109 WeakPolarHBondContact O-CA 3.4Å; G14-F110 PolarHBondContact N-O 2.87Å; G14-F110 WeakPolarHBondContact O-CD1 3.22Å; G14-F110 WeakPolarHBondContact O-CE1 3.36Å; G14-F110 PolarHBondContact O-N 2.93Å
15D92.9Very high86.4Confident121 Ų12168.2 Ų68.265%0.64738%0.376SS*.EExtended strand (participates in β ladder)trans-131.8147.8-176-36-48.5000110.2V108 S109D15-V108 CarbonylContact C-O 3.47Å; D15-V108 WeakPolarHBondContact CA-O 3.47Å; D15-S109 WeakPolarHBondContact OD1-CB 3.4Å
16F92.6Very high85.9Confident16 Ų1669.4 Ų69.47%0.0738%0.384CS..EExtended strand (participates in β ladder)trans-142.8155.2169.564.9-89.4000111.1L9 W33 M35 L45 V93 F106 V108 F110L9-F16 HydrophobicContact CD1-CD1 3.64Å; L9-F16 HydrophobicContact CD1-CE1 4.11Å; L9-F16 HydrophobicContact CD1-CG 4.31Å; F16-W33 HydrophobicContact CD2-CB 4.41Å; F16-W33 AromaticContact CD2-CD1 3.72Å; F16-W33 AromaticContact CD2-CD2 3.55Å; F16-W33 HydrophobicContact CD2-CD2 3.55Å; F16-W33 AromaticContact CD2-CE2 3.55Å; F16-W33 HydrophobicContact CD2-CE3 4.14Å; F16-W33 AromaticContact CD2-CG 3.66Å; F16-W33 HydrophobicContact CD2-CG 3.66Å; F16-W33 HydrophobicContact CD2-CZ2 4.12Å; F16-W33 AromaticContact CD2-NE1 3.64Å; F16-W33 HydrophobicContact CE1-CB 4.41Å; F16-W33 HydrophobicContact CE2-CB 4.04Å; F16-W33 AromaticContact CE2-CD2 3.5Å; F16-W33 HydrophobicContact CE2-CD2 3.5Å; F16-W33 VanDerWaalsContact CE2-CD2 3.5Å; F16-W33 AromaticContact CE2-CE2 3.99Å; F16-W33 AromaticContact CE2-CE3 3.7Å; F16-W33 HydrophobicContact CE2-CE3 3.7Å; F16-W33 AromaticContact CE2-CG 3.66Å; F16-W33 HydrophobicContact CE2-CG 3.66Å; F16-W33 HydrophobicContact CE2-CZ3 4.34Å; F16-W33 AromaticContact CG-CD1 3.89Å; F16-W33 HydrophobicContact CG-CD2 4.46Å; F16-W33 HydrophobicContact CG-CG 4.15Å; F16-W33 HydrophobicContact CZ-CB 4.04Å; F16-W33 HydrophobicContact CZ-CD2 4.37Å; F16-W33 HydrophobicContact CZ-CG 4.15Å; F16-M35 HydrophobicContact CE1-CE 4.48Å; F16-M35 HydrophobicContact CE1-SD 4.06Å; F16-L45 HydrophobicContact CZ-CD1 4.37Å; F16-V93 HydrophobicContact CE2-CG1 4.42Å; F16-V93 HydrophobicContact CZ-CB 4.27Å; F16-V93 HydrophobicContact CZ-CG1 4.41Å; F16-V93 HydrophobicContact CZ-CG2 4.26Å; F16-F106 HydrophobicContact CD2-CE2 4.45Å; F16-F106 HydrophobicContact CE2-CE2 4.14Å; F16-V108 HydrophobicContact CD1-CB 4.41Å; F16-V108 HydrophobicContact CD1-CG1 4.34Å; F16-V108 HydrophobicContact CD2-CB 4.41Å; F16-V108 HydrophobicContact CE1-CB 4.02Å; F16-V108 HydrophobicContact CE1-CG1 3.61Å; F16-V108 HydrophobicContact CE2-CB 4.02Å; F16-V108 HydrophobicContact CE2-CG1 4.32Å; F16-V108 HydrophobicContact CE2-CG2 4.33Å; F16-V108 HydrophobicContact CZ-CB 3.81Å; F16-V108 HydrophobicContact CZ-CG1 3.6Å; F16-V108 HydrophobicContact CZ-CG2 4.33Å; F16-V108 PolarHBondContact N-O 3.42Å; F16-V108 PolarHBondContact O-N 2.57Å; F16-F110 HydrophobicContact CD1-CD1 4.09Å; F16-F110 HydrophobicContact CD1-CE1 4.47Å; F16-F110 HydrophobicContact CE1-CD1 4.25Å
17T92.3Very high84.8Confident60 Ų6067 Ų6737%0.36837%0.371SS..EExtended strand (participates in β ladder)trans-124.6158.8-177.669.70000111.3Y21 F106T17-Y21 HydrophobicContact CG2-CD1 3.98Å; T17-Y21 HydrophobicContact CG2-CG 4.41Å; T17-F106 CarbonylContact C-O 3.47Å; T17-F106 VanDerWaalsContact CA-O 3.3Å; T17-F106 WeakPolarHBondContact CA-O 3.29Å
18S90.1Very high83.7Confident0 Ų068.3 Ų68.30%038%0.382CS..  trans-57.6154.4162.860.60000110.3C20 Y21 G105 F106S18-C20 PolarHBondContact O-N 3.42Å; S18-Y21 WeakPolarHBondContact O-CB 3.43Å; S18-Y21 PolarHBondContact O-N 3.18Å; S18-G105 WeakPolarHBondContact OG-CA 3.34Å; S18-F106 PolarHBondContact N-O 3.39Å; S18-F106 PolarHBondContact OG-N 2.83Å
19P82.3Confident82.6Confident17 Ų1767.4 Ų67.411%0.1137%0.372CS..THydrogen-bonded Turntrans-55140.6176.7-22.131.9000111.1C5 Y21 P26 C31C5-P19 HydrophobicContact CB-CG 4.35Å; P19-Y21 PolarHBondContact O-N 3.22Å; P19-Y21 VanDerWaalsContact O-N 3.09Å; P19-P26 HydrophobicContact CB-CG 4.12Å; P19-C31 VanDerWaalsContact CG-SG 3.59Å
20C80.7Confident82.2Confident86 Ų8668.7 Ų68.758%0.58138%0.382SS*.THydrogen-bonded Turntrans66.4-2178.5-55.90000116.8S18 Q23S18-C20 PolarHBondContact O-N 3.42Å; C20-Q23 CarbonylContact C-O 3.52Å; C20-Q23 HydrophobicContact CB-CB 4.43Å; C20-Q23 CarbonylContact O-C 3.46Å; C20-Q23 VanDerWaalsContact O-CA 3.31Å; C20-Q23 WeakPolarHBondContact O-CA 3.07Å; C20-Q23 WeakPolarHBondContact O-CB 3.31Å; C20-Q23 PolarHBondContact O-N 3.16Å
21Y82.5Confident82Confident53 Ų5364.3 Ų64.321%0.20836%0.355CS..THydrogen-bonded Turntrans-51.6134.9176.5-173.6-87.8000111.6T17 S18 P19 D49 K104 T107T17-Y21 HydrophobicContact CG2-CD1 3.98Å; T17-Y21 HydrophobicContact CG2-CG 4.41Å; S18-Y21 WeakPolarHBondContact O-CB 3.43Å; S18-Y21 PolarHBondContact O-N 3.18Å; P19-Y21 PolarHBondContact O-N 3.22Å; P19-Y21 VanDerWaalsContact O-N 3.09Å; Y21-D49 WeakPolarHBondContact OH-CB 3.34Å; Y21-D49 PolarHBondContact OH-OD2 2.63Å; Y21-K104 HydrophobicContact CD2-CG 4.46Å; Y21-K104 VanDerWaalsContact CD2-O 3.3Å; Y21-K104 WeakPolarHBondContact CD2-O 3.36Å; Y21-K104 HydrophobicContact CE2-CD 4.28Å; Y21-K104 HydrophobicContact CE2-CG 4.05Å; Y21-T107 HydrophobicContact CE1-CG2 4.09Å
22P86.6Confident82.1Confident83 Ų8361.9 Ų61.954%0.53934%0.342SS..THydrogen-bonded Turncis-86.54.88.236.1-37.8000115K104P22-K104 WeakPolarHBondContact O-CG 3.31Å
23Q75.3Confident82.7Confident141 Ų14159.2 Ų59.266%0.65932%0.318SS*.SBendtrans-73.3163.5169.3-57.8-62-29.100110.1C20 Y25C20-Q23 CarbonylContact C-O 3.52Å; C20-Q23 HydrophobicContact CB-CB 4.43Å; C20-Q23 CarbonylContact O-C 3.46Å; C20-Q23 VanDerWaalsContact O-CA 3.31Å; C20-Q23 WeakPolarHBondContact O-CA 3.07Å; C20-Q23 WeakPolarHBondContact O-CB 3.31Å; C20-Q23 PolarHBondContact O-N 3.16Å; Q23-Y25 PolarHBondContact O-N 3.17Å
24K74.6Confident82.8Confident130 Ų13053.7 Ų53.757%0.56529%0.293SS*.PPolyproline II helixtrans-58.2137.9-179.2-65.3-180176.6-173.90111.5Q102 K103K24-Q102 HydrophobicContact CB-CB 3.87Å; K24-Q102 HydrophobicContact CD-CB 4.28Å; K24-Q102 WeakPolarHBondContact CD-O 3.43Å; K24-Q102 HydrophobicContact CG-CB 4.47Å; K24-K103 WeakPolarHBondContact CA-O 3.36Å
25Y79.3Confident82.9Confident2 Ų253 Ų531%0.00829%0.286CS..PPolyproline II helixtrans-66.3152.9175.250.5-98.8000111.1Q23 L52 E53 D61 F95 Q102 K103 G105Q23-Y25 PolarHBondContact O-N 3.17Å; Y25-L52 HydrophobicContact CE1-CD1 4.43Å; Y25-L52 HydrophobicContact CE1-CG 4.31Å; Y25-E53 PolarHBondContact OH-N 2.89Å; Y25-E53 VanDerWaalsContact OH-N 3.13Å; Y25-D61 WeakPolarHBondContact CE2-OD2 3.34Å; Y25-D61 PolarHBondContact OH-OD2 3.08Å; Y25-F95 HydrophobicContact CD1-CZ 4.16Å; Y25-F95 HydrophobicContact CD2-CE1 4.34Å; Y25-F95 AromaticContact CD2-CZ 3.67Å; Y25-F95 HydrophobicContact CD2-CZ 3.67Å; Y25-F95 HydrophobicContact CE1-CZ 4.45Å; Y25-F95 HydrophobicContact CE2-CZ 4.01Å; Y25-F95 HydrophobicContact CG-CE1 4.23Å; Y25-F95 AromaticContact CG-CZ 3.76Å; Y25-F95 HydrophobicContact CG-CZ 3.76Å; Y25-Q102 HydrophobicContact CD2-CB 4.04Å; Y25-Q102 HydrophobicContact CD2-CG 4.38Å; Y25-Q102 HydrophobicContact CE2-CB 3.93Å; Y25-Q102 HydrophobicContact CE2-CG 4.39Å; Y25-Q102 WeakPolarHBondContact O-CB 3.44Å; Y25-Q102 WeakPolarHBondContact O-CG 3.3Å; Y25-K103 WeakPolarHBondContact CD1-O 3.28Å; Y25-K103 VanDerWaalsContact CE1-C 3.5Å; Y25-K103 HydrophobicContact CE1-CB 3.88Å; Y25-K103 VanDerWaalsContact CE1-O 3.22Å; Y25-K103 WeakPolarHBondContact CE1-O 3.07Å; Y25-K103 PolarHBondContact N-O 3.08Å; Y25-K103 PolarHBondContact OH-N 3.21Å; Y25-K103 VanDerWaalsContact OH-N 3.17Å; Y25-G105 VanDerWaalsContact CD1-CA 3.45Å
26P67.2Low82.9Confident39 Ų3951.7 Ų51.725%0.25328%0.276SS..PPolyproline II helixtrans-74153.3176.531-35.8000112.3P19 H29 S97P19-P26 HydrophobicContact CB-CG 4.12Å; P26-H29 VanDerWaalsContact CB-CD2 3.49Å; P26-H29 WeakPolarHBondContact CB-CD2 3.5Å; P26-H29 HydrophobicContact CG-CB 4.27Å; P26-H29 WeakPolarHBondContact CG-CD2 3.5Å; P26-S97 PolarHBondContact O-OG 2.81Å
27N64Low82.6Confident42 Ų4251 Ų5123%0.22527%0.274CS..THydrogen-bonded Turntrans-70.1155.8175.2-67.4-40.9000112.9H29 D98 F99 S100 Q102N27-H29 PolarHBondContact O-CD2 3.43Å; N27-H29 PolarHBondContact O-N 3.24Å; N27-H29 VanDerWaalsContact O-N 3.16Å; N27-D98 CarbonylContact C-O 3.5Å; N27-D98 WeakPolarHBondContact CA-O 3.19Å; N27-D98 WeakPolarHBondContact CB-O 3.34Å; N27-F99 VanDerWaalsContact CG-O 3.26Å; N27-F99 PolarHBondContact ND2-O 2.88Å; N27-S100 WeakPolarHBondContact OD1-CA 3.3Å; N27-S100 PolarHBondContact OD1-N 3.33Å; N27-Q102 PolarHBondContact ND2-NE2 2.95Å; N27-Q102 VanDerWaalsContact OD1-CD 3.27Å; N27-Q102 WeakPolarHBondContact OD1-CG 3.06Å; N27-Q102 PolarHBondContact OD1-NE2 2.91Å
28S66.1Low82Confident81 Ų8151.5 Ų51.557%0.56628%0.278SS*.THydrogen-bonded Turntrans54.732.4170.9-51.80000113.6S97 D98S28-S97 VanDerWaalsContact CA-O 3.27Å; S28-S97 WeakPolarHBondContact CA-O 3.47Å; S28-S97 PolarHBondContact N-O 2.81Å; S28-S97 PolarHBondContact N-OG 2.81Å; S28-S97 VanDerWaalsContact N-OG 3.09Å; S28-D98 PolarHBondContact N-O 2.78Å
29H69.4Low81.1Confident67 Ų6756.1 Ų56.131%0.3131%0.306SS..  trans-98.3140.6176.5-97.7-90.9000111.8P26 N27 I96 S97P26-H29 VanDerWaalsContact CB-CD2 3.49Å; P26-H29 WeakPolarHBondContact CB-CD2 3.5Å; P26-H29 HydrophobicContact CG-CB 4.27Å; P26-H29 WeakPolarHBondContact CG-CD2 3.5Å; N27-H29 PolarHBondContact O-CD2 3.43Å; N27-H29 PolarHBondContact O-N 3.24Å; N27-H29 VanDerWaalsContact O-N 3.16Å; H29-I96 WeakPolarHBondContact O-CA 3.1Å; H29-S97 PolarHBondContact N-OG 2.88Å; H29-S97 PolarHBondContact O-N 2.84Å; H29-S97 PolarHBondContact O-OG 3.02Å
30T82.7Confident80.4Confident59 Ų5956.8 Ų56.836%0.36232%0.316SS..EExtended strand (participates in β ladder)trans-120.4125171.4-56.90000108.6F95 I96T30-F95 CarbonylContact C-O 3.55Å; T30-F95 WeakPolarHBondContact CA-O 3.3Å; T30-I96 HydrophobicContact CG2-CG1 4.22Å
31C86.8Confident80.3Confident0 Ų056.5 Ų56.50%031%0.305CS..EExtended strand (participates in β ladder)trans-128.1145.1-179.6-65.10000110.5C5 P19 W33 S94 F95C5-C31 HydrophobicContact CB-CB 3.5Å; C5-C31 VanDerWaalsContact CB-CB 3.5Å; C5-C31 WeakPolarHBondContact CB-SG 3.38Å; C5-C31 WeakPolarHBondContact SG-CA 3.21Å; C5-C31 WeakPolarHBondContact SG-CB 3.31Å; C5-C31 CovalentContact SG-SG 2.02Å; C5-C31 PolarHBondContact SG-SG 3.17Å; P19-C31 VanDerWaalsContact CG-SG 3.59Å; C31-W33 HydrophobicContact CB-CE3 4.35Å; C31-W33 HydrophobicContact CB-CH2 3.36Å; C31-W33 HydrophobicContact CB-CZ2 3.91Å; C31-W33 HydrophobicContact CB-CZ3 3.61Å; C31-S94 CarbonylContact O-C 3.56Å; C31-S94 VanDerWaalsContact O-CA 3.27Å; C31-S94 WeakPolarHBondContact O-CA 3.24Å; C31-F95 HydrophobicContact CB-CB 4.27Å; C31-F95 HydrophobicContact CB-CD1 4.47Å; C31-F95 PolarHBondContact N-O 2.85Å; C31-F95 PolarHBondContact O-N 3.31Å
32K92.6Very high80.5Confident81 Ų8155.5 Ų55.535%0.35230%0.303SS..EExtended strand (participates in β ladder)trans-138.5119.4179.5-173.9174.2-179.5172.40111.5C5 N6 V7 E92 V93C5-K32 CarbonylContact O-C 3.51Å; C5-K32 PolarHBondContact O-N 3.39Å; C5-K32 VanDerWaalsContact O-O 3.13Å; N6-K32 CarbonylContact C-O 3.52Å; N6-K32 VanDerWaalsContact CA-O 3.22Å; N6-K32 WeakPolarHBondContact CA-O 3.25Å; N6-K32 PolarHBondContact OD1-N 2.88Å; V7-K32 PolarHBondContact N-O 3.05Å; K32-E92 WeakPolarHBondContact CE-OE1 3.46Å; K32-E92 WeakPolarHBondContact CE-OE2 3.28Å; K32-E92 IonicContact NZ-OE1 3.74Å; K32-E92 PolarHBondContact NZ-OE1 3.27Å; K32-E92 IonicContact NZ-OE2 3.63Å; K32-E92 PolarHBondContact NZ-OE2 2.94Å; K32-V93 WeakPolarHBondContact CA-O 3.26Å
33W95.1Very high80.7Confident11 Ų1151.6 Ų51.64%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-110.3116.9172.2-58.3-90.7000109.6C5 V7 L9 F16 C31 E92 V93 F95 F106C5-W33 HydrophobicContact CB-CH2 4.44Å; C5-W33 HydrophobicContact CB-CZ2 3.79Å; V7-W33 WeakPolarHBondContact O-CA 3.47Å; L9-W33 HydrophobicContact CD1-CB 4.41Å; F16-W33 HydrophobicContact CD2-CB 4.41Å; F16-W33 AromaticContact CD2-CD1 3.72Å; F16-W33 AromaticContact CD2-CD2 3.55Å; F16-W33 HydrophobicContact CD2-CD2 3.55Å; F16-W33 AromaticContact CD2-CE2 3.55Å; F16-W33 HydrophobicContact CD2-CE3 4.14Å; F16-W33 AromaticContact CD2-CG 3.66Å; F16-W33 HydrophobicContact CD2-CG 3.66Å; F16-W33 HydrophobicContact CD2-CZ2 4.12Å; F16-W33 AromaticContact CD2-NE1 3.64Å; F16-W33 HydrophobicContact CE1-CB 4.41Å; F16-W33 HydrophobicContact CE2-CB 4.04Å; F16-W33 AromaticContact CE2-CD2 3.5Å; F16-W33 HydrophobicContact CE2-CD2 3.5Å; F16-W33 VanDerWaalsContact CE2-CD2 3.5Å; F16-W33 AromaticContact CE2-CE2 3.99Å; F16-W33 AromaticContact CE2-CE3 3.7Å; F16-W33 HydrophobicContact CE2-CE3 3.7Å; F16-W33 AromaticContact CE2-CG 3.66Å; F16-W33 HydrophobicContact CE2-CG 3.66Å; F16-W33 HydrophobicContact CE2-CZ3 4.34Å; F16-W33 AromaticContact CG-CD1 3.89Å; F16-W33 HydrophobicContact CG-CD2 4.46Å; F16-W33 HydrophobicContact CG-CG 4.15Å; F16-W33 HydrophobicContact CZ-CB 4.04Å; F16-W33 HydrophobicContact CZ-CD2 4.37Å; F16-W33 HydrophobicContact CZ-CG 4.15Å; C31-W33 HydrophobicContact CB-CE3 4.35Å; C31-W33 HydrophobicContact CB-CH2 3.36Å; C31-W33 HydrophobicContact CB-CZ2 3.91Å; C31-W33 HydrophobicContact CB-CZ3 3.61Å; W33-E92 WeakPolarHBondContact O-CA 3.45Å; W33-V93 HydrophobicContact CE3-CB 4.39Å; W33-V93 HydrophobicContact CE3-CG1 4.18Å; W33-V93 PolarHBondContact N-O 3.14Å; W33-V93 PolarHBondContact O-N 3.43Å; W33-F95 HydrophobicContact CH2-CB 4.16Å; W33-F95 HydrophobicContact CZ3-CB 3.76Å; W33-F106 HydrophobicContact CH2-CE2 4.03Å; W33-F106 AromaticContact CH2-CZ 3.64Å; W33-F106 HydrophobicContact CH2-CZ 3.64Å; W33-F106 HydrophobicContact CZ3-CE2 4.06Å; W33-F106 AromaticContact CZ3-CZ 3.65Å; W33-F106 HydrophobicContact CZ3-CZ 3.65Å
34T94.2Very high81.5Confident23 Ų2347.1 Ų47.114%0.14126%0.257CS..EExtended strand (participates in β ladder)trans-104.8108.3175.1-61.70000108.5V7 V8 L9 V90 E92V7-T34 PolarHBondContact O-N 3.16Å; V8-T34 CarbonylContact C-O 3.2Å; V8-T34 VanDerWaalsContact CA-O 3.27Å; V8-T34 WeakPolarHBondContact CA-O 3.12Å; L9-T34 PolarHBondContact N-O 3.4Å; T34-V90 HydrophobicContact CG2-CG1 3.95Å; T34-E92 HydrophobicContact CG2-CG 4.19Å; T34-E92 PolarHBondContact OG1-OE1 3.22Å; T34-E92 VanDerWaalsContact OG1-OE1 3.1Å
35M94.3Very high82.5Confident0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-87.1131.8173.5-67152.7-75.200109L9 F16 I43 L45 V90 M91 V93 F110L9-M35 HydrophobicContact CB-CG 4.13Å; L9-M35 HydrophobicContact CD1-CG 4.07Å; L9-M35 CarbonylContact O-C 3.44Å; L9-M35 WeakPolarHBondContact O-CA 3.05Å; F16-M35 HydrophobicContact CE1-CE 4.48Å; F16-M35 HydrophobicContact CE1-SD 4.06Å; M35-I43 HydrophobicContact CB-CD1 3.69Å; M35-I43 HydrophobicContact CB-CG1 4.34Å; M35-I43 HydrophobicContact CB-CG2 4.09Å; M35-I43 WeakPolarHBondContact O-CD1 3.46Å; M35-I43 HydrophobicContact SD-CG2 3.91Å; M35-L45 HydrophobicContact CE-CD1 3.67Å; M35-L45 HydrophobicContact SD-CD1 4.01Å; M35-V90 WeakPolarHBondContact O-CA 3.41Å; M35-M91 HydrophobicContact CE-CB 3.93Å; M35-M91 HydrophobicContact CE-CG 3.84Å; M35-M91 HydrophobicContact CE-SD 3.97Å; M35-M91 PolarHBondContact N-O 3.23Å; M35-M91 PolarHBondContact O-N 2.96Å; M35-V93 HydrophobicContact CE-CG2 3.57Å; M35-F110 HydrophobicContact CG-CB 4.38Å; M35-F110 HydrophobicContact CG-CD1 4.33Å; M35-F110 HydrophobicContact CG-CD2 3.96Å; M35-F110 HydrophobicContact CG-CE2 4.36Å; M35-F110 HydrophobicContact CG-CG 3.96Å; M35-F110 HydrophobicContact SD-CB 3.46Å; M35-F110 WeakPolarHBondContact SD-CB 3.35Å; M35-F110 HydrophobicContact SD-CD1 4.19Å; M35-F110 HydrophobicContact SD-CD2 4.15Å; M35-F110 HydrophobicContact SD-CG 3.67Å
36Q91.9Very high83.1Confident94 Ų9442 Ų4244%0.43924%0.238SC..EExtended strand (participates in β ladder)trans-132.1111.1-177.9-178.5169.919.600111.2L9 T10 V90L9-Q36 PolarHBondContact O-N 3.15Å; T10-Q36 HydrophobicContact CG2-CB 4.38Å; Q36-V90 HydrophobicContact CG-CG2 4.22Å
37A86.2Confident84.5Confident2 Ų240.3 Ų40.32%0.01723%0.226CC..PPolyproline II helixtrans-91.5155.1175.700000112F41 I43 N89A37-F41 HydrophobicContact CB-CB 3.92Å; A37-I43 HydrophobicContact CB-CD1 4.28Å; A37-I43 HydrophobicContact CB-CG1 3.9Å; A37-N89 HydrophobicContact CB-CB 4.27Å; A37-N89 PolarHBondContact N-O 3.22Å; A37-N89 WeakPolarHBondContact O-CB 3.47Å; A37-N89 PolarHBondContact O-ND2 3.05Å
38P80.4Confident85.9Confident71 Ų7143.3 Ų43.346%0.46124%0.242SC..PPolyproline II helixtrans-65.5160.4169.426.2-31.1000111.6G40 F41P38-G40 PolarHBondContact O-N 2.96Å; P38-F41 HydrophobicContact CG-CD2 3.79Å; P38-F41 HydrophobicContact CG-CE2 4.26Å; P38-F41 HydrophobicContact CG-CG 4.4Å; P38-F41 PolarHBondContact O-N 3.44Å
39T70.5Confident87.2Confident97 Ų9740.1 Ų40.160%0.59522%0.219SC*.THydrogen-bonded Turntrans-58.8133.1176.530.10000111.6
40G67.9Low88.5Confident31 Ų3137 Ų3732%0.3220%0.204SC..THydrogen-bonded Turntrans98.6-4.2-174.200000114.3P38 V115P38-G40 PolarHBondContact O-N 2.96Å; G40-V115 PolarHBondContact O-N 3.23Å
41F78.6Confident89.1Confident79 Ų7937.5 Ų37.535%0.34620%0.202SC..EExtended strand (participates in β ladder)trans-118.7148.1175.5-66.6-100.3000111.1A37 P38 N89 H112 V113 A114A37-F41 HydrophobicContact CB-CB 3.92Å; P38-F41 HydrophobicContact CG-CD2 3.79Å; P38-F41 HydrophobicContact CG-CE2 4.26Å; P38-F41 HydrophobicContact CG-CG 4.4Å; P38-F41 PolarHBondContact O-N 3.44Å; F41-N89 WeakPolarHBondContact O-CA 3Å; F41-N89 WeakPolarHBondContact O-CB 3.3Å; F41-H112 HydrophobicContact CB-CB 4.29Å; F41-H112 HydrophobicContact CD1-CB 3.85Å; F41-H112 HydrophobicContact CG-CB 4.33Å; F41-V113 CarbonylContact C-O 3.47Å; F41-V113 WeakPolarHBondContact CA-O 3.45Å; F41-A114 HydrophobicContact CD1-CB 4.02Å; F41-A114 HydrophobicContact CE1-CB 3.75Å; F41-A114 HydrophobicContact CZ-CB 4.31Å
42I86.8Confident89.5Confident33 Ų3337.6 Ų37.617%0.16920%0.203CC..EExtended strand (participates in β ladder)trans-107168.8162.657.5169.5000108.8N85 S86 H112 V113 V115I42-N85 HydrophobicContact CD1-CB 4.33Å; I42-S86 WeakPolarHBondContact CG2-O 3.47Å; I42-H112 CarbonylContact O-C 3.55Å; I42-H112 WeakPolarHBondContact O-CA 3.46Å; I42-V113 HydrophobicContact CG1-CB 4.07Å; I42-V113 WeakPolarHBondContact CG1-O 3.46Å; I42-V113 PolarHBondContact N-O 2.93Å; I42-V113 PolarHBondContact O-N 3.11Å; I42-V115 HydrophobicContact CG2-CG2 3.78Å
43I91.1Very high89.3Confident0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-106.4125.5178.4-64.8151.3000107.3M35 A37 N85 S86 M91 F110M35-I43 HydrophobicContact CB-CD1 3.69Å; M35-I43 HydrophobicContact CB-CG1 4.34Å; M35-I43 HydrophobicContact CB-CG2 4.09Å; M35-I43 WeakPolarHBondContact O-CD1 3.46Å; M35-I43 HydrophobicContact SD-CG2 3.91Å; A37-I43 HydrophobicContact CB-CD1 4.28Å; A37-I43 HydrophobicContact CB-CG1 3.9Å; I43-N85 CarbonylContact O-C 3.55Å; I43-N85 WeakPolarHBondContact O-CA 3.38Å; I43-S86 PolarHBondContact N-OG 3.45Å; I43-S86 PolarHBondContact O-N 2.9Å; I43-S86 PolarHBondContact O-OG 2.92Å; I43-M91 HydrophobicContact CB-CB 4.14Å; I43-M91 HydrophobicContact CB-CE 4.45Å; I43-M91 HydrophobicContact CD1-CB 3.93Å; I43-M91 HydrophobicContact CG2-CB 4.1Å; I43-M91 HydrophobicContact CG2-CE 4.33Å; I43-M91 HydrophobicContact CG2-SD 4.23Å; I43-M91 VanDerWaalsContact O-CE 3.32Å; I43-M91 WeakPolarHBondContact O-CE 3.29Å; I43-F110 HydrophobicContact CG2-CB 4.36Å
44Q91.7Very high89Confident48 Ų4840.9 Ų40.922%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-101.5127.7166.7176.6169.98500108.5T83 L84 N85 F110 Q111 V113Q44-T83 HydrophobicContact CG-CG2 3.55Å; Q44-L84 CarbonylContact C-O 3.58Å; Q44-L84 WeakPolarHBondContact CA-O 3.36Å; Q44-N85 WeakPolarHBondContact CB-OD1 3.21Å; Q44-N85 VanDerWaalsContact CG-OD1 3.26Å; Q44-N85 WeakPolarHBondContact CG-OD1 3.02Å; Q44-N85 PolarHBondContact NE2-OD1 2.65Å; Q44-F110 CarbonylContact O-C 3.55Å; Q44-F110 VanDerWaalsContact O-CA 3.26Å; Q44-F110 WeakPolarHBondContact O-CA 3.28Å; Q44-Q111 HydrophobicContact CB-CG 4.09Å; Q44-Q111 PolarHBondContact N-O 2.96Å; Q44-Q111 PolarHBondContact O-N 2.74Å; Q44-V113 HydrophobicContact CB-CG2 3.63Å
45L95.1Very high88.4Confident0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-116.7134.9-179.9177.7145.4000109.5F16 M35 F47 T83 L84 M91 V93 V108F16-L45 HydrophobicContact CZ-CD1 4.37Å; M35-L45 HydrophobicContact CE-CD1 3.67Å; M35-L45 HydrophobicContact SD-CD1 4.01Å; L45-F47 HydrophobicContact CD2-CD2 3.73Å; L45-F47 HydrophobicContact CD2-CE2 3.46Å; L45-F47 VanDerWaalsContact CD2-CE2 3.46Å; L45-F47 HydrophobicContact CD2-CZ 4.04Å; L45-T83 CarbonylContact O-C 3.17Å; L45-T83 WeakPolarHBondContact O-CA 3.38Å; L45-L84 PolarHBondContact N-O 3.5Å; L45-L84 PolarHBondContact O-N 3.37Å; L45-M91 HydrophobicContact CB-CE 4.21Å; L45-M91 HydrophobicContact CB-SD 3.55Å; L45-M91 VanDerWaalsContact CB-SD 3.55Å; L45-M91 HydrophobicContact CD1-SD 3.81Å; L45-M91 HydrophobicContact CG-SD 4.27Å; L45-V93 HydrophobicContact CD1-CG2 3.46Å; L45-V93 VanDerWaalsContact CD1-CG2 3.46Å; L45-V108 HydrophobicContact CD1-CG1 3.57Å; L45-V108 HydrophobicContact CD2-CG1 3.95Å; L45-V108 HydrophobicContact CG-CG1 3.47Å; L45-V108 VanDerWaalsContact CG-CG1 3.47Å
46S93.6Very high87.6Confident24 Ų2448.4 Ų48.417%0.16826%0.257CS..EExtended strand (participates in β ladder)trans-130.3129.4176.4-58.30000111.3L48 L82 T83 V108 S109S46-L48 PolarHBondContact O-N 2.68Å; S46-L82 WeakPolarHBondContact CA-O 3.28Å; S46-T83 WeakPolarHBondContact OG-CG2 3.12Å; S46-T83 PolarHBondContact OG-OG1 3Å; S46-V108 WeakPolarHBondContact O-CA 3.16Å; S46-S109 PolarHBondContact N-O 3.21Å; S46-S109 PolarHBondContact O-N 2.93Å
47F96Very high86.9Confident3 Ų349.6 Ų49.61%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-83.4104.5172.9-74.2-85.3000110L45 F50 V63 V65 A79 G81 L82 L84 F106 V108L45-F47 HydrophobicContact CD2-CD2 3.73Å; L45-F47 HydrophobicContact CD2-CE2 3.46Å; L45-F47 VanDerWaalsContact CD2-CE2 3.46Å; L45-F47 HydrophobicContact CD2-CZ 4.04Å; F47-F50 HydrophobicContact CD1-CB 4.39Å; F47-F50 AromaticContact CD1-CD2 3.59Å; F47-F50 HydrophobicContact CD1-CD2 3.59Å; F47-F50 HydrophobicContact CD1-CE2 4.31Å; F47-F50 HydrophobicContact CD1-CG 4.37Å; F47-F50 AromaticContact CE1-CD2 3.68Å; F47-F50 HydrophobicContact CE1-CD2 3.68Å; F47-F50 AromaticContact CE1-CE2 3.94Å; F47-F50 HydrophobicContact CE1-CE2 3.94Å; F47-F50 HydrophobicContact CG-CD2 4.48Å; F47-V63 HydrophobicContact CE1-CG1 4.31Å; F47-V63 HydrophobicContact CZ-CG1 4.02Å; F47-V65 HydrophobicContact CE2-CG2 4.2Å; F47-V65 HydrophobicContact CZ-CG2 4Å; F47-A79 WeakPolarHBondContact CB-O 3.2Å; F47-A79 HydrophobicContact CD1-CB 4.3Å; F47-A79 HydrophobicContact CD2-CB 3.91Å; F47-A79 HydrophobicContact CE1-CB 4.42Å; F47-A79 HydrophobicContact CE2-CB 4.03Å; F47-A79 HydrophobicContact CG-CB 4.05Å; F47-A79 HydrophobicContact CZ-CB 4.29Å; F47-G81 WeakPolarHBondContact O-CA 3.16Å; F47-G81 PolarHBondContact O-N 2.86Å; F47-L82 HydrophobicContact CD2-CB 4.39Å; F47-L82 PolarHBondContact N-O 2.92Å; F47-L84 HydrophobicContact CE2-CD1 4.48Å; F47-F106 HydrophobicContact CD1-CB 4.46Å; F47-V108 HydrophobicContact CD1-CG2 3.38Å; F47-V108 HydrophobicContact CE1-CG2 3.45Å; F47-V108 VanDerWaalsContact CE1-CG2 3.45Å; F47-V108 HydrophobicContact CG-CG2 4.12Å; F47-V108 HydrophobicContact CZ-CG2 4.25Å
48L93.5Very high86.9Confident105 Ų10550.2 Ų50.255%0.5527%0.27SS..EExtended strand (participates in β ladder)trans-73.2-35.1179.3-56.5178.2000111.5S46 T107S46-L48 PolarHBondContact O-N 2.68Å; L48-T107 HydrophobicContact CB-CG2 3.72Å; L48-T107 PolarHBondContact N-O 2.91Å
49D93.9Very high86.6Confident15 Ų1549.5 Ų49.58%0.0826%0.261CS..EExtended strand (participates in β ladder)trans-150.9143.6174.8-161.824.3000108.9Y21 R80 K104 F106 T107Y21-D49 WeakPolarHBondContact OH-CB 3.34Å; Y21-D49 PolarHBondContact OH-OD2 2.63Å; D49-R80 IonicContact OD1-CZ 2.8Å; D49-R80 IonicContact OD1-NE 2.9Å; D49-R80 IonicContact OD1-NH2 2.63Å; D49-K104 WeakPolarHBondContact OD2-CE 3.24Å; D49-K104 IonicContact OD2-NZ 2.7Å; D49-K104 PolarHBondContact OD2-NZ 2.75Å; D49-F106 CarbonylContact O-C 3.57Å; D49-F106 WeakPolarHBondContact O-CA 3.37Å; D49-F106 VanDerWaalsContact O-CB 3.3Å; D49-F106 WeakPolarHBondContact O-CB 3.24Å; D49-T107 HydrophobicContact CB-CG2 3.57Å; D49-T107 PolarHBondContact N-O 2.73Å; D49-T107 PolarHBondContact O-N 3.41Å
50F96.8Very high87.1Confident0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-157.6121.1-175.7-173.9-87.7000110.8F47 L52 V63 F74 G76 L77 A79 R80 G105 F106F47-F50 HydrophobicContact CD1-CB 4.39Å; F47-F50 AromaticContact CD1-CD2 3.59Å; F47-F50 HydrophobicContact CD1-CD2 3.59Å; F47-F50 HydrophobicContact CD1-CE2 4.31Å; F47-F50 HydrophobicContact CD1-CG 4.37Å; F47-F50 AromaticContact CE1-CD2 3.68Å; F47-F50 HydrophobicContact CE1-CD2 3.68Å; F47-F50 AromaticContact CE1-CE2 3.94Å; F47-F50 HydrophobicContact CE1-CE2 3.94Å; F47-F50 HydrophobicContact CG-CD2 4.48Å; F50-L52 HydrophobicContact CD2-CD1 4.32Å; F50-L52 HydrophobicContact CE1-CB 4.36Å; F50-L52 HydrophobicContact CE1-CD1 4.22Å; F50-L52 HydrophobicContact CE2-CD1 3.85Å; F50-L52 HydrophobicContact CE2-CD2 4.48Å; F50-L52 HydrophobicContact CZ-CB 4.38Å; F50-L52 HydrophobicContact CZ-CD1 3.79Å; F50-L52 HydrophobicContact CZ-CD2 4Å; F50-L52 HydrophobicContact CZ-CG 4.28Å; F50-V63 HydrophobicContact CE2-CB 3.96Å; F50-V63 HydrophobicContact CE2-CG2 3.7Å; F50-V63 HydrophobicContact CZ-CB 4.33Å; F50-V63 HydrophobicContact CZ-CG2 4.25Å; F50-F74 HydrophobicContact CE1-CB 4.35Å; F50-F74 HydrophobicContact CE2-CB 4.45Å; F50-F74 HydrophobicContact CZ-CB 3.81Å; F50-G76 WeakPolarHBondContact CD1-O 3.45Å; F50-G76 VanDerWaalsContact CE1-O 3.29Å; F50-G76 WeakPolarHBondContact CE1-O 3.32Å; F50-L77 VanDerWaalsContact O-CD2 3.26Å; F50-L77 WeakPolarHBondContact O-CD2 3.44Å; F50-A79 HydrophobicContact CB-CB 4.45Å; F50-A79 HydrophobicContact CD1-CB 3.86Å; F50-A79 HydrophobicContact CD2-CB 3.8Å; F50-A79 HydrophobicContact CE1-CB 3.96Å; F50-A79 HydrophobicContact CE2-CB 3.9Å; F50-A79 HydrophobicContact CG-CB 3.78Å; F50-A79 HydrophobicContact CZ-CB 3.98Å; F50-R80 HydrophobicContact CB-CB 4.17Å; F50-G105 CarbonylContact C-O 3.56Å; F50-G105 WeakPolarHBondContact CA-O 2.91Å; F50-F106 HydrophobicContact CB-CB 4.38Å; F50-F106 HydrophobicContact CD2-CB 3.66Å; F50-F106 HydrophobicContact CD2-CD1 4.38Å; F50-F106 HydrophobicContact CD2-CG 4.25Å; F50-F106 HydrophobicContact CE2-CB 4.43Å; F50-F106 HydrophobicContact CE2-CD1 4.35Å; F50-F106 HydrophobicContact CG-CB 4.38Å
51E94.4Very high87.9Confident70 Ų7045.8 Ų45.833%0.32723%0.227SC..EExtended strand (participates in β ladder)trans-152.1107.2173.6-171-171.517700110G76 L77 K103 K104 G105E51-G76 WeakPolarHBondContact CA-O 3.38Å; E51-L77 HydrophobicContact CB-CD2 3.89Å; E51-L77 HydrophobicContact CG-CD2 3.8Å; E51-K103 HydrophobicContact CG-CB 4.05Å; E51-K103 HydrophobicContact CG-CG 4.49Å; E51-K103 WeakPolarHBondContact O-CB 3.28Å; E51-K104 HydrophobicContact CB-CB 4.17Å; E51-K104 WeakPolarHBondContact OE2-CB 3.23Å; E51-G105 PolarHBondContact N-O 2.63Å; E51-G105 WeakPolarHBondContact O-CA 3.21Å; E51-G105 PolarHBondContact O-N 2.85Å
52L94.5Very high88.6Confident3 Ų342.9 Ų42.92%0.01621%0.213CC..  trans-114.4168.8174-93.965.8000110.5Y25 F50 E54 D61 V63 G76 F95 K103 F106Y25-L52 HydrophobicContact CE1-CD1 4.43Å; Y25-L52 HydrophobicContact CE1-CG 4.31Å; F50-L52 HydrophobicContact CD2-CD1 4.32Å; F50-L52 HydrophobicContact CE1-CB 4.36Å; F50-L52 HydrophobicContact CE1-CD1 4.22Å; F50-L52 HydrophobicContact CE2-CD1 3.85Å; F50-L52 HydrophobicContact CE2-CD2 4.48Å; F50-L52 HydrophobicContact CZ-CB 4.38Å; F50-L52 HydrophobicContact CZ-CD1 3.79Å; F50-L52 HydrophobicContact CZ-CD2 4Å; F50-L52 HydrophobicContact CZ-CG 4.28Å; L52-E54 PolarHBondContact O-N 2.03Å; L52-D61 HydrophobicContact CB-CB 4.32Å; L52-D61 HydrophobicContact CD2-CB 4.09Å; L52-D61 HydrophobicContact CG-CB 4.25Å; L52-V63 HydrophobicContact CD2-CG2 3.91Å; L52-G76 PolarHBondContact N-O 3.23Å; L52-G76 VanDerWaalsContact O-CA 3.24Å; L52-G76 WeakPolarHBondContact O-CA 3.43Å; L52-G76 PolarHBondContact O-N 2.83Å; L52-F95 HydrophobicContact CD1-CE2 4.49Å; L52-F95 HydrophobicContact CD2-CD2 4.05Å; L52-F95 HydrophobicContact CD2-CE2 3.75Å; L52-F95 HydrophobicContact CG-CE2 4.1Å; L52-K103 VanDerWaalsContact C-CG 3.43Å; L52-F106 HydrophobicContact CD1-CD1 3.87Å
53E88.3Confident89Confident10 Ų1041.3 Ų41.35%0.04721%0.205CC..  trans-57.9137.9165.8-170.3-177.5-164.100110.6Y25 Y60 D61 C75 G76 I101 K505Y25-E53 PolarHBondContact OH-N 2.89Å; Y25-E53 VanDerWaalsContact OH-N 3.13Å; E53-Y60 VanDerWaalsContact CD-CD2 3.46Å; E53-Y60 HydrophobicContact CG-CD2 4.14Å; E53-Y60 WeakPolarHBondContact OE1-CD2 3.4Å; E53-Y60 VanDerWaalsContact OE2-CB 3.23Å; E53-Y60 WeakPolarHBondContact OE2-CB 3.37Å; E53-D61 HydrophobicContact CB-CB 4.02Å; E53-D61 VanDerWaalsContact CB-OD2 3.32Å; E53-D61 WeakPolarHBondContact CB-OD2 3.27Å; E53-C75 WeakPolarHBondContact O-CB 3.37Å; E53-G76 PolarHBondContact O-N 2.88Å; E53-I101 HydrophobicContact CB-CG2 4.41Å; E53-I101 HydrophobicContact CG-CB 4.28Å; E53-I101 HydrophobicContact CG-CG2 3.83Å; E53-I101 WeakPolarHBondContact OE1-CB 3.43Å; E53-I101 VanDerWaalsContact OE1-CD1 3.31Å; E53-I101 WeakPolarHBondContact OE1-CD1 3.29Å; E53-K505 IonicContact OE1-NZ 3.88Å; E53-K505 PolarHBondContact OE1-NZ 3.33Å; E53-K505 IonicContact OE2-NZ 2.79Å; E53-K505 PolarHBondContact OE2-NZ 2.84Å
54E89.3Confident89.1Confident150 Ų15041.8 Ų41.870%0.70121%0.209SC*.  trans-97131.2-178.9-171.7171.2-173.600110.1L52L52-E54 PolarHBondContact O-N 2.03Å
55A81.6Confident89.2Confident18 Ų1839.5 Ų39.515%0.14920%0.198CC..  trans-152.4154.7179.300000110.7D57 C58 M59 Y60A55-D57 PolarHBondContact O-N 2.91Å; A55-C58 PolarHBondContact O-N 3.09Å; A55-M59 HydrophobicContact CB-CG 3.89Å; A55-Y60 HydrophobicContact CB-CD1 4.33Å; A55-Y60 HydrophobicContact CB-CD2 3.43Å; A55-Y60 VanDerWaalsContact CB-CD2 3.43Å; A55-Y60 HydrophobicContact CB-CE2 3.87Å; A55-Y60 HydrophobicContact CB-CG 3.68Å
56Q77.3Confident88.9Confident164 Ų16442.1 Ų42.177%0.76621%0.212SC*.G310 helixtrans-60.4132173.8-169.769.58.600109.9C58 M59Q56-C58 PolarHBondContact O-N 2.77Å; Q56-M59 HydrophobicContact CB-CE 4.08Å; Q56-M59 WeakPolarHBondContact O-CE 3.42Å; Q56-M59 WeakPolarHBondContact O-CG 3.43Å; Q56-M59 PolarHBondContact O-N 2.95Å
57D76.8Confident88.3Confident119 Ų11941.4 Ų41.464%0.63621%0.207SC*.G310 helixtrans53.920.9-173.6-164.537.9000114.7A55 M59A55-D57 PolarHBondContact O-N 2.91Å; D57-M59 VanDerWaalsContact C-N 3.27Å; D57-M59 PolarHBondContact O-N 3.23Å
58C86.3Confident87.2Confident14 Ų1443.2 Ų43.210%0.09523%0.226CC..G310 helixtrans51.445.3-176.5-57.40000112.8A55 Q56 Y60 R62 F74 C75A55-C58 PolarHBondContact O-N 3.09Å; Q56-C58 PolarHBondContact O-N 2.77Å; C58-Y60 VanDerWaalsContact C-N 3.33Å; C58-Y60 PolarHBondContact O-N 2.84Å; C58-R62 HydrophobicContact CB-CB 3.91Å; C58-R62 WeakPolarHBondContact O-CD 3.37Å; C58-F74 VanDerWaalsContact SG-C 3.59Å; C58-C75 WeakPolarHBondContact CA-SG 3.35Å; C58-C75 HydrophobicContact CB-CB 3.5Å; C58-C75 WeakPolarHBondContact CB-SG 3.11Å; C58-C75 WeakPolarHBondContact SG-CB 3.49Å; C58-C75 PolarHBondContact SG-N 2.9Å; C58-C75 CovalentContact SG-SG 2.04Å; C58-C75 PolarHBondContact SG-SG 3.04Å
59M75.8Confident85.9Confident57 Ų5742.1 Ų42.128%0.28123%0.227SC..  trans-74.9-16.7-175.266.6173.872.100115.2A55 Q56 D57A55-M59 HydrophobicContact CB-CG 3.89Å; Q56-M59 HydrophobicContact CB-CE 4.08Å; Q56-M59 WeakPolarHBondContact O-CE 3.42Å; Q56-M59 WeakPolarHBondContact O-CG 3.43Å; Q56-M59 PolarHBondContact O-N 2.95Å; D57-M59 VanDerWaalsContact C-N 3.27Å; D57-M59 PolarHBondContact O-N 3.23Å
60Y79.4Confident85.1Confident50 Ų5045 Ų4520%0.19625%0.245CC..SBendtrans-92.5-92.3177.6-59.2-20.9000109.9E53 A55 C58 D98 P500 K505E53-Y60 VanDerWaalsContact CD-CD2 3.46Å; E53-Y60 HydrophobicContact CG-CD2 4.14Å; E53-Y60 WeakPolarHBondContact OE1-CD2 3.4Å; E53-Y60 VanDerWaalsContact OE2-CB 3.23Å; E53-Y60 WeakPolarHBondContact OE2-CB 3.37Å; A55-Y60 HydrophobicContact CB-CD1 4.33Å; A55-Y60 HydrophobicContact CB-CD2 3.43Å; A55-Y60 VanDerWaalsContact CB-CD2 3.43Å; A55-Y60 HydrophobicContact CB-CE2 3.87Å; A55-Y60 HydrophobicContact CB-CG 3.68Å; C58-Y60 VanDerWaalsContact C-N 3.33Å; C58-Y60 PolarHBondContact O-N 2.84Å; Y60-D98 VanDerWaalsContact CB-OD2 3.24Å; Y60-D98 WeakPolarHBondContact CB-OD2 3.41Å; Y60-P500 HydrophobicContact CD1-CB 3.93Å; Y60-P500 HydrophobicContact CD1-CG 3.86Å; Y60-P500 HydrophobicContact CE1-CB 3.74Å; Y60-P500 HydrophobicContact CE1-CG 4.21Å; Y60-K505 HydrophobicContact CD1-CD 4.09Å; Y60-K505 HydrophobicContact CD2-CD 3.94Å; Y60-K505 HydrophobicContact CE1-CB 4.17Å; Y60-K505 HydrophobicContact CE1-CD 3.92Å; Y60-K505 HydrophobicContact CE1-CG 4.46Å; Y60-K505 HydrophobicContact CE2-CD 3.75Å; Y60-K505 HydrophobicContact CG-CD 4.12Å; Y60-K505 PolarHBondContact OH-O 2.78Å
61D85.9Confident84.4Confident0 Ų051.7 Ų51.70%028%0.276CS..SBendtrans-95.8136.1174.3-61.9-19.5000111Y25 L52 E53 C75 I96 S97 D98Y25-D61 WeakPolarHBondContact CE2-OD2 3.34Å; Y25-D61 PolarHBondContact OH-OD2 3.08Å; L52-D61 HydrophobicContact CB-CB 4.32Å; L52-D61 HydrophobicContact CD2-CB 4.09Å; L52-D61 HydrophobicContact CG-CB 4.25Å; E53-D61 HydrophobicContact CB-CB 4.02Å; E53-D61 VanDerWaalsContact CB-OD2 3.32Å; E53-D61 WeakPolarHBondContact CB-OD2 3.27Å; D61-C75 WeakPolarHBondContact O-CB 3.34Å; D61-I96 WeakPolarHBondContact CA-O 3.46Å; D61-S97 WeakPolarHBondContact OD1-CA 3.36Å; D61-S97 WeakPolarHBondContact OD1-CB 2.98Å; D61-D98 PolarHBondContact OD1-N 2.96Å
62R93.4Very high84Confident17 Ų1750.5 Ų50.56%0.06428%0.276CS..EExtended strand (participates in β ladder)trans-148.3145.4179.462-174172.7-150.80.7113.8C58 V64 F74 F95 I96C58-R62 HydrophobicContact CB-CB 3.91Å; C58-R62 WeakPolarHBondContact O-CD 3.37Å; R62-V64 HydrophobicContact CG-CG2 4.25Å; R62-F74 WeakPolarHBondContact CA-O 3.48Å; R62-F95 WeakPolarHBondContact O-CA 3.45Å; R62-F95 WeakPolarHBondContact O-CD2 3.24Å; R62-I96 HydrophobicContact CG-CB 4.35Å; R62-I96 PolarHBondContact N-O 2.88Å; R62-I96 PolarHBondContact O-N 3.4Å
63V95.3Very high83.7Confident0 Ų054.5 Ų54.50%029%0.293CS..EExtended strand (participates in β ladder)trans-104.6129.7160.4174.80000108.8F47 F50 L52 V65 K73 F74 V93 S94 F95 F106F47-V63 HydrophobicContact CE1-CG1 4.31Å; F47-V63 HydrophobicContact CZ-CG1 4.02Å; F50-V63 HydrophobicContact CE2-CB 3.96Å; F50-V63 HydrophobicContact CE2-CG2 3.7Å; F50-V63 HydrophobicContact CZ-CB 4.33Å; F50-V63 HydrophobicContact CZ-CG2 4.25Å; L52-V63 HydrophobicContact CD2-CG2 3.91Å; V63-V65 HydrophobicContact CG1-CG2 4.13Å; V63-K73 CarbonylContact O-C 3.59Å; V63-K73 WeakPolarHBondContact O-CA 3.13Å; V63-F74 PolarHBondContact N-O 3.38Å; V63-F74 PolarHBondContact O-N 3.47Å; V63-V93 HydrophobicContact CG1-CG1 3.69Å; V63-S94 CarbonylContact C-O 3.59Å; V63-S94 VanDerWaalsContact CA-O 3.31Å; V63-S94 WeakPolarHBondContact CA-O 3.4Å; V63-F95 HydrophobicContact CG2-CB 4.2Å; V63-F95 HydrophobicContact CG2-CD2 3.83Å; V63-F95 HydrophobicContact CG2-CG 4.4Å; V63-F106 HydrophobicContact CG2-CD1 3.79Å; V63-F106 HydrophobicContact CG2-CE1 3.39Å; V63-F106 HydrophobicContact CG2-CZ 3.98Å
64V92.7Very high84Confident11 Ų1155.2 Ų55.27%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-113.1121.5177.2-170.70000108.5R62 E71 S72 K73 V93 S94R62-V64 HydrophobicContact CG-CG2 4.25Å; V64-E71 HydrophobicContact CG1-CG 3.33Å; V64-E71 VanDerWaalsContact CG1-OE1 3.23Å; V64-E71 WeakPolarHBondContact CG1-OE1 3.42Å; V64-S72 CarbonylContact C-O 3.5Å; V64-S72 WeakPolarHBondContact CA-O 3.31Å; V64-K73 HydrophobicContact CG2-CG 4.18Å; V64-V93 CarbonylContact O-C 3.59Å; V64-V93 WeakPolarHBondContact O-CA 3.44Å; V64-S94 PolarHBondContact N-O 2.81Å; V64-S94 PolarHBondContact O-N 3.09Å
65V92.8Very high84.3Confident0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-109.3118.2177.4-174.10000109F47 V63 T67 E71 S72 F74 L84 M91 E92 V93F47-V65 HydrophobicContact CE2-CG2 4.2Å; F47-V65 HydrophobicContact CZ-CG2 4Å; V63-V65 HydrophobicContact CG1-CG2 4.13Å; V65-T67 HydrophobicContact CG1-CG2 4.36Å; V65-E71 WeakPolarHBondContact O-CA 3.37Å; V65-S72 PolarHBondContact N-O 3.16Å; V65-S72 PolarHBondContact O-N 2.71Å; V65-F74 HydrophobicContact CB-CE2 4.26Å; V65-F74 HydrophobicContact CG2-CD2 4.15Å; V65-F74 HydrophobicContact CG2-CE2 3.93Å; V65-L84 HydrophobicContact CB-CD1 4.01Å; V65-L84 HydrophobicContact CG1-CD1 3.83Å; V65-L84 HydrophobicContact CG2-CD1 4.1Å; V65-M91 HydrophobicContact CG1-CG 4.3Å; V65-M91 HydrophobicContact CG1-SD 4.07Å; V65-E92 WeakPolarHBondContact CA-O 3.29Å; V65-V93 HydrophobicContact CG1-CG2 4.27Å; V65-V93 HydrophobicContact CG2-CG2 4.27Å
66N89.9Confident84.8Confident54 Ų5447.7 Ų47.729%0.28926%0.259SS..EExtended strand (participates in β ladder)trans-102.4111.8173.8-174.2-13.9000109.7G68 M91 E92N66-G68 VanDerWaalsContact C-N 3.33Å; N66-G68 WeakPolarHBondContact OD1-CA 3.4Å; N66-G68 PolarHBondContact OD1-N 2.9Å; N66-M91 WeakPolarHBondContact O-CG 3.45Å; N66-E92 HydrophobicContact CB-CB 4.3Å; N66-E92 PolarHBondContact N-O 3.34Å; N66-E92 PolarHBondContact O-N 3.17Å
67T80.7Confident85.5Confident10 Ų1044.5 Ų44.56%0.06125%0.247CC..  trans-88.91-179.362.70000113.2V65 T70 T87 M91V65-T67 HydrophobicContact CG1-CG2 4.36Å; T67-T70 PolarHBondContact N-O 3.07Å; T67-T70 PolarHBondContact OG1-N 2.94Å; T67-T70 PolarHBondContact OG1-O 3.14Å; T67-T70 PolarHBondContact OG1-OG1 2.85Å; T67-T87 PolarHBondContact O-N 2.8Å; T67-T87 PolarHBondContact O-OG1 3Å; T67-M91 HydrophobicContact CG2-CE 4.33Å
68G73.8Confident86.3Confident40 Ų4043.1 Ų43.141%0.41224%0.243SC..SBendtrans96.9-19-177.400000114.8N66N66-G68 VanDerWaalsContact C-N 3.33Å; N66-G68 WeakPolarHBondContact OD1-CA 3.4Å; N66-G68 PolarHBondContact OD1-N 2.9Å
69S66Low86.5Confident82 Ų8242.4 Ų42.457%0.57324%0.238SC*.SBendtrans-123.3-24.9173.165.10000113.2T87S69-T87 PolarHBondContact N-OG1 2.86Å; S69-T87 WeakPolarHBondContact OG-CG2 3.32Å
70T75.3Confident87.4Confident76 Ų7646.9 Ų46.947%0.46625%0.252SS..  trans-136144.2-176.752.80000110T67T67-T70 PolarHBondContact N-O 3.07Å; T67-T70 PolarHBondContact OG1-N 2.94Å; T67-T70 PolarHBondContact OG1-O 3.14Å; T67-T70 PolarHBondContact OG1-OG1 2.85Å
71E82.4Confident87.7Confident140 Ų14047.4 Ų47.465%0.65427%0.272SS*.EExtended strand (participates in β ladder)trans-117.8116.8176.1-172175.8-169.400108V64 V65V64-E71 HydrophobicContact CG1-CG 3.33Å; V64-E71 VanDerWaalsContact CG1-OE1 3.23Å; V64-E71 WeakPolarHBondContact CG1-OE1 3.42Å; V65-E71 WeakPolarHBondContact O-CA 3.37Å
72S86.4Confident88Confident45 Ų4550.2 Ų50.232%0.31529%0.287SS..EExtended strand (participates in β ladder)trans-118.7136-175.7-61.50000110.8V64 V65V64-S72 CarbonylContact C-O 3.5Å; V64-S72 WeakPolarHBondContact CA-O 3.31Å; V65-S72 PolarHBondContact N-O 3.16Å; V65-S72 PolarHBondContact O-N 2.71Å
73K89.5Confident87.9Confident88 Ų8852.8 Ų52.838%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-105140-179.9-56-179.3-173.3167.30110.9V63 V64V63-K73 CarbonylContact O-C 3.59Å; V63-K73 WeakPolarHBondContact O-CA 3.13Å; V64-K73 HydrophobicContact CG2-CG 4.18Å
74F94Very high87.5Confident25 Ų2554.4 Ų54.411%0.1131%0.314CS..EExtended strand (participates in β ladder)trans-136.6142.4-179.5-54.6-81.7000111.4F50 C58 R62 V63 V65 A79 L82 L84F50-F74 HydrophobicContact CE1-CB 4.35Å; F50-F74 HydrophobicContact CE2-CB 4.45Å; F50-F74 HydrophobicContact CZ-CB 3.81Å; C58-F74 VanDerWaalsContact SG-C 3.59Å; R62-F74 WeakPolarHBondContact CA-O 3.48Å; V63-F74 PolarHBondContact N-O 3.38Å; V63-F74 PolarHBondContact O-N 3.47Å; V65-F74 HydrophobicContact CB-CE2 4.26Å; V65-F74 HydrophobicContact CG2-CD2 4.15Å; V65-F74 HydrophobicContact CG2-CE2 3.93Å; F74-A79 HydrophobicContact CB-CB 3.76Å; F74-A79 HydrophobicContact CD1-CB 3.87Å; F74-A79 HydrophobicContact CD2-CB 4.45Å; F74-A79 HydrophobicContact CG-CB 3.77Å; F74-L82 HydrophobicContact CD1-CD2 4.3Å; F74-L82 HydrophobicContact CE1-CD2 3.45Å; F74-L82 VanDerWaalsContact CE1-CD2 3.45Å; F74-L82 HydrophobicContact CZ-CD2 3.59Å; F74-L84 HydrophobicContact CE2-CD1 4.03Å; F74-L84 HydrophobicContact CZ-CD1 4.08Å
75C94.2Very high87.2Confident7 Ų757.9 Ų57.95%0.04733%0.332CS..  trans-155.6176.8177.159.40000110.1E53 C58 D61 L77 T78E53-C75 WeakPolarHBondContact O-CB 3.37Å; C58-C75 WeakPolarHBondContact CA-SG 3.35Å; C58-C75 HydrophobicContact CB-CB 3.5Å; C58-C75 WeakPolarHBondContact CB-SG 3.11Å; C58-C75 WeakPolarHBondContact SG-CB 3.49Å; C58-C75 PolarHBondContact SG-N 2.9Å; C58-C75 CovalentContact SG-SG 2.04Å; C58-C75 PolarHBondContact SG-SG 3.04Å; D61-C75 WeakPolarHBondContact O-CB 3.34Å; C75-L77 PolarHBondContact O-N 3.32Å; C75-T78 PolarHBondContact N-OG1 2.9Å; C75-T78 WeakPolarHBondContact O-CB 3.48Å; C75-T78 WeakPolarHBondContact O-CG2 3.25Å; C75-T78 PolarHBondContact O-N 2.93Å; C75-T78 VanDerWaalsContact O-N 3.17Å; C75-T78 PolarHBondContact O-OG1 3.14Å
76G93.5Very high86.9Confident3 Ų358.1 Ų58.13%0.03133%0.334CS..THydrogen-bonded Turntrans58.6-127.2-173.800000111.5F50 E51 L52 E53F50-G76 WeakPolarHBondContact CD1-O 3.45Å; F50-G76 VanDerWaalsContact CE1-O 3.29Å; F50-G76 WeakPolarHBondContact CE1-O 3.32Å; E51-G76 WeakPolarHBondContact CA-O 3.38Å; L52-G76 PolarHBondContact N-O 3.23Å; L52-G76 VanDerWaalsContact O-CA 3.24Å; L52-G76 WeakPolarHBondContact O-CA 3.43Å; L52-G76 PolarHBondContact O-N 2.83Å; E53-G76 PolarHBondContact O-N 2.88Å
77L92.5Very high86.4Confident96 Ų9659.1 Ų59.150%0.50334%0.341SS..THydrogen-bonded Turntrans-106.88.5176.3-64.5174.3000113.5F50 E51 C75 A79 R80F50-L77 VanDerWaalsContact O-CD2 3.26Å; F50-L77 WeakPolarHBondContact O-CD2 3.44Å; E51-L77 HydrophobicContact CB-CD2 3.89Å; E51-L77 HydrophobicContact CG-CD2 3.8Å; C75-L77 PolarHBondContact O-N 3.32Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 2.77Å; L77-R80 VanDerWaalsContact O-CB 3.31Å; L77-R80 WeakPolarHBondContact O-CB 3.37Å; L77-R80 PolarHBondContact O-N 2.83Å; L77-R80 VanDerWaalsContact O-N 3.1Å
78T92.5Very high86.4Confident90 Ų9067 Ų6755%0.55237%0.37SS*.THydrogen-bonded Turntrans-66.9-26.4-164.354.80000115C75C75-T78 PolarHBondContact N-OG1 2.9Å; C75-T78 WeakPolarHBondContact O-CB 3.48Å; C75-T78 WeakPolarHBondContact O-CG2 3.25Å; C75-T78 PolarHBondContact O-N 2.93Å; C75-T78 VanDerWaalsContact O-N 3.17Å; C75-T78 PolarHBondContact O-OG1 3.14Å
79A91.2Very high86.8Confident0 Ų067.5 Ų67.50%036%0.363CS..THydrogen-bonded Turntrans-93.3-0176.700000113.9F47 F50 F74 L77 G81 L82F47-A79 WeakPolarHBondContact CB-O 3.2Å; F47-A79 HydrophobicContact CD1-CB 4.3Å; F47-A79 HydrophobicContact CD2-CB 3.91Å; F47-A79 HydrophobicContact CE1-CB 4.42Å; F47-A79 HydrophobicContact CE2-CB 4.03Å; F47-A79 HydrophobicContact CG-CB 4.05Å; F47-A79 HydrophobicContact CZ-CB 4.29Å; F50-A79 HydrophobicContact CB-CB 4.45Å; F50-A79 HydrophobicContact CD1-CB 3.86Å; F50-A79 HydrophobicContact CD2-CB 3.8Å; F50-A79 HydrophobicContact CE1-CB 3.96Å; F50-A79 HydrophobicContact CE2-CB 3.9Å; F50-A79 HydrophobicContact CG-CB 3.78Å; F50-A79 HydrophobicContact CZ-CB 3.98Å; F74-A79 HydrophobicContact CB-CB 3.76Å; F74-A79 HydrophobicContact CD1-CB 3.87Å; F74-A79 HydrophobicContact CD2-CB 4.45Å; F74-A79 HydrophobicContact CG-CB 3.77Å; L77-A79 VanDerWaalsContact C-N 3.33Å; L77-A79 PolarHBondContact O-N 2.77Å; A79-G81 PolarHBondContact O-N 2.91Å; A79-L82 VanDerWaalsContact O-CB 3.26Å; A79-L82 WeakPolarHBondContact O-CB 2.96Å; A79-L82 PolarHBondContact O-N 2.74Å
80R93.3Very high87.9Confident150 Ų15065.9 Ų65.957%0.56635%0.35SS*.THydrogen-bonded Turntrans-65.5119.6-174.6-170.4175.4-175.1-179.51.7111.2D49 F50 L77 L82D49-R80 IonicContact OD1-CZ 2.8Å; D49-R80 IonicContact OD1-NE 2.9Å; D49-R80 IonicContact OD1-NH2 2.63Å; F50-R80 HydrophobicContact CB-CB 4.17Å; L77-R80 VanDerWaalsContact O-CB 3.31Å; L77-R80 WeakPolarHBondContact O-CB 3.37Å; L77-R80 PolarHBondContact O-N 2.83Å; L77-R80 VanDerWaalsContact O-N 3.1Å; R80-L82 VanDerWaalsContact C-N 3.29Å
81G87.1Confident88.7Confident61 Ų6162.3 Ų62.363%0.62933%0.328SS*.THydrogen-bonded Turntrans77.99.7-177.700000114.6F47 A79F47-G81 WeakPolarHBondContact O-CA 3.16Å; F47-G81 PolarHBondContact O-N 2.86Å; A79-G81 PolarHBondContact O-N 2.91Å
82L90.8Very high89.3Confident59 Ų5958.3 Ų58.331%0.30931%0.309SS..  trans-81.4139.3178.9-17067.7000111.2S46 F47 F74 A79 R80 L84S46-L82 WeakPolarHBondContact CA-O 3.28Å; F47-L82 HydrophobicContact CD2-CB 4.39Å; F47-L82 PolarHBondContact N-O 2.92Å; F74-L82 HydrophobicContact CD1-CD2 4.3Å; F74-L82 HydrophobicContact CE1-CD2 3.45Å; F74-L82 VanDerWaalsContact CE1-CD2 3.45Å; F74-L82 HydrophobicContact CZ-CD2 3.59Å; A79-L82 VanDerWaalsContact O-CB 3.26Å; A79-L82 WeakPolarHBondContact O-CB 2.96Å; A79-L82 PolarHBondContact O-N 2.74Å; R80-L82 VanDerWaalsContact C-N 3.29Å; L82-L84 HydrophobicContact CD2-CD1 4.25Å; L82-L84 HydrophobicContact CD2-CD2 3.96Å; L82-L84 HydrophobicContact CD2-CG 4.14Å; L82-L84 HydrophobicContact CG-CD2 4.13Å; L82-L84 HydrophobicContact CG-CG 4.24Å
83T91.2Very high89.7Confident72 Ų7256.1 Ų56.144%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-118.3130172-60.50000110.3Q44 L45 S46Q44-T83 HydrophobicContact CG-CG2 3.55Å; L45-T83 CarbonylContact O-C 3.17Å; L45-T83 WeakPolarHBondContact O-CA 3.38Å; S46-T83 WeakPolarHBondContact OG-CG2 3.12Å; S46-T83 PolarHBondContact OG-OG1 3Å
84L88.8Confident89.9Confident34 Ų3453.6 Ų53.618%0.17829%0.287CS..EExtended strand (participates in β ladder)trans-124.5142-177.4-61.4174.6000110.2Q44 L45 F47 V65 F74 L82Q44-L84 CarbonylContact C-O 3.58Å; Q44-L84 WeakPolarHBondContact CA-O 3.36Å; L45-L84 PolarHBondContact N-O 3.5Å; L45-L84 PolarHBondContact O-N 3.37Å; F47-L84 HydrophobicContact CE2-CD1 4.48Å; V65-L84 HydrophobicContact CB-CD1 4.01Å; V65-L84 HydrophobicContact CG1-CD1 3.83Å; V65-L84 HydrophobicContact CG2-CD1 4.1Å; F74-L84 HydrophobicContact CE2-CD1 4.03Å; F74-L84 HydrophobicContact CZ-CD1 4.08Å; L82-L84 HydrophobicContact CD2-CD1 4.25Å; L82-L84 HydrophobicContact CD2-CD2 3.96Å; L82-L84 HydrophobicContact CD2-CG 4.14Å; L82-L84 HydrophobicContact CG-CD2 4.13Å; L82-L84 HydrophobicContact CG-CG 4.24Å
85N86.4Confident89.9Confident83 Ų8352.4 Ų52.444%0.44428%0.282SS..EExtended strand (participates in β ladder)trans-112.5139.6176-70-23.2000110.1I42 I43 Q44I42-N85 HydrophobicContact CD1-CB 4.33Å; I43-N85 CarbonylContact O-C 3.55Å; I43-N85 WeakPolarHBondContact O-CA 3.38Å; Q44-N85 WeakPolarHBondContact CB-OD1 3.21Å; Q44-N85 VanDerWaalsContact CG-OD1 3.26Å; Q44-N85 WeakPolarHBondContact CG-OD1 3.02Å; Q44-N85 PolarHBondContact NE2-OD1 2.65Å
86S86.1Confident89.5Confident6 Ų653.6 Ų53.64%0.04229%0.288CS..  trans-76.6153.117264.80000111.5I42 I43 R88I42-S86 WeakPolarHBondContact CG2-O 3.47Å; I43-S86 PolarHBondContact N-OG 3.45Å; I43-S86 PolarHBondContact O-N 2.9Å; I43-S86 PolarHBondContact O-OG 2.92Å; S86-R88 VanDerWaalsContact CB-O 3.31Å; S86-R88 WeakPolarHBondContact CB-O 3.31Å; S86-R88 PolarHBondContact OG-O 3.17Å
87T78.4Confident88.8Confident74 Ų7453.6 Ų53.645%0.45429%0.287SS..SBendtrans-84.5-23.5172.756.90000112.9T67 S69T67-T87 PolarHBondContact O-N 2.8Å; T67-T87 PolarHBondContact O-OG1 3Å; S69-T87 PolarHBondContact N-OG1 2.86Å; S69-T87 WeakPolarHBondContact OG-CG2 3.32Å
88R80.6Confident87.6Confident177 Ų17749.9 Ų49.967%0.66827%0.268SS*.SBendtrans-124-176178.1-62.9-175.5-176.2-1261.6110.1S86 V90S86-R88 VanDerWaalsContact CB-O 3.31Å; S86-R88 WeakPolarHBondContact CB-O 3.31Å; S86-R88 PolarHBondContact OG-O 3.17Å; R88-V90 PolarHBondContact O-N 3.31Å
89N83.6Confident85.7Confident50 Ų5047.4 Ų47.427%0.26725%0.249SC..SBendtrans-78.613.1176.469.7-55.9000113.9A37 F41A37-N89 HydrophobicContact CB-CB 4.27Å; A37-N89 PolarHBondContact N-O 3.22Å; A37-N89 WeakPolarHBondContact O-CB 3.47Å; A37-N89 PolarHBondContact O-ND2 3.05Å; F41-N89 WeakPolarHBondContact O-CA 3Å; F41-N89 WeakPolarHBondContact O-CB 3.3Å
90V88.3Confident83.8Confident48 Ų4848.1 Ų48.129%0.29125%0.254SS..EExtended strand (participates in β ladder)trans-134.2137.1177.9-177.30000109.1T34 M35 Q36 R88 E92T34-V90 HydrophobicContact CG2-CG1 3.95Å; M35-V90 WeakPolarHBondContact O-CA 3.41Å; Q36-V90 HydrophobicContact CG-CG2 4.22Å; R88-V90 PolarHBondContact O-N 3.31Å; V90-E92 HydrophobicContact CG1-CG 4.5Å
91M92.6Very high82.6Confident1 Ų145.2 Ų45.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-134.1138.2172.4-175.3-178.5-72.500108.7M35 I43 L45 V65 N66 T67M35-M91 HydrophobicContact CE-CB 3.93Å; M35-M91 HydrophobicContact CE-CG 3.84Å; M35-M91 HydrophobicContact CE-SD 3.97Å; M35-M91 PolarHBondContact N-O 3.23Å; M35-M91 PolarHBondContact O-N 2.96Å; I43-M91 HydrophobicContact CB-CB 4.14Å; I43-M91 HydrophobicContact CB-CE 4.45Å; I43-M91 HydrophobicContact CD1-CB 3.93Å; I43-M91 HydrophobicContact CG2-CB 4.1Å; I43-M91 HydrophobicContact CG2-CE 4.33Å; I43-M91 HydrophobicContact CG2-SD 4.23Å; I43-M91 VanDerWaalsContact O-CE 3.32Å; I43-M91 WeakPolarHBondContact O-CE 3.29Å; L45-M91 HydrophobicContact CB-CE 4.21Å; L45-M91 HydrophobicContact CB-SD 3.55Å; L45-M91 VanDerWaalsContact CB-SD 3.55Å; L45-M91 HydrophobicContact CD1-SD 3.81Å; L45-M91 HydrophobicContact CG-SD 4.27Å; V65-M91 HydrophobicContact CG1-CG 4.3Å; V65-M91 HydrophobicContact CG1-SD 4.07Å; N66-M91 WeakPolarHBondContact O-CG 3.45Å; T67-M91 HydrophobicContact CG2-CE 4.33Å
92E93.9Very high82.1Confident55 Ų5544.7 Ų44.726%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-118.5138177.1-54.9-161.8136.700111.1K32 W33 T34 V65 N66 V90K32-E92 WeakPolarHBondContact CE-OE1 3.46Å; K32-E92 WeakPolarHBondContact CE-OE2 3.28Å; K32-E92 IonicContact NZ-OE1 3.74Å; K32-E92 PolarHBondContact NZ-OE1 3.27Å; K32-E92 IonicContact NZ-OE2 3.63Å; K32-E92 PolarHBondContact NZ-OE2 2.94Å; W33-E92 WeakPolarHBondContact O-CA 3.45Å; T34-E92 HydrophobicContact CG2-CG 4.19Å; T34-E92 PolarHBondContact OG1-OE1 3.22Å; T34-E92 VanDerWaalsContact OG1-OE1 3.1Å; V65-E92 WeakPolarHBondContact CA-O 3.29Å; N66-E92 HydrophobicContact CB-CB 4.3Å; N66-E92 PolarHBondContact N-O 3.34Å; N66-E92 PolarHBondContact O-N 3.17Å; V90-E92 HydrophobicContact CG1-CG 4.5Å
93V95.4Very high82.1Confident0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-124.6123.7174.51800000108F16 K32 W33 M35 L45 V63 V64 V65F16-V93 HydrophobicContact CE2-CG1 4.42Å; F16-V93 HydrophobicContact CZ-CB 4.27Å; F16-V93 HydrophobicContact CZ-CG1 4.41Å; F16-V93 HydrophobicContact CZ-CG2 4.26Å; K32-V93 WeakPolarHBondContact CA-O 3.26Å; W33-V93 HydrophobicContact CE3-CB 4.39Å; W33-V93 HydrophobicContact CE3-CG1 4.18Å; W33-V93 PolarHBondContact N-O 3.14Å; W33-V93 PolarHBondContact O-N 3.43Å; M35-V93 HydrophobicContact CE-CG2 3.57Å; L45-V93 HydrophobicContact CD1-CG2 3.46Å; L45-V93 VanDerWaalsContact CD1-CG2 3.46Å; V63-V93 HydrophobicContact CG1-CG1 3.69Å; V64-V93 CarbonylContact O-C 3.59Å; V64-V93 WeakPolarHBondContact O-CA 3.44Å; V65-V93 HydrophobicContact CG1-CG2 4.27Å; V65-V93 HydrophobicContact CG2-CG2 4.27Å
94S92.9Very high81.9Confident34 Ų3445.5 Ų45.524%0.23823%0.225CC..EExtended strand (participates in β ladder)trans-117.8130.4178.6-60.10000109.7C31 V63 V64C31-S94 CarbonylContact O-C 3.56Å; C31-S94 VanDerWaalsContact O-CA 3.27Å; C31-S94 WeakPolarHBondContact O-CA 3.24Å; V63-S94 CarbonylContact C-O 3.59Å; V63-S94 VanDerWaalsContact CA-O 3.31Å; V63-S94 WeakPolarHBondContact CA-O 3.4Å; V64-S94 PolarHBondContact N-O 2.81Å; V64-S94 PolarHBondContact O-N 3.09Å
95F93.8Very high82Confident0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-114.7130.3173.6168.4-121.8000109.6Y25 T30 C31 W33 L52 R62 V63 F106Y25-F95 HydrophobicContact CD1-CZ 4.16Å; Y25-F95 HydrophobicContact CD2-CE1 4.34Å; Y25-F95 AromaticContact CD2-CZ 3.67Å; Y25-F95 HydrophobicContact CD2-CZ 3.67Å; Y25-F95 HydrophobicContact CE1-CZ 4.45Å; Y25-F95 HydrophobicContact CE2-CZ 4.01Å; Y25-F95 HydrophobicContact CG-CE1 4.23Å; Y25-F95 AromaticContact CG-CZ 3.76Å; Y25-F95 HydrophobicContact CG-CZ 3.76Å; T30-F95 CarbonylContact C-O 3.55Å; T30-F95 WeakPolarHBondContact CA-O 3.3Å; C31-F95 HydrophobicContact CB-CB 4.27Å; C31-F95 HydrophobicContact CB-CD1 4.47Å; C31-F95 PolarHBondContact N-O 2.85Å; C31-F95 PolarHBondContact O-N 3.31Å; W33-F95 HydrophobicContact CH2-CB 4.16Å; W33-F95 HydrophobicContact CZ3-CB 3.76Å; L52-F95 HydrophobicContact CD1-CE2 4.49Å; L52-F95 HydrophobicContact CD2-CD2 4.05Å; L52-F95 HydrophobicContact CD2-CE2 3.75Å; L52-F95 HydrophobicContact CG-CE2 4.1Å; R62-F95 WeakPolarHBondContact O-CA 3.45Å; R62-F95 WeakPolarHBondContact O-CD2 3.24Å; V63-F95 HydrophobicContact CG2-CB 4.2Å; V63-F95 HydrophobicContact CG2-CD2 3.83Å; V63-F95 HydrophobicContact CG2-CG 4.4Å; F95-F106 HydrophobicContact CB-CE1 3.93Å; F95-F106 HydrophobicContact CB-CZ 3.83Å; F95-F106 HydrophobicContact CD1-CE1 4.21Å; F95-F106 HydrophobicContact CD1-CZ 4.49Å; F95-F106 AromaticContact CD2-CE1 3.82Å; F95-F106 HydrophobicContact CD2-CE1 3.82Å; F95-F106 HydrophobicContact CE2-CE1 4.4Å; F95-F106 AromaticContact CG-CE1 3.7Å; F95-F106 HydrophobicContact CG-CE1 3.7Å; F95-F106 HydrophobicContact CG-CZ 4.06Å
96I86.2Confident82.5Confident32 Ų3239.9 Ų39.916%0.16420%0.196CC..EExtended strand (participates in β ladder)trans-130.1125.9177.5-57.2169.8000107.3H29 T30 D61 R62H29-I96 WeakPolarHBondContact O-CA 3.1Å; T30-I96 HydrophobicContact CG2-CG1 4.22Å; D61-I96 WeakPolarHBondContact CA-O 3.46Å; R62-I96 HydrophobicContact CG-CB 4.35Å; R62-I96 PolarHBondContact N-O 2.88Å; R62-I96 PolarHBondContact O-N 3.4Å
97S78.7Confident82.9Confident4 Ų440.7 Ų40.73%0.02820%0.2CC..  trans-110.9145.1171.562.90000111.3P26 S28 H29 D61P26-S97 PolarHBondContact O-OG 2.81Å; S28-S97 VanDerWaalsContact CA-O 3.27Å; S28-S97 WeakPolarHBondContact CA-O 3.47Å; S28-S97 PolarHBondContact N-O 2.81Å; S28-S97 PolarHBondContact N-OG 2.81Å; S28-S97 VanDerWaalsContact N-OG 3.09Å; H29-S97 PolarHBondContact N-OG 2.88Å; H29-S97 PolarHBondContact O-N 2.84Å; H29-S97 PolarHBondContact O-OG 3.02Å; D61-S97 WeakPolarHBondContact OD1-CA 3.36Å; D61-S97 WeakPolarHBondContact OD1-CB 2.98Å
98D67.5Low83.7Confident17 Ų1737.2 Ų37.29%0.09118%0.179CC..  trans-81.6-167.2174.385.417.9000112.8N27 S28 Y60 D61 S100 P500 K505N27-D98 CarbonylContact C-O 3.5Å; N27-D98 WeakPolarHBondContact CA-O 3.19Å; N27-D98 WeakPolarHBondContact CB-O 3.34Å; S28-D98 PolarHBondContact N-O 2.78Å; Y60-D98 VanDerWaalsContact CB-OD2 3.24Å; Y60-D98 WeakPolarHBondContact CB-OD2 3.41Å; D61-D98 PolarHBondContact OD1-N 2.96Å; D98-S100 PolarHBondContact O-N 3.26Å; D98-S100 PolarHBondContact OD1-N 3.06Å; D98-P500 HydrophobicContact CB-CG 4.44Å; D98-K505 IonicContact OD1-NZ 3.17Å; D98-K505 PolarHBondContact OD1-NZ 3.29Å; D98-K505 VanDerWaalsContact OD2-CE 3.22Å; D98-K505 WeakPolarHBondContact OD2-CE 3.35Å; D98-K505 IonicContact OD2-NZ 3.72Å; D98-K505 PolarHBondContact OD2-NZ 2.95Å
99F53.1Low84.4Confident38 Ų3830 Ų3017%0.16716%0.156CC..SBendtrans-78.5-8.7-173.662.4-97.3000115.1N27 P500 C501 F502 P503 K505N27-F99 VanDerWaalsContact CG-O 3.26Å; N27-F99 PolarHBondContact ND2-O 2.88Å; F99-P500 HydrophobicContact CE1-CB 4.25Å; F99-P500 HydrophobicContact CE1-CG 4.18Å; F99-C501 WeakPolarHBondContact CZ-O 3.28Å; F99-F502 HydrophobicContact CB-CD2 4.49Å; F99-F502 HydrophobicContact CD1-CD2 4.09Å; F99-F502 HydrophobicContact CD2-CD2 4.04Å; F99-F502 HydrophobicContact CD2-CE2 4.33Å; F99-F502 HydrophobicContact CE1-CB 4.42Å; F99-F502 HydrophobicContact CE1-CD2 4.32Å; F99-F502 HydrophobicContact CE2-CD2 4.3Å; F99-F502 AromaticContact CG-CD2 3.94Å; F99-F502 HydrophobicContact CG-CD2 3.94Å; F99-F502 HydrophobicContact CG-CE2 4.43Å; F99-F502 HydrophobicContact CZ-CD2 4.43Å; F99-P503 VanDerWaalsContact CE2-O 3.32Å; F99-P503 WeakPolarHBondContact CE2-O 3.4Å; F99-K505 HydrophobicContact CZ-CG 3.98Å
100S50.6Low85Confident15 Ų1528 Ų2811%0.10515%0.145CC..SBendtrans-157.9166.3-176.361.20000114.3N27 D98 K505N27-S100 WeakPolarHBondContact OD1-CA 3.3Å; N27-S100 PolarHBondContact OD1-N 3.33Å; D98-S100 PolarHBondContact O-N 3.26Å; D98-S100 PolarHBondContact OD1-N 3.06Å; S100-K505 PolarHBondContact O-NZ 2.98Å; S100-K505 WeakPolarHBondContact OG-CE 3.37Å
101I67.9Low85.2Confident89 Ų8929.6 Ų29.646%0.45615%0.149SC..  trans64.385.3-179.1-53.6179000112.3E53E53-I101 HydrophobicContact CB-CG2 4.41Å; E53-I101 HydrophobicContact CG-CB 4.28Å; E53-I101 HydrophobicContact CG-CG2 3.83Å; E53-I101 WeakPolarHBondContact OE1-CB 3.43Å; E53-I101 VanDerWaalsContact OE1-CD1 3.31Å; E53-I101 WeakPolarHBondContact OE1-CD1 3.29Å
102Q77.8Confident85Confident50 Ų5031 Ų3123%0.23416%0.156CC..  trans-95.9142.2177.2-40.579.537.600110.8K24 Y25 N27K24-Q102 HydrophobicContact CB-CB 3.87Å; K24-Q102 HydrophobicContact CD-CB 4.28Å; K24-Q102 WeakPolarHBondContact CD-O 3.43Å; K24-Q102 HydrophobicContact CG-CB 4.47Å; Y25-Q102 HydrophobicContact CD2-CB 4.04Å; Y25-Q102 HydrophobicContact CD2-CG 4.38Å; Y25-Q102 HydrophobicContact CE2-CB 3.93Å; Y25-Q102 HydrophobicContact CE2-CG 4.39Å; Y25-Q102 WeakPolarHBondContact O-CB 3.44Å; Y25-Q102 WeakPolarHBondContact O-CG 3.3Å; N27-Q102 PolarHBondContact ND2-NE2 2.95Å; N27-Q102 VanDerWaalsContact OD1-CD 3.27Å; N27-Q102 WeakPolarHBondContact OD1-CG 3.06Å; N27-Q102 PolarHBondContact OD1-NE2 2.91Å
103K89.8Confident84.4Confident75 Ų7530.7 Ų30.733%0.32616%0.157SC..  trans-112.6-172172.2-59.7-61.1-173.6168.40110.5K24 Y25 E51 L52 G105K24-K103 WeakPolarHBondContact CA-O 3.36Å; Y25-K103 WeakPolarHBondContact CD1-O 3.28Å; Y25-K103 VanDerWaalsContact CE1-C 3.5Å; Y25-K103 HydrophobicContact CE1-CB 3.88Å; Y25-K103 VanDerWaalsContact CE1-O 3.22Å; Y25-K103 WeakPolarHBondContact CE1-O 3.07Å; Y25-K103 PolarHBondContact N-O 3.08Å; Y25-K103 PolarHBondContact OH-N 3.21Å; Y25-K103 VanDerWaalsContact OH-N 3.17Å; E51-K103 HydrophobicContact CG-CB 4.05Å; E51-K103 HydrophobicContact CG-CG 4.49Å; E51-K103 WeakPolarHBondContact O-CB 3.28Å; L52-K103 VanDerWaalsContact C-CG 3.43Å; K103-G105 VanDerWaalsContact C-N 3.27Å; K103-G105 PolarHBondContact O-N 3.02Å
104K87Confident83.6Confident73 Ų7332.7 Ų32.732%0.31717%0.174SC..  trans-64.5-29.4-175.2-164.9-174.5178.9-168.70113.2Y21 P22 D49 E51Y21-K104 HydrophobicContact CD2-CG 4.46Å; Y21-K104 VanDerWaalsContact CD2-O 3.3Å; Y21-K104 WeakPolarHBondContact CD2-O 3.36Å; Y21-K104 HydrophobicContact CE2-CD 4.28Å; Y21-K104 HydrophobicContact CE2-CG 4.05Å; P22-K104 WeakPolarHBondContact O-CG 3.31Å; D49-K104 WeakPolarHBondContact OD2-CE 3.24Å; D49-K104 IonicContact OD2-NZ 2.7Å; D49-K104 PolarHBondContact OD2-NZ 2.75Å; E51-K104 HydrophobicContact CB-CB 4.17Å; E51-K104 WeakPolarHBondContact OE2-CB 3.23Å
105G92.1Very high82.9Confident0 Ų032.1 Ų32.10%017%0.169CC..EExtended strand (participates in β ladder)trans89.5-144.2-176.600000112.2S18 Y25 F50 E51 K103S18-G105 WeakPolarHBondContact OG-CA 3.34Å; Y25-G105 VanDerWaalsContact CD1-CA 3.45Å; F50-G105 CarbonylContact C-O 3.56Å; F50-G105 WeakPolarHBondContact CA-O 2.91Å; E51-G105 PolarHBondContact N-O 2.63Å; E51-G105 WeakPolarHBondContact O-CA 3.21Å; E51-G105 PolarHBondContact O-N 2.85Å; K103-G105 VanDerWaalsContact C-N 3.27Å; K103-G105 PolarHBondContact O-N 3.02Å
106F95.4Very high82.2Confident0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-147.9157.8-174.156.7-92.8000113.8F16 T17 S18 W33 F47 D49 F50 L52 V63 F95 V108F16-F106 HydrophobicContact CD2-CE2 4.45Å; F16-F106 HydrophobicContact CE2-CE2 4.14Å; T17-F106 CarbonylContact C-O 3.47Å; T17-F106 VanDerWaalsContact CA-O 3.3Å; T17-F106 WeakPolarHBondContact CA-O 3.29Å; S18-F106 PolarHBondContact N-O 3.39Å; S18-F106 PolarHBondContact OG-N 2.83Å; W33-F106 HydrophobicContact CH2-CE2 4.03Å; W33-F106 AromaticContact CH2-CZ 3.64Å; W33-F106 HydrophobicContact CH2-CZ 3.64Å; W33-F106 HydrophobicContact CZ3-CE2 4.06Å; W33-F106 AromaticContact CZ3-CZ 3.65Å; W33-F106 HydrophobicContact CZ3-CZ 3.65Å; F47-F106 HydrophobicContact CD1-CB 4.46Å; D49-F106 CarbonylContact O-C 3.57Å; D49-F106 WeakPolarHBondContact O-CA 3.37Å; D49-F106 VanDerWaalsContact O-CB 3.3Å; D49-F106 WeakPolarHBondContact O-CB 3.24Å; F50-F106 HydrophobicContact CB-CB 4.38Å; F50-F106 HydrophobicContact CD2-CB 3.66Å; F50-F106 HydrophobicContact CD2-CD1 4.38Å; F50-F106 HydrophobicContact CD2-CG 4.25Å; F50-F106 HydrophobicContact CE2-CB 4.43Å; F50-F106 HydrophobicContact CE2-CD1 4.35Å; F50-F106 HydrophobicContact CG-CB 4.38Å; L52-F106 HydrophobicContact CD1-CD1 3.87Å; V63-F106 HydrophobicContact CG2-CD1 3.79Å; V63-F106 HydrophobicContact CG2-CE1 3.39Å; V63-F106 HydrophobicContact CG2-CZ 3.98Å; F95-F106 HydrophobicContact CB-CE1 3.93Å; F95-F106 HydrophobicContact CB-CZ 3.83Å; F95-F106 HydrophobicContact CD1-CE1 4.21Å; F95-F106 HydrophobicContact CD1-CZ 4.49Å; F95-F106 AromaticContact CD2-CE1 3.82Å; F95-F106 HydrophobicContact CD2-CE1 3.82Å; F95-F106 HydrophobicContact CE2-CE1 4.4Å; F95-F106 AromaticContact CG-CE1 3.7Å; F95-F106 HydrophobicContact CG-CE1 3.7Å; F95-F106 HydrophobicContact CG-CZ 4.06Å; F106-V108 HydrophobicContact CD2-CG2 3.82Å; F106-V108 HydrophobicContact CE2-CG2 4.41Å
107T95.4Very high82.1Confident23 Ų2332.9 Ų32.914%0.14118%0.18CC..EExtended strand (participates in β ladder)trans-126.8133.6164.9-179.40000109.8Y21 L48 D49Y21-T107 HydrophobicContact CE1-CG2 4.09Å; L48-T107 HydrophobicContact CB-CG2 3.72Å; L48-T107 PolarHBondContact N-O 2.91Å; D49-T107 HydrophobicContact CB-CG2 3.57Å; D49-T107 PolarHBondContact N-O 2.73Å; D49-T107 PolarHBondContact O-N 3.41Å
108V95.6Very high82.5Confident0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-127.5134.8-173.7170.90000109D15 F16 L45 S46 F47 F106D15-V108 CarbonylContact C-O 3.47Å; D15-V108 WeakPolarHBondContact CA-O 3.47Å; F16-V108 HydrophobicContact CD1-CB 4.41Å; F16-V108 HydrophobicContact CD1-CG1 4.34Å; F16-V108 HydrophobicContact CD2-CB 4.41Å; F16-V108 HydrophobicContact CE1-CB 4.02Å; F16-V108 HydrophobicContact CE1-CG1 3.61Å; F16-V108 HydrophobicContact CE2-CB 4.02Å; F16-V108 HydrophobicContact CE2-CG1 4.32Å; F16-V108 HydrophobicContact CE2-CG2 4.33Å; F16-V108 HydrophobicContact CZ-CB 3.81Å; F16-V108 HydrophobicContact CZ-CG1 3.6Å; F16-V108 HydrophobicContact CZ-CG2 4.33Å; F16-V108 PolarHBondContact N-O 3.42Å; F16-V108 PolarHBondContact O-N 2.57Å; L45-V108 HydrophobicContact CD1-CG1 3.57Å; L45-V108 HydrophobicContact CD2-CG1 3.95Å; L45-V108 HydrophobicContact CG-CG1 3.47Å; L45-V108 VanDerWaalsContact CG-CG1 3.47Å; S46-V108 WeakPolarHBondContact O-CA 3.16Å; F47-V108 HydrophobicContact CD1-CG2 3.38Å; F47-V108 HydrophobicContact CE1-CG2 3.45Å; F47-V108 VanDerWaalsContact CE1-CG2 3.45Å; F47-V108 HydrophobicContact CG-CG2 4.12Å; F47-V108 HydrophobicContact CZ-CG2 4.25Å; F106-V108 HydrophobicContact CD2-CG2 3.82Å; F106-V108 HydrophobicContact CE2-CG2 4.41Å
109S95.9Very high83.2Confident27 Ų2735.4 Ų35.419%0.18919%0.19CC..EExtended strand (participates in β ladder)trans-108.2137.1167.361.30000109.8G14 D15 S46G14-S109 CarbonylContact O-C 3.57Å; G14-S109 WeakPolarHBondContact O-CA 3.4Å; D15-S109 WeakPolarHBondContact OD1-CB 3.4Å; S46-S109 PolarHBondContact N-O 3.21Å; S46-S109 PolarHBondContact O-N 2.93Å
110F95.4Very high84.8Confident7 Ų734.2 Ų34.23%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-123.6150.9174.273.9-83.3000111.2L9 E11 Q13 G14 F16 M35 I43 Q44L9-F110 HydrophobicContact CB-CE1 4.21Å; L9-F110 HydrophobicContact CB-CE2 4.28Å; L9-F110 HydrophobicContact CB-CZ 3.77Å; L9-F110 HydrophobicContact CD1-CD1 4.22Å; L9-F110 HydrophobicContact CD1-CE1 3.68Å; L9-F110 HydrophobicContact CD1-CZ 4.14Å; L9-F110 HydrophobicContact CG-CE1 4.44Å; L9-F110 HydrophobicContact CG-CZ 4.45Å; E11-F110 WeakPolarHBondContact O-CE2 3.09Å; Q13-F110 CarbonylContact C-O 3.59Å; Q13-F110 WeakPolarHBondContact CA-O 3.37Å; G14-F110 PolarHBondContact N-O 2.87Å; G14-F110 WeakPolarHBondContact O-CD1 3.22Å; G14-F110 WeakPolarHBondContact O-CE1 3.36Å; G14-F110 PolarHBondContact O-N 2.93Å; F16-F110 HydrophobicContact CD1-CD1 4.09Å; F16-F110 HydrophobicContact CD1-CE1 4.47Å; F16-F110 HydrophobicContact CE1-CD1 4.25Å; M35-F110 HydrophobicContact CG-CB 4.38Å; M35-F110 HydrophobicContact CG-CD1 4.33Å; M35-F110 HydrophobicContact CG-CD2 3.96Å; M35-F110 HydrophobicContact CG-CE2 4.36Å; M35-F110 HydrophobicContact CG-CG 3.96Å; M35-F110 HydrophobicContact SD-CB 3.46Å; M35-F110 WeakPolarHBondContact SD-CB 3.35Å; M35-F110 HydrophobicContact SD-CD1 4.19Å; M35-F110 HydrophobicContact SD-CD2 4.15Å; M35-F110 HydrophobicContact SD-CG 3.67Å; I43-F110 HydrophobicContact CG2-CB 4.36Å; Q44-F110 CarbonylContact O-C 3.55Å; Q44-F110 VanDerWaalsContact O-CA 3.26Å; Q44-F110 WeakPolarHBondContact O-CA 3.28Å
111Q92.1Very high86.6Confident82 Ų8234.6 Ų34.638%0.38319%0.185SC..EExtended strand (participates in β ladder)trans-147.7147.6174.663.5-179.84.500112.2A12 Q13 Q44 V113A12-Q111 CarbonylContact O-C 3.57Å; A12-Q111 WeakPolarHBondContact O-CA 3.21Å; Q13-Q111 HydrophobicContact CB-CB 4.01Å; Q44-Q111 HydrophobicContact CB-CG 4.09Å; Q44-Q111 PolarHBondContact N-O 2.96Å; Q44-Q111 PolarHBondContact O-N 2.74Å; Q111-V113 HydrophobicContact CG-CG2 4.15Å
112H88.8Confident87.8Confident30 Ų3030.4 Ų30.414%0.13916%0.163CC..EExtended strand (participates in β ladder)trans-76.6122.3171.2-64.9173.9000109.5E11 A12 F41 I42E11-H112 PolarHBondContact O-CE1 2.76Å; E11-H112 PolarHBondContact O-NE2 3.32Å; E11-H112 VanDerWaalsContact O-NE2 3.13Å; A12-H112 WeakPolarHBondContact CA-ND1 3.26Å; A12-H112 WeakPolarHBondContact O-CB 3.01Å; A12-H112 PolarHBondContact O-N 2.82Å; F41-H112 HydrophobicContact CB-CB 4.29Å; F41-H112 HydrophobicContact CD1-CB 3.85Å; F41-H112 HydrophobicContact CG-CB 4.33Å; I42-H112 CarbonylContact O-C 3.55Å; I42-H112 WeakPolarHBondContact O-CA 3.46Å
113V81.8Confident88.4Confident48 Ų4832.2 Ų32.229%0.29117%0.17SC..EExtended strand (participates in β ladder)trans-111.4121.9175.6-178.50000108F41 I42 Q44 Q111 V115F41-V113 CarbonylContact C-O 3.47Å; F41-V113 WeakPolarHBondContact CA-O 3.45Å; I42-V113 HydrophobicContact CG1-CB 4.07Å; I42-V113 WeakPolarHBondContact CG1-O 3.46Å; I42-V113 PolarHBondContact N-O 2.93Å; I42-V113 PolarHBondContact O-N 3.11Å; Q44-V113 HydrophobicContact CB-CG2 3.63Å; Q111-V113 HydrophobicContact CG-CG2 4.15Å; V113-V115 PolarHBondContact O-N 3.19Å
114A77.9Confident88.4Confident43 Ų4328.7 Ų28.736%0.35516%0.155SC..EExtended strand (participates in β ladder)trans-61.9132.6176.500000109.4F41 A116F41-A114 HydrophobicContact CD1-CB 4.02Å; F41-A114 HydrophobicContact CE1-CB 3.75Å; F41-A114 HydrophobicContact CZ-CB 4.31Å; A114-A116 PolarHBondContact O-N 3.42Å
115V78.1Confident88.4Confident21 Ų2125.8 Ų25.813%0.12714%0.143CC..PPolyproline II helixtrans-63.6128.6174.4177.30000108.2G40 I42 V113 L117 N119 Q120 N301 T313G40-V115 PolarHBondContact O-N 3.23Å; I42-V115 HydrophobicContact CG2-CG2 3.78Å; V113-V115 PolarHBondContact O-N 3.19Å; V115-L117 PolarHBondContact O-N 3.17Å; V115-N119 HydrophobicContact CG1-CB 4.28Å; V115-Q120 HydrophobicContact CG1-CG 3.98Å; V115-N301 PolarHBondContact O-ND2 3.26Å; V115-T313 HydrophobicContact CG1-CG2 3.84Å
116A79.4Confident87.5Confident46 Ų4628 Ų2838%0.3816%0.156SC..PPolyproline II helixtrans-55.9133.5179.800000111A114 R118 N119A114-A116 PolarHBondContact O-N 3.42Å; A116-R118 PolarHBondContact O-N 3.05Å; A116-R118 VanDerWaalsContact O-N 3.11Å; A116-N119 PolarHBondContact O-N 3.44Å
117L83.5Confident85.9Confident2 Ų230.1 Ų30.11%0.0118%0.177CC..G310 helixtrans-60-26.2-178.9-165.762.1000112.4V115 N119 Q120 V122 W299 N301 W304 I306V115-L117 PolarHBondContact O-N 3.17Å; L117-N119 PolarHBondContact O-N 3.11Å; L117-Q120 HydrophobicContact CD1-CB 4.42Å; L117-Q120 PolarHBondContact O-N 3.2Å; L117-V122 HydrophobicContact CD1-CG2 4.05Å; L117-W299 HydrophobicContact CD2-CD2 3.95Å; L117-W299 HydrophobicContact CD2-CE3 4.45Å; L117-W299 HydrophobicContact CD2-CG 4.06Å; L117-W299 HydrophobicContact CG-CD2 4.24Å; L117-W299 HydrophobicContact CG-CG 4.19Å; L117-W299 PolarHBondContact O-NE1 2.77Å; L117-N301 WeakPolarHBondContact CB-OD1 3.35Å; L117-W304 HydrophobicContact CD2-CB 4.08Å; L117-W304 HydrophobicContact CD2-CG 4.02Å; L117-I306 HydrophobicContact CD1-CD1 3.51Å; L117-I306 HydrophobicContact CD2-CD1 3.69Å; L117-I306 HydrophobicContact CG-CD1 4.24Å
118R87.1Confident84.2Confident39 Ų3935.8 Ų35.815%0.14721%0.207CC..G310 helixtrans-67.2-12.9173.4-67.2179174.7-92.73.9114.5A116 Y271 C290 D291 D298 W299A116-R118 PolarHBondContact O-N 3.05Å; A116-R118 VanDerWaalsContact O-N 3.11Å; R118-Y271 WeakPolarHBondContact O-CE2 3.26Å; R118-Y271 VanDerWaalsContact O-CZ 3.31Å; R118-Y271 PolarHBondContact O-OH 3.4Å; R118-C290 PolarHBondContact NH1-O 2.95Å; R118-D291 PolarHBondContact NH2-O 2.93Å; R118-D298 IonicContact CZ-OD2 3.89Å; R118-D298 IonicContact NE-OD2 3.7Å; R118-D298 IonicContact NH2-OD1 3.18Å; R118-D298 PolarHBondContact NH2-OD1 3.33Å; R118-D298 IonicContact NH2-OD2 3.54Å; R118-D298 PolarHBondContact NH2-OD2 2.88Å; R118-W299 WeakPolarHBondContact CG-O 3.07Å
119N82.8Confident82.7Confident36 Ų3639.1 Ų39.119%0.19324%0.241CC..G310 helixtrans-99.98170.6-65.3-21.2000112V115 A116 L117 T313 D314V115-N119 HydrophobicContact CG1-CB 4.28Å; A116-N119 PolarHBondContact O-N 3.44Å; L117-N119 PolarHBondContact O-N 3.11Å; N119-T313 WeakPolarHBondContact O-CA 3.37Å; N119-D314 PolarHBondContact O-N 3.13Å
120Q85.8Confident81.9Confident13 Ų1340.7 Ų40.76%0.06125%0.245CC..EExtended strand (participates in β ladder)trans-128.3130.1-173.7-62.9179-31.400111.7V115 L117 Y271 W299 A311 Q312 T313V115-Q120 HydrophobicContact CG1-CG 3.98Å; L117-Q120 HydrophobicContact CD1-CB 4.42Å; L117-Q120 PolarHBondContact O-N 3.2Å; Q120-Y271 VanDerWaalsContact O-CD2 3.32Å; Q120-Y271 WeakPolarHBondContact O-CD2 2.97Å; Q120-W299 PolarHBondContact O-NE1 3.11Å; Q120-A311 HydrophobicContact CB-CB 4.42Å; Q120-Q312 CarbonylContact C-O 3.57Å; Q120-Q312 VanDerWaalsContact CA-O 3.25Å; Q120-Q312 WeakPolarHBondContact CA-O 3.28Å; Q120-T313 HydrophobicContact CG-CG2 3.97Å
121K90.1Very high81.1Confident23 Ų2343.7 Ų43.710%0.126%0.261CS..EExtended strand (participates in β ladder)trans-87.5144.7161.365.8-174.1179.3-1710109.7E153 M208 N269 Q312 D314 L317K121-E153 IonicContact NZ-OE2 3.48Å; K121-E153 PolarHBondContact NZ-OE2 3.27Å; K121-M208 HydrophobicContact CB-CE 3.76Å; K121-M208 HydrophobicContact CD-CE 3.81Å; K121-M208 HydrophobicContact CG-CE 4.46Å; K121-N269 HydrophobicContact CB-CB 4.31Å; K121-N269 HydrophobicContact CD-CB 4.1Å; K121-N269 HydrophobicContact CG-CB 4.28Å; K121-Q312 HydrophobicContact CG-CB 4.08Å; K121-Q312 PolarHBondContact N-O 2.72Å; K121-Q312 PolarHBondContact O-N 3.45Å; K121-D314 HydrophobicContact CD-CB 4.2Å; K121-D314 VanDerWaalsContact CE-OD2 3.31Å; K121-D314 WeakPolarHBondContact CE-OD2 3.35Å; K121-D314 HydrophobicContact CG-CB 4.48Å; K121-D314 IonicContact NZ-OD2 3.83Å; K121-D314 PolarHBondContact NZ-OD2 3.05Å; K121-L317 HydrophobicContact CB-CD1 4.37Å; K121-L317 HydrophobicContact CB-CD2 4.23Å
122V91.3Very high80.9Confident0 Ų040 Ų400%024%0.244CC..EExtended strand (participates in β ladder)trans-114.6119.3-174.4177.80000109.2L117 I124 A132 L251 N269 M270 W299 I306 L310L117-V122 HydrophobicContact CD1-CG2 4.05Å; V122-I124 PolarHBondContact O-N 3Å; V122-A132 HydrophobicContact CG1-CB 4.43Å; V122-L251 HydrophobicContact CB-CD1 4.44Å; V122-L251 HydrophobicContact CG1-CD1 3.99Å; V122-N269 CarbonylContact O-C 3.53Å; V122-N269 WeakPolarHBondContact O-CA 3.27Å; V122-M270 PolarHBondContact N-O 2.9Å; V122-M270 PolarHBondContact O-N 3.41Å; V122-W299 HydrophobicContact CB-CH2 4.05Å; V122-W299 HydrophobicContact CB-CZ2 3.96Å; V122-W299 HydrophobicContact CG2-CH2 3.9Å; V122-W299 HydrophobicContact CG2-CZ2 3.47Å; V122-W299 VanDerWaalsContact CG2-CZ2 3.47Å; V122-I306 HydrophobicContact CG1-CG2 3.86Å; V122-I306 HydrophobicContact CG2-CD1 3.85Å; V122-I306 HydrophobicContact CG2-CG2 4.26Å; V122-L310 WeakPolarHBondContact CA-O 3.18Å; V122-L310 HydrophobicContact CG1-CB 4.18Å
123K91.4Very high81Confident89 Ų8940.5 Ų40.539%0.38725%0.247SC..EExtended strand (participates in β ladder)trans-66.3128.4171.8-172.6173.7-175.2173.60109.7N269 L310K123-N269 WeakPolarHBondContact CA-OD1 3.23Å; K123-N269 WeakPolarHBondContact CB-OD1 3.43Å; K123-L310 HydrophobicContact CB-CD2 4.16Å; K123-L310 PolarHBondContact N-O 3.03Å; K123-L310 WeakPolarHBondContact O-CD2 3.19Å
124I90.3Very high81.5Confident1 Ų138.5 Ų38.51%0.00524%0.235CC..PPolyproline II helixtrans-69.2130-177.6-58.9-179000109.7V122 L251 F266 G268 M270V122-I124 PolarHBondContact O-N 3Å; I124-L251 HydrophobicContact CG2-CB 4.29Å; I124-F266 HydrophobicContact CD1-CB 4.01Å; I124-F266 HydrophobicContact CD1-CD1 3.86Å; I124-F266 HydrophobicContact CD1-CG 4.34Å; I124-G268 PolarHBondContact N-O 2.9Å; I124-M270 HydrophobicContact CD1-CB 4.18Å; I124-M270 HydrophobicContact CD1-CE 4.04Å; I124-M270 HydrophobicContact CG1-CB 4.03Å
125P85.9Confident82.1Confident11 Ų1138.3 Ų38.37%0.07123%0.227CC..PPolyproline II helixtrans-61.3142-173.8-18.425.2000113.7Q130 A132 S265 L310P125-Q130 HydrophobicContact CB-CB 4.36Å; P125-A132 HydrophobicContact CG-CB 3.52Å; P125-S265 WeakPolarHBondContact O-CB 3.16Å; P125-S265 PolarHBondContact O-OG 2.6Å; P125-L310 HydrophobicContact CB-CD1 4.27Å; P125-L310 HydrophobicContact CG-CD1 3.73Å
126N73.9Confident82.3Confident48 Ų4844.2 Ų44.226%0.25726%0.258SS..  trans-108.28.7-179.3-76.4-45.1000114.9R158N126-R158 VanDerWaalsContact CG-NH2 3.3Å; N126-R158 PolarHBondContact OD1-NH2 2.93Å
127G61.8Low82.4Confident44 Ų4446.7 Ų46.745%0.45427%0.272SS..SBendtrans103.12.6174.700000116.9G129G127-G129 PolarHBondContact O-N 2.04Å
128N60.4Low82.7Confident142 Ų14247.9 Ų47.976%0.75928%0.28SS*.SBendtrans-82.538.4-178.6-70.73.5000114Q130N128-Q130 PolarHBondContact O-N 2.86Å
129G63Low82.6Confident70 Ų7051.1 Ų51.172%0.72231%0.309SS*.SBendtrans69.411.5-173.800000114.7G127G127-G129 PolarHBondContact O-N 2.04Å
130Q78.3Confident83Confident59 Ų5949.8 Ų49.828%0.27630%0.301SS..  trans-83.4135.6173.9-59.9175.9-52.600110P125 N128 S309 L310P125-Q130 HydrophobicContact CB-CB 4.36Å; N128-Q130 PolarHBondContact O-N 2.86Å; Q130-S309 PolarHBondContact NE2-OG 3.23Å; Q130-L310 HydrophobicContact CB-CD1 3.96Å; Q130-L310 HydrophobicContact CB-CD2 4.32Å; Q130-L310 HydrophobicContact CB-CG 4.28Å; Q130-L310 HydrophobicContact CG-CD2 4.43Å
131I79.8Confident83.4Confident71 Ų7151.7 Ų51.736%0.36432%0.315SS..  trans-114.4134-174.7-57173000108.8E133 T305 I306 S307I131-E133 HydrophobicContact CG2-CB 4.28Å; I131-E133 VanDerWaalsContact CG2-CD 3.46Å; I131-E133 HydrophobicContact CG2-CG 3.52Å; I131-T305 HydrophobicContact CG2-CG2 4.2Å; I131-I306 CarbonylContact O-C 3.59Å; I131-I306 WeakPolarHBondContact O-CA 3.43Å; I131-S307 PolarHBondContact N-OG 3.23Å; I131-S307 PolarHBondContact O-N 3.49Å; I131-S307 PolarHBondContact O-OG 2.84Å
132A88.4Confident83.5Confident4 Ų453.4 Ų53.43%0.03333%0.334CS..EExtended strand (participates in β ladder)trans-144.881.9168.200000107.8V122 P125 L251 T305 I306 L310V122-A132 HydrophobicContact CG1-CB 4.43Å; P125-A132 HydrophobicContact CG-CB 3.52Å; A132-L251 HydrophobicContact CB-CB 4.2Å; A132-L251 HydrophobicContact CB-CD1 4.11Å; A132-L251 HydrophobicContact CB-CG 4.28Å; A132-L251 PolarHBondContact O-N 3.05Å; A132-T305 WeakPolarHBondContact CA-O 3.47Å; A132-I306 HydrophobicContact CB-CG1 4.29Å; A132-L310 HydrophobicContact CB-CD1 4.15Å
133E90.8Very high83.6Confident41 Ų4153.6 Ų53.619%0.19234%0.335CS..EExtended strand (participates in β ladder)trans-135.1154.8-174.370.8-165.5-175.300111.7I131 V248 F249 K250 T305I131-E133 HydrophobicContact CG2-CB 4.28Å; I131-E133 VanDerWaalsContact CG2-CD 3.46Å; I131-E133 HydrophobicContact CG2-CG 3.52Å; E133-V248 HydrophobicContact CB-CG1 4.45Å; E133-F249 WeakPolarHBondContact CA-O 3.38Å; E133-K250 HydrophobicContact CB-CB 4.37Å; E133-K250 HydrophobicContact CB-CD 4.15Å; E133-K250 HydrophobicContact CB-CG 3.77Å; E133-K250 WeakPolarHBondContact OE2-CD 3.34Å; E133-K250 WeakPolarHBondContact OE2-CE 3.18Å; E133-K250 IonicContact OE2-NZ 3.92Å; E133-K250 PolarHBondContact OE2-NZ 2.81Å; E133-T305 PolarHBondContact N-O 3.12Å; E133-T305 VanDerWaalsContact N-O 3.1Å; E133-T305 PolarHBondContact O-N 3.2Å
134V92.1Very high83.7Confident6 Ų654 Ų544%0.03634%0.341CS..EExtended strand (participates in β ladder)trans-70.3137.7173.6173.80000109.1V138 F249 I297 Q303 W304V134-V138 HydrophobicContact CG1-CB 3.65Å; V134-V138 HydrophobicContact CG1-CG1 3.86Å; V134-V138 HydrophobicContact CG1-CG2 4.15Å; V134-F249 HydrophobicContact CB-CB 4.17Å; V134-F249 HydrophobicContact CG2-CB 3.84Å; V134-F249 HydrophobicContact CG2-CD1 4.09Å; V134-F249 HydrophobicContact CG2-CG 4.31Å; V134-F249 PolarHBondContact N-O 2.91Å; V134-I297 HydrophobicContact CG2-CD1 3.94Å; V134-I297 HydrophobicContact CG2-CG1 4.21Å; V134-I297 HydrophobicContact CG2-CG2 3.87Å; V134-Q303 WeakPolarHBondContact CA-O 3.31Å; V134-W304 HydrophobicContact CG2-CD2 4.13Å; V134-W304 HydrophobicContact CG2-CE3 4.07Å; V134-W304 HydrophobicContact CG2-CH2 3.9Å; V134-W304 HydrophobicContact CG2-CZ2 3.95Å; V134-W304 HydrophobicContact CG2-CZ3 3.95Å
135I89.1Confident83.8Confident38 Ų3857.5 Ų57.520%0.19536%0.357CS..  trans-69.7149.7-176.668.1175.9000112S137 V138 S302 Q303 T305I135-S137 WeakPolarHBondContact CD1-OG 3.44Å; I135-S137 VanDerWaalsContact CG1-OG 3.28Å; I135-S137 WeakPolarHBondContact CG1-OG 3.46Å; I135-S137 PolarHBondContact O-N 3Å; I135-V138 HydrophobicContact CD1-CG2 4.48Å; I135-V138 HydrophobicContact CG1-CG2 3.8Å; I135-V138 PolarHBondContact O-N 2.78Å; I135-S302 WeakPolarHBondContact CD1-O 3.49Å; I135-Q303 PolarHBondContact N-O 3.41Å; I135-T305 WeakPolarHBondContact CG2-OG1 3.46Å
136N83.7Confident84.3Confident146 Ų14657 Ų5778%0.78135%0.354SS*.THydrogen-bonded Turntrans-62.3-18.4-176.9-65-18.2000114.4V138N136-V138 VanDerWaalsContact C-N 3.3Å
137S81.8Confident85.4Confident97 Ų9754.7 Ų54.768%0.67834%0.342SS*.THydrogen-bonded Turntrans-77.4-13.917657.20000113.7I135 S139I135-S137 WeakPolarHBondContact CD1-OG 3.44Å; I135-S137 VanDerWaalsContact CG1-OG 3.28Å; I135-S137 WeakPolarHBondContact CG1-OG 3.46Å; I135-S137 PolarHBondContact O-N 3Å; S137-S139 PolarHBondContact O-N 3.38Å
138V88.1Confident87.1Confident27 Ų2752.6 Ų52.616%0.16432%0.32CS..SBendtrans-86.2108173.2177.50000108.6V134 I135 N136 I140 V296 Q303V134-V138 HydrophobicContact CG1-CB 3.65Å; V134-V138 HydrophobicContact CG1-CG1 3.86Å; V134-V138 HydrophobicContact CG1-CG2 4.15Å; I135-V138 HydrophobicContact CD1-CG2 4.48Å; I135-V138 HydrophobicContact CG1-CG2 3.8Å; I135-V138 PolarHBondContact O-N 2.78Å; N136-V138 VanDerWaalsContact C-N 3.3Å; V138-I140 PolarHBondContact O-N 2.95Å; V138-V296 WeakPolarHBondContact CG1-O 3.47Å; V138-Q303 HydrophobicContact CG2-CB 3.91Å; V138-Q303 HydrophobicContact CG2-CG 3.88Å
139S86.3Confident88.8Confident108 Ų10845.9 Ų45.976%0.75528%0.284SS*.  trans-82.2108.7179.7610000111.5S137 P141S137-S139 PolarHBondContact O-N 3.38Å; S139-P141 WeakPolarHBondContact O-CD 3.39Å
140I91.4Very high90.3Very high7 Ų742.5 Ų42.54%0.03625%0.25CC..PPolyproline II helixtrans-79.8117.4174.3-61.3167.7000109V138 Y166 A245 G246 F249 V296 I297V138-I140 PolarHBondContact O-N 2.95Å; I140-Y166 HydrophobicContact CB-CE2 4.19Å; I140-Y166 HydrophobicContact CD1-CD2 3.95Å; I140-Y166 HydrophobicContact CD1-CE2 3.58Å; I140-Y166 HydrophobicContact CG1-CE2 4.48Å; I140-Y166 HydrophobicContact CG2-CE2 3.99Å; I140-A245 WeakPolarHBondContact O-CA 3.38Å; I140-G246 PolarHBondContact O-N 2.84Å; I140-F249 HydrophobicContact CD1-CB 3.76Å; I140-V296 HydrophobicContact CG1-CG1 4.29Å; I140-V296 HydrophobicContact CG2-CG1 4.27Å; I140-I297 HydrophobicContact CD1-CD1 4.14Å
141P92.6Very high91.1Very high53 Ų5340.1 Ų40.134%0.34424%0.238SC..PPolyproline II helixtrans-75.6170.1-179.632.6-34.3000111.3S139 L143 V296S139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-L143 HydrophobicContact CG-CD2 3.95Å; P141-L143 WeakPolarHBondContact O-CG 3.42Å; P141-L143 PolarHBondContact O-N 3Å; P141-V296 HydrophobicContact CG-CG2 4.48Å
142A92.5Very high91.8Very high60 Ų6036.8 Ų36.850%0.49622%0.221SC..PPolyproline II helixtrans-66.1131.2169.900000109.5V243 A245A142-V243 CarbonylContact C-O 3.57Å; A142-V243 VanDerWaalsContact CA-O 3.25Å; A142-V243 WeakPolarHBondContact CA-O 3.47Å; A142-A245 HydrophobicContact CB-CB 4.28Å
143L93.6Very high92.1Very high4 Ų438.2 Ų38.22%0.02123%0.227CC..BIsolated β-bridgetrans-113.2120.5-174.1-51.6173.7000110.3P141 L146 W215 S242 V243 L275 N277P141-L143 HydrophobicContact CG-CD2 3.95Å; P141-L143 WeakPolarHBondContact O-CG 3.42Å; P141-L143 PolarHBondContact O-N 3Å; L143-L146 HydrophobicContact CD1-CB 4.32Å; L143-L146 HydrophobicContact CD1-CD2 4.15Å; L143-W215 VanDerWaalsContact O-CZ3 3.28Å; L143-W215 WeakPolarHBondContact O-CZ3 3.26Å; L143-S242 PolarHBondContact O-OG 3.2Å; L143-V243 HydrophobicContact CB-CB 4.14Å; L143-V243 PolarHBondContact N-O 2.74Å; L143-V243 PolarHBondContact O-N 3.41Å; L143-L275 HydrophobicContact CD1-CD1 4.34Å; L143-L275 HydrophobicContact CD1-CD2 4.19Å; L143-N277 HydrophobicContact CD2-CB 3.61Å
144N92.9Very high92.2Very high97 Ų9738.1 Ų38.152%0.51923%0.225SC..SBendtrans-97.7-15.8169.8-64-22.5000112.1S217 S242N144-S217 WeakPolarHBondContact O-CB 3.44Å; N144-S217 PolarHBondContact O-N 2.78Å; N144-S242 WeakPolarHBondContact OD1-CB 3.36Å; N144-S242 PolarHBondContact OD1-OG 2.81Å
145E94Very high92.1Very high75 Ų7542.3 Ų42.335%0.3525%0.251SS..EExtended strand (participates in β ladder)trans-151.8152173.845.7169.7-162.800108.7W215 M216 N277 A279E145-W215 CarbonylContact C-O 3.51Å; E145-W215 WeakPolarHBondContact CA-O 3.46Å; E145-M216 HydrophobicContact CB-CG 4.35Å; E145-N277 CarbonylContact O-C 3.44Å; E145-N277 VanDerWaalsContact O-C 3.25Å; E145-A279 HydrophobicContact CB-CB 4.16Å
146L95.6Very high91.9Very high0 Ų041.6 Ų41.60%025%0.253CS..EExtended strand (participates in β ladder)trans-154.6158.1-178.461.686.4000112.8L143 I148 L175 M186 L214 W215 L275 W276 R278L143-L146 HydrophobicContact CD1-CB 4.32Å; L143-L146 HydrophobicContact CD1-CD2 4.15Å; L146-I148 HydrophobicContact CD1-CD1 4.03Å; L146-I148 HydrophobicContact CD1-CG1 4.02Å; L146-L175 HydrophobicContact CD2-CD1 4.22Å; L146-L175 HydrophobicContact CD2-CD2 3.79Å; L146-M186 HydrophobicContact CD1-CE 4.15Å; L146-L214 WeakPolarHBondContact O-CA 3.4Å; L146-W215 HydrophobicContact CD1-CB 4.38Å; L146-W215 HydrophobicContact CD2-CE3 3.81Å; L146-W215 HydrophobicContact CD2-CZ3 4.4Å; L146-W215 HydrophobicContact CG-CB 4.27Å; L146-W215 HydrophobicContact CG-CE3 4.04Å; L146-W215 PolarHBondContact N-O 2.7Å; L146-W215 PolarHBondContact O-N 2.78Å; L146-W215 VanDerWaalsContact O-N 3.14Å; L146-L275 HydrophobicContact CB-CD1 4.02Å; L146-W276 VanDerWaalsContact CA-O 3.27Å; L146-W276 WeakPolarHBondContact CA-O 3.48Å; L146-R278 CarbonylContact C-O 3.31Å; L146-R278 VanDerWaalsContact C-O 3.31Å
147T96.8Very high91.8Very high0 Ų038.7 Ų38.70%024%0.244CC..EExtended strand (participates in β ladder)trans-131.5123.3165.7-56.40000108.2C212 V213 L214 L275 W276 R278 A279 M280 L285T147-C212 HydrophobicContact CG2-CB 4.43Å; T147-V213 WeakPolarHBondContact CA-O 3.02Å; T147-L214 HydrophobicContact CG2-CD2 4.23Å; T147-L214 HydrophobicContact CG2-CG 4.13Å; T147-L275 WeakPolarHBondContact O-CA 3.18Å; T147-W276 HydrophobicContact CG2-CE3 4.42Å; T147-W276 PolarHBondContact N-O 3.03Å; T147-W276 PolarHBondContact O-N 2.84Å; T147-R278 WeakPolarHBondContact CB-O 3.44Å; T147-R278 PolarHBondContact N-O 3.1Å; T147-R278 VanDerWaalsContact N-O 3.16Å; T147-R278 PolarHBondContact OG1-O 3.25Å; T147-A279 WeakPolarHBondContact OG1-CA 3.32Å; T147-M280 HydrophobicContact CG2-CB 4.37Å; T147-M280 HydrophobicContact CG2-CE 4.47Å; T147-M280 HydrophobicContact CG2-CG 4.09Å; T147-M280 HydrophobicContact CG2-SD 4.02Å; T147-M280 PolarHBondContact OG1-N 2.81Å; T147-L285 HydrophobicContact CG2-CD2 4.21Å
148I97.1Very high91.8Very high0 Ų037.7 Ų37.70%023%0.225CC..EExtended strand (participates in β ladder)trans-117114.2172.8-61.5168.7000107.9L146 F150 F164 L175 C212 V213 F249 L273 R274 L275L146-I148 HydrophobicContact CD1-CD1 4.03Å; L146-I148 HydrophobicContact CD1-CG1 4.02Å; I148-F150 HydrophobicContact CG2-CD1 4Å; I148-F150 HydrophobicContact CG2-CE1 4.43Å; I148-F164 HydrophobicContact CB-CZ 4.41Å; I148-F164 HydrophobicContact CD1-CD2 4.42Å; I148-F164 HydrophobicContact CD1-CE1 4.5Å; I148-F164 HydrophobicContact CD1-CE2 3.56Å; I148-F164 HydrophobicContact CD1-CZ 3.6Å; I148-F164 HydrophobicContact CG2-CE1 4.06Å; I148-F164 HydrophobicContact CG2-CZ 4.17Å; I148-L175 HydrophobicContact CD1-CD2 3.92Å; I148-C212 CarbonylContact O-C 3.53Å; I148-C212 VanDerWaalsContact O-CA 3.23Å; I148-C212 WeakPolarHBondContact O-CA 3.4Å; I148-V213 PolarHBondContact N-O 3.1Å; I148-V213 PolarHBondContact O-N 3.37Å; I148-F249 HydrophobicContact CD1-CE2 4.3Å; I148-L273 HydrophobicContact CG2-CD1 4.38Å; I148-L273 HydrophobicContact CG2-CD2 4.22Å; I148-L273 HydrophobicContact CG2-CG 4.13Å; I148-R274 CarbonylContact C-O 3.37Å; I148-R274 VanDerWaalsContact CA-O 3.3Å; I148-R274 WeakPolarHBondContact CA-O 3.43Å; I148-L275 HydrophobicContact CD1-CD1 3.95Å; I148-L275 HydrophobicContact CG1-CB 4.36Å; I148-L275 HydrophobicContact CG1-CD1 3.32Å; I148-L275 HydrophobicContact CG1-CG 4.37Å
149C96.4Very high91.4Very high0 Ų043.4 Ų43.40%025%0.25CS..EExtended strand (participates in β ladder)trans-109.5140.9176.5-63.20000110.4F210 F211 C212 L273 R274 W276 L288C149-F210 HydrophobicContact CB-CE2 4Å; C149-F210 HydrophobicContact CB-CZ 4.04Å; C149-F211 CarbonylContact C-O 3.6Å; C149-F211 VanDerWaalsContact CA-O 3.28Å; C149-F211 WeakPolarHBondContact CA-O 3.29Å; C149-C212 HydrophobicContact CB-CB 4.1Å; C149-C212 WeakPolarHBondContact CB-SG 2.83Å; C149-C212 WeakPolarHBondContact SG-CB 3.1Å; C149-C212 CovalentContact SG-SG 2.04Å; C149-C212 PolarHBondContact SG-SG 3.13Å; C149-L273 CarbonylContact O-C 3.5Å; C149-L273 VanDerWaalsContact O-CA 3.29Å; C149-L273 WeakPolarHBondContact O-CA 2.97Å; C149-R274 PolarHBondContact N-O 2.89Å; C149-R274 PolarHBondContact O-N 2.88Å; C149-W276 HydrophobicContact CB-CZ3 4.04Å; C149-L288 HydrophobicContact CB-CD2 4.09Å
150F95.8Very high91.4Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-160164.1-179.256-89.2000111.2I148 V152 L163 F164 F177 F211 V213 M270 L273I148-F150 HydrophobicContact CG2-CD1 4Å; I148-F150 HydrophobicContact CG2-CE1 4.43Å; F150-V152 HydrophobicContact CD2-CB 4.18Å; F150-V152 HydrophobicContact CD2-CG1 4.31Å; F150-V152 HydrophobicContact CE2-CB 4.34Å; F150-V152 HydrophobicContact CE2-CG1 4.08Å; F150-L163 HydrophobicContact CD2-CD2 4.35Å; F150-L163 HydrophobicContact CE2-CD2 3.46Å; F150-L163 VanDerWaalsContact CE2-CD2 3.46Å; F150-L163 HydrophobicContact CZ-CD2 3.87Å; F150-F164 HydrophobicContact CD1-CE1 4.35Å; F150-F164 HydrophobicContact CE1-CD1 4.45Å; F150-F164 AromaticContact CE1-CE1 3.78Å; F150-F164 HydrophobicContact CE1-CE1 3.78Å; F150-F164 HydrophobicContact CZ-CE1 4.39Å; F150-F177 HydrophobicContact CZ-CD1 4.34Å; F150-F177 HydrophobicContact CZ-CE1 4.26Å; F150-F211 HydrophobicContact CD2-CB 4.39Å; F150-F211 HydrophobicContact CE2-CB 3.93Å; F150-F211 HydrophobicContact CE2-CD2 4.36Å; F150-F211 HydrophobicContact CE2-CG 4.4Å; F150-F211 HydrophobicContact CZ-CB 4.02Å; F150-F211 PolarHBondContact N-O 3.11Å; F150-F211 PolarHBondContact O-N 2.89Å; F150-F211 VanDerWaalsContact O-O 3.06Å; F150-V213 HydrophobicContact CE1-CG2 4.01Å; F150-V213 HydrophobicContact CZ-CG2 4.29Å; F150-M270 HydrophobicContact CB-SD 3.52Å; F150-M270 VanDerWaalsContact CB-SD 3.52Å; F150-M270 HydrophobicContact CD2-CE 3.89Å; F150-M270 HydrophobicContact CD2-SD 3.52Å; F150-M270 VanDerWaalsContact CD2-SD 3.52Å; F150-M270 HydrophobicContact CE2-CE 4.35Å; F150-M270 HydrophobicContact CE2-SD 4.49Å; F150-M270 HydrophobicContact CG-CE 4.26Å; F150-M270 HydrophobicContact CG-SD 3.73Å; F150-L273 HydrophobicContact CB-CB 4Å; F150-L273 HydrophobicContact CB-CD1 4.23Å; F150-L273 HydrophobicContact CB-CG 4.09Å
151E95.1Very high91.4Very high9 Ų941.2 Ų41.24%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-114136.9170.6-68.8178.3-129.700110M208 K209 F210 M270 Y271 S318E151-M208 HydrophobicContact CB-CG 3.79Å; E151-M208 HydrophobicContact CB-SD 3.95Å; E151-K209 CarbonylContact C-O 3.54Å; E151-K209 WeakPolarHBondContact CA-O 3.44Å; E151-F210 HydrophobicContact CG-CB 4Å; E151-F210 HydrophobicContact CG-CD2 3.92Å; E151-F210 HydrophobicContact CG-CG 4.48Å; E151-M270 CarbonylContact O-C 3.52Å; E151-M270 WeakPolarHBondContact O-CA 3.41Å; E151-M270 VanDerWaalsContact O-SD 3.39Å; E151-Y271 HydrophobicContact CB-CD1 3.96Å; E151-Y271 HydrophobicContact CG-CD1 4.23Å; E151-Y271 PolarHBondContact N-O 3.18Å; E151-Y271 PolarHBondContact O-N 3.06Å; E151-S318 WeakPolarHBondContact OE1-CB 3.35Å; E151-S318 PolarHBondContact OE1-OG 2.78Å; E151-S318 PolarHBondContact OE2-OG 2.9Å
152V94.7Very high91.3Very high0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-138.5142.5-17667.60000112.3F150 L163 F204 M208 K209 F211 F266 N269 M270F150-V152 HydrophobicContact CD2-CB 4.18Å; F150-V152 HydrophobicContact CD2-CG1 4.31Å; F150-V152 HydrophobicContact CE2-CB 4.34Å; F150-V152 HydrophobicContact CE2-CG1 4.08Å; V152-L163 HydrophobicContact CB-CD2 4.43Å; V152-L163 HydrophobicContact CG1-CD2 4.3Å; V152-L163 HydrophobicContact CG2-CD2 4.13Å; V152-F204 HydrophobicContact CG1-CD1 3.46Å; V152-F204 VanDerWaalsContact CG1-CD1 3.46Å; V152-F204 HydrophobicContact CG1-CE1 3.84Å; V152-M208 VanDerWaalsContact C-SD 3.59Å; V152-K209 PolarHBondContact N-O 3.27Å; V152-K209 PolarHBondContact O-N 2.82Å; V152-K209 VanDerWaalsContact O-N 3.13Å; V152-F211 HydrophobicContact CG1-CD2 3.73Å; V152-F211 HydrophobicContact CG1-CE2 3.61Å; V152-F266 HydrophobicContact CG2-CD1 4.12Å; V152-F266 HydrophobicContact CG2-CE1 3.41Å; V152-F266 VanDerWaalsContact CG2-CE1 3.41Å; V152-F266 HydrophobicContact CG2-CZ 3.79Å; V152-N269 WeakPolarHBondContact CA-O 3.18Å; V152-N269 WeakPolarHBondContact CG2-O 3.16Å; V152-M270 HydrophobicContact CB-SD 4.39Å
153E93.7Very high91.3Very high35 Ų3536 Ų3616%0.16419%0.188CC..EExtended strand (participates in β ladder)trans-125.1128.2176.8175.5-171.6-145.300109.2K121 M208 G268 N269K121-E153 IonicContact NZ-OE2 3.48Å; K121-E153 PolarHBondContact NZ-OE2 3.27Å; E153-M208 HydrophobicContact CB-CE 4.24Å; E153-M208 HydrophobicContact CB-SD 3.93Å; E153-G268 CarbonylContact O-C 3.58Å; E153-G268 WeakPolarHBondContact O-CA 3.35Å; E153-N269 HydrophobicContact CB-CB 4.41Å; E153-N269 PolarHBondContact N-O 2.7Å; E153-N269 PolarHBondContact O-N 2.65Å; E153-N269 PolarHBondContact OE2-ND2 2.99Å
154R92.6Very high91.3Very high39 Ų3935.8 Ų35.815%0.14719%0.187CC..EExtended strand (participates in β ladder)trans-93.3130.1-179.6-168.5-176.5-173.691-2.2111.2G156 S157 E161 F204 T205 S206 F266R154-G156 WeakPolarHBondContact CG-O 3.21Å; R154-G156 PolarHBondContact NE-O 2.88Å; R154-S157 VanDerWaalsContact NH2-CA 3.32Å; R154-E161 IonicContact CZ-OE1 3.25Å; R154-E161 IonicContact CZ-OE2 3.78Å; R154-E161 IonicContact NH1-OE1 2.84Å; R154-E161 PolarHBondContact NH1-OE1 3.03Å; R154-E161 IonicContact NH1-OE2 2.65Å; R154-E161 IonicContact NH2-OE1 2.72Å; R154-E161 PolarHBondContact NH2-OE1 2.91Å; R154-E161 IonicContact NH2-OE2 3.73Å; R154-E161 PolarHBondContact NH2-OE2 2.75Å; R154-F204 HydrophobicContact CB-CB 4.29Å; R154-F204 WeakPolarHBondContact CB-O 3.43Å; R154-F204 WeakPolarHBondContact CD-O 3.45Å; R154-T205 WeakPolarHBondContact CB-O 3.38Å; R154-T205 PolarHBondContact N-O 2.86Å; R154-S206 WeakPolarHBondContact O-CA 3.36Å; R154-F266 HydrophobicContact CB-CE1 4.45Å; R154-F266 HydrophobicContact CB-CZ 3.88Å; R154-F266 HydrophobicContact CG-CE2 4.46Å; R154-F266 HydrophobicContact CG-CZ 3.94Å
155T90.1Very high91.3Very high93 Ų9331.2 Ų31.257%0.57116%0.162SC*.  trans-113.4-15.3176.357.70000113.2K267T155-K267 PolarHBondContact N-O 3.13Å; T155-K267 PolarHBondContact OG1-O 2.79Å
156G85.8Confident91.3Very high24 Ų2427.8 Ų27.825%0.24715%0.146CC..  trans-170.2173.2175.200000111.2R154 K267R154-G156 WeakPolarHBondContact CG-O 3.21Å; R154-G156 PolarHBondContact NE-O 2.88Å; G156-K267 PolarHBondContact N-O 3.19Å; G156-K267 WeakPolarHBondContact O-CB 3.39Å
157S81Confident91Very high85 Ų8528.4 Ų28.459%0.59415%0.149SC*.  trans-113.6150.8179.856.30000112.2R154R154-S157 VanDerWaalsContact NH2-CA 3.32Å
158R81.4Confident90.6Very high75 Ų7529.6 Ų29.628%0.28316%0.155SC..  trans-128.2162.3166.9-65.9-173.9-179-159.41.8111N126 K160 E161 V263 S265 K267N126-R158 VanDerWaalsContact CG-NH2 3.3Å; N126-R158 PolarHBondContact OD1-NH2 2.93Å; R158-K160 VanDerWaalsContact C-N 3.26Å; R158-K160 WeakPolarHBondContact CB-O 3.32Å; R158-K160 PolarHBondContact O-N 3.21Å; R158-E161 HydrophobicContact CB-CB 4.35Å; R158-E161 PolarHBondContact N-OE2 3.01Å; R158-V263 PolarHBondContact NH1-O 2.89Å; R158-S265 WeakPolarHBondContact CD-O 3.22Å; R158-S265 PolarHBondContact NE-O 2.83Å; R158-K267 HydrophobicContact CG-CD 4.28Å; R158-K267 HydrophobicContact CG-CG 4.42Å
159Q81.2Confident90.1Very high147 Ų14735.4 Ų35.469%0.68719%0.185SC*.SBendtrans-66.1-29.5174.5-69.8-167.1-6.800113.1Q181Q159-Q181 HydrophobicContact CB-CG 4.31Å; Q159-Q181 VanDerWaalsContact O-CG 3.26Å; Q159-Q181 WeakPolarHBondContact O-CG 3.5Å
160K86.3Confident89.6Confident66 Ų6640.7 Ų40.729%0.28721%0.213SC..SBendtrans-139.5130.6172.2-62.6-176.9180-176.80108.1R158 Y179 Q181 Q264R158-K160 VanDerWaalsContact C-N 3.26Å; R158-K160 WeakPolarHBondContact CB-O 3.32Å; R158-K160 PolarHBondContact O-N 3.21Å; K160-Y179 WeakPolarHBondContact CA-O 3.25Å; K160-Q181 HydrophobicContact CD-CG 4.49Å; K160-Q181 HydrophobicContact CG-CG 3.87Å; K160-Q264 HydrophobicContact CB-CB 4.21Å; K160-Q264 HydrophobicContact CB-CG 4.13Å
161E90.1Very high89Confident3 Ų343.5 Ų43.51%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-151.1131.2-174.748.6-172.9-159.200112.6R154 R158 G178 Y179 Q264 F266R154-E161 IonicContact CZ-OE1 3.25Å; R154-E161 IonicContact CZ-OE2 3.78Å; R154-E161 IonicContact NH1-OE1 2.84Å; R154-E161 PolarHBondContact NH1-OE1 3.03Å; R154-E161 IonicContact NH1-OE2 2.65Å; R154-E161 IonicContact NH2-OE1 2.72Å; R154-E161 PolarHBondContact NH2-OE1 2.91Å; R154-E161 IonicContact NH2-OE2 3.73Å; R154-E161 PolarHBondContact NH2-OE2 2.75Å; R158-E161 HydrophobicContact CB-CB 4.35Å; R158-E161 PolarHBondContact N-OE2 3.01Å; E161-G178 CarbonylContact O-C 3.56Å; E161-G178 VanDerWaalsContact O-CA 3.26Å; E161-G178 WeakPolarHBondContact O-CA 3.32Å; E161-Y179 HydrophobicContact CG-CD1 4.37Å; E161-Y179 PolarHBondContact N-O 3.34Å; E161-Y179 PolarHBondContact O-N 2.73Å; E161-Q264 CarbonylContact C-O 3.52Å; E161-Q264 VanDerWaalsContact CA-O 3.26Å; E161-Q264 WeakPolarHBondContact CA-O 3.31Å; E161-F266 HydrophobicContact CB-CB 4.32Å; E161-F266 HydrophobicContact CG-CD2 4.4Å
162W91Very high88.6Confident3 Ų347.4 Ų47.41%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-116.5136.7-179.2-63.490000110.7S176 G178 E185 G252 G253 K254 Q264 F266W162-S176 WeakPolarHBondContact CZ3-OG 3.35Å; W162-G178 VanDerWaalsContact CZ3-N 3.28Å; W162-E185 HydrophobicContact CH2-CG 3.51Å; W162-E185 VanDerWaalsContact CH2-OE1 3.29Å; W162-E185 WeakPolarHBondContact CH2-OE1 3.47Å; W162-E185 HydrophobicContact CZ2-CG 4.35Å; W162-E185 HydrophobicContact CZ3-CG 4.34Å; W162-G252 WeakPolarHBondContact O-CA 3.21Å; W162-G253 WeakPolarHBondContact CB-O 3.16Å; W162-K254 HydrophobicContact CD2-CB 3.62Å; W162-K254 HydrophobicContact CD2-CD 3.61Å; W162-K254 HydrophobicContact CD2-CG 4.21Å; W162-K254 HydrophobicContact CE3-CB 4.47Å; W162-K254 HydrophobicContact CE3-CD 3.97Å; W162-K254 HydrophobicContact CG-CB 3.52Å; W162-K254 HydrophobicContact CG-CD 4.41Å; W162-K254 HydrophobicContact CH2-CD 3.46Å; W162-K254 VanDerWaalsContact CH2-CD 3.46Å; W162-K254 HydrophobicContact CZ2-CB 4.4Å; W162-K254 HydrophobicContact CZ2-CD 3.02Å; W162-K254 HydrophobicContact CZ2-CG 4.31Å; W162-K254 HydrophobicContact CZ3-CD 3.9Å; W162-Q264 VanDerWaalsContact CD1-O 3.25Å; W162-Q264 PolarHBondContact N-O 2.81Å; W162-F266 VanDerWaalsContact O-CB 3.22Å; W162-F266 WeakPolarHBondContact O-CB 3.33Å; W162-F266 PolarHBondContact O-N 3.15Å
163L92.9Very high88.3Confident1 Ų148.9 Ų48.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-83-45.4177.8-75.390.3000110.8F150 V152 F177 M184 F204 G252 F266 M270F150-L163 HydrophobicContact CD2-CD2 4.35Å; F150-L163 HydrophobicContact CE2-CD2 3.46Å; F150-L163 VanDerWaalsContact CE2-CD2 3.46Å; F150-L163 HydrophobicContact CZ-CD2 3.87Å; V152-L163 HydrophobicContact CB-CD2 4.43Å; V152-L163 HydrophobicContact CG1-CD2 4.3Å; V152-L163 HydrophobicContact CG2-CD2 4.13Å; L163-F177 HydrophobicContact CB-CD1 4.48Å; L163-F177 HydrophobicContact CD1-CD1 3.97Å; L163-F177 HydrophobicContact CD1-CE1 4.2Å; L163-F177 PolarHBondContact N-O 3.28Å; L163-M184 HydrophobicContact CD1-CE 4.5Å; L163-F204 HydrophobicContact CD1-CZ 4.38Å; L163-F204 HydrophobicContact CD2-CE1 4.11Å; L163-F204 HydrophobicContact CD2-CZ 4.37Å; L163-G252 PolarHBondContact O-N 2.81Å; L163-F266 HydrophobicContact CD1-CD2 4.17Å; L163-F266 HydrophobicContact CG-CB 4.4Å; L163-F266 HydrophobicContact CG-CD2 4.2Å; L163-F266 HydrophobicContact CG-CG 4.27Å; L163-M270 HydrophobicContact CB-CE 4Å; L163-M270 HydrophobicContact CD2-CE 4.04Å; L163-M270 HydrophobicContact CG-CE 4.45Å
164F93.9Very high88.2Confident0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-151.8155.5175.661.1-98.3000110.7I148 F150 L175 S176 F177 F249 K250 L273I148-F164 HydrophobicContact CB-CZ 4.41Å; I148-F164 HydrophobicContact CD1-CD2 4.42Å; I148-F164 HydrophobicContact CD1-CE1 4.5Å; I148-F164 HydrophobicContact CD1-CE2 3.56Å; I148-F164 HydrophobicContact CD1-CZ 3.6Å; I148-F164 HydrophobicContact CG2-CE1 4.06Å; I148-F164 HydrophobicContact CG2-CZ 4.17Å; F150-F164 HydrophobicContact CD1-CE1 4.35Å; F150-F164 HydrophobicContact CE1-CD1 4.45Å; F150-F164 AromaticContact CE1-CE1 3.78Å; F150-F164 HydrophobicContact CE1-CE1 3.78Å; F150-F164 HydrophobicContact CZ-CE1 4.39Å; F164-L175 HydrophobicContact CE2-CG 4.39Å; F164-S176 WeakPolarHBondContact O-CA 3.41Å; F164-F177 HydrophobicContact CD1-CB 4.38Å; F164-F177 HydrophobicContact CE1-CB 3.68Å; F164-F177 HydrophobicContact CE1-CD1 4.23Å; F164-F177 HydrophobicContact CE1-CG 4.28Å; F164-F177 HydrophobicContact CE2-CB 3.9Å; F164-F177 HydrophobicContact CZ-CB 3.4Å; F164-F177 VanDerWaalsContact CZ-CB 3.4Å; F164-F177 HydrophobicContact CZ-CG 4.25Å; F164-F177 PolarHBondContact O-N 2.79Å; F164-F249 HydrophobicContact CB-CE1 3.9Å; F164-F249 HydrophobicContact CB-CZ 3.75Å; F164-F249 AromaticContact CD2-CE2 3.89Å; F164-F249 HydrophobicContact CD2-CE2 3.89Å; F164-F249 AromaticContact CD2-CZ 3.56Å; F164-F249 HydrophobicContact CD2-CZ 3.56Å; F164-F249 HydrophobicContact CE2-CE2 4.44Å; F164-F249 HydrophobicContact CE2-CZ 4.32Å; F164-F249 HydrophobicContact CG-CE1 4.36Å; F164-F249 HydrophobicContact CG-CE2 4.49Å; F164-F249 AromaticContact CG-CZ 3.71Å; F164-F249 HydrophobicContact CG-CZ 3.71Å; F164-K250 WeakPolarHBondContact CA-O 3.17Å; F164-L273 HydrophobicContact CB-CD1 4.44Å; F164-L273 HydrophobicContact CD1-CD1 4.16Å
165T92.4Very high88.2Confident0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-145137.3176.5-68.80000110.9Y167 V173 L175 S176 K250 G252 G253T165-Y167 HydrophobicContact CG2-CD1 4.36Å; T165-Y167 HydrophobicContact CG2-CD2 3.98Å; T165-Y167 HydrophobicContact CG2-CE1 3.95Å; T165-Y167 HydrophobicContact CG2-CE2 3.51Å; T165-Y167 HydrophobicContact CG2-CG 4.4Å; T165-Y167 VanDerWaalsContact CG2-CZ 3.5Å; T165-V173 HydrophobicContact CG2-CG1 4.03Å; T165-V173 HydrophobicContact CG2-CG2 4.2Å; T165-L175 CarbonylContact C-O 3.25Å; T165-L175 WeakPolarHBondContact CA-O 3.48Å; T165-S176 VanDerWaalsContact OG1-CB 3.3Å; T165-S176 WeakPolarHBondContact OG1-CB 3.41Å; T165-K250 PolarHBondContact N-O 2.89Å; T165-K250 PolarHBondContact O-N 3.48Å; T165-G252 WeakPolarHBondContact CB-O 3.42Å; T165-G252 PolarHBondContact N-O 3.37Å; T165-G252 PolarHBondContact OG1-O 2.52Å; T165-G253 WeakPolarHBondContact CB-O 3.19Å; T165-G253 PolarHBondContact OG1-O 3.11Å
166Y93.2Very high88.4Confident3 Ų341.1 Ų41.11%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-111.9125.6172.6174.8-107000109.2I140 A174 L175 V243 P244 G247 V248 F249I140-Y166 HydrophobicContact CB-CE2 4.19Å; I140-Y166 HydrophobicContact CD1-CD2 3.95Å; I140-Y166 HydrophobicContact CD1-CE2 3.58Å; I140-Y166 HydrophobicContact CG1-CE2 4.48Å; I140-Y166 HydrophobicContact CG2-CE2 3.99Å; Y166-A174 HydrophobicContact CD1-CB 3.67Å; Y166-A174 HydrophobicContact CE1-CB 3.95Å; Y166-A174 PolarHBondContact O-N 3.26Å; Y166-L175 HydrophobicContact CD1-CB 4.27Å; Y166-L175 PolarHBondContact N-O 2.55Å; Y166-L175 PolarHBondContact O-N 2.82Å; Y166-L175 VanDerWaalsContact O-N 3.14Å; Y166-V243 HydrophobicContact CD1-CG1 3.58Å; Y166-V243 HydrophobicContact CE1-CG1 3.46Å; Y166-V243 VanDerWaalsContact CE1-CG1 3.46Å; Y166-P244 VanDerWaalsContact CE1-O 3.29Å; Y166-P244 WeakPolarHBondContact CE1-O 3.48Å; Y166-P244 PolarHBondContact OH-O 3.4Å; Y166-G247 WeakPolarHBondContact OH-CA 3.4Å; Y166-G247 PolarHBondContact OH-N 3.39Å; Y166-V248 WeakPolarHBondContact CA-O 3.29Å; Y166-F249 HydrophobicContact CD2-CB 4.07Å; Y166-F249 HydrophobicContact CD2-CD2 4.26Å; Y166-F249 HydrophobicContact CG-CD2 4.5Å
167Y90.4Very high88.8Confident14 Ų1440 Ų406%0.05521%0.206CC..EExtended strand (participates in β ladder)trans-103.5135.6179.8-63.5-87.1000109.9T165 N172 V173 G247 V248 K250 G255 L257T165-Y167 HydrophobicContact CG2-CD1 4.36Å; T165-Y167 HydrophobicContact CG2-CD2 3.98Å; T165-Y167 HydrophobicContact CG2-CE1 3.95Å; T165-Y167 HydrophobicContact CG2-CE2 3.51Å; T165-Y167 HydrophobicContact CG2-CG 4.4Å; T165-Y167 VanDerWaalsContact CG2-CZ 3.5Å; Y167-N172 CarbonylContact C-O 3.51Å; Y167-N172 WeakPolarHBondContact CA-O 3.48Å; Y167-V173 HydrophobicContact CD1-CG2 4.27Å; Y167-V173 HydrophobicContact CE1-CG2 3.87Å; Y167-G247 CarbonylContact O-C 3.58Å; Y167-G247 WeakPolarHBondContact O-CA 3.39Å; Y167-V248 PolarHBondContact N-O 3.28Å; Y167-V248 PolarHBondContact O-N 3.12Å; Y167-K250 HydrophobicContact CE2-CD 4.49Å; Y167-G255 WeakPolarHBondContact CE1-O 3.38Å; Y167-G255 PolarHBondContact OH-O 2.81Å; Y167-L257 HydrophobicContact CD2-CD1 4.45Å; Y167-L257 HydrophobicContact CE2-CD1 4.44Å
168D88.4Confident89.4Confident24 Ų2436 Ų3613%0.12818%0.177CC..  trans-69.2177.317272.35.7000112N170 N171 N172 A174 P244D168-N170 PolarHBondContact O-N 3.47Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 VanDerWaalsContact OD1-CA 3.24Å; D168-N170 WeakPolarHBondContact OD1-CA 3.5Å; D168-N170 WeakPolarHBondContact OD1-CB 3.42Å; D168-N170 PolarHBondContact OD1-N 3.49Å; D168-N171 PolarHBondContact O-N 3.5Å; D168-N171 PolarHBondContact OD1-N 3.34Å; D168-N172 PolarHBondContact N-O 2.82Å; D168-N172 PolarHBondContact OD1-N 2.71Å; D168-N172 PolarHBondContact OD2-ND2 2.88Å; D168-A174 HydrophobicContact CB-CB 4.11Å; D168-P244 HydrophobicContact CB-CG 3.79Å
169I86.4Confident89.8Confident123 Ų12335 Ų3563%0.63117%0.174SC*.THydrogen-bonded Turntrans-58.4-19.4175.459.9171.1000114G246I169-G246 WeakPolarHBondContact CG2-O 3.22Å
170N86.3Confident90Very high111 Ų11129.9 Ų29.959%0.59415%0.151SC*.THydrogen-bonded Turntrans-97.27.6178.6-60-50.3000112.2D168 N172D168-N170 PolarHBondContact O-N 3.47Å; D168-N170 VanDerWaalsContact O-N 3.08Å; D168-N170 VanDerWaalsContact OD1-CA 3.24Å; D168-N170 WeakPolarHBondContact OD1-CA 3.5Å; D168-N170 WeakPolarHBondContact OD1-CB 3.42Å; D168-N170 PolarHBondContact OD1-N 3.49Å; N170-N172 VanDerWaalsContact C-N 3.26Å; N170-N172 WeakPolarHBondContact CB-ND2 3.03Å; N170-N172 PolarHBondContact O-N 3.25Å
171N83.1Confident90Very high58 Ų5831.5 Ų31.531%0.3116%0.16SC..SBendtrans63.222-175.1-60.5-51.8000115.4D168 L257D168-N171 PolarHBondContact O-N 3.5Å; D168-N171 PolarHBondContact OD1-N 3.34Å; N171-L257 HydrophobicContact CB-CB 3.94Å
172N85.4Confident89.7Confident92 Ų9237.2 Ų37.249%0.49220%0.195SC..  trans-83.8152170-56.6-52.3000110.7Y167 D168 N170 A174Y167-N172 CarbonylContact C-O 3.51Å; Y167-N172 WeakPolarHBondContact CA-O 3.48Å; D168-N172 PolarHBondContact N-O 2.82Å; D168-N172 PolarHBondContact OD1-N 2.71Å; D168-N172 PolarHBondContact OD2-ND2 2.88Å; N170-N172 VanDerWaalsContact C-N 3.26Å; N170-N172 WeakPolarHBondContact CB-ND2 3.03Å; N170-N172 PolarHBondContact O-N 3.25Å; N172-A174 PolarHBondContact O-N 3.07Å; N172-A174 VanDerWaalsContact O-N 3.09Å
173V88.6Confident89.6Confident30 Ų3037.4 Ų37.418%0.18220%0.198CC..EExtended strand (participates in β ladder)trans-73.1104176.3177.70000109.3T165 Y167 V187 K254T165-V173 HydrophobicContact CG2-CG1 4.03Å; T165-V173 HydrophobicContact CG2-CG2 4.2Å; Y167-V173 HydrophobicContact CD1-CG2 4.27Å; Y167-V173 HydrophobicContact CE1-CG2 3.87Å; V173-V187 HydrophobicContact CG1-CB 4.4Å; V173-V187 HydrophobicContact CG1-CG1 4.21Å; V173-K254 HydrophobicContact CG2-CG 4.26Å
174A91.2Very high89.6Confident2 Ų237.5 Ų37.52%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-93.3-29.2-179.700000112.7Y166 D168 N172 D189 V243 P244Y166-A174 HydrophobicContact CD1-CB 3.67Å; Y166-A174 HydrophobicContact CE1-CB 3.95Å; Y166-A174 PolarHBondContact O-N 3.26Å; D168-A174 HydrophobicContact CB-CB 4.11Å; N172-A174 PolarHBondContact O-N 3.07Å; N172-A174 VanDerWaalsContact O-N 3.09Å; A174-D189 PolarHBondContact O-N 2.9Å; A174-V243 HydrophobicContact CB-CG1 4.42Å; A174-P244 HydrophobicContact CB-CG 3.95Å
175L93.6Very high89.6Confident2 Ų238.2 Ų38.21%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-150.1132.3171.6166.374.9000109.7L146 I148 F164 T165 Y166 M186 V187 I188 V243L146-L175 HydrophobicContact CD2-CD1 4.22Å; L146-L175 HydrophobicContact CD2-CD2 3.79Å; I148-L175 HydrophobicContact CD1-CD2 3.92Å; F164-L175 HydrophobicContact CE2-CG 4.39Å; T165-L175 CarbonylContact C-O 3.25Å; T165-L175 WeakPolarHBondContact CA-O 3.48Å; Y166-L175 HydrophobicContact CD1-CB 4.27Å; Y166-L175 PolarHBondContact N-O 2.55Å; Y166-L175 PolarHBondContact O-N 2.82Å; Y166-L175 VanDerWaalsContact O-N 3.14Å; L175-M186 HydrophobicContact CD1-CE 3.5Å; L175-M186 VanDerWaalsContact CD1-CE 3.5Å; L175-V187 CarbonylContact C-O 3.52Å; L175-V187 VanDerWaalsContact CA-O 3.24Å; L175-V187 WeakPolarHBondContact CA-O 3.45Å; L175-V187 WeakPolarHBondContact CD1-O 3.4Å; L175-I188 HydrophobicContact CD1-CG1 4.28Å; L175-V243 HydrophobicContact CB-CG1 4.22Å; L175-V243 HydrophobicContact CB-CG2 4.32Å
176S93.9Very high89.6Confident0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-152.9152.1173.875.80000112.3W162 F164 T165 M186 V187W162-S176 WeakPolarHBondContact CZ3-OG 3.35Å; F164-S176 WeakPolarHBondContact O-CA 3.41Å; T165-S176 VanDerWaalsContact OG1-CB 3.3Å; T165-S176 WeakPolarHBondContact OG1-CB 3.41Å; S176-M186 CarbonylContact O-C 3.43Å; S176-M186 VanDerWaalsContact O-CA 3.31Å; S176-M186 WeakPolarHBondContact O-CA 3.31Å; S176-V187 PolarHBondContact N-O 3.42Å; S176-V187 PolarHBondContact O-N 2.97Å; S176-V187 WeakPolarHBondContact OG-CB 3.37Å; S176-V187 VanDerWaalsContact OG-CG2 3.32Å; S176-V187 WeakPolarHBondContact OG-CG2 3.38Å
177F94.7Very high89.6Confident1 Ų138.3 Ų38.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-134.7126.2176.5-177.4-103.5000111F150 L163 F164 M184 M186 V195 I199 F204 V213F150-F177 HydrophobicContact CZ-CD1 4.34Å; F150-F177 HydrophobicContact CZ-CE1 4.26Å; L163-F177 HydrophobicContact CB-CD1 4.48Å; L163-F177 HydrophobicContact CD1-CD1 3.97Å; L163-F177 HydrophobicContact CD1-CE1 4.2Å; L163-F177 PolarHBondContact N-O 3.28Å; F164-F177 HydrophobicContact CD1-CB 4.38Å; F164-F177 HydrophobicContact CE1-CB 3.68Å; F164-F177 HydrophobicContact CE1-CD1 4.23Å; F164-F177 HydrophobicContact CE1-CG 4.28Å; F164-F177 HydrophobicContact CE2-CB 3.9Å; F164-F177 HydrophobicContact CZ-CB 3.4Å; F164-F177 VanDerWaalsContact CZ-CB 3.4Å; F164-F177 HydrophobicContact CZ-CG 4.25Å; F164-F177 PolarHBondContact O-N 2.79Å; F177-M184 HydrophobicContact CD1-CE 4.33Å; F177-M184 HydrophobicContact CE1-CE 3.6Å; F177-M184 HydrophobicContact CE2-CE 4.18Å; F177-M184 HydrophobicContact CZ-CE 3.52Å; F177-M186 HydrophobicContact CD2-CB 4.16Å; F177-M186 HydrophobicContact CD2-CG 4.36Å; F177-V195 HydrophobicContact CE2-CG2 4Å; F177-I199 HydrophobicContact CE2-CG2 4.42Å; F177-I199 HydrophobicContact CZ-CD1 4.36Å; F177-I199 HydrophobicContact CZ-CG2 4.06Å; F177-F204 HydrophobicContact CE1-CZ 4.22Å; F177-V213 HydrophobicContact CD1-CG2 4.2Å; F177-V213 HydrophobicContact CD2-CG1 4.18Å; F177-V213 HydrophobicContact CD2-CG2 4.15Å; F177-V213 HydrophobicContact CE1-CG2 4Å; F177-V213 HydrophobicContact CE2-CG1 4.31Å; F177-V213 HydrophobicContact CE2-CG2 3.92Å; F177-V213 HydrophobicContact CG-CG2 4.27Å; F177-V213 HydrophobicContact CZ-CG2 3.86Å
178G92.5Very high89.6Confident0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans177.5-177.8-173.900000114.5E161 W162 M184 E185E161-G178 CarbonylContact O-C 3.56Å; E161-G178 VanDerWaalsContact O-CA 3.26Å; E161-G178 WeakPolarHBondContact O-CA 3.32Å; W162-G178 VanDerWaalsContact CZ3-N 3.28Å; G178-M184 WeakPolarHBondContact O-CA 3.19Å; G178-E185 PolarHBondContact N-O 3.38Å; G178-E185 PolarHBondContact O-N 3.18Å; G178-E185 VanDerWaalsContact O-O 3.09Å
179Y90.9Very high89.6Confident56 Ų5639.5 Ų39.522%0.2221%0.21CC..EExtended strand (participates in β ladder)trans-98.2124.4176.8-179.2-108.5000110.8K160 E161 Q181 G183 M184 V201K160-Y179 WeakPolarHBondContact CA-O 3.25Å; E161-Y179 HydrophobicContact CG-CD1 4.37Å; E161-Y179 PolarHBondContact N-O 3.34Å; E161-Y179 PolarHBondContact O-N 2.73Å; Y179-Q181 PolarHBondContact OH-O 2.82Å; Y179-G183 VanDerWaalsContact CD2-C 3.41Å; Y179-M184 HydrophobicContact CD2-CG 4.4Å; Y179-M184 HydrophobicContact CD2-SD 4.26Å; Y179-M184 HydrophobicContact CG-SD 4.49Å; Y179-V201 HydrophobicContact CD1-CG2 4.29Å; Y179-V201 HydrophobicContact CD2-CB 4.48Å; Y179-V201 HydrophobicContact CD2-CG2 3.02Å; Y179-V201 HydrophobicContact CE2-CG2 3.46Å; Y179-V201 VanDerWaalsContact CE2-CG2 3.46Å; Y179-V201 HydrophobicContact CG-CG2 3.47Å; Y179-V201 VanDerWaalsContact CG-CG2 3.47Å
180N85.9Confident89.3Confident38 Ų3836.3 Ų36.320%0.20321%0.208CC..EExtended strand (participates in β ladder)trans-99.5158.2163.7-168.73.2000108.1T182 G183 E185N180-T182 PolarHBondContact O-N 3.17Å; N180-G183 PolarHBondContact N-O 3.45Å; N180-G183 PolarHBondContact O-N 3.33Å; N180-G183 VanDerWaalsContact O-O 3.09Å; N180-E185 HydrophobicContact CB-CG 4.23Å; N180-E185 WeakPolarHBondContact CB-OE2 3.5Å; N180-E185 PolarHBondContact ND2-OE1 2.81Å; N180-E185 PolarHBondContact ND2-OE2 2.79Å
181Q85.1Confident89.4Confident101 Ų10132.1 Ų32.147%0.47219%0.186SC..THydrogen-bonded Turntrans-49.7-21.9-175.6-73.3168.2-2800114.6Q159 K160 Y179Q159-Q181 HydrophobicContact CB-CG 4.31Å; Q159-Q181 VanDerWaalsContact O-CG 3.26Å; Q159-Q181 WeakPolarHBondContact O-CG 3.5Å; K160-Q181 HydrophobicContact CD-CG 4.49Å; K160-Q181 HydrophobicContact CG-CG 3.87Å; Y179-Q181 PolarHBondContact OH-O 2.82Å
182T83.7Confident89.8Confident123 Ų12332.5 Ų32.576%0.75519%0.19SC*.THydrogen-bonded Turntrans-94.8-9.1-179.852.40000115.3N180N180-T182 PolarHBondContact O-N 3.17Å
183G89.4Confident90.1Very high7 Ų728.2 Ų28.27%0.07217%0.167CC..EExtended strand (participates in β ladder)trans144.2171.4-174.900000113.8Y179 N180 E196Y179-G183 VanDerWaalsContact CD2-C 3.41Å; N180-G183 PolarHBondContact N-O 3.45Å; N180-G183 PolarHBondContact O-N 3.33Å; N180-G183 VanDerWaalsContact O-O 3.09Å; G183-E196 VanDerWaalsContact CA-OE2 3.24Å; G183-E196 WeakPolarHBondContact CA-OE2 3.33Å
184M92.9Very high90.3Very high2 Ų230.6 Ų30.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-64.3132.3170.1-68.1-67.1-64.800110.4L163 F177 G178 Y179 V195 E196 I199 V201 F204L163-M184 HydrophobicContact CD1-CE 4.5Å; F177-M184 HydrophobicContact CD1-CE 4.33Å; F177-M184 HydrophobicContact CE1-CE 3.6Å; F177-M184 HydrophobicContact CE2-CE 4.18Å; F177-M184 HydrophobicContact CZ-CE 3.52Å; G178-M184 WeakPolarHBondContact O-CA 3.19Å; Y179-M184 HydrophobicContact CD2-CG 4.4Å; Y179-M184 HydrophobicContact CD2-SD 4.26Å; Y179-M184 HydrophobicContact CG-SD 4.49Å; M184-V195 HydrophobicContact CB-CG2 3.8Å; M184-V195 CarbonylContact O-C 3.6Å; M184-V195 WeakPolarHBondContact O-CG2 3.2Å; M184-V195 PolarHBondContact O-N 2.75Å; M184-E196 PolarHBondContact N-OE2 3.05Å; M184-E196 PolarHBondContact O-N 3.47Å; M184-E196 VanDerWaalsContact O-N 3.08Å; M184-I199 HydrophobicContact CB-CG2 4.32Å; M184-I199 WeakPolarHBondContact CB-O 3.48Å; M184-I199 WeakPolarHBondContact CG-O 3.4Å; M184-V201 HydrophobicContact CG-CG2 3.98Å; M184-V201 HydrophobicContact SD-CG2 3.78Å; M184-F204 HydrophobicContact CE-CE2 3.63Å; M184-F204 HydrophobicContact CE-CZ 3.82Å; M184-F204 HydrophobicContact SD-CE2 3.94Å
185E93.6Very high90.4Very high15 Ų1530.6 Ų30.67%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-140.1149.7178.374.6-173.3-15900111W162 G178 N180 V192 C193 K254W162-E185 HydrophobicContact CH2-CG 3.51Å; W162-E185 VanDerWaalsContact CH2-OE1 3.29Å; W162-E185 WeakPolarHBondContact CH2-OE1 3.47Å; W162-E185 HydrophobicContact CZ2-CG 4.35Å; W162-E185 HydrophobicContact CZ3-CG 4.34Å; G178-E185 PolarHBondContact N-O 3.38Å; G178-E185 PolarHBondContact O-N 3.18Å; G178-E185 VanDerWaalsContact O-O 3.09Å; N180-E185 HydrophobicContact CB-CG 4.23Å; N180-E185 WeakPolarHBondContact CB-OE2 3.5Å; N180-E185 PolarHBondContact ND2-OE1 2.81Å; N180-E185 PolarHBondContact ND2-OE2 2.79Å; E185-V192 HydrophobicContact CB-CG1 3.91Å; E185-V192 HydrophobicContact CG-CG1 4.05Å; E185-V192 WeakPolarHBondContact OE2-CG1 3.44Å; E185-C193 WeakPolarHBondContact CA-O 3.06Å; E185-K254 IonicContact OE1-NZ 2.81Å; E185-K254 PolarHBondContact OE1-NZ 2.92Å
186M92.7Very high90.3Very high0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-114.5130.3172-172.8176.2-178.700108.5L146 L175 S176 F177 I188 C193 V195 V213 W215 V222L146-M186 HydrophobicContact CD1-CE 4.15Å; L175-M186 HydrophobicContact CD1-CE 3.5Å; L175-M186 VanDerWaalsContact CD1-CE 3.5Å; S176-M186 CarbonylContact O-C 3.43Å; S176-M186 VanDerWaalsContact O-CA 3.31Å; S176-M186 WeakPolarHBondContact O-CA 3.31Å; F177-M186 HydrophobicContact CD2-CB 4.16Å; F177-M186 HydrophobicContact CD2-CG 4.36Å; M186-I188 HydrophobicContact CE-CD1 4.33Å; M186-I188 HydrophobicContact CE-CG1 4.19Å; M186-I188 HydrophobicContact CG-CD1 4.32Å; M186-I188 HydrophobicContact CG-CG1 4.29Å; M186-I188 HydrophobicContact SD-CD1 4.21Å; M186-C193 HydrophobicContact CB-CB 4.48Å; M186-C193 PolarHBondContact N-O 2.87Å; M186-C193 WeakPolarHBondContact O-CB 3.21Å; M186-C193 PolarHBondContact O-N 3.35Å; M186-V195 HydrophobicContact CB-CG1 4.39Å; M186-V213 HydrophobicContact CE-CG1 3.83Å; M186-V213 HydrophobicContact SD-CG1 3.58Å; M186-V213 VanDerWaalsContact SD-CG1 3.58Å; M186-W215 HydrophobicContact CE-CB 4.03Å; M186-V222 HydrophobicContact SD-CG1 3.67Å
187V91.9Very high90.1Very high5 Ų537.9 Ų37.93%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-99.7133.1174-176.30000108.9V173 L175 S176 V191 V192V173-V187 HydrophobicContact CG1-CB 4.4Å; V173-V187 HydrophobicContact CG1-CG1 4.21Å; L175-V187 CarbonylContact C-O 3.52Å; L175-V187 VanDerWaalsContact CA-O 3.24Å; L175-V187 WeakPolarHBondContact CA-O 3.45Å; L175-V187 WeakPolarHBondContact CD1-O 3.4Å; S176-V187 PolarHBondContact N-O 3.42Å; S176-V187 PolarHBondContact O-N 2.97Å; S176-V187 WeakPolarHBondContact OG-CB 3.37Å; S176-V187 VanDerWaalsContact OG-CG2 3.32Å; S176-V187 WeakPolarHBondContact OG-CG2 3.38Å; V187-V191 CarbonylContact C-O 3.58Å; V187-V191 VanDerWaalsContact CA-O 3.24Å; V187-V191 WeakPolarHBondContact CA-O 3.34Å; V187-V192 HydrophobicContact CG2-CG2 4.31Å
188I91.9Very high90Very high0 Ų038.8 Ų38.80%023%0.231CC..EExtended strand (participates in β ladder)trans-134.6115.8176.6-64.1146.4000107.2L175 M186 G190 V191 W215 V222 V243L175-I188 HydrophobicContact CD1-CG1 4.28Å; M186-I188 HydrophobicContact CE-CD1 4.33Å; M186-I188 HydrophobicContact CE-CG1 4.19Å; M186-I188 HydrophobicContact CG-CD1 4.32Å; M186-I188 HydrophobicContact CG-CG1 4.29Å; M186-I188 HydrophobicContact SD-CD1 4.21Å; I188-G190 VanDerWaalsContact C-N 3.28Å; I188-G190 PolarHBondContact O-N 3.21Å; I188-V191 PolarHBondContact N-O 3.23Å; I188-V191 WeakPolarHBondContact O-CA 3.46Å; I188-V191 WeakPolarHBondContact O-CB 3.26Å; I188-V191 PolarHBondContact O-N 3.22Å; I188-W215 HydrophobicContact CD1-CB 4.25Å; I188-W215 HydrophobicContact CD1-CD2 3.99Å; I188-W215 HydrophobicContact CD1-CG 3.6Å; I188-W215 HydrophobicContact CG1-CD2 4.25Å; I188-W215 HydrophobicContact CG1-CG 4.27Å; I188-W215 HydrophobicContact CG2-CD2 4.06Å; I188-W215 HydrophobicContact CG2-CE3 4.27Å; I188-W215 HydrophobicContact CG2-CH2 3.73Å; I188-W215 HydrophobicContact CG2-CZ2 3.49Å; I188-W215 VanDerWaalsContact CG2-CZ2 3.49Å; I188-W215 HydrophobicContact CG2-CZ3 4.12Å; I188-V222 HydrophobicContact CD1-CG2 4.07Å; I188-V243 HydrophobicContact CG2-CG2 4.18Å
189D87.8Confident90Very high64 Ų6438.9 Ų38.934%0.34223%0.232SC..THydrogen-bonded Turntrans48.347.7180-169.136.3000112.9A174 V191 H241A174-D189 PolarHBondContact O-N 2.9Å; D189-V191 PolarHBondContact O-N 3.1Å; D189-V191 VanDerWaalsContact O-N 3.17Å; D189-H241 HydrophobicContact CB-CB 4.14Å; D189-H241 IonicContact OD2-CE1 2.68Å; D189-H241 IonicContact OD2-CG 2.7Å; D189-H241 IonicContact OD2-ND1 2.78Å; D189-H241 PolarHBondContact OD2-ND1 3.14Å
190G80.9Confident90Very high56 Ų5638.3 Ų38.358%0.57724%0.236SC*.THydrogen-bonded Turntrans77-11.1-176.700000115.9I188I188-G190 VanDerWaalsContact C-N 3.28Å; I188-G190 PolarHBondContact O-N 3.21Å
191V88.4Confident90.1Very high23 Ų2337.5 Ų37.514%0.13923%0.233CC..EExtended strand (participates in β ladder)trans-82.7129.4177.3179.80000110.9V187 I188 D189 P237 H241V187-V191 CarbonylContact C-O 3.58Å; V187-V191 VanDerWaalsContact CA-O 3.24Å; V187-V191 WeakPolarHBondContact CA-O 3.34Å; I188-V191 PolarHBondContact N-O 3.23Å; I188-V191 WeakPolarHBondContact O-CA 3.46Å; I188-V191 WeakPolarHBondContact O-CB 3.26Å; I188-V191 PolarHBondContact O-N 3.22Å; D189-V191 PolarHBondContact O-N 3.1Å; D189-V191 VanDerWaalsContact O-N 3.17Å; V191-P237 HydrophobicContact CG1-CB 3.43Å; V191-P237 VanDerWaalsContact CG1-CB 3.43Å; V191-H241 WeakPolarHBondContact CG2-NE2 3.45Å
192V91.1Very high90.2Very high66 Ų6636.7 Ų36.740%0.424%0.243SC..EExtended strand (participates in β ladder)trans-93.4119.9177.3-174.30000110.8E185 V187E185-V192 HydrophobicContact CB-CG1 3.91Å; E185-V192 HydrophobicContact CG-CG1 4.05Å; E185-V192 WeakPolarHBondContact OE2-CG1 3.44Å; V187-V192 HydrophobicContact CG2-CG2 4.31Å
193C92.1Very high90.5Very high1 Ų133.9 Ų33.91%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-106.5107.9174.6-65.70000110.7E185 M186 V195 V222 C235E185-C193 WeakPolarHBondContact CA-O 3.06Å; M186-C193 HydrophobicContact CB-CB 4.48Å; M186-C193 PolarHBondContact N-O 2.87Å; M186-C193 WeakPolarHBondContact O-CB 3.21Å; M186-C193 PolarHBondContact O-N 3.35Å; C193-V195 PolarHBondContact O-N 3.36Å; C193-V222 HydrophobicContact CB-CG2 4.25Å; C193-C235 VanDerWaalsContact CA-SG 3.5Å; C193-C235 HydrophobicContact CB-CB 3.77Å; C193-C235 WeakPolarHBondContact CB-SG 3.48Å; C193-C235 WeakPolarHBondContact SG-CB 3.34Å; C193-C235 CovalentContact SG-SG 2.03Å; C193-C235 PolarHBondContact SG-SG 3.11Å
194P91.8Very high90.6Very high81 Ų8133.8 Ų33.853%0.52622%0.219SC..EExtended strand (participates in β ladder)trans-70.9118.5176.8-18.431.7000111.9K233P194-K233 PolarHBondContact O-NZ 3.02Å
195V93.6Very high90.6Very high2 Ų235.6 Ų35.61%0.01223%0.23CC..  trans-1145.3-175.8-63.50000113.9F177 M184 M186 C193 S197 I198 I199 V222F177-V195 HydrophobicContact CE2-CG2 4Å; M184-V195 HydrophobicContact CB-CG2 3.8Å; M184-V195 CarbonylContact O-C 3.6Å; M184-V195 WeakPolarHBondContact O-CG2 3.2Å; M184-V195 PolarHBondContact O-N 2.75Å; M186-V195 HydrophobicContact CB-CG1 4.39Å; C193-V195 PolarHBondContact O-N 3.36Å; V195-S197 PolarHBondContact O-N 2.69Å; V195-I198 HydrophobicContact CB-CD1 4.03Å; V195-I198 HydrophobicContact CB-CG1 3.8Å; V195-I198 HydrophobicContact CG1-CD1 4.04Å; V195-I198 HydrophobicContact CG1-CG1 4.35Å; V195-I198 WeakPolarHBondContact O-CG1 3.44Å; V195-I198 PolarHBondContact O-N 2.76Å; V195-I199 HydrophobicContact CB-CG2 4.31Å; V195-I199 HydrophobicContact CG2-CG2 3.97Å; V195-I199 PolarHBondContact O-N 3.07Å; V195-V222 HydrophobicContact CG1-CB 4.45Å; V195-V222 HydrophobicContact CG1-CG1 3.7Å
196E92.1Very high90.3Very high69 Ų6939.6 Ų39.632%0.32226%0.26SS..THydrogen-bonded Turntrans-49.7-33.7176.7-173.361.2-150.300113.7G183 M184 I198 I199 S200G183-E196 VanDerWaalsContact CA-OE2 3.24Å; G183-E196 WeakPolarHBondContact CA-OE2 3.33Å; M184-E196 PolarHBondContact N-OE2 3.05Å; M184-E196 PolarHBondContact O-N 3.47Å; M184-E196 VanDerWaalsContact O-N 3.08Å; E196-I198 VanDerWaalsContact C-N 3.26Å; E196-I198 PolarHBondContact O-N 3.48Å; E196-I199 CarbonylContact C-O 3.42Å; E196-I199 VanDerWaalsContact CA-O 3.31Å; E196-I199 WeakPolarHBondContact CA-O 3.26Å; E196-S200 VanDerWaalsContact OE1-CB 3.28Å; E196-S200 WeakPolarHBondContact OE1-CB 3.46Å; E196-S200 PolarHBondContact OE1-OG 3.44Å
197S89.8Confident90.2Very high86 Ų8642.7 Ų42.760%0.60128%0.281SS*.THydrogen-bonded Turntrans-72.1-14.6179.358.70000114.7V195 K233V195-S197 PolarHBondContact O-N 2.69Å; S197-K233 WeakPolarHBondContact OG-CD 3.3Å; S197-K233 PolarHBondContact OG-NZ 2.97Å
198I92Very high90.2Very high19 Ų1944.6 Ų44.610%0.09729%0.29CS..THydrogen-bonded Turntrans-116.3-20.2179.759.6170.4000112.9V195 E196 V224 K233V195-I198 HydrophobicContact CB-CD1 4.03Å; V195-I198 HydrophobicContact CB-CG1 3.8Å; V195-I198 HydrophobicContact CG1-CD1 4.04Å; V195-I198 HydrophobicContact CG1-CG1 4.35Å; V195-I198 WeakPolarHBondContact O-CG1 3.44Å; V195-I198 PolarHBondContact O-N 2.76Å; E196-I198 VanDerWaalsContact C-N 3.26Å; E196-I198 PolarHBondContact O-N 3.48Å; I198-V224 HydrophobicContact CD1-CG2 3.99Å; I198-V224 HydrophobicContact CG1-CG2 4.41Å; I198-K233 HydrophobicContact CD1-CB 4.42Å; I198-K233 HydrophobicContact CG2-CB 4.04Å
199I93.3Very high90.2Very high3 Ų347.1 Ų47.12%0.01530%0.301CS..  trans-150.1128.7171.5-177.3159000109.5F177 M184 V195 E196 F204 F211 V224F177-I199 HydrophobicContact CE2-CG2 4.42Å; F177-I199 HydrophobicContact CZ-CD1 4.36Å; F177-I199 HydrophobicContact CZ-CG2 4.06Å; M184-I199 HydrophobicContact CB-CG2 4.32Å; M184-I199 WeakPolarHBondContact CB-O 3.48Å; M184-I199 WeakPolarHBondContact CG-O 3.4Å; V195-I199 HydrophobicContact CB-CG2 4.31Å; V195-I199 HydrophobicContact CG2-CG2 3.97Å; V195-I199 PolarHBondContact O-N 3.07Å; E196-I199 CarbonylContact C-O 3.42Å; E196-I199 VanDerWaalsContact CA-O 3.31Å; E196-I199 WeakPolarHBondContact CA-O 3.26Å; I199-F204 HydrophobicContact CD1-CE1 4.24Å; I199-F204 HydrophobicContact CD1-CE2 4.47Å; I199-F204 HydrophobicContact CD1-CZ 3.77Å; I199-F204 HydrophobicContact CG1-CZ 4.38Å; I199-F211 HydrophobicContact CD1-CD1 3.83Å; I199-F211 HydrophobicContact CD1-CE1 3.89Å; I199-V224 HydrophobicContact CB-CG1 4.44Å; I199-V224 HydrophobicContact CB-CG2 4.4Å; I199-V224 HydrophobicContact CD1-CG1 3.83Å; I199-V224 HydrophobicContact CG2-CG2 3.95Å
200S90.4Very high90.4Very high43 Ų4347 Ų4730%0.30130%0.298SS..  trans-108.2157174.8-171.50000110.8E196 A202 E203E196-S200 VanDerWaalsContact OE1-CB 3.28Å; E196-S200 WeakPolarHBondContact OE1-CB 3.46Å; E196-S200 PolarHBondContact OE1-OG 3.44Å; S200-A202 PolarHBondContact O-N 3.25Å; S200-A202 VanDerWaalsContact O-N 3.14Å; S200-E203 WeakPolarHBondContact O-CB 3.32Å; S200-E203 PolarHBondContact O-N 3.07Å; S200-E203 VanDerWaalsContact O-N 3.1Å
201V87.2Confident91.1Very high22 Ų2244.4 Ų44.413%0.13327%0.271CS..G310 helixtrans-58.1-28.5179.1-176.10000112.7Y179 M184 E203 F204Y179-V201 HydrophobicContact CD1-CG2 4.29Å; Y179-V201 HydrophobicContact CD2-CB 4.48Å; Y179-V201 HydrophobicContact CD2-CG2 3.02Å; Y179-V201 HydrophobicContact CE2-CG2 3.46Å; Y179-V201 VanDerWaalsContact CE2-CG2 3.46Å; Y179-V201 HydrophobicContact CG-CG2 3.47Å; Y179-V201 VanDerWaalsContact CG-CG2 3.47Å; M184-V201 HydrophobicContact CG-CG2 3.98Å; M184-V201 HydrophobicContact SD-CG2 3.78Å; V201-E203 PolarHBondContact O-N 2.03Å; V201-F204 WeakPolarHBondContact O-CD2 3.38Å; V201-F204 PolarHBondContact O-N 2.65Å
202A87.1Confident91.5Very high83 Ų8343.3 Ų43.369%0.68626%0.264SS*.G310 helixtrans-63.6-20.3179.400000113.7S200 F204S200-A202 PolarHBondContact O-N 3.25Å; S200-A202 VanDerWaalsContact O-N 3.14Å; A202-F204 VanDerWaalsContact C-N 3.26Å; A202-F204 PolarHBondContact O-N 3.2Å
203E91.3Very high91.7Very high64 Ų6440.1 Ų40.130%0.29925%0.245SC..G310 helixtrans-72-21.5178.8-65.7-62.2163.600112.9S200 V201 T205 F211 F226S200-E203 WeakPolarHBondContact O-CB 3.32Å; S200-E203 PolarHBondContact O-N 3.07Å; S200-E203 VanDerWaalsContact O-N 3.1Å; V201-E203 PolarHBondContact O-N 2.03Å; E203-T205 PolarHBondContact O-N 3.24Å; E203-F211 HydrophobicContact CB-CE1 4.39Å; E203-F226 HydrophobicContact CB-CE2 4.34Å; E203-F226 HydrophobicContact CG-CE2 3.83Å; E203-F226 HydrophobicContact CG-CZ 4.02Å; E203-F226 WeakPolarHBondContact OE2-CE2 3.3Å
204F92Very high91.9Very high6 Ų640.2 Ų40.23%0.02625%0.245CC..  trans-80.597.6175.1-55.3-64.8000110.4V152 R154 L163 F177 M184 I199 V201 A202 F211 F266V152-F204 HydrophobicContact CG1-CD1 3.46Å; V152-F204 VanDerWaalsContact CG1-CD1 3.46Å; V152-F204 HydrophobicContact CG1-CE1 3.84Å; R154-F204 HydrophobicContact CB-CB 4.29Å; R154-F204 WeakPolarHBondContact CB-O 3.43Å; R154-F204 WeakPolarHBondContact CD-O 3.45Å; L163-F204 HydrophobicContact CD1-CZ 4.38Å; L163-F204 HydrophobicContact CD2-CE1 4.11Å; L163-F204 HydrophobicContact CD2-CZ 4.37Å; F177-F204 HydrophobicContact CE1-CZ 4.22Å; M184-F204 HydrophobicContact CE-CE2 3.63Å; M184-F204 HydrophobicContact CE-CZ 3.82Å; M184-F204 HydrophobicContact SD-CE2 3.94Å; I199-F204 HydrophobicContact CD1-CE1 4.24Å; I199-F204 HydrophobicContact CD1-CE2 4.47Å; I199-F204 HydrophobicContact CD1-CZ 3.77Å; I199-F204 HydrophobicContact CG1-CZ 4.38Å; V201-F204 WeakPolarHBondContact O-CD2 3.38Å; V201-F204 PolarHBondContact O-N 2.65Å; A202-F204 VanDerWaalsContact C-N 3.26Å; A202-F204 PolarHBondContact O-N 3.2Å; F204-F211 HydrophobicContact CD1-CE1 4.37Å; F204-F211 AromaticContact CD1-CE2 3.94Å; F204-F211 HydrophobicContact CD1-CE2 3.94Å; F204-F211 AromaticContact CD1-CZ 3.83Å; F204-F211 HydrophobicContact CD1-CZ 3.83Å; F204-F211 HydrophobicContact CE1-CD1 4.34Å; F204-F211 HydrophobicContact CE1-CD2 4.37Å; F204-F211 HydrophobicContact CE1-CE1 4.1Å; F204-F211 HydrophobicContact CE1-CE2 4.1Å; F204-F211 HydrophobicContact CE1-CG 4.49Å; F204-F211 AromaticContact CE1-CZ 3.98Å; F204-F211 HydrophobicContact CE1-CZ 3.98Å; F204-F266 HydrophobicContact CB-CE2 4.27Å; F204-F266 HydrophobicContact CB-CZ 4.11Å; F204-F266 HydrophobicContact CD2-CE2 4.33Å; F204-F266 HydrophobicContact CG-CE2 4.23Å; F204-F266 HydrophobicContact CG-CZ 4.37Å
205T91.4Very high92Very high40 Ų4036.3 Ų36.325%0.24522%0.22CC..  trans-88.8172.1-175.948.20000113.2R154 E203 S207 K209R154-T205 WeakPolarHBondContact CB-O 3.38Å; R154-T205 PolarHBondContact N-O 2.86Å; E203-T205 PolarHBondContact O-N 3.24Å; T205-S207 PolarHBondContact O-N 2.93Å; T205-S207 PolarHBondContact OG1-O 2.79Å; T205-S207 PolarHBondContact OG1-OG 2.99Å; T205-K209 HydrophobicContact CG2-CD 4.48Å; T205-K209 VanDerWaalsContact CG2-NZ 3.34Å; T205-K209 WeakPolarHBondContact OG1-CD 3.35Å; T205-K209 WeakPolarHBondContact OG1-CE 3.39Å
206S88.6Confident91.9Very high99 Ų9938 Ų3869%0.69223%0.228SC*.SBendtrans-746.1170.662.30000114.3R154R154-S206 WeakPolarHBondContact O-CA 3.36Å
207S89.1Confident91.8Very high65 Ų6535.3 Ų35.346%0.45522%0.217SC..SBendtrans-117.7150.9170.661.20000109.9T205 K209T205-S207 PolarHBondContact O-N 2.93Å; T205-S207 PolarHBondContact OG1-O 2.79Å; T205-S207 PolarHBondContact OG1-OG 2.99Å; S207-K209 PolarHBondContact O-N 3.38Å
208M91.6Very high91.6Very high44 Ų4436.4 Ų36.422%0.21722%0.224CC..  trans-63.8123.4180-16167.984.800110.5K121 E151 V152 E153 N269 L317K121-M208 HydrophobicContact CB-CE 3.76Å; K121-M208 HydrophobicContact CD-CE 3.81Å; K121-M208 HydrophobicContact CG-CE 4.46Å; E151-M208 HydrophobicContact CB-CG 3.79Å; E151-M208 HydrophobicContact CB-SD 3.95Å; V152-M208 VanDerWaalsContact C-SD 3.59Å; E153-M208 HydrophobicContact CB-CE 4.24Å; E153-M208 HydrophobicContact CB-SD 3.93Å; M208-N269 HydrophobicContact CE-CB 4.45Å; M208-L317 HydrophobicContact CE-CD2 3.76Å
209K92.4Very high91.2Very high54 Ų5439.4 Ų39.424%0.23524%0.241CC..EExtended strand (participates in β ladder)trans-132143.8179.6-79.4-172.7179.1175.90111.7E151 V152 T205 S207 F211E151-K209 CarbonylContact C-O 3.54Å; E151-K209 WeakPolarHBondContact CA-O 3.44Å; V152-K209 PolarHBondContact N-O 3.27Å; V152-K209 PolarHBondContact O-N 2.82Å; V152-K209 VanDerWaalsContact O-N 3.13Å; T205-K209 HydrophobicContact CG2-CD 4.48Å; T205-K209 VanDerWaalsContact CG2-NZ 3.34Å; T205-K209 WeakPolarHBondContact OG1-CD 3.35Å; T205-K209 WeakPolarHBondContact OG1-CE 3.39Å; S207-K209 PolarHBondContact O-N 3.38Å; K209-F211 HydrophobicContact CB-CD2 4.4Å; K209-F211 HydrophobicContact CB-CE2 3.56Å; K209-F211 HydrophobicContact CB-CZ 4.08Å; K209-F211 WeakPolarHBondContact O-CD2 3.4Å; K209-F211 WeakPolarHBondContact O-CE2 3.43Å
210F93Very high90.9Very high60 Ų6039.9 Ų39.926%0.26325%0.245SC..EExtended strand (participates in β ladder)trans-85.1131.6-179.8179.8-99.7000113.3C149 E151 C212 Y225 L288C149-F210 HydrophobicContact CB-CE2 4Å; C149-F210 HydrophobicContact CB-CZ 4.04Å; E151-F210 HydrophobicContact CG-CB 4Å; E151-F210 HydrophobicContact CG-CD2 3.92Å; E151-F210 HydrophobicContact CG-CG 4.48Å; F210-C212 VanDerWaalsContact CE1-SG 3.58Å; F210-C212 WeakPolarHBondContact CZ-SG 3.22Å; F210-Y225 HydrophobicContact CE1-CD1 4.16Å; F210-Y225 HydrophobicContact CE1-CE1 4.27Å; F210-L288 HydrophobicContact CE2-CD2 4.43Å; F210-L288 HydrophobicContact CZ-CD2 3.89Å
211F95.5Very high90.8Very high2 Ų243 Ų431%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-135.8145.3177.8-61.7-94.4000110.5C149 F150 V152 I199 E203 F204 K209 Y225 F226C149-F211 CarbonylContact C-O 3.6Å; C149-F211 VanDerWaalsContact CA-O 3.28Å; C149-F211 WeakPolarHBondContact CA-O 3.29Å; F150-F211 HydrophobicContact CD2-CB 4.39Å; F150-F211 HydrophobicContact CE2-CB 3.93Å; F150-F211 HydrophobicContact CE2-CD2 4.36Å; F150-F211 HydrophobicContact CE2-CG 4.4Å; F150-F211 HydrophobicContact CZ-CB 4.02Å; F150-F211 PolarHBondContact N-O 3.11Å; F150-F211 PolarHBondContact O-N 2.89Å; F150-F211 VanDerWaalsContact O-O 3.06Å; V152-F211 HydrophobicContact CG1-CD2 3.73Å; V152-F211 HydrophobicContact CG1-CE2 3.61Å; I199-F211 HydrophobicContact CD1-CD1 3.83Å; I199-F211 HydrophobicContact CD1-CE1 3.89Å; E203-F211 HydrophobicContact CB-CE1 4.39Å; F204-F211 HydrophobicContact CD1-CE1 4.37Å; F204-F211 AromaticContact CD1-CE2 3.94Å; F204-F211 HydrophobicContact CD1-CE2 3.94Å; F204-F211 AromaticContact CD1-CZ 3.83Å; F204-F211 HydrophobicContact CD1-CZ 3.83Å; F204-F211 HydrophobicContact CE1-CD1 4.34Å; F204-F211 HydrophobicContact CE1-CD2 4.37Å; F204-F211 HydrophobicContact CE1-CE1 4.1Å; F204-F211 HydrophobicContact CE1-CE2 4.1Å; F204-F211 HydrophobicContact CE1-CG 4.49Å; F204-F211 AromaticContact CE1-CZ 3.98Å; F204-F211 HydrophobicContact CE1-CZ 3.98Å; K209-F211 HydrophobicContact CB-CD2 4.4Å; K209-F211 HydrophobicContact CB-CE2 3.56Å; K209-F211 HydrophobicContact CB-CZ 4.08Å; K209-F211 WeakPolarHBondContact O-CD2 3.4Å; K209-F211 WeakPolarHBondContact O-CE2 3.43Å; F211-Y225 CarbonylContact C-O 3.55Å; F211-Y225 WeakPolarHBondContact CA-O 3.38Å; F211-F226 HydrophobicContact CD1-CB 3.44Å; F211-F226 VanDerWaalsContact CD1-CB 3.44Å; F211-F226 HydrophobicContact CD1-CG 4.01Å; F211-F226 HydrophobicContact CE1-CB 3.68Å; F211-F226 HydrophobicContact CE1-CD2 4.06Å; F211-F226 AromaticContact CE1-CG 3.89Å; F211-F226 HydrophobicContact CE1-CG 3.89Å; F211-F226 HydrophobicContact CG-CB 4.25Å
212C96.3Very high91.1Very high0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-126.4135.9162.5-58.30000110.8T147 I148 C149 F210 L214 V224 Y225 L285T147-C212 HydrophobicContact CG2-CB 4.43Å; I148-C212 CarbonylContact O-C 3.53Å; I148-C212 VanDerWaalsContact O-CA 3.23Å; I148-C212 WeakPolarHBondContact O-CA 3.4Å; C149-C212 HydrophobicContact CB-CB 4.1Å; C149-C212 WeakPolarHBondContact CB-SG 2.83Å; C149-C212 WeakPolarHBondContact SG-CB 3.1Å; C149-C212 CovalentContact SG-SG 2.04Å; C149-C212 PolarHBondContact SG-SG 3.13Å; F210-C212 VanDerWaalsContact CE1-SG 3.58Å; F210-C212 WeakPolarHBondContact CZ-SG 3.22Å; C212-L214 HydrophobicContact CB-CD1 4.23Å; C212-V224 CarbonylContact O-C 3.55Å; C212-V224 VanDerWaalsContact O-CA 3.25Å; C212-V224 WeakPolarHBondContact O-CA 3.31Å; C212-Y225 PolarHBondContact N-O 2.98Å; C212-Y225 PolarHBondContact O-N 3.28Å; C212-L285 HydrophobicContact CB-CD2 3.88Å
213V96.1Very high91.4Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-109.8131173.7-177.60000108.5T147 I148 F150 F177 M186 V224T147-V213 WeakPolarHBondContact CA-O 3.02Å; I148-V213 PolarHBondContact N-O 3.1Å; I148-V213 PolarHBondContact O-N 3.37Å; F150-V213 HydrophobicContact CE1-CG2 4.01Å; F150-V213 HydrophobicContact CZ-CG2 4.29Å; F177-V213 HydrophobicContact CD1-CG2 4.2Å; F177-V213 HydrophobicContact CD2-CG1 4.18Å; F177-V213 HydrophobicContact CD2-CG2 4.15Å; F177-V213 HydrophobicContact CE1-CG2 4Å; F177-V213 HydrophobicContact CE2-CG1 4.31Å; F177-V213 HydrophobicContact CE2-CG2 3.92Å; F177-V213 HydrophobicContact CG-CG2 4.27Å; F177-V213 HydrophobicContact CZ-CG2 3.86Å; M186-V213 HydrophobicContact CE-CG1 3.83Å; M186-V213 HydrophobicContact SD-CG1 3.58Å; M186-V213 VanDerWaalsContact SD-CG1 3.58Å; V213-V224 HydrophobicContact CG2-CG2 4.47Å
214L95.3Very high91.7Very high2 Ų235.1 Ų35.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-125.8144.2-175.9-58.493.6000110.4L146 T147 C212 V222 A223 M280 L285L146-L214 WeakPolarHBondContact O-CA 3.4Å; T147-L214 HydrophobicContact CG2-CD2 4.23Å; T147-L214 HydrophobicContact CG2-CG 4.13Å; C212-L214 HydrophobicContact CB-CD1 4.23Å; L214-V222 WeakPolarHBondContact O-CA 3.12Å; L214-A223 HydrophobicContact CB-CB 4.34Å; L214-A223 PolarHBondContact N-O 3.16Å; L214-A223 PolarHBondContact O-N 2.84Å; L214-M280 HydrophobicContact CD2-CB 4.31Å; L214-M280 VanDerWaalsContact CD2-O 3.32Å; L214-M280 WeakPolarHBondContact CD2-O 3.01Å; L214-L285 HydrophobicContact CD1-CD1 4.09Å; L214-L285 HydrophobicContact CD2-CD1 4.01Å
215W94.9Very high91.8Very high0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-142.5142.8171.116668.3000110.8L143 E145 L146 M186 I188 R221 S238 H241 V243L143-W215 VanDerWaalsContact O-CZ3 3.28Å; L143-W215 WeakPolarHBondContact O-CZ3 3.26Å; E145-W215 CarbonylContact C-O 3.51Å; E145-W215 WeakPolarHBondContact CA-O 3.46Å; L146-W215 HydrophobicContact CD1-CB 4.38Å; L146-W215 HydrophobicContact CD2-CE3 3.81Å; L146-W215 HydrophobicContact CD2-CZ3 4.4Å; L146-W215 HydrophobicContact CG-CB 4.27Å; L146-W215 HydrophobicContact CG-CE3 4.04Å; L146-W215 PolarHBondContact N-O 2.7Å; L146-W215 PolarHBondContact O-N 2.78Å; L146-W215 VanDerWaalsContact O-N 3.14Å; M186-W215 HydrophobicContact CE-CB 4.03Å; I188-W215 HydrophobicContact CD1-CB 4.25Å; I188-W215 HydrophobicContact CD1-CD2 3.99Å; I188-W215 HydrophobicContact CD1-CG 3.6Å; I188-W215 HydrophobicContact CG1-CD2 4.25Å; I188-W215 HydrophobicContact CG1-CG 4.27Å; I188-W215 HydrophobicContact CG2-CD2 4.06Å; I188-W215 HydrophobicContact CG2-CE3 4.27Å; I188-W215 HydrophobicContact CG2-CH2 3.73Å; I188-W215 HydrophobicContact CG2-CZ2 3.49Å; I188-W215 VanDerWaalsContact CG2-CZ2 3.49Å; I188-W215 HydrophobicContact CG2-CZ3 4.12Å; W215-R221 WeakPolarHBondContact CA-O 3.43Å; W215-S238 PolarHBondContact NE1-OG 2.83Å; W215-H241 WeakPolarHBondContact CH2-O 3.22Å; W215-H241 WeakPolarHBondContact CZ2-O 3.44Å; W215-V243 HydrophobicContact CH2-CG2 4.39Å; W215-V243 HydrophobicContact CZ3-CG2 3.88Å
216M90.8Very high91.9Very high37 Ų3734 Ų3418%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-133.1124174.4-64.4171.9-157.500109.6E145 N219 S220 R221 A279E145-M216 HydrophobicContact CB-CG 4.35Å; M216-N219 WeakPolarHBondContact CB-OD1 3.38Å; M216-S220 VanDerWaalsContact O-CA 3.31Å; M216-S220 WeakPolarHBondContact O-CA 3.31Å; M216-S220 PolarHBondContact O-N 2.79Å; M216-S220 VanDerWaalsContact O-N 3.15Å; M216-R221 PolarHBondContact N-O 2.83Å; M216-R221 PolarHBondContact O-N 3.37Å; M216-A279 HydrophobicContact CE-CB 3.27Å; M216-A279 HydrophobicContact CG-CB 3.29Å; M216-A279 HydrophobicContact SD-CB 4Å
217S89Confident91.9Very high13 Ų1333.7 Ų33.79%0.09118%0.18CC..THydrogen-bonded Turntrans-68.3-37.8177.2-1720000112.4N144 N219 S220 G240 H241N144-S217 WeakPolarHBondContact O-CB 3.44Å; N144-S217 PolarHBondContact O-N 2.78Å; S217-N219 PolarHBondContact O-N 2.95Å; S217-S220 PolarHBondContact O-N 3.42Å; S217-G240 WeakPolarHBondContact OG-CA 3.46Å; S217-G240 PolarHBondContact OG-N 2.82Å; S217-H241 WeakPolarHBondContact CB-O 3.45Å; S217-H241 PolarHBondContact OG-N 2.93Å; S217-H241 PolarHBondContact OG-O 3.3Å
218S85.8Confident91.8Very high108 Ų10841.3 Ų41.376%0.75520%0.198SC*.THydrogen-bonded Turntrans-61.6-34.1-17259.10000115.1
219N84.7Confident91.7Very high83 Ų8347 Ų4744%0.44422%0.217SC..THydrogen-bonded Turntrans-120.39.3177.56317.1000112.3M216 S217 R221M216-N219 WeakPolarHBondContact CB-OD1 3.38Å; S217-N219 PolarHBondContact O-N 2.95Å; N219-R221 PolarHBondContact O-N 2.85Å; N219-R221 VanDerWaalsContact O-N 3.16Å; N219-R221 WeakPolarHBondContact OD1-CB 3.32Å; N219-R221 PolarHBondContact OD1-N 3.17Å; N219-R221 VanDerWaalsContact OD1-N 3.14Å
220S85.9Confident91.8Very high13 Ų1347.7 Ų47.79%0.09122%0.219CC..THydrogen-bonded Turntrans50.637.3-179.5-34.60000113.2M216 S217 S234 C235 S239M216-S220 VanDerWaalsContact O-CA 3.31Å; M216-S220 WeakPolarHBondContact O-CA 3.31Å; M216-S220 PolarHBondContact O-N 2.79Å; M216-S220 VanDerWaalsContact O-N 3.15Å; S217-S220 PolarHBondContact O-N 3.42Å; S220-S234 CarbonylContact O-C 3.58Å; S220-C235 WeakPolarHBondContact CB-O 3.38Å; S220-C235 PolarHBondContact O-N 3.23Å; S220-S239 VanDerWaalsContact OG-CA 3.31Å; S220-S239 WeakPolarHBondContact OG-CA 3.37Å; S220-S239 WeakPolarHBondContact OG-CB 3.49Å; S220-S239 PolarHBondContact OG-OG 3.39Å
221R89.1Confident91.8Very high109 Ų10948.4 Ų48.441%0.41122%0.22SC..EExtended strand (participates in β ladder)trans-99.5130.5-175.4-164.6173.8-178.6141.82110.5W215 M216 N219W215-R221 WeakPolarHBondContact CA-O 3.43Å; M216-R221 PolarHBondContact N-O 2.83Å; M216-R221 PolarHBondContact O-N 3.37Å; N219-R221 PolarHBondContact O-N 2.85Å; N219-R221 VanDerWaalsContact O-N 3.16Å; N219-R221 WeakPolarHBondContact OD1-CB 3.32Å; N219-R221 PolarHBondContact OD1-N 3.17Å; N219-R221 VanDerWaalsContact OD1-N 3.14Å
222V93.4Very high91.6Very high2 Ų249.7 Ų49.71%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-109.6134.4168.1179.80000107.8M186 I188 C193 V195 L214 G232 K233 C235M186-V222 HydrophobicContact SD-CG1 3.67Å; I188-V222 HydrophobicContact CD1-CG2 4.07Å; C193-V222 HydrophobicContact CB-CG2 4.25Å; V195-V222 HydrophobicContact CG1-CB 4.45Å; V195-V222 HydrophobicContact CG1-CG1 3.7Å; L214-V222 WeakPolarHBondContact O-CA 3.12Å; V222-G232 WeakPolarHBondContact O-CA 3.35Å; V222-K233 PolarHBondContact N-O 3.02Å; V222-K233 PolarHBondContact O-N 3.14Å; V222-K233 VanDerWaalsContact O-O 3.09Å; V222-C235 HydrophobicContact CG2-CB 4.01Å
223A94.3Very high91.4Very high1 Ų153.6 Ų53.61%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-140.2156.1179.800000112.6L214 Y230 Y231L214-A223 HydrophobicContact CB-CB 4.34Å; L214-A223 PolarHBondContact N-O 3.16Å; L214-A223 PolarHBondContact O-N 2.84Å; A223-Y230 HydrophobicContact CB-CD2 4.31Å; A223-Y230 HydrophobicContact CB-CE1 4.18Å; A223-Y230 HydrophobicContact CB-CE2 3.41Å; A223-Y230 VanDerWaalsContact CB-CE2 3.41Å; A223-Y230 WeakPolarHBondContact CB-OH 3.3Å; A223-Y231 CarbonylContact C-O 3.58Å; A223-Y231 WeakPolarHBondContact CA-O 3.27Å; A223-Y231 WeakPolarHBondContact CB-O 3.26Å
224V95.6Very high91.1Very high0 Ų057.7 Ų57.70%028%0.28CS..EExtended strand (participates in β ladder)trans-130.5136.5175.2-172.50000108.9I198 I199 C212 V213 F226 Y231I198-V224 HydrophobicContact CD1-CG2 3.99Å; I198-V224 HydrophobicContact CG1-CG2 4.41Å; I199-V224 HydrophobicContact CB-CG1 4.44Å; I199-V224 HydrophobicContact CB-CG2 4.4Å; I199-V224 HydrophobicContact CD1-CG1 3.83Å; I199-V224 HydrophobicContact CG2-CG2 3.95Å; C212-V224 CarbonylContact O-C 3.55Å; C212-V224 VanDerWaalsContact O-CA 3.25Å; C212-V224 WeakPolarHBondContact O-CA 3.31Å; V213-V224 HydrophobicContact CG2-CG2 4.47Å; V224-F226 HydrophobicContact CG1-CD1 4.09Å; V224-Y231 PolarHBondContact N-O 2.92Å; V224-Y231 PolarHBondContact O-N 3.03Å
225Y95.4Very high90.9Very high13 Ų1358.2 Ų58.25%0.05128%0.283CS..EExtended strand (participates in β ladder)trans-116.9120.8175.4-178.4-95.5000109.7F210 F211 C212 R228 R229 L285F210-Y225 HydrophobicContact CE1-CD1 4.16Å; F210-Y225 HydrophobicContact CE1-CE1 4.27Å; F211-Y225 CarbonylContact C-O 3.55Å; F211-Y225 WeakPolarHBondContact CA-O 3.38Å; C212-Y225 PolarHBondContact N-O 2.98Å; C212-Y225 PolarHBondContact O-N 3.28Å; Y225-R228 WeakPolarHBondContact OH-CA 3.18Å; Y225-R229 VanDerWaalsContact CA-O 3.31Å; Y225-R229 WeakPolarHBondContact CA-O 3.5Å; Y225-R229 VanDerWaalsContact CD2-O 3.3Å; Y225-R229 WeakPolarHBondContact CD2-O 3.48Å; Y225-L285 HydrophobicContact CD1-CB 4.21Å; Y225-L285 HydrophobicContact CD2-CB 4.3Å; Y225-L285 HydrophobicContact CD2-CD1 4.13Å; Y225-L285 HydrophobicContact CE1-CB 4.21Å; Y225-L285 HydrophobicContact CE2-CB 4.3Å; Y225-L285 HydrophobicContact CG-CB 4.25Å; Y225-L285 HydrophobicContact CG-CD1 4.04Å
226F93.8Very high90.5Very high10 Ų1062.3 Ų62.34%0.04431%0.312CS..EExtended strand (participates in β ladder)trans-157.3159176.672.2-78.9000109.5E203 F211 V224 R228 R229 Y231E203-F226 HydrophobicContact CB-CE2 4.34Å; E203-F226 HydrophobicContact CG-CE2 3.83Å; E203-F226 HydrophobicContact CG-CZ 4.02Å; E203-F226 WeakPolarHBondContact OE2-CE2 3.3Å; F211-F226 HydrophobicContact CD1-CB 3.44Å; F211-F226 VanDerWaalsContact CD1-CB 3.44Å; F211-F226 HydrophobicContact CD1-CG 4.01Å; F211-F226 HydrophobicContact CE1-CB 3.68Å; F211-F226 HydrophobicContact CE1-CD2 4.06Å; F211-F226 AromaticContact CE1-CG 3.89Å; F211-F226 HydrophobicContact CE1-CG 3.89Å; F211-F226 HydrophobicContact CG-CB 4.25Å; V224-F226 HydrophobicContact CG1-CD1 4.09Å; F226-R228 PolarHBondContact O-N 2.9Å; F226-R228 VanDerWaalsContact O-N 3.07Å; F226-R229 PolarHBondContact N-O 3.03Å; F226-R229 VanDerWaalsContact N-O 3.12Å; F226-R229 PolarHBondContact O-N 3.28Å; F226-Y231 AromaticContact CD1-CD2 3.85Å; F226-Y231 HydrophobicContact CD1-CD2 3.85Å; F226-Y231 AromaticContact CD1-CE2 3.89Å; F226-Y231 HydrophobicContact CD1-CE2 3.89Å; F226-Y231 AromaticContact CE1-CD2 3.37Å; F226-Y231 HydrophobicContact CE1-CD2 3.37Å; F226-Y231 AromaticContact CE1-CE2 3.33Å; F226-Y231 HydrophobicContact CE1-CE2 3.33Å; F226-Y231 HydrophobicContact CE1-CG 4.33Å; F226-Y231 HydrophobicContact CZ-CD2 4.17Å; F226-Y231 AromaticContact CZ-CE2 3.71Å; F226-Y231 HydrophobicContact CZ-CE2 3.71Å
227N88.8Confident90.2Very high92 Ų9264.6 Ų64.649%0.49233%0.33SS..THydrogen-bonded Turntrans49.535.1-175.1-65-26.5000113.4R229N227-R229 PolarHBondContact O-N 3.45Å
228R85.8Confident90.1Very high225 Ų22564 Ų6485%0.84933%0.325SS*.THydrogen-bonded Turntrans59.522.3-175.1-55.8-175.9177.7-160.5-1.5115.5Y225 F226Y225-R228 WeakPolarHBondContact OH-CA 3.18Å; F226-R228 PolarHBondContact O-N 2.9Å; F226-R228 VanDerWaalsContact O-N 3.07Å
229R91Very high90.1Very high163 Ų16362.1 Ų62.162%0.61531%0.312SS*.EExtended strand (participates in β ladder)trans-124.1145.5-179.7-68.1179.8-177.6-177.81.4111.1Y225 F226 N227 Y231Y225-R229 VanDerWaalsContact CA-O 3.31Å; Y225-R229 WeakPolarHBondContact CA-O 3.5Å; Y225-R229 VanDerWaalsContact CD2-O 3.3Å; Y225-R229 WeakPolarHBondContact CD2-O 3.48Å; F226-R229 PolarHBondContact N-O 3.03Å; F226-R229 VanDerWaalsContact N-O 3.12Å; F226-R229 PolarHBondContact O-N 3.28Å; N227-R229 PolarHBondContact O-N 3.45Å; R229-Y231 HydrophobicContact CB-CD2 4.38Å; R229-Y231 HydrophobicContact CB-CE2 3.52Å; R229-Y231 VanDerWaalsContact CD-OH 3.28Å; R229-Y231 WeakPolarHBondContact CD-OH 3.33Å
230Y93.2Very high90Very high69 Ų6961.4 Ų61.427%0.27132%0.324SS..EExtended strand (participates in β ladder)trans-105.4124.8180178.6-93.4000110.8A223 V282 L285A223-Y230 HydrophobicContact CB-CD2 4.31Å; A223-Y230 HydrophobicContact CB-CE1 4.18Å; A223-Y230 HydrophobicContact CB-CE2 3.41Å; A223-Y230 VanDerWaalsContact CB-CE2 3.41Å; A223-Y230 WeakPolarHBondContact CB-OH 3.3Å; Y230-V282 HydrophobicContact CD1-CG2 4.34Å; Y230-V282 HydrophobicContact CD2-CG2 4.04Å; Y230-V282 HydrophobicContact CG-CG2 3.87Å; Y230-L285 HydrophobicContact CD2-CD1 4.33Å
231Y93.7Very high90.1Very high75 Ų7563.4 Ų63.429%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-122.6119.7179.5-58.2-88.5000109.4A223 V224 F226 R229A223-Y231 CarbonylContact C-O 3.58Å; A223-Y231 WeakPolarHBondContact CA-O 3.27Å; A223-Y231 WeakPolarHBondContact CB-O 3.26Å; V224-Y231 PolarHBondContact N-O 2.92Å; V224-Y231 PolarHBondContact O-N 3.03Å; F226-Y231 AromaticContact CD1-CD2 3.85Å; F226-Y231 HydrophobicContact CD1-CD2 3.85Å; F226-Y231 AromaticContact CD1-CE2 3.89Å; F226-Y231 HydrophobicContact CD1-CE2 3.89Å; F226-Y231 AromaticContact CE1-CD2 3.37Å; F226-Y231 HydrophobicContact CE1-CD2 3.37Å; F226-Y231 AromaticContact CE1-CE2 3.33Å; F226-Y231 HydrophobicContact CE1-CE2 3.33Å; F226-Y231 HydrophobicContact CE1-CG 4.33Å; F226-Y231 HydrophobicContact CZ-CD2 4.17Å; F226-Y231 AromaticContact CZ-CE2 3.71Å; F226-Y231 HydrophobicContact CZ-CE2 3.71Å; R229-Y231 HydrophobicContact CB-CD2 4.38Å; R229-Y231 HydrophobicContact CB-CE2 3.52Å; R229-Y231 VanDerWaalsContact CD-OH 3.28Å; R229-Y231 WeakPolarHBondContact CD-OH 3.33Å
232G91Very high90.1Very high28 Ų2860.1 Ų60.129%0.28933%0.326SS..EExtended strand (participates in β ladder)trans-131.6147.5-175.800000113.3V222V222-G232 WeakPolarHBondContact O-CA 3.35Å
233K91.9Very high90.1Very high83 Ų8360 Ų6036%0.36133%0.325SS..EExtended strand (participates in β ladder)trans-141.3147.3179.4-179.9177.7178.3-175.60110.5P194 S197 I198 V222P194-K233 PolarHBondContact O-NZ 3.02Å; S197-K233 WeakPolarHBondContact OG-CD 3.3Å; S197-K233 PolarHBondContact OG-NZ 2.97Å; I198-K233 HydrophobicContact CD1-CB 4.42Å; I198-K233 HydrophobicContact CG2-CB 4.04Å; V222-K233 PolarHBondContact N-O 3.02Å; V222-K233 PolarHBondContact O-N 3.14Å; V222-K233 VanDerWaalsContact O-O 3.09Å
234S90.3Very high90Very high86 Ų8661.9 Ų61.960%0.60134%0.337SS*.EExtended strand (participates in β ladder)trans-77.3130.5170.954.10000111.1S220S220-S234 CarbonylContact O-C 3.58Å
235C89.9Confident89.8Confident12 Ų1264.3 Ų64.38%0.08136%0.357CS..  trans-117.377.6168.7-175.70000109.3C193 S220 V222 P237 S238C193-C235 VanDerWaalsContact CA-SG 3.5Å; C193-C235 HydrophobicContact CB-CB 3.77Å; C193-C235 WeakPolarHBondContact CB-SG 3.48Å; C193-C235 WeakPolarHBondContact SG-CB 3.34Å; C193-C235 CovalentContact SG-SG 2.03Å; C193-C235 PolarHBondContact SG-SG 3.11Å; S220-C235 WeakPolarHBondContact CB-O 3.38Å; S220-C235 PolarHBondContact O-N 3.23Å; V222-C235 HydrophobicContact CG2-CB 4.01Å; C235-P237 VanDerWaalsContact C-N 3.27Å; C235-P237 VanDerWaalsContact O-N 3.13Å; C235-S238 WeakPolarHBondContact O-CB 3.13Å; C235-S238 PolarHBondContact O-N 2.89Å; C235-S238 PolarHBondContact O-OG 2.78Å
236S86.4Confident89.2Confident87 Ų8766.2 Ų66.261%0.60838%0.381SS*.G310 helixtrans-50.4-35.4-177.2-42.90000115.2S238 S239S236-S238 PolarHBondContact O-N 2.99Å; S236-S239 WeakPolarHBondContact O-CB 3.46Å; S236-S239 PolarHBondContact O-N 2.84Å; S236-S239 VanDerWaalsContact O-N 3.16Å
237P85.4Confident89Confident85 Ų8566.4 Ų66.455%0.55239%0.385SS*.G310 helixtrans-61.1-19.8175-27.738.6000114.9V191 C235 S239 H241V191-P237 HydrophobicContact CG1-CB 3.43Å; V191-P237 VanDerWaalsContact CG1-CB 3.43Å; C235-P237 VanDerWaalsContact C-N 3.27Å; C235-P237 VanDerWaalsContact O-N 3.13Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-H241 PolarHBondContact O-CD2 3.24Å; P237-H241 VanDerWaalsContact O-CD2 3.24Å; P237-H241 PolarHBondContact O-NE2 3.14Å
238S86.7Confident89.1Confident0 Ų063.9 Ų63.90%037%0.373CS..G310 helixtrans-87.32.7178.569.30000114W215 C235 S236 G240 H241W215-S238 PolarHBondContact NE1-OG 2.83Å; C235-S238 WeakPolarHBondContact O-CB 3.13Å; C235-S238 PolarHBondContact O-N 2.89Å; C235-S238 PolarHBondContact O-OG 2.78Å; S236-S238 PolarHBondContact O-N 2.99Å; S238-G240 PolarHBondContact O-N 3.32Å; S238-H241 PolarHBondContact O-N 3.41Å
239S86.3Confident89.4Confident68 Ų6853.3 Ų53.348%0.47633%0.333SS..THydrogen-bonded Turntrans-65.3127.2-179.6-163.80000111.6S220 S236 P237 H241S220-S239 VanDerWaalsContact OG-CA 3.31Å; S220-S239 WeakPolarHBondContact OG-CA 3.37Å; S220-S239 WeakPolarHBondContact OG-CB 3.49Å; S220-S239 PolarHBondContact OG-OG 3.39Å; S236-S239 WeakPolarHBondContact O-CB 3.46Å; S236-S239 PolarHBondContact O-N 2.84Å; S236-S239 VanDerWaalsContact O-N 3.16Å; P237-S239 VanDerWaalsContact C-N 3.32Å; S239-H241 PolarHBondContact O-N 3.37Å
240G81.7Confident89.5Confident68 Ų6848 Ų4870%0.70132%0.315SS*.THydrogen-bonded Turntrans75.2-0.717800000115.1S217 S238S217-G240 WeakPolarHBondContact OG-CA 3.46Å; S217-G240 PolarHBondContact OG-N 2.82Å; S238-G240 PolarHBondContact O-N 3.32Å
241H88.6Confident89.4Confident56 Ų5645 Ų4526%0.25930%0.304SS..  trans-74.5154.3170.6-77.8-90.7000111.1D189 V191 W215 S217 P237 S238 S239D189-H241 HydrophobicContact CB-CB 4.14Å; D189-H241 IonicContact OD2-CE1 2.68Å; D189-H241 IonicContact OD2-CG 2.7Å; D189-H241 IonicContact OD2-ND1 2.78Å; D189-H241 PolarHBondContact OD2-ND1 3.14Å; V191-H241 WeakPolarHBondContact CG2-NE2 3.45Å; W215-H241 WeakPolarHBondContact CH2-O 3.22Å; W215-H241 WeakPolarHBondContact CZ2-O 3.44Å; S217-H241 WeakPolarHBondContact CB-O 3.45Å; S217-H241 PolarHBondContact OG-N 2.93Å; S217-H241 PolarHBondContact OG-O 3.3Å; P237-H241 PolarHBondContact O-CD2 3.24Å; P237-H241 VanDerWaalsContact O-CD2 3.24Å; P237-H241 PolarHBondContact O-NE2 3.14Å; S238-H241 PolarHBondContact O-N 3.41Å; S239-H241 PolarHBondContact O-N 3.37Å
242S89.9Confident89.1Confident39 Ų3941.5 Ų41.527%0.27329%0.29SS..  trans-138.4132.1177.8-171.90000108.8L143 N144 P244L143-S242 PolarHBondContact O-OG 3.2Å; N144-S242 WeakPolarHBondContact OD1-CB 3.36Å; N144-S242 PolarHBondContact OD1-OG 2.81Å; S242-P244 WeakPolarHBondContact O-CD 3.24Å
243V92.3Very high88.4Confident1 Ų140.5 Ų40.51%0.00628%0.28CS..BIsolated β-bridgetrans-72.9121.3174.6178.40000107.9A142 L143 Y166 A174 L175 I188 W215A142-V243 CarbonylContact C-O 3.57Å; A142-V243 VanDerWaalsContact CA-O 3.25Å; A142-V243 WeakPolarHBondContact CA-O 3.47Å; L143-V243 HydrophobicContact CB-CB 4.14Å; L143-V243 PolarHBondContact N-O 2.74Å; L143-V243 PolarHBondContact O-N 3.41Å; Y166-V243 HydrophobicContact CD1-CG1 3.58Å; Y166-V243 HydrophobicContact CE1-CG1 3.46Å; Y166-V243 VanDerWaalsContact CE1-CG1 3.46Å; A174-V243 HydrophobicContact CB-CG1 4.42Å; L175-V243 HydrophobicContact CB-CG1 4.22Å; L175-V243 HydrophobicContact CB-CG2 4.32Å; I188-V243 HydrophobicContact CG2-CG2 4.18Å; W215-V243 HydrophobicContact CH2-CG2 4.39Å; W215-V243 HydrophobicContact CZ3-CG2 3.88Å
244P91.6Very high87.1Confident40 Ų4039 Ų3926%0.2627%0.273SS..PPolyproline II helixtrans-66.3152-17425.8-35.8000113.1Y166 D168 A174 S242Y166-P244 VanDerWaalsContact CE1-O 3.29Å; Y166-P244 WeakPolarHBondContact CE1-O 3.48Å; Y166-P244 PolarHBondContact OH-O 3.4Å; D168-P244 HydrophobicContact CB-CG 3.79Å; A174-P244 HydrophobicContact CB-CG 3.95Å; S242-P244 WeakPolarHBondContact O-CD 3.24Å
245A91.3Very high85.8Confident50 Ų5036.5 Ų36.541%0.41326%0.261SS..SBendtrans-78.1162.1178.100000113.2I140 A142 G247I140-A245 WeakPolarHBondContact O-CA 3.38Å; A142-A245 HydrophobicContact CB-CB 4.28Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.76Å
246G84.3Confident84.1Confident54 Ų5440 Ų4056%0.55728%0.283SS*.SBendtrans76.613.6166.200000116.1I140 I169I140-G246 PolarHBondContact O-N 2.84Å; I169-G246 WeakPolarHBondContact CG2-O 3.22Å
247G88.8Confident82.5Confident13 Ų1340 Ų4013%0.13428%0.276CS..  trans-85.2-173175.900000114.2Y166 Y167 A245Y166-G247 WeakPolarHBondContact OH-CA 3.4Å; Y166-G247 PolarHBondContact OH-N 3.39Å; Y167-G247 CarbonylContact O-C 3.58Å; Y167-G247 WeakPolarHBondContact O-CA 3.39Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.76Å
248V90.3Very high80.6Confident40 Ų4043.3 Ų43.324%0.24229%0.288CS..EExtended strand (participates in β ladder)trans-115.8124.7-178.1-176.90000110.9E133 Y166 Y167 K250E133-V248 HydrophobicContact CB-CG1 4.45Å; Y166-V248 WeakPolarHBondContact CA-O 3.29Å; Y167-V248 PolarHBondContact N-O 3.28Å; Y167-V248 PolarHBondContact O-N 3.12Å; V248-K250 HydrophobicContact CG1-CD 4.47Å; V248-K250 HydrophobicContact CG1-CG 4Å
249F93.6Very high78.7Confident2 Ų247.6 Ų47.61%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-95.8126.4176-165.9-79.2000111E133 V134 I140 I148 F164 Y166 L273 I297 W304E133-F249 WeakPolarHBondContact CA-O 3.38Å; V134-F249 HydrophobicContact CB-CB 4.17Å; V134-F249 HydrophobicContact CG2-CB 3.84Å; V134-F249 HydrophobicContact CG2-CD1 4.09Å; V134-F249 HydrophobicContact CG2-CG 4.31Å; V134-F249 PolarHBondContact N-O 2.91Å; I140-F249 HydrophobicContact CD1-CB 3.76Å; I148-F249 HydrophobicContact CD1-CE2 4.3Å; F164-F249 HydrophobicContact CB-CE1 3.9Å; F164-F249 HydrophobicContact CB-CZ 3.75Å; F164-F249 AromaticContact CD2-CE2 3.89Å; F164-F249 HydrophobicContact CD2-CE2 3.89Å; F164-F249 AromaticContact CD2-CZ 3.56Å; F164-F249 HydrophobicContact CD2-CZ 3.56Å; F164-F249 HydrophobicContact CE2-CE2 4.44Å; F164-F249 HydrophobicContact CE2-CZ 4.32Å; F164-F249 HydrophobicContact CG-CE1 4.36Å; F164-F249 HydrophobicContact CG-CE2 4.49Å; F164-F249 AromaticContact CG-CZ 3.71Å; F164-F249 HydrophobicContact CG-CZ 3.71Å; Y166-F249 HydrophobicContact CD2-CB 4.07Å; Y166-F249 HydrophobicContact CD2-CD2 4.26Å; Y166-F249 HydrophobicContact CG-CD2 4.5Å; F249-L273 HydrophobicContact CE1-CD1 4.21Å; F249-L273 HydrophobicContact CE1-CD2 3.72Å; F249-L273 HydrophobicContact CZ-CD1 4.37Å; F249-L273 HydrophobicContact CZ-CD2 3.91Å; F249-I297 HydrophobicContact CB-CD1 4.02Å; F249-I297 HydrophobicContact CD1-CD1 4.1Å; F249-I297 HydrophobicContact CD2-CD1 3.84Å; F249-I297 HydrophobicContact CE2-CD1 4.34Å; F249-I297 HydrophobicContact CG-CD1 3.72Å; F249-W304 AromaticContact CD1-CH2 3.91Å; F249-W304 HydrophobicContact CD1-CH2 3.91Å; F249-W304 HydrophobicContact CD1-CZ3 4.47Å; F249-W304 AromaticContact CE1-CH2 3.98Å; F249-W304 HydrophobicContact CE1-CH2 3.98Å
250K91.4Very high76.5Confident53 Ų5350.4 Ų50.423%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-130.3150.9-179.8-49.4-159.2-174-154.20112.1E133 F164 T165 Y167 V248E133-K250 HydrophobicContact CB-CB 4.37Å; E133-K250 HydrophobicContact CB-CD 4.15Å; E133-K250 HydrophobicContact CB-CG 3.77Å; E133-K250 WeakPolarHBondContact OE2-CD 3.34Å; E133-K250 WeakPolarHBondContact OE2-CE 3.18Å; E133-K250 IonicContact OE2-NZ 3.92Å; E133-K250 PolarHBondContact OE2-NZ 2.81Å; F164-K250 WeakPolarHBondContact CA-O 3.17Å; T165-K250 PolarHBondContact N-O 2.89Å; T165-K250 PolarHBondContact O-N 3.48Å; Y167-K250 HydrophobicContact CE2-CD 4.49Å; V248-K250 HydrophobicContact CG1-CD 4.47Å; V248-K250 HydrophobicContact CG1-CG 4Å
251L92.4Very high74.6Confident6 Ų654.7 Ų54.73%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-77.1133.5165.2-56.9-175.9000109.8V122 I124 A132 M270 L273 W299 W304V122-L251 HydrophobicContact CB-CD1 4.44Å; V122-L251 HydrophobicContact CG1-CD1 3.99Å; I124-L251 HydrophobicContact CG2-CB 4.29Å; A132-L251 HydrophobicContact CB-CB 4.2Å; A132-L251 HydrophobicContact CB-CD1 4.11Å; A132-L251 HydrophobicContact CB-CG 4.28Å; A132-L251 PolarHBondContact O-N 3.05Å; L251-M270 HydrophobicContact CD1-CB 4.25Å; L251-M270 HydrophobicContact CD1-CG 4.32Å; L251-M270 HydrophobicContact CD2-CG 4.24Å; L251-L273 HydrophobicContact CD2-CD1 3.81Å; L251-W299 HydrophobicContact CD1-CH2 3.98Å; L251-W299 HydrophobicContact CD1-CZ3 4.32Å; L251-W304 HydrophobicContact CD1-CZ3 4.39Å; L251-W304 HydrophobicContact CD2-CH2 3.8Å; L251-W304 HydrophobicContact CD2-CZ3 3.95Å; L251-W304 HydrophobicContact CG-CH2 4.22Å; L251-W304 HydrophobicContact CG-CZ3 3.84Å
252G87.1Confident72.8Confident1 Ų154.8 Ų54.81%0.0136%0.356CS..SBendtrans78.2-163-176.600000115.3W162 L163 T165W162-G252 WeakPolarHBondContact O-CA 3.21Å; L163-G252 PolarHBondContact O-N 2.81Å; T165-G252 WeakPolarHBondContact CB-O 3.42Å; T165-G252 PolarHBondContact N-O 3.37Å; T165-G252 PolarHBondContact OG1-O 2.52Å
253G75.6Confident71.4Confident7 Ų755.8 Ų55.87%0.07236%0.36CS..  trans75.2141.217500000116.8W162 T165 S265W162-G253 WeakPolarHBondContact CB-O 3.16Å; T165-G253 WeakPolarHBondContact CB-O 3.19Å; T165-G253 PolarHBondContact OG1-O 3.11Å; G253-S265 PolarHBondContact N-OG 2.91Å
254K65.1Low70.5Confident52 Ų5258.9 Ų58.923%0.22637%0.374CS..  trans-162.9122.3149.9-170.4180178.6173.90109.4W162 V173 E185W162-K254 HydrophobicContact CD2-CB 3.62Å; W162-K254 HydrophobicContact CD2-CD 3.61Å; W162-K254 HydrophobicContact CD2-CG 4.21Å; W162-K254 HydrophobicContact CE3-CB 4.47Å; W162-K254 HydrophobicContact CE3-CD 3.97Å; W162-K254 HydrophobicContact CG-CB 3.52Å; W162-K254 HydrophobicContact CG-CD 4.41Å; W162-K254 HydrophobicContact CH2-CD 3.46Å; W162-K254 VanDerWaalsContact CH2-CD 3.46Å; W162-K254 HydrophobicContact CZ2-CB 4.4Å; W162-K254 HydrophobicContact CZ2-CD 3.02Å; W162-K254 HydrophobicContact CZ2-CG 4.31Å; W162-K254 HydrophobicContact CZ3-CD 3.9Å; V173-K254 HydrophobicContact CG2-CG 4.26Å; E185-K254 IonicContact OE1-NZ 2.81Å; E185-K254 PolarHBondContact OE1-NZ 2.92Å
255G62.9Low70.2Confident32 Ų3257 Ų5733%0.3336%0.362SS..SBendtrans144.5155.2-166.300000108.2Y167Y167-G255 WeakPolarHBondContact CE1-O 3.38Å; Y167-G255 PolarHBondContact OH-O 2.81Å
256P55.2Low70.2Confident85 Ų8554.7 Ų54.755%0.55234%0.343SS*.  trans-61.1142.1-178.5-16.528.1000111.2L258 V259P256-L258 PolarHBondContact O-N 2.95Å; P256-V259 PolarHBondContact O-N 3.05Å
257L52.3Low70.4Confident87 Ų8756.2 Ų56.246%0.45533%0.334SS..THydrogen-bonded Turntrans-53.5-22.6-178.9-157.289.5000113.4Y167 N171Y167-L257 HydrophobicContact CD2-CD1 4.45Å; Y167-L257 HydrophobicContact CE2-CD1 4.44Å; N171-L257 HydrophobicContact CB-CB 3.94Å
258L45.8Very low70.5Confident155 Ų15555.7 Ų55.781%0.81233%0.329SS*.THydrogen-bonded Turntrans-89.2-3.1-174.2-78158.6000115.7P256P256-L258 PolarHBondContact O-N 2.95Å
259V46.4Very low70.7Confident90 Ų9054.3 Ų54.355%0.54532%0.32SS..  trans-114104.9-177.9-174.80000111.1P256 L261P256-V259 PolarHBondContact O-N 3.05Å; V259-L261 HydrophobicContact CG1-CB 4.13Å; V259-L261 PolarHBondContact O-N 2.81Å; V259-L261 VanDerWaalsContact O-N 3.11Å
260S39.9Very low70.7Confident127 Ų12754.2 Ų54.289%0.88832%0.32SS*.  trans-74.214.1-179.947.70000115.3G262S260-G262 PolarHBondContact O-N 2.88Å
261L41.7Very low70.9Confident159 Ų15951.7 Ų51.783%0.83231%0.309SS*.SBendtrans-93.987.7175.8-86.8148.4000110.8V259V259-L261 HydrophobicContact CG1-CB 4.13Å; V259-L261 PolarHBondContact O-N 2.81Å; V259-L261 VanDerWaalsContact O-N 3.11Å
262G51.4Low71Confident57 Ų5751.4 Ų51.459%0.58831%0.307SS*.  trans77.683159.200000115.9S260 Q264S260-G262 PolarHBondContact O-N 2.88Å; G262-Q264 PolarHBondContact O-N 3.4Å; G262-Q264 VanDerWaalsContact O-N 3.15Å
263V59.2Low71.4Confident60 Ų6051.4 Ų51.436%0.36431%0.307SS..  trans-60.5116.7171.6-169.90000110R158 S265R158-V263 PolarHBondContact NH1-O 2.89Å; V263-S265 WeakPolarHBondContact CG1-OG 3.31Å; V263-S265 PolarHBondContact O-N 2.58Å
264Q74.4Confident72.3Confident66 Ų6651.1 Ų51.131%0.30830%0.304SS..  trans-82.252.3-179.5-65.717413.200111.6K160 E161 W162 G262K160-Q264 HydrophobicContact CB-CB 4.21Å; K160-Q264 HydrophobicContact CB-CG 4.13Å; E161-Q264 CarbonylContact C-O 3.52Å; E161-Q264 VanDerWaalsContact CA-O 3.26Å; E161-Q264 WeakPolarHBondContact CA-O 3.31Å; W162-Q264 VanDerWaalsContact CD1-O 3.25Å; W162-Q264 PolarHBondContact N-O 2.81Å; G262-Q264 PolarHBondContact O-N 3.4Å; G262-Q264 VanDerWaalsContact O-N 3.15Å
265S85.9Confident73.8Confident1 Ų148.7 Ų48.71%0.00729%0.293CS..BIsolated β-bridgetrans-79.2150.1-179.7-630000113.1P125 R158 G253 V263P125-S265 WeakPolarHBondContact O-CB 3.16Å; P125-S265 PolarHBondContact O-OG 2.6Å; R158-S265 WeakPolarHBondContact CD-O 3.22Å; R158-S265 PolarHBondContact NE-O 2.83Å; G253-S265 PolarHBondContact N-OG 2.91Å; V263-S265 WeakPolarHBondContact CG1-OG 3.31Å; V263-S265 PolarHBondContact O-N 2.58Å
266F89.6Confident75.4Confident1 Ų148 Ų480%0.00428%0.28CS..  trans-59.5134.5170.2-178.6-89000112.1I124 V152 R154 E161 W162 L163 F204 G268I124-F266 HydrophobicContact CD1-CB 4.01Å; I124-F266 HydrophobicContact CD1-CD1 3.86Å; I124-F266 HydrophobicContact CD1-CG 4.34Å; V152-F266 HydrophobicContact CG2-CD1 4.12Å; V152-F266 HydrophobicContact CG2-CE1 3.41Å; V152-F266 VanDerWaalsContact CG2-CE1 3.41Å; V152-F266 HydrophobicContact CG2-CZ 3.79Å; R154-F266 HydrophobicContact CB-CE1 4.45Å; R154-F266 HydrophobicContact CB-CZ 3.88Å; R154-F266 HydrophobicContact CG-CE2 4.46Å; R154-F266 HydrophobicContact CG-CZ 3.94Å; E161-F266 HydrophobicContact CB-CB 4.32Å; E161-F266 HydrophobicContact CG-CD2 4.4Å; W162-F266 VanDerWaalsContact O-CB 3.22Å; W162-F266 WeakPolarHBondContact O-CB 3.33Å; W162-F266 PolarHBondContact O-N 3.15Å; L163-F266 HydrophobicContact CD1-CD2 4.17Å; L163-F266 HydrophobicContact CG-CB 4.4Å; L163-F266 HydrophobicContact CG-CD2 4.2Å; L163-F266 HydrophobicContact CG-CG 4.27Å; F204-F266 HydrophobicContact CB-CE2 4.27Å; F204-F266 HydrophobicContact CB-CZ 4.11Å; F204-F266 HydrophobicContact CD2-CE2 4.33Å; F204-F266 HydrophobicContact CG-CE2 4.23Å; F204-F266 HydrophobicContact CG-CZ 4.37Å; F266-G268 PolarHBondContact O-N 2.89Å
267K89.1Confident77.3Confident86 Ų8647.3 Ų47.337%0.37427%0.272SS..SBendtrans-88.389.2177.8-94.4-173.4172-176.80110.2T155 G156 R158T155-K267 PolarHBondContact N-O 3.13Å; T155-K267 PolarHBondContact OG1-O 2.79Å; G156-K267 PolarHBondContact N-O 3.19Å; G156-K267 WeakPolarHBondContact O-CB 3.39Å; R158-K267 HydrophobicContact CG-CD 4.28Å; R158-K267 HydrophobicContact CG-CG 4.42Å
268G91.4Very high79.3Confident2 Ų248.5 Ų48.52%0.02127%0.271CS..EExtended strand (participates in β ladder)trans179.9-170.7-178.900000114.1I124 E153 F266I124-G268 PolarHBondContact N-O 2.9Å; E153-G268 CarbonylContact O-C 3.58Å; E153-G268 WeakPolarHBondContact O-CA 3.35Å; F266-G268 PolarHBondContact O-N 2.89Å
269N93.9Very high81.5Confident11 Ų1141.9 Ų41.96%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-110.2142.2176.7-56.5-49000109.5K121 V122 K123 V152 E153 M208K121-N269 HydrophobicContact CB-CB 4.31Å; K121-N269 HydrophobicContact CD-CB 4.1Å; K121-N269 HydrophobicContact CG-CB 4.28Å; V122-N269 CarbonylContact O-C 3.53Å; V122-N269 WeakPolarHBondContact O-CA 3.27Å; K123-N269 WeakPolarHBondContact CA-OD1 3.23Å; K123-N269 WeakPolarHBondContact CB-OD1 3.43Å; V152-N269 WeakPolarHBondContact CA-O 3.18Å; V152-N269 WeakPolarHBondContact CG2-O 3.16Å; E153-N269 HydrophobicContact CB-CB 4.41Å; E153-N269 PolarHBondContact N-O 2.7Å; E153-N269 PolarHBondContact O-N 2.65Å; E153-N269 PolarHBondContact OE2-ND2 2.99Å; M208-N269 HydrophobicContact CE-CB 4.45Å
270M94.9Very high83.7Confident0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-114.6143176.7-175.866.577.700109V122 I124 F150 E151 V152 L163 L251 L273 W299V122-M270 PolarHBondContact N-O 2.9Å; V122-M270 PolarHBondContact O-N 3.41Å; I124-M270 HydrophobicContact CD1-CB 4.18Å; I124-M270 HydrophobicContact CD1-CE 4.04Å; I124-M270 HydrophobicContact CG1-CB 4.03Å; F150-M270 HydrophobicContact CB-SD 3.52Å; F150-M270 VanDerWaalsContact CB-SD 3.52Å; F150-M270 HydrophobicContact CD2-CE 3.89Å; F150-M270 HydrophobicContact CD2-SD 3.52Å; F150-M270 VanDerWaalsContact CD2-SD 3.52Å; F150-M270 HydrophobicContact CE2-CE 4.35Å; F150-M270 HydrophobicContact CE2-SD 4.49Å; F150-M270 HydrophobicContact CG-CE 4.26Å; F150-M270 HydrophobicContact CG-SD 3.73Å; E151-M270 CarbonylContact O-C 3.52Å; E151-M270 WeakPolarHBondContact O-CA 3.41Å; E151-M270 VanDerWaalsContact O-SD 3.39Å; V152-M270 HydrophobicContact CB-SD 4.39Å; L163-M270 HydrophobicContact CB-CE 4Å; L163-M270 HydrophobicContact CD2-CE 4.04Å; L163-M270 HydrophobicContact CG-CE 4.45Å; L251-M270 HydrophobicContact CD1-CB 4.25Å; L251-M270 HydrophobicContact CD1-CG 4.32Å; L251-M270 HydrophobicContact CD2-CG 4.24Å; M270-L273 HydrophobicContact CE-CD1 4.31Å; M270-L273 HydrophobicContact CG-CB 4.38Å; M270-L273 HydrophobicContact CG-CD1 4.44Å; M270-L273 HydrophobicContact SD-CD1 4.29Å; M270-W299 HydrophobicContact CB-CH2 4.45Å; M270-W299 HydrophobicContact CG-CH2 4.07Å; M270-W299 HydrophobicContact CG-CZ3 4.48Å
271Y94.9Very high86.1Confident0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-141.6146.2177.8173.7-115.4000111.1R118 Q120 E151 L273 W299 L317 C319R118-Y271 WeakPolarHBondContact O-CE2 3.26Å; R118-Y271 VanDerWaalsContact O-CZ 3.31Å; R118-Y271 PolarHBondContact O-OH 3.4Å; Q120-Y271 VanDerWaalsContact O-CD2 3.32Å; Q120-Y271 WeakPolarHBondContact O-CD2 2.97Å; E151-Y271 HydrophobicContact CB-CD1 3.96Å; E151-Y271 HydrophobicContact CG-CD1 4.23Å; E151-Y271 PolarHBondContact N-O 3.18Å; E151-Y271 PolarHBondContact O-N 3.06Å; Y271-L273 VanDerWaalsContact C-N 3.31Å; Y271-L273 PolarHBondContact O-N 3.06Å; Y271-W299 AromaticContact CD2-NE1 3.77Å; Y271-L317 HydrophobicContact CD1-CB 4.36Å; Y271-L317 HydrophobicContact CD1-CD2 3.98Å; Y271-L317 HydrophobicContact CD2-CD1 3.85Å; Y271-L317 HydrophobicContact CD2-CD2 4.22Å; Y271-L317 HydrophobicContact CD2-CG 4.46Å; Y271-L317 HydrophobicContact CE1-CB 3.85Å; Y271-L317 HydrophobicContact CE1-CD2 4.35Å; Y271-L317 HydrophobicContact CE2-CB 4.16Å; Y271-L317 HydrophobicContact CE2-CD1 3.73Å; Y271-L317 HydrophobicContact CE2-CG 4.36Å; Y271-L317 HydrophobicContact CG-CD1 4.39Å; Y271-L317 HydrophobicContact CG-CD2 3.91Å; Y271-C319 WeakPolarHBondContact OH-CB 3.23Å; Y271-C319 PolarHBondContact OH-N 2.91Å
272N93.4Very high88.3Confident1 Ų131.6 Ų31.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans52.440170.6-156.516.4000115.4R274 C290 W299N272-R274 PolarHBondContact ND2-NH2 3.46Å; N272-R274 PolarHBondContact O-N 2.8Å; N272-R274 PolarHBondContact O-NE 2.86Å; N272-R274 WeakPolarHBondContact OD1-CD 3.22Å; N272-R274 PolarHBondContact OD1-NE 2.95Å; N272-C290 PolarHBondContact ND2-O 3.46Å; N272-W299 VanDerWaalsContact CA-CG 3.4Å; N272-W299 VanDerWaalsContact N-CE2 3.29Å
273L96.1Very high90.1Very high0 Ų036.4 Ų36.40%018%0.184CC..EExtended strand (participates in β ladder)trans-71.3120.9177.5-170.7150000110.6I148 C149 F150 F164 F249 L251 M270 Y271 W299 W304I148-L273 HydrophobicContact CG2-CD1 4.38Å; I148-L273 HydrophobicContact CG2-CD2 4.22Å; I148-L273 HydrophobicContact CG2-CG 4.13Å; C149-L273 CarbonylContact O-C 3.5Å; C149-L273 VanDerWaalsContact O-CA 3.29Å; C149-L273 WeakPolarHBondContact O-CA 2.97Å; F150-L273 HydrophobicContact CB-CB 4Å; F150-L273 HydrophobicContact CB-CD1 4.23Å; F150-L273 HydrophobicContact CB-CG 4.09Å; F164-L273 HydrophobicContact CB-CD1 4.44Å; F164-L273 HydrophobicContact CD1-CD1 4.16Å; F249-L273 HydrophobicContact CE1-CD1 4.21Å; F249-L273 HydrophobicContact CE1-CD2 3.72Å; F249-L273 HydrophobicContact CZ-CD1 4.37Å; F249-L273 HydrophobicContact CZ-CD2 3.91Å; L251-L273 HydrophobicContact CD2-CD1 3.81Å; M270-L273 HydrophobicContact CE-CD1 4.31Å; M270-L273 HydrophobicContact CG-CB 4.38Å; M270-L273 HydrophobicContact CG-CD1 4.44Å; M270-L273 HydrophobicContact SD-CD1 4.29Å; Y271-L273 VanDerWaalsContact C-N 3.31Å; Y271-L273 PolarHBondContact O-N 3.06Å; L273-W299 HydrophobicContact CB-CE3 3.64Å; L273-W299 HydrophobicContact CB-CZ3 3.55Å; L273-W304 HydrophobicContact CB-CZ2 4.46Å; L273-W304 HydrophobicContact CD2-CH2 4.03Å; L273-W304 HydrophobicContact CD2-CZ2 3.85Å
274R95.5Very high91.6Very high1 Ų136.4 Ų36.40%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-134139.5-176.4-64.5169.5-72.9165.8-2.4110.3I148 C149 N272 W276 T289 C290 M292 I297I148-R274 CarbonylContact C-O 3.37Å; I148-R274 VanDerWaalsContact CA-O 3.3Å; I148-R274 WeakPolarHBondContact CA-O 3.43Å; C149-R274 PolarHBondContact N-O 2.89Å; C149-R274 PolarHBondContact O-N 2.88Å; N272-R274 PolarHBondContact ND2-NH2 3.46Å; N272-R274 PolarHBondContact O-N 2.8Å; N272-R274 PolarHBondContact O-NE 2.86Å; N272-R274 WeakPolarHBondContact OD1-CD 3.22Å; N272-R274 PolarHBondContact OD1-NE 2.95Å; R274-W276 HydrophobicContact CB-CE3 4.3Å; R274-W276 HydrophobicContact CB-CH2 3.35Å; R274-W276 HydrophobicContact CB-CZ2 4.19Å; R274-W276 HydrophobicContact CB-CZ3 3.41Å; R274-W276 VanDerWaalsContact CB-CZ3 3.41Å; R274-W276 HydrophobicContact CG-CH2 4.19Å; R274-T289 PolarHBondContact NH1-O 3.03Å; R274-C290 PolarHBondContact NH1-O 3.1Å; R274-M292 VanDerWaalsContact CD-O 3.28Å; R274-M292 WeakPolarHBondContact CD-O 3.49Å; R274-M292 PolarHBondContact NH1-O 3.23Å; R274-I297 CarbonylContact C-O 3.54Å; R274-I297 VanDerWaalsContact CA-O 3.29Å; R274-I297 WeakPolarHBondContact CA-O 3.25Å
275L96.5Very high92.4Very high2 Ų233.4 Ų33.41%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-120133.9179.7172.266.6000110.6L143 L146 T147 I148 V296 I297L143-L275 HydrophobicContact CD1-CD1 4.34Å; L143-L275 HydrophobicContact CD1-CD2 4.19Å; L146-L275 HydrophobicContact CB-CD1 4.02Å; T147-L275 WeakPolarHBondContact O-CA 3.18Å; I148-L275 HydrophobicContact CD1-CD1 3.95Å; I148-L275 HydrophobicContact CG1-CB 4.36Å; I148-L275 HydrophobicContact CG1-CD1 3.32Å; I148-L275 HydrophobicContact CG1-CG 4.37Å; L275-V296 HydrophobicContact CB-CB 4.32Å; L275-V296 HydrophobicContact CD2-CB 3.92Å; L275-V296 HydrophobicContact CD2-CG1 3.66Å; L275-V296 HydrophobicContact CG-CB 3.88Å; L275-V296 HydrophobicContact CG-CG1 4.21Å; L275-V296 HydrophobicContact CG-CG2 4.38Å; L275-V296 PolarHBondContact O-N 3.27Å; L275-V296 VanDerWaalsContact O-N 3.09Å; L275-I297 HydrophobicContact CB-CB 3.88Å; L275-I297 HydrophobicContact CB-CD1 3.99Å; L275-I297 HydrophobicContact CB-CG1 4.1Å; L275-I297 HydrophobicContact CD2-CD1 3.59Å; L275-I297 HydrophobicContact CD2-CG1 4.05Å; L275-I297 HydrophobicContact CG-CD1 4.44Å; L275-I297 PolarHBondContact N-O 2.85Å; L275-I297 PolarHBondContact O-N 2.8Å
276W96.8Very high92.5Very high16 Ų1637.1 Ų37.16%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-118.2145.3167.7-63.8-98.8000112.3L146 T147 C149 R274 R278 M280 L288 V293 N295L146-W276 VanDerWaalsContact CA-O 3.27Å; L146-W276 WeakPolarHBondContact CA-O 3.48Å; T147-W276 HydrophobicContact CG2-CE3 4.42Å; T147-W276 PolarHBondContact N-O 3.03Å; T147-W276 PolarHBondContact O-N 2.84Å; C149-W276 HydrophobicContact CB-CZ3 4.04Å; R274-W276 HydrophobicContact CB-CE3 4.3Å; R274-W276 HydrophobicContact CB-CH2 3.35Å; R274-W276 HydrophobicContact CB-CZ2 4.19Å; R274-W276 HydrophobicContact CB-CZ3 3.41Å; R274-W276 VanDerWaalsContact CB-CZ3 3.41Å; R274-W276 HydrophobicContact CG-CH2 4.19Å; W276-R278 HydrophobicContact CB-CG 4.41Å; W276-R278 PolarHBondContact O-N 2.84Å; W276-M280 HydrophobicContact CB-CE 4.27Å; W276-M280 HydrophobicContact CD2-CE 3.28Å; W276-M280 VanDerWaalsContact CE2-CE 3.47Å; W276-M280 HydrophobicContact CE3-CE 3.66Å; W276-M280 HydrophobicContact CG-CE 3.57Å; W276-M280 HydrophobicContact CH2-CE 4.31Å; W276-M280 HydrophobicContact CZ2-CE 4.01Å; W276-M280 HydrophobicContact CZ3-CE 4.16Å; W276-L288 HydrophobicContact CH2-CD1 4.26Å; W276-L288 HydrophobicContact CH2-CD2 4.11Å; W276-L288 HydrophobicContact CZ2-CD1 4.25Å; W276-L288 HydrophobicContact CZ3-CD2 4.49Å; W276-V293 PolarHBondContact NE1-O 2.81Å; W276-N295 WeakPolarHBondContact CA-OD1 3.49Å; W276-N295 WeakPolarHBondContact CB-OD1 3.49Å; W276-N295 VanDerWaalsContact CD1-OD1 3.26Å
277N94Very high92.5Very high71 Ų7140.3 Ų40.338%0.3821%0.214SC..SBendtrans-80.821.1177.667.8-13.7000114.7L143 E145 N295 V296L143-N277 HydrophobicContact CD2-CB 3.61Å; E145-N277 CarbonylContact O-C 3.44Å; E145-N277 VanDerWaalsContact O-C 3.25Å; N277-N295 PolarHBondContact N-OD1 3.32Å; N277-N295 PolarHBondContact OD1-ND2 2.65Å; N277-V296 HydrophobicContact CB-CG2 3.68Å
278R93.9Very high92.5Very high112 Ų11237.6 Ų37.642%0.42320%0.204SC..SBendtrans-143.5152.5-179.768.1-176.3-171.4155.515.5110.1L146 T147 W276 E284L146-R278 CarbonylContact C-O 3.31Å; L146-R278 VanDerWaalsContact C-O 3.31Å; T147-R278 WeakPolarHBondContact CB-O 3.44Å; T147-R278 PolarHBondContact N-O 3.1Å; T147-R278 VanDerWaalsContact N-O 3.16Å; T147-R278 PolarHBondContact OG1-O 3.25Å; W276-R278 HydrophobicContact CB-CG 4.41Å; W276-R278 PolarHBondContact O-N 2.84Å; R278-E284 IonicContact CZ-OE1 2.87Å; R278-E284 IonicContact NH1-OE1 3.74Å; R278-E284 IonicContact NH2-OE1 3.83Å; R278-E284 PolarHBondContact NH2-OE1 3.21Å
279A91.8Very high92.4Very high16 Ų1640.4 Ų40.413%0.13222%0.221CC..  trans-89.1115.1173.800000110.6E145 T147 M216E145-A279 HydrophobicContact CB-CB 4.16Å; T147-A279 WeakPolarHBondContact OG1-CA 3.32Å; M216-A279 HydrophobicContact CE-CB 3.27Å; M216-A279 HydrophobicContact CG-CB 3.29Å; M216-A279 HydrophobicContact SD-CB 4Å
280M92.9Very high92Very high8 Ų841.2 Ų41.24%0.03923%0.227CC..  trans-70.5149-177.2-69.8-176.3-174.200112.7T147 L214 W276 E284 L285 L288T147-M280 HydrophobicContact CG2-CB 4.37Å; T147-M280 HydrophobicContact CG2-CE 4.47Å; T147-M280 HydrophobicContact CG2-CG 4.09Å; T147-M280 HydrophobicContact CG2-SD 4.02Å; T147-M280 PolarHBondContact OG1-N 2.81Å; L214-M280 HydrophobicContact CD2-CB 4.31Å; L214-M280 VanDerWaalsContact CD2-O 3.32Å; L214-M280 WeakPolarHBondContact CD2-O 3.01Å; W276-M280 HydrophobicContact CB-CE 4.27Å; W276-M280 HydrophobicContact CD2-CE 3.28Å; W276-M280 VanDerWaalsContact CE2-CE 3.47Å; W276-M280 HydrophobicContact CE3-CE 3.66Å; W276-M280 HydrophobicContact CG-CE 3.57Å; W276-M280 HydrophobicContact CH2-CE 4.31Å; W276-M280 HydrophobicContact CZ2-CE 4.01Å; W276-M280 HydrophobicContact CZ3-CE 4.16Å; M280-E284 HydrophobicContact CB-CB 4.16Å; M280-E284 HydrophobicContact CG-CB 4.45Å; M280-L285 HydrophobicContact CB-CD2 4.05Å; M280-L285 HydrophobicContact CB-CG 3.91Å; M280-L285 HydrophobicContact SD-CD2 4.17Å; M280-L288 HydrophobicContact CE-CD1 3.92Å; M280-L288 HydrophobicContact SD-CD1 4Å
281T90.6Very high91.5Very high77 Ų7745.3 Ų45.347%0.47225%0.249SC..  trans-75161.5170.563.30000111.6Q283 E284 L285T281-Q283 PolarHBondContact O-N 2.96Å; T281-E284 PolarHBondContact N-OE2 3.46Å; T281-E284 PolarHBondContact O-N 3.02Å; T281-E284 WeakPolarHBondContact OG1-CG 3.44Å; T281-E284 PolarHBondContact OG1-N 2.99Å; T281-E284 PolarHBondContact OG1-OE2 3.27Å; T281-L285 WeakPolarHBondContact O-CG 3.33Å; T281-L285 PolarHBondContact O-N 2.82Å
282V89.2Confident91.3Very high76 Ų7649.3 Ų49.346%0.46127%0.268SS..Hα-helixtrans-58.7-33.7176.7-178.90000111.8Y230 S286Y230-V282 HydrophobicContact CD1-CG2 4.34Å; Y230-V282 HydrophobicContact CD2-CG2 4.04Å; Y230-V282 HydrophobicContact CG-CG2 3.87Å; V282-S286 WeakPolarHBondContact O-CB 3.17Å; V282-S286 PolarHBondContact O-N 3.43Å; V282-S286 PolarHBondContact O-OG 3.01Å
283Q88.7Confident91.1Very high158 Ų15853.8 Ų53.874%0.73830%0.295SS*.Hα-helixtrans-68.8-47.3178.3-167.8169.5-100111.1T281 L285 S286 S287T281-Q283 PolarHBondContact O-N 2.96Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.09Å; Q283-S286 PolarHBondContact O-N 2.88Å; Q283-S286 PolarHBondContact O-OG 2.93Å; Q283-S287 PolarHBondContact O-N 3.02Å; Q283-S287 PolarHBondContact O-OG 3.46Å
284E90.5Very high90.9Very high59 Ų5953.9 Ų53.928%0.27630%0.297SS..Hα-helixtrans-60-42.6175-72.2171.412700112R278 M280 T281 S286 S287 L288R278-E284 IonicContact CZ-OE1 2.87Å; R278-E284 IonicContact NH1-OE1 3.74Å; R278-E284 IonicContact NH2-OE1 3.83Å; R278-E284 PolarHBondContact NH2-OE1 3.21Å; M280-E284 HydrophobicContact CB-CB 4.16Å; M280-E284 HydrophobicContact CG-CB 4.45Å; T281-E284 PolarHBondContact N-OE2 3.46Å; T281-E284 PolarHBondContact O-N 3.02Å; T281-E284 WeakPolarHBondContact OG1-CG 3.44Å; T281-E284 PolarHBondContact OG1-N 2.99Å; T281-E284 PolarHBondContact OG1-OE2 3.27Å; E284-S286 VanDerWaalsContact C-N 3.31Å; E284-S286 PolarHBondContact O-N 2.8Å; E284-S287 WeakPolarHBondContact CA-OG 2.99Å; E284-S287 PolarHBondContact O-N 2.89Å; E284-S287 PolarHBondContact O-OG 2.83Å; E284-L288 PolarHBondContact O-N 2.81Å; E284-L288 VanDerWaalsContact O-N 3.11Å
285L91.3Very high90.7Very high4 Ų458.2 Ų58.22%0.02132%0.32CS..Hα-helixtrans-62.4-37.1176.9-72.2168000112.5T147 C212 L214 Y225 Y230 M280 T281 Q283 S287 L288T147-L285 HydrophobicContact CG2-CD2 4.21Å; C212-L285 HydrophobicContact CB-CD2 3.88Å; L214-L285 HydrophobicContact CD1-CD1 4.09Å; L214-L285 HydrophobicContact CD2-CD1 4.01Å; Y225-L285 HydrophobicContact CD1-CB 4.21Å; Y225-L285 HydrophobicContact CD2-CB 4.3Å; Y225-L285 HydrophobicContact CD2-CD1 4.13Å; Y225-L285 HydrophobicContact CE1-CB 4.21Å; Y225-L285 HydrophobicContact CE2-CB 4.3Å; Y225-L285 HydrophobicContact CG-CB 4.25Å; Y225-L285 HydrophobicContact CG-CD1 4.04Å; Y230-L285 HydrophobicContact CD2-CD1 4.33Å; M280-L285 HydrophobicContact CB-CD2 4.05Å; M280-L285 HydrophobicContact CB-CG 3.91Å; M280-L285 HydrophobicContact SD-CD2 4.17Å; T281-L285 WeakPolarHBondContact O-CG 3.33Å; T281-L285 PolarHBondContact O-N 2.82Å; Q283-L285 VanDerWaalsContact C-N 3.34Å; Q283-L285 PolarHBondContact O-N 3.09Å; L285-S287 VanDerWaalsContact C-N 3.32Å; L285-L288 PolarHBondContact O-N 2.98Å
286S88.2Confident90.6Very high79 Ų7958.7 Ų58.755%0.55232%0.323SS*.Hα-helixtrans-73-24.2178.571.10000113.8V282 Q283 E284V282-S286 WeakPolarHBondContact O-CB 3.17Å; V282-S286 PolarHBondContact O-N 3.43Å; V282-S286 PolarHBondContact O-OG 3.01Å; Q283-S286 PolarHBondContact O-N 2.88Å; Q283-S286 PolarHBondContact O-OG 2.93Å; E284-S286 VanDerWaalsContact C-N 3.31Å; E284-S286 PolarHBondContact O-N 2.8Å
287S89.3Confident90.5Very high68 Ų6858 Ų5848%0.47632%0.32SS..THydrogen-bonded Turntrans-95.80.3176.857.90000113.7Q283 E284 L285 T289Q283-S287 PolarHBondContact O-N 3.02Å; Q283-S287 PolarHBondContact O-OG 3.46Å; E284-S287 WeakPolarHBondContact CA-OG 2.99Å; E284-S287 PolarHBondContact O-N 2.89Å; E284-S287 PolarHBondContact O-OG 2.83Å; L285-S287 VanDerWaalsContact C-N 3.32Å; S287-T289 PolarHBondContact O-N 3.43Å; S287-T289 VanDerWaalsContact O-N 3.11Å
288L89.1Confident90.6Very high28 Ų2855 Ų5515%0.14730%0.304CS..  trans-69.9110.9-174.8-162.880.3000109.8C149 F210 W276 M280 E284 L285 M292C149-L288 HydrophobicContact CB-CD2 4.09Å; F210-L288 HydrophobicContact CE2-CD2 4.43Å; F210-L288 HydrophobicContact CZ-CD2 3.89Å; W276-L288 HydrophobicContact CH2-CD1 4.26Å; W276-L288 HydrophobicContact CH2-CD2 4.11Å; W276-L288 HydrophobicContact CZ2-CD1 4.25Å; W276-L288 HydrophobicContact CZ3-CD2 4.49Å; M280-L288 HydrophobicContact CE-CD1 3.92Å; M280-L288 HydrophobicContact SD-CD1 4Å; E284-L288 PolarHBondContact O-N 2.81Å; E284-L288 VanDerWaalsContact O-N 3.11Å; L285-L288 PolarHBondContact O-N 2.98Å; L288-M292 HydrophobicContact CD1-CB 4.4Å; L288-M292 HydrophobicContact CD1-SD 3.78Å; L288-M292 HydrophobicContact CG-SD 4.43Å
289T89.2Confident90.5Very high62 Ų6249.6 Ų49.638%0.3828%0.284SS..  trans-81.9163.917458.20000110.3R274 S287 D291 M292R274-T289 PolarHBondContact NH1-O 3.03Å; S287-T289 PolarHBondContact O-N 3.43Å; S287-T289 VanDerWaalsContact O-N 3.11Å; T289-D291 VanDerWaalsContact C-N 3.3Å; T289-D291 WeakPolarHBondContact CB-OD1 3.14Å; T289-D291 PolarHBondContact O-N 3.27Å; T289-D291 PolarHBondContact OG1-OD1 2.86Å; T289-M292 HydrophobicContact CG2-CE 4.45Å; T289-M292 VanDerWaalsContact OG1-CG 3.3Å; T289-M292 WeakPolarHBondContact OG1-CG 3.11Å
290C85.6Confident90.4Very high28 Ų2851.5 Ų51.519%0.18929%0.292CS..SBendtrans-73.3-26.5-17687.40000111.6R118 N272 R274 S318 C319R118-C290 PolarHBondContact NH1-O 2.95Å; N272-C290 PolarHBondContact ND2-O 3.46Å; R274-C290 PolarHBondContact NH1-O 3.1Å; C290-S318 VanDerWaalsContact SG-C 3.59Å; C290-S318 PolarHBondContact SG-O 2.96Å; C290-C319 VanDerWaalsContact CA-SG 3.56Å; C290-C319 HydrophobicContact CB-CB 4.3Å; C290-C319 WeakPolarHBondContact CB-SG 3.12Å; C290-C319 PolarHBondContact O-SG 3Å; C290-C319 VanDerWaalsContact O-SG 3.34Å; C290-C319 WeakPolarHBondContact SG-CA 3.15Å; C290-C319 WeakPolarHBondContact SG-CB 3.21Å; C290-C319 CovalentContact SG-SG 2.03Å; C290-C319 PolarHBondContact SG-SG 3.17Å
291D84.7Confident90Very high85 Ų8554.2 Ų54.246%0.45531%0.307SS..SBendtrans-85.6-16.1-178.665.6-28.1000114.5R118 T289 V293R118-D291 PolarHBondContact NH2-O 2.93Å; T289-D291 VanDerWaalsContact C-N 3.3Å; T289-D291 WeakPolarHBondContact CB-OD1 3.14Å; T289-D291 PolarHBondContact O-N 3.27Å; T289-D291 PolarHBondContact OG1-OD1 2.86Å; D291-V293 PolarHBondContact O-N 3.45Å
292M89.3Confident89.8Confident84 Ų8454.3 Ų54.341%0.41431%0.311SS..PPolyproline II helixtrans-56127174.3-85.6176.2-167.600111.4R274 L288 T289R274-M292 VanDerWaalsContact CD-O 3.28Å; R274-M292 WeakPolarHBondContact CD-O 3.49Å; R274-M292 PolarHBondContact NH1-O 3.23Å; L288-M292 HydrophobicContact CD1-CB 4.4Å; L288-M292 HydrophobicContact CD1-SD 3.78Å; L288-M292 HydrophobicContact CG-SD 4.43Å; T289-M292 HydrophobicContact CG2-CE 4.45Å; T289-M292 VanDerWaalsContact OG1-CG 3.3Å; T289-M292 WeakPolarHBondContact OG1-CG 3.11Å
293V90.6Very high89.9Confident95 Ų9552.7 Ų52.758%0.57630%0.298SS*.PPolyproline II helixtrans-78.4131.1-175.2179.40000111.1W276 D291 D298W276-V293 PolarHBondContact NE1-O 2.81Å; D291-V293 PolarHBondContact O-N 3.45Å; V293-D298 WeakPolarHBondContact CA-OD1 3.42Å; V293-D298 HydrophobicContact CG1-CB 3.97Å
294G91.9Very high90Very high3 Ų345.7 Ų45.73%0.03127%0.265CS..PPolyproline II helixtrans-67.9128.8169.300000111.7V296 I297 D298G294-V296 VanDerWaalsContact C-N 3.29Å; G294-V296 PolarHBondContact O-N 2.86Å; G294-I297 WeakPolarHBondContact CA-O 3.49Å; G294-D298 PolarHBondContact N-OD1 3.46Å
295N91.8Very high89.9Confident92 Ų9246 Ų4649%0.49227%0.271SS..SBendtrans-79.3-10.9-176.774.4-25.7000114W276 N277W276-N295 WeakPolarHBondContact CA-OD1 3.49Å; W276-N295 WeakPolarHBondContact CB-OD1 3.49Å; W276-N295 VanDerWaalsContact CD1-OD1 3.26Å; N277-N295 PolarHBondContact N-OD1 3.32Å; N277-N295 PolarHBondContact OD1-ND2 2.65Å
296V93.6Very high89.7Confident12 Ų1247.5 Ų47.57%0.07328%0.278CS..SBendtrans-111.7-52.3172.4-1730000111.3V138 I140 P141 L275 N277 G294V138-V296 WeakPolarHBondContact CG1-O 3.47Å; I140-V296 HydrophobicContact CG1-CG1 4.29Å; I140-V296 HydrophobicContact CG2-CG1 4.27Å; P141-V296 HydrophobicContact CG-CG2 4.48Å; L275-V296 HydrophobicContact CB-CB 4.32Å; L275-V296 HydrophobicContact CD2-CB 3.92Å; L275-V296 HydrophobicContact CD2-CG1 3.66Å; L275-V296 HydrophobicContact CG-CB 3.88Å; L275-V296 HydrophobicContact CG-CG1 4.21Å; L275-V296 HydrophobicContact CG-CG2 4.38Å; L275-V296 PolarHBondContact O-N 3.27Å; L275-V296 VanDerWaalsContact O-N 3.09Å; N277-V296 HydrophobicContact CB-CG2 3.68Å; G294-V296 VanDerWaalsContact C-N 3.29Å; G294-V296 PolarHBondContact O-N 2.86Å
297I95.4Very high89.4Confident0 Ų045.3 Ų45.30%026%0.263CS..BIsolated β-bridgetrans-131.5129.6175.3-56.6163.7000107.7V134 I140 F249 R274 L275 G294 W304V134-I297 HydrophobicContact CG2-CD1 3.94Å; V134-I297 HydrophobicContact CG2-CG1 4.21Å; V134-I297 HydrophobicContact CG2-CG2 3.87Å; I140-I297 HydrophobicContact CD1-CD1 4.14Å; F249-I297 HydrophobicContact CB-CD1 4.02Å; F249-I297 HydrophobicContact CD1-CD1 4.1Å; F249-I297 HydrophobicContact CD2-CD1 3.84Å; F249-I297 HydrophobicContact CE2-CD1 4.34Å; F249-I297 HydrophobicContact CG-CD1 3.72Å; R274-I297 CarbonylContact C-O 3.54Å; R274-I297 VanDerWaalsContact CA-O 3.29Å; R274-I297 WeakPolarHBondContact CA-O 3.25Å; L275-I297 HydrophobicContact CB-CB 3.88Å; L275-I297 HydrophobicContact CB-CD1 3.99Å; L275-I297 HydrophobicContact CB-CG1 4.1Å; L275-I297 HydrophobicContact CD2-CD1 3.59Å; L275-I297 HydrophobicContact CD2-CG1 4.05Å; L275-I297 HydrophobicContact CG-CD1 4.44Å; L275-I297 PolarHBondContact N-O 2.85Å; L275-I297 PolarHBondContact O-N 2.8Å; G294-I297 WeakPolarHBondContact CA-O 3.49Å; I297-W304 HydrophobicContact CG2-CZ2 3.56Å
298D94.6Very high88.6Confident8 Ų845.5 Ų45.54%0.04326%0.264CS..  trans-116.4155.8172.2-163.248.1000111.5R118 V293 G294 D300 W304R118-D298 IonicContact CZ-OD2 3.89Å; R118-D298 IonicContact NE-OD2 3.7Å; R118-D298 IonicContact NH2-OD1 3.18Å; R118-D298 PolarHBondContact NH2-OD1 3.33Å; R118-D298 IonicContact NH2-OD2 3.54Å; R118-D298 PolarHBondContact NH2-OD2 2.88Å; V293-D298 WeakPolarHBondContact CA-OD1 3.42Å; V293-D298 HydrophobicContact CG1-CB 3.97Å; G294-D298 PolarHBondContact N-OD1 3.46Å; D298-D300 PolarHBondContact O-N 3.36Å; D298-W304 PolarHBondContact O-NE1 2.86Å
299W92.5Very high88.1Confident0 Ų047.8 Ų47.80%028%0.283CS..SBendtrans-82.365.5179.5-162.2-106.5000111.6L117 R118 Q120 V122 L251 M270 Y271 N272 L273 W304L117-W299 HydrophobicContact CD2-CD2 3.95Å; L117-W299 HydrophobicContact CD2-CE3 4.45Å; L117-W299 HydrophobicContact CD2-CG 4.06Å; L117-W299 HydrophobicContact CG-CD2 4.24Å; L117-W299 HydrophobicContact CG-CG 4.19Å; L117-W299 PolarHBondContact O-NE1 2.77Å; R118-W299 WeakPolarHBondContact CG-O 3.07Å; Q120-W299 PolarHBondContact O-NE1 3.11Å; V122-W299 HydrophobicContact CB-CH2 4.05Å; V122-W299 HydrophobicContact CB-CZ2 3.96Å; V122-W299 HydrophobicContact CG2-CH2 3.9Å; V122-W299 HydrophobicContact CG2-CZ2 3.47Å; V122-W299 VanDerWaalsContact CG2-CZ2 3.47Å; L251-W299 HydrophobicContact CD1-CH2 3.98Å; L251-W299 HydrophobicContact CD1-CZ3 4.32Å; M270-W299 HydrophobicContact CB-CH2 4.45Å; M270-W299 HydrophobicContact CG-CH2 4.07Å; M270-W299 HydrophobicContact CG-CZ3 4.48Å; Y271-W299 AromaticContact CD2-NE1 3.77Å; N272-W299 VanDerWaalsContact CA-CG 3.4Å; N272-W299 VanDerWaalsContact N-CE2 3.29Å; L273-W299 HydrophobicContact CB-CE3 3.64Å; L273-W299 HydrophobicContact CB-CZ3 3.55Å; W299-W304 AromaticContact CE3-CE2 3.92Å; W299-W304 AromaticContact CE3-CZ2 3.94Å; W299-W304 HydrophobicContact CE3-CZ2 3.94Å; W299-W304 HydrophobicContact CZ3-CH2 4.16Å; W299-W304 AromaticContact CZ3-CZ2 3.88Å; W299-W304 HydrophobicContact CZ3-CZ2 3.88Å
300D89.3Confident87.9Confident56 Ų5644.9 Ų44.930%0.29927%0.265SS..SBendtrans-128.7146.1-175.7-171.6-95.2000112.5D298 S302 Q303 W304D298-D300 PolarHBondContact O-N 3.36Å; D300-S302 PolarHBondContact O-N 2.02Å; D300-S302 WeakPolarHBondContact OD1-CB 3.44Å; D300-S302 PolarHBondContact OD1-N 2.86Å; D300-S302 PolarHBondContact OD1-OG 2.83Å; D300-Q303 PolarHBondContact O-N 2.85Å; D300-W304 PolarHBondContact O-N 3.31Å
301N84.8Confident87.8Confident65 Ų6544.7 Ų44.735%0.34827%0.265SS..THydrogen-bonded Turntrans-60.5-26.2-179.9-76.5-36.3000112.8V115 L117 Q303V115-N301 PolarHBondContact O-ND2 3.26Å; L117-N301 WeakPolarHBondContact CB-OD1 3.35Å; N301-Q303 PolarHBondContact O-N 2.79Å
302S86.4Confident87.7Confident79 Ų7944.6 Ų44.655%0.55226%0.262SS*.THydrogen-bonded Turntrans-75.4-8.4176.569.20000114I135 D300I135-S302 WeakPolarHBondContact CD1-O 3.49Å; D300-S302 PolarHBondContact O-N 2.02Å; D300-S302 WeakPolarHBondContact OD1-CB 3.44Å; D300-S302 PolarHBondContact OD1-N 2.86Å; D300-S302 PolarHBondContact OD1-OG 2.83Å
303Q90.3Very high87.2Confident41 Ų4145.1 Ų45.119%0.19227%0.27CS..THydrogen-bonded Turntrans-117.2-12.6-178.5-62.9-164.810.400113.8V134 I135 V138 D300 N301V134-Q303 WeakPolarHBondContact CA-O 3.31Å; I135-Q303 PolarHBondContact N-O 3.41Å; V138-Q303 HydrophobicContact CG2-CB 3.91Å; V138-Q303 HydrophobicContact CG2-CG 3.88Å; D300-Q303 PolarHBondContact O-N 2.85Å; N301-Q303 PolarHBondContact O-N 2.79Å
304W91.4Very high86.5Confident11 Ų1142 Ų424%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-122.4139.2-175.9-69.884.4000112.5L117 V134 F249 L251 L273 I297 D298 W299 D300 I306L117-W304 HydrophobicContact CD2-CB 4.08Å; L117-W304 HydrophobicContact CD2-CG 4.02Å; V134-W304 HydrophobicContact CG2-CD2 4.13Å; V134-W304 HydrophobicContact CG2-CE3 4.07Å; V134-W304 HydrophobicContact CG2-CH2 3.9Å; V134-W304 HydrophobicContact CG2-CZ2 3.95Å; V134-W304 HydrophobicContact CG2-CZ3 3.95Å; F249-W304 AromaticContact CD1-CH2 3.91Å; F249-W304 HydrophobicContact CD1-CH2 3.91Å; F249-W304 HydrophobicContact CD1-CZ3 4.47Å; F249-W304 AromaticContact CE1-CH2 3.98Å; F249-W304 HydrophobicContact CE1-CH2 3.98Å; L251-W304 HydrophobicContact CD1-CZ3 4.39Å; L251-W304 HydrophobicContact CD2-CH2 3.8Å; L251-W304 HydrophobicContact CD2-CZ3 3.95Å; L251-W304 HydrophobicContact CG-CH2 4.22Å; L251-W304 HydrophobicContact CG-CZ3 3.84Å; L273-W304 HydrophobicContact CB-CZ2 4.46Å; L273-W304 HydrophobicContact CD2-CH2 4.03Å; L273-W304 HydrophobicContact CD2-CZ2 3.85Å; I297-W304 HydrophobicContact CG2-CZ2 3.56Å; D298-W304 PolarHBondContact O-NE1 2.86Å; W299-W304 AromaticContact CE3-CE2 3.92Å; W299-W304 AromaticContact CE3-CZ2 3.94Å; W299-W304 HydrophobicContact CE3-CZ2 3.94Å; W299-W304 HydrophobicContact CZ3-CH2 4.16Å; W299-W304 AromaticContact CZ3-CZ2 3.88Å; W299-W304 HydrophobicContact CZ3-CZ2 3.88Å; D300-W304 PolarHBondContact O-N 3.31Å; W304-I306 HydrophobicContact CB-CD1 3.72Å; W304-I306 HydrophobicContact CB-CG1 4.05Å; W304-I306 HydrophobicContact CG-CD1 4.23Å
305T88.9Confident85.5Confident66 Ų6648.7 Ų48.741%0.40529%0.285SS..EExtended strand (participates in β ladder)trans-102104.9162.6-68.20000108.6I131 A132 E133 I135I131-T305 HydrophobicContact CG2-CG2 4.2Å; A132-T305 WeakPolarHBondContact CA-O 3.47Å; E133-T305 PolarHBondContact N-O 3.12Å; E133-T305 VanDerWaalsContact N-O 3.1Å; E133-T305 PolarHBondContact O-N 3.2Å; I135-T305 WeakPolarHBondContact CG2-OG1 3.46Å
306I86.4Confident84.8Confident35 Ų3550 Ų5018%0.17930%0.296CS..EExtended strand (participates in β ladder)trans-120.2126.6-179.7-64.5158.1000109.1L117 V122 I131 A132 W304 S308 L310 A311L117-I306 HydrophobicContact CD1-CD1 3.51Å; L117-I306 HydrophobicContact CD2-CD1 3.69Å; L117-I306 HydrophobicContact CG-CD1 4.24Å; V122-I306 HydrophobicContact CG1-CG2 3.86Å; V122-I306 HydrophobicContact CG2-CD1 3.85Å; V122-I306 HydrophobicContact CG2-CG2 4.26Å; I131-I306 CarbonylContact O-C 3.59Å; I131-I306 WeakPolarHBondContact O-CA 3.43Å; A132-I306 HydrophobicContact CB-CG1 4.29Å; W304-I306 HydrophobicContact CB-CD1 3.72Å; W304-I306 HydrophobicContact CB-CG1 4.05Å; W304-I306 HydrophobicContact CG-CD1 4.23Å; I306-S308 PolarHBondContact O-N 3.16Å; I306-L310 HydrophobicContact CG2-CB 4.17Å; I306-A311 HydrophobicContact CG2-CB 4.47Å
307S82.3Confident84.4Confident33 Ų3349.7 Ų49.723%0.23129%0.294CS..  trans-61.2128.3172.3-60.30000110.4I131 S309 L310I131-S307 PolarHBondContact N-OG 3.23Å; I131-S307 PolarHBondContact O-N 3.49Å; I131-S307 PolarHBondContact O-OG 2.84Å; S307-S309 PolarHBondContact O-N 2.87Å; S307-L310 WeakPolarHBondContact O-CB 3.43Å; S307-L310 PolarHBondContact O-N 3.5Å
308S72.6Confident83.8Confident72 Ų7253 Ų5350%0.50332%0.318SS..G310 helixtrans-53.6-30.3-17756.80000114.2I306 L310 A311I306-S308 PolarHBondContact O-N 3.16Å; S308-L310 PolarHBondContact O-N 3.38Å; S308-A311 PolarHBondContact O-N 3.17Å
309S79.3Confident83Confident77 Ų7753.1 Ų53.154%0.53832%0.319SS..G310 helixtrans-62.7-15.2173.966.60000115.6Q130 S307Q130-S309 PolarHBondContact NE2-OG 3.23Å; S307-S309 PolarHBondContact O-N 2.87Å
310L83.7Confident81.5Confident1 Ų154 Ų541%0.00533%0.325CS..G310 helixtrans-98-25.1-179.3-62.7179.9000113.1V122 K123 P125 Q130 A132 I306 S307 S308V122-L310 WeakPolarHBondContact CA-O 3.18Å; V122-L310 HydrophobicContact CG1-CB 4.18Å; K123-L310 HydrophobicContact CB-CD2 4.16Å; K123-L310 PolarHBondContact N-O 3.03Å; K123-L310 WeakPolarHBondContact O-CD2 3.19Å; P125-L310 HydrophobicContact CB-CD1 4.27Å; P125-L310 HydrophobicContact CG-CD1 3.73Å; Q130-L310 HydrophobicContact CB-CD1 3.96Å; Q130-L310 HydrophobicContact CB-CD2 4.32Å; Q130-L310 HydrophobicContact CB-CG 4.28Å; Q130-L310 HydrophobicContact CG-CD2 4.43Å; A132-L310 HydrophobicContact CB-CD1 4.15Å; I306-L310 HydrophobicContact CG2-CB 4.17Å; S307-L310 WeakPolarHBondContact O-CB 3.43Å; S307-L310 PolarHBondContact O-N 3.5Å; S308-L310 PolarHBondContact O-N 3.38Å
311A84.8Confident79.5Confident23 Ų2357.4 Ų57.419%0.1934%0.344CS..EExtended strand (participates in β ladder)trans-85.2131.3-176.600000111Q120 I306 S308Q120-A311 HydrophobicContact CB-CB 4.42Å; I306-A311 HydrophobicContact CG2-CB 4.47Å; S308-A311 PolarHBondContact O-N 3.17Å
312Q81.9Confident77.4Confident84 Ų8461 Ų6139%0.39336%0.362SS..EExtended strand (participates in β ladder)trans-132126.3-179.6-63.4178.814.400109.5Q120 K121Q120-Q312 CarbonylContact C-O 3.57Å; Q120-Q312 VanDerWaalsContact CA-O 3.25Å; Q120-Q312 WeakPolarHBondContact CA-O 3.28Å; K121-Q312 HydrophobicContact CG-CB 4.08Å; K121-Q312 PolarHBondContact N-O 2.72Å; K121-Q312 PolarHBondContact O-N 3.45Å
313T78.1Confident74.9Confident94 Ų9463.7 Ų63.758%0.57737%0.369SS*.EExtended strand (participates in β ladder)trans-73.2134.1174.544.30000111.1V115 N119 Q120V115-T313 HydrophobicContact CG1-CG2 3.84Å; N119-T313 WeakPolarHBondContact O-CA 3.37Å; Q120-T313 HydrophobicContact CG-CG2 3.97Å
314D76.3Confident72Confident31 Ų3168 Ų6817%0.16640%0.398CS..  trans-146120.9-179.2-172.7-22.6000109.6N119 K121 T316 L317N119-D314 PolarHBondContact O-N 3.13Å; K121-D314 HydrophobicContact CD-CB 4.2Å; K121-D314 VanDerWaalsContact CE-OD2 3.31Å; K121-D314 WeakPolarHBondContact CE-OD2 3.35Å; K121-D314 HydrophobicContact CG-CB 4.48Å; K121-D314 IonicContact NZ-OD2 3.83Å; K121-D314 PolarHBondContact NZ-OD2 3.05Å; D314-T316 PolarHBondContact O-N 2.04Å; D314-T316 WeakPolarHBondContact OD1-CB 3.45Å; D314-T316 PolarHBondContact OD1-N 3.29Å; D314-T316 PolarHBondContact OD1-OG1 2.49Å; D314-L317 HydrophobicContact CB-CD1 3.86Å; D314-L317 HydrophobicContact CB-CD2 4.25Å; D314-L317 HydrophobicContact CB-CG 3.76Å; D314-L317 VanDerWaalsContact O-CD1 3.32Å; D314-L317 WeakPolarHBondContact O-CD1 3.31Å; D314-L317 WeakPolarHBondContact O-CG 3.4Å
315N71.2Confident68.9Low142 Ų14270.7 Ų70.776%0.75943%0.429SS*.THydrogen-bonded Turntrans-84.24.3-176.9-62.6-5000112.6S320N315-S320 PolarHBondContact O-OG 3.16Å
316T77.9Confident65.7Low119 Ų11972.6 Ų72.673%0.7345%0.445SS*.THydrogen-bonded Turntrans-98.73.9173.968.60000112.3D314D314-T316 PolarHBondContact O-N 2.04Å; D314-T316 WeakPolarHBondContact OD1-CB 3.45Å; D314-T316 PolarHBondContact OD1-N 3.29Å; D314-T316 PolarHBondContact OD1-OG1 2.49Å
317L83.5Confident62.8Low6 Ų678.8 Ų78.83%0.03148%0.478CS..SBendtrans-75.4147.4-178.8-63.1175000111.2K121 M208 Y271 D314 C319 S320K121-L317 HydrophobicContact CB-CD1 4.37Å; K121-L317 HydrophobicContact CB-CD2 4.23Å; M208-L317 HydrophobicContact CE-CD2 3.76Å; Y271-L317 HydrophobicContact CD1-CB 4.36Å; Y271-L317 HydrophobicContact CD1-CD2 3.98Å; Y271-L317 HydrophobicContact CD2-CD1 3.85Å; Y271-L317 HydrophobicContact CD2-CD2 4.22Å; Y271-L317 HydrophobicContact CD2-CG 4.46Å; Y271-L317 HydrophobicContact CE1-CB 3.85Å; Y271-L317 HydrophobicContact CE1-CD2 4.35Å; Y271-L317 HydrophobicContact CE2-CB 4.16Å; Y271-L317 HydrophobicContact CE2-CD1 3.73Å; Y271-L317 HydrophobicContact CE2-CG 4.36Å; Y271-L317 HydrophobicContact CG-CD1 4.39Å; Y271-L317 HydrophobicContact CG-CD2 3.91Å; D314-L317 HydrophobicContact CB-CD1 3.86Å; D314-L317 HydrophobicContact CB-CD2 4.25Å; D314-L317 HydrophobicContact CB-CG 3.76Å; D314-L317 VanDerWaalsContact O-CD1 3.32Å; D314-L317 WeakPolarHBondContact O-CD1 3.31Å; D314-L317 WeakPolarHBondContact O-CG 3.4Å; L317-C319 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-N 3.31Å; L317-S320 PolarHBondContact O-OG 3.42Å; L317-S320 VanDerWaalsContact O-OG 3.11Å
318S82.9Confident60.3Low71 Ų7182.9 Ų82.950%0.49750%0.504SS..THydrogen-bonded Turntrans-57.3-20.4-172.4-56.90000115.3E151 C290E151-S318 WeakPolarHBondContact OE1-CB 3.35Å; E151-S318 PolarHBondContact OE1-OG 2.78Å; E151-S318 PolarHBondContact OE2-OG 2.9Å; C290-S318 VanDerWaalsContact SG-C 3.59Å; C290-S318 PolarHBondContact SG-O 2.96Å
319C78.9Confident58.1Low9 Ų983.8 Ų83.86%0.06152%0.516CS..THydrogen-bonded Turntrans-112.611.3174.8-53.50000115.9Y271 C290 L317 D321Y271-C319 WeakPolarHBondContact OH-CB 3.23Å; Y271-C319 PolarHBondContact OH-N 2.91Å; C290-C319 VanDerWaalsContact CA-SG 3.56Å; C290-C319 HydrophobicContact CB-CB 4.3Å; C290-C319 WeakPolarHBondContact CB-SG 3.12Å; C290-C319 PolarHBondContact O-SG 3Å; C290-C319 VanDerWaalsContact O-SG 3.34Å; C290-C319 WeakPolarHBondContact SG-CA 3.15Å; C290-C319 WeakPolarHBondContact SG-CB 3.21Å; C290-C319 CovalentContact SG-SG 2.03Å; C290-C319 PolarHBondContact SG-SG 3.17Å; L317-C319 PolarHBondContact O-N 2.95Å; C319-D321 PolarHBondContact O-N 2.95Å; C319-D321 VanDerWaalsContact O-N 3.14Å
320S59.9Low55.5Low18 Ų1886.7 Ų86.713%0.12653%0.53CS..THydrogen-bonded Turntrans-72-5.6-172.362.70000115.3N315 L317N315-S320 PolarHBondContact O-OG 3.16Å; L317-S320 PolarHBondContact O-N 3.31Å; L317-S320 PolarHBondContact O-OG 3.42Å; L317-S320 VanDerWaalsContact O-OG 3.11Å
321D47.7Very low52.8Low129 Ų12990 Ų9069%0.6957%0.566SS**THydrogen-bonded Turntrans-88.6-0.4-172.6-74-24.6000115.9C319 I323 T324C319-D321 PolarHBondContact O-N 2.95Å; C319-D321 VanDerWaalsContact O-N 3.14Å; D321-I323 PolarHBondContact O-N 3.09Å; D321-T324 PolarHBondContact O-N 3.04Å; D321-T324 PolarHBondContact O-OG1 3.16Å
322L40.2Very low50.1Low139 Ų13995.6 Ų95.673%0.72860%0.601SS**THydrogen-bonded Turntrans-75.912.6-177.1-90.1151.7000115.5
323I35.2Very low47.3Very low137 Ų13798.7 Ų98.770%0.70362%0.621SS**THydrogen-bonded Turntrans-1021.3175.2-57-179.5000112.4D321 G325D321-I323 PolarHBondContact O-N 3.09Å; I323-G325 VanDerWaalsContact C-N 3.31Å; I323-G325 PolarHBondContact O-N 2.86Å; I323-G325 VanDerWaalsContact O-N 3.12Å
324T29.5Very low44.7Very low132 Ų13299.7 Ų99.781%0.8163%0.631SS**  trans-89.763.7173.151.60000112.6D321 S326D321-T324 PolarHBondContact O-N 3.04Å; D321-T324 PolarHBondContact O-OG1 3.16Å; T324-S326 PolarHBondContact O-N 3.42Å
325G24.8Very low42.4Very low66 Ų66102 Ų10268%0.6866%0.663SS**  trans-84.492.6162.600000111I323I323-G325 VanDerWaalsContact C-N 3.31Å; I323-G325 PolarHBondContact O-N 2.86Å; I323-G325 VanDerWaalsContact O-N 3.12Å
326S23.5Very low40.2Very low107 Ų10799 Ų9975%0.74867%0.666SS**  trans4598.9159.562.10000119T324 P328T324-S326 PolarHBondContact O-N 3.42Å; S326-P328 WeakPolarHBondContact O-CD 3.33Å
327N25.3Very low38Very low165 Ų165102.5 Ų102.588%0.88268%0.679SS**  trans-71.6125.9142.7-85.9-16000108.7
328P28.1Very low35.3Very low118 Ų118105.8 Ų105.877%0.76671%0.714SS**  trans-9396151.227.2-13.6000108S326S326-P328 WeakPolarHBondContact O-CD 3.33Å
329A26.9Very low32.5Very low91 Ų91108.3 Ų108.375%0.75273%0.73SS**  trans-90.7103.1149.200000106.4
330T25.9Very low29.8Very low138 Ų138113.4 Ų113.485%0.84777%0.766SS**  trans-173.6122152.214.90000109.6
331G25.4Very low28.1Very low72 Ų72117 Ų11774%0.74280%0.797SS**  trans69114.814500000117.5D333G331-D333 PolarHBondContact O-N 2.78Å
332C28.6Very low27Very low139 Ų139119.4 Ų119.494%0.93980%0.804SS**  trans-50.1108.2144.3-74.50000108.4
333D23.7Very low26.2Very low149 Ų149120.7 Ų120.780%0.79781%0.806SS**  trans-145.8128.1154.4-116.7-17.4000108.7G331G331-D333 PolarHBondContact O-N 2.78Å
334S23.5Very low25.5Very low115 Ų115119.8 Ų119.880%0.80481%0.807SS**  trans78.6119.8160.6-37.10000118.8
335G27Very low25.1Very low80 Ų80120.3 Ų120.383%0.82581%0.811SS**  trans-80.2173.5163.400000113.8
336G26.5Very low25Very low80 Ų80121.8 Ų121.883%0.82581%0.81SS**  trans97.3113.2148.600000117.4
337L30.5Very low24.9Very low192 Ų192123.6 Ų123.6100%1.00581%0.811SS**  trans-52.7141.2153.3-81.2132.2000111.4
338G27.6Very low24.7Very low75 Ų75121.7 Ų121.777%0.77381%0.805SS**  trans134.7113.8152.500000115.5
339C24.1Very low24.5Very low123 Ų123120.6 Ų120.683%0.83181%0.806SS**  trans-60.4149.7178.8-58.80000115.2
340S23.2Very low24.3Very low116 Ų116120.9 Ų120.981%0.81181%0.808SS**  trans67.4102.5146.5-44.70000121.4
341A24.3Very low24.2Very low95 Ų95120.8 Ų120.879%0.78581%0.807SS**  trans39.8119.4135.400000122.3
342E22.8Very low24.1Very low179 Ų179123.1 Ų123.184%0.83681%0.812SS**  179.1135.7106.3-102.1-178.9169.200113.8
343Q23.6Very low23.8Very low165 Ų165121.9 Ų121.977%0.77181%0.805SS**  trans48.1110.7146.8-78.1-175.6-0.700124.3
344T20.5Very low23.7Very low118 Ų118119.9 Ų119.972%0.72481%0.809SS**  44.2116.5127.336.70000120.6
345T21.8Very low23.7Very low143 Ų143119.2 Ų119.288%0.87780%0.804SS**  -174.4151.797.325.90000112.4
346S21.5Very low23.5Very low97 Ų97122.2 Ų122.268%0.67881%0.807SS**  trans-85.2157.9-169.547.70000115.2
347I22.4Very low23.5Very low146 Ų146125.3 Ų125.375%0.74981%0.805SS**  152.1108.7120.3-74.7167.1000113.3
348T21.9Very low23.2Very low124 Ų124125.4 Ų125.476%0.76180%0.799SS**  trans43.2120.7141.361.40000125.6
349A23.6Very low23Very low96 Ų96125.7 Ų125.779%0.79379%0.794SS**  58.1127.7109.200000123.8
350A22.5Very low23.1Very low96 Ų96127.4 Ų127.479%0.79380%0.795SS**  trans-173.1110.7130.400000107.9
351V22.8Very low23.1Very low137 Ų137128.1 Ų128.183%0.8380%0.795SS**  50.9106.381.1-171.70000114.8
352S23.4Very low23.4Very low121 Ų121131.1 Ų131.185%0.84680%0.798SS**  trans-157.7110136.560.70000111.3
353S22.5Very low23.6Very low113 Ų113127.1 Ų127.179%0.7979%0.79SS**  trans-71.2145170.449.60000113.3
354A22.7Very low23.9Very low107 Ų107125 Ų12588%0.88479%0.788SS**  trans-153.8114.7141.500000110.4
355S22.7Very low24.9Very low100 Ų100124.1 Ų124.170%0.69978%0.782SS**  trans-75.6145.8179.451.40000113.5
356T22.5Very low25.9Very low143 Ų143121 Ų12188%0.87776%0.76SS**  trans-142.3120.1140.637.80000109.9
357N27.2Very low27.5Very low146 Ų146121.1 Ų121.178%0.78175%0.753SS**  trans-59.7141.1-179.5-62.6-42.9000113
358H23.7Very low29.4Very low193 Ų193115 Ų11589%0.89473%0.725SS**  trans-154.9108.5134.4-109-59.2000112.5
359A23.1Very low31.7Very low81 Ų81110.3 Ų110.367%0.66970%0.696SS**  trans22.5106.9154.400000119.7T361A359-T361 PolarHBondContact O-N 2.74Å
360D25.7Very low34.3Very low159 Ų159106.2 Ų106.285%0.8566%0.66SS**  trans-55.2118.5147.3-70.9-47.4000110.5
361T24.5Very low37Very low132 Ų132101.7 Ų101.781%0.8162%0.622SS**  trans-114.493.9153.142.30000108.6A359 S363A359-T361 PolarHBondContact O-N 2.74Å; T361-S363 PolarHBondContact O-N 3.23Å
362N30.5Very low39.9Very low157 Ų15797.6 Ų97.684%0.8459%0.592SS**  trans-54.6101.7158.3-86.3-23.4000109.4
363S26.6Very low42.5Very low96 Ų9692 Ų9267%0.67155%0.553SS**  trans-102.593.7160.5159.50000107.3T361 V365T361-S363 PolarHBondContact O-N 3.23Å; S363-V365 PolarHBondContact O-N 3.22Å
364T29.8Very low45.3Very low120 Ų12087.6 Ų87.674%0.73652%0.522SS*.  trans-56.6102.8164.145.40000109L366T364-L366 PolarHBondContact O-N 3.37Å
365V40.6Very low48Very low99 Ų9982.6 Ų82.660%0.648%0.48SS*.  trans-67.9113.9168179.30000106.5S363 D367S363-V365 PolarHBondContact O-N 3.22Å; V365-D367 PolarHBondContact O-N 3.45Å
366L44.7Very low50.6Low77 Ų7779.1 Ų79.140%0.40346%0.455SS..  trans-75.5104.3170.8-117.588.1000107.8T364 G368 L408 T441T364-L366 PolarHBondContact O-N 3.37Å; L366-G368 PolarHBondContact O-N 3.06Å; L366-L408 HydrophobicContact CD1-CD1 3.66Å; L366-L408 HydrophobicContact CD2-CD1 4.1Å; L366-T441 HydrophobicContact CD2-CG2 4.17Å
367D53.7Low53.2Low101 Ų10172.3 Ų72.354%0.5441%0.413SS..  trans-69.3116.2169.7-78.9-33.1000109.4V365V365-D367 PolarHBondContact O-N 3.45Å
368G62Low55.4Low16 Ų1669.9 Ų69.917%0.16540%0.397CS..  trans-156145178.300000111.6L366 F370 I440L366-G368 PolarHBondContact O-N 3.06Å; G368-F370 WeakPolarHBondContact O-CD2 3.44Å; G368-F370 WeakPolarHBondContact O-CE2 3.16Å; G368-I440 CarbonylContact C-O 3.57Å; G368-I440 VanDerWaalsContact CA-O 3.26Å; G368-I440 WeakPolarHBondContact CA-O 3.24Å
369L70.3Confident57.6Low26 Ų2661 Ų6114%0.13636%0.357CS..EExtended strand (participates in β ladder)trans-78.7138.6175.4-63.2178000110.2Y371 M439 I440L369-Y371 HydrophobicContact CB-CD2 4.49Å; L369-Y371 HydrophobicContact CB-CE2 3.67Å; L369-Y371 WeakPolarHBondContact CD1-OH 3.14Å; L369-M439 CarbonylContact O-C 3.53Å; L369-M439 WeakPolarHBondContact O-CA 3.49Å; L369-I440 PolarHBondContact N-O 3.4Å; L369-I440 PolarHBondContact O-N 3.47Å
370F79.4Confident59.7Low11 Ų1164.1 Ų64.15%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-105.8133.1178.3-62.4-89.9000110.8G368 L437 L438 M439 I475 P493 R494 I515G368-F370 WeakPolarHBondContact O-CD2 3.44Å; G368-F370 WeakPolarHBondContact O-CE2 3.16Å; F370-L437 HydrophobicContact CB-CD1 4.37Å; F370-L437 HydrophobicContact CD1-CD1 4.37Å; F370-L438 CarbonylContact C-O 3.55Å; F370-L438 WeakPolarHBondContact CA-O 3.26Å; F370-M439 HydrophobicContact CD1-CB 4.11Å; F370-M439 HydrophobicContact CD1-CG 4.12Å; F370-M439 HydrophobicContact CE1-CB 4.11Å; F370-M439 HydrophobicContact CE1-CE 3.45Å; F370-M439 VanDerWaalsContact CE1-CE 3.45Å; F370-M439 HydrophobicContact CE1-CG 3.78Å; F370-M439 HydrophobicContact CE1-SD 4.21Å; F370-M439 HydrophobicContact CE2-CE 4.29Å; F370-M439 HydrophobicContact CZ-CE 3.25Å; F370-M439 HydrophobicContact CZ-CG 4.25Å; F370-I475 HydrophobicContact CB-CB 4.07Å; F370-I475 HydrophobicContact CB-CD1 3.91Å; F370-I475 HydrophobicContact CB-CG1 4.1Å; F370-I475 PolarHBondContact O-N 2.76Å; F370-P493 HydrophobicContact CD2-CB 3.83Å; F370-P493 HydrophobicContact CD2-CG 4.29Å; F370-P493 HydrophobicContact CE2-CB 4.07Å; F370-R494 HydrophobicContact CE2-CG 4.38Å; F370-R494 HydrophobicContact CZ-CB 4.36Å; F370-R494 HydrophobicContact CZ-CG 3.86Å; F370-I515 HydrophobicContact CB-CD1 4.18Å; F370-I515 HydrophobicContact CD1-CD1 3.5Å; F370-I515 VanDerWaalsContact CD1-CD1 3.5Å; F370-I515 HydrophobicContact CD2-CD1 4.02Å; F370-I515 HydrophobicContact CE1-CD1 3.76Å; F370-I515 HydrophobicContact CE2-CD1 4.27Å; F370-I515 HydrophobicContact CG-CD1 3.62Å; F370-I515 HydrophobicContact CZ-CD1 4.14Å
371Y78.9Confident61.6Low0 Ų058.4 Ų58.40%033%0.327CS..EExtended strand (participates in β ladder)trans-122.7137.8179.5-65.2-85.8000110.6L369 L438 I440 L445 E447 V450 V472 R473 Q474L369-Y371 HydrophobicContact CB-CD2 4.49Å; L369-Y371 HydrophobicContact CB-CE2 3.67Å; L369-Y371 WeakPolarHBondContact CD1-OH 3.14Å; Y371-L438 PolarHBondContact N-O 3.07Å; Y371-L438 PolarHBondContact O-N 3.3Å; Y371-I440 HydrophobicContact CD2-CB 4.42Å; Y371-I440 HydrophobicContact CD2-CD1 3.75Å; Y371-I440 HydrophobicContact CD2-CG1 4.01Å; Y371-I440 HydrophobicContact CE2-CB 4.15Å; Y371-I440 HydrophobicContact CE2-CD1 3.74Å; Y371-I440 HydrophobicContact CE2-CG1 4.13Å; Y371-L445 PolarHBondContact OH-O 2.95Å; Y371-E447 HydrophobicContact CE1-CG 4.25Å; Y371-V450 HydrophobicContact CE1-CG2 4.37Å; Y371-V450 HydrophobicContact CE2-CG2 4.37Å; Y371-V472 HydrophobicContact CD1-CG1 3.89Å; Y371-V472 HydrophobicContact CG-CG1 4.43Å; Y371-R473 CarbonylContact C-O 3.44Å; Y371-R473 WeakPolarHBondContact CA-O 3.42Å; Y371-Q474 HydrophobicContact CD1-CB 4.07Å; Y371-Q474 HydrophobicContact CE1-CB 3.86Å; Y371-Q474 HydrophobicContact CE1-CG 4.13Å
372R82.6Confident63.5Low52 Ų5254.8 Ų54.820%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-99.3113.2167.6-176.9177.665.9-168.8-7.4108.8V436 R473 I475 T519 F520R372-V436 WeakPolarHBondContact CA-O 3.49Å; R372-R473 PolarHBondContact N-O 3.24Å; R372-R473 PolarHBondContact O-N 2.87Å; R372-I475 HydrophobicContact CB-CG1 4.44Å; R372-T519 PolarHBondContact NH1-O 3.27Å; R372-F520 HydrophobicContact CG-CB 4.1Å; R372-F520 HydrophobicContact CG-CD2 4.27Å
373V79.1Confident65.1Low2 Ų253.4 Ų53.41%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-101.9124.9176.3-174.80000108.9F375 Q435 V436 L438 L454 I470 N471 V472V373-F375 HydrophobicContact CG1-CD1 4.48Å; V373-Q435 CarbonylContact O-C 3.56Å; V373-Q435 WeakPolarHBondContact O-CA 3.49Å; V373-V436 HydrophobicContact CB-CB 4.49Å; V373-V436 PolarHBondContact N-O 3.18Å; V373-V436 PolarHBondContact O-N 2.79Å; V373-L438 HydrophobicContact CG2-CB 4.46Å; V373-L454 HydrophobicContact CG1-CD1 3.79Å; V373-L454 HydrophobicContact CG2-CD1 4.33Å; V373-I470 HydrophobicContact CG1-CG2 4.16Å; V373-N471 CarbonylContact C-O 3.37Å; V373-N471 WeakPolarHBondContact CA-O 3.44Å; V373-V472 HydrophobicContact CG1-CG2 4.35Å; V373-V472 HydrophobicContact CG2-CG1 4.45Å; V373-V472 HydrophobicContact CG2-CG2 4.24Å
374S80.3Confident66.8Low21 Ų2156 Ų5615%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-119.9133.5175.159.20000110.7C434 I470 N471S374-C434 CarbonylContact C-O 3.58Å; S374-C434 VanDerWaalsContact CA-O 3.25Å; S374-C434 WeakPolarHBondContact CA-O 2.91Å; S374-I470 CarbonylContact O-C 3.59Å; S374-I470 WeakPolarHBondContact O-CA 3.41Å; S374-N471 PolarHBondContact N-O 3.34Å; S374-N471 PolarHBondContact O-N 3.03Å; S374-N471 WeakPolarHBondContact OG-CB 3.41Å; S374-N471 PolarHBondContact OG-ND2 2.91Å; S374-N471 PolarHBondContact OG-O 3.08Å
375F80.3Confident68.5Low3 Ų354.7 Ų54.71%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-146.1159177.361.8-86.3000111V373 V377 W393 I397 C434 V436 A467 I470V373-F375 HydrophobicContact CG1-CD1 4.48Å; F375-V377 HydrophobicContact CD2-CG2 3.72Å; F375-V377 HydrophobicContact CE2-CG2 3.66Å; F375-W393 HydrophobicContact CE2-CD2 4.3Å; F375-W393 HydrophobicContact CE2-CE3 4.47Å; F375-W393 HydrophobicContact CE2-CG 4.49Å; F375-W393 HydrophobicContact CZ-CB 4.32Å; F375-W393 HydrophobicContact CZ-CD2 4.36Å; F375-W393 HydrophobicContact CZ-CE3 4.4Å; F375-W393 HydrophobicContact CZ-CG 4.34Å; F375-I397 HydrophobicContact CE1-CD1 4.43Å; F375-C434 HydrophobicContact CD1-CB 4.16Å; F375-C434 HydrophobicContact CD2-CB 4.09Å; F375-C434 HydrophobicContact CE1-CB 3.74Å; F375-C434 HydrophobicContact CE2-CB 3.66Å; F375-C434 HydrophobicContact CG-CB 4.32Å; F375-C434 HydrophobicContact CZ-CB 3.47Å; F375-C434 VanDerWaalsContact CZ-CB 3.47Å; F375-C434 PolarHBondContact N-O 3.32Å; F375-C434 PolarHBondContact O-N 2.99Å; F375-V436 HydrophobicContact CE1-CG2 4.08Å; F375-A467 HydrophobicContact CD2-CB 3.92Å; F375-I470 HydrophobicContact CB-CG1 4.02Å
376T77.9Confident69.6Low27 Ų2750 Ų5017%0.16625%0.254CS..EExtended strand (participates in β ladder)trans-111144.5178.255.90000111.2I431 F432 T433 A468 N469T376-I431 HydrophobicContact CG2-CG2 4.38Å; T376-F432 CarbonylContact C-O 3.46Å; T376-F432 VanDerWaalsContact CA-O 3.31Å; T376-F432 WeakPolarHBondContact CA-O 3.47Å; T376-T433 HydrophobicContact CG2-CG2 4.39Å; T376-A468 WeakPolarHBondContact CA-O 3.32Å; T376-A468 PolarHBondContact N-O 3.46Å; T376-A468 PolarHBondContact O-N 3.32Å; T376-A468 VanDerWaalsContact O-O 3.12Å; T376-A468 PolarHBondContact OG1-O 3.13Å; T376-N469 PolarHBondContact OG1-ND2 2.91Å
377V75.5Confident70.5Confident0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-131.6129176.8-174.70000108.8F375 W393 F432 L464F375-V377 HydrophobicContact CD2-CG2 3.72Å; F375-V377 HydrophobicContact CE2-CG2 3.66Å; V377-W393 HydrophobicContact CB-CH2 4.34Å; V377-W393 HydrophobicContact CB-CZ2 4.11Å; V377-W393 HydrophobicContact CG1-CH2 4.48Å; V377-W393 HydrophobicContact CG1-CZ2 3.9Å; V377-W393 HydrophobicContact CG2-CH2 4.15Å; V377-W393 HydrophobicContact CG2-CZ2 3.8Å; V377-F432 PolarHBondContact N-O 3.41Å; V377-F432 PolarHBondContact O-N 2.79Å; V377-L464 WeakPolarHBondContact CG1-O 3.47Å
378E73.2Confident71.1Confident94 Ų9457.2 Ų57.244%0.43927%0.273SS..EExtended strand (participates in β ladder)trans-97.7121.4175.5-169.1177.8-17800109R429 I431E378-R429 HydrophobicContact CG-CB 4.47Å; E378-R429 WeakPolarHBondContact OE1-CD 3.27Å; E378-R429 IonicContact OE1-CZ 2.73Å; E378-R429 IonicContact OE1-NE 3.76Å; E378-R429 IonicContact OE1-NH1 3.59Å; E378-R429 PolarHBondContact OE1-NH1 3.25Å; E378-I431 HydrophobicContact CG-CG1 4.43Å
379S70.2Confident71.1Confident7 Ų756.7 Ų56.75%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-143.3151.2-180-174.20000112L381 T430S379-L381 VanDerWaalsContact C-N 3.35Å; S379-L381 WeakPolarHBondContact OG-CB 3.39Å; S379-L381 WeakPolarHBondContact OG-CG 3.34Å; S379-L381 PolarHBondContact OG-N 3.48Å; S379-T430 PolarHBondContact N-O 3.32Å; S379-T430 PolarHBondContact O-N 3.28Å
380E68.2Low70.9Confident146 Ų14656.9 Ų56.968%0.68227%0.27SS*.SBendtrans-89.2-5174.1-57.3-171.9169.300112.1R429E380-R429 HydrophobicContact CG-CG 4.3Å; E380-R429 IonicContact OE1-NE 2.74Å
381L65.5Low70.3Confident39 Ų3958.9 Ų58.920%0.20429%0.289CS..SBendtrans-76.2156.1-176.2-66.8168.3000113.3S379 E385 V386 L463 L464S379-L381 VanDerWaalsContact C-N 3.35Å; S379-L381 WeakPolarHBondContact OG-CB 3.39Å; S379-L381 WeakPolarHBondContact OG-CG 3.34Å; S379-L381 PolarHBondContact OG-N 3.48Å; L381-E385 HydrophobicContact CB-CB 4.09Å; L381-E385 HydrophobicContact CD2-CB 4.37Å; L381-V386 HydrophobicContact CB-CG2 3.97Å; L381-L463 HydrophobicContact CD1-CD2 4.48Å; L381-L463 WeakPolarHBondContact CD1-O 3.39Å; L381-L464 HydrophobicContact CD1-CD2 3.78Å; L381-L464 HydrophobicContact CD1-CG 3.81Å
382S64.2Low69.9Low56 Ų5662.6 Ų62.639%0.39231%0.308SS..  trans-71.2157.6175.969.90000112.4Q384 E385 V386S382-Q384 PolarHBondContact O-N 2.78Å; S382-Q384 VanDerWaalsContact O-N 3.12Å; S382-E385 WeakPolarHBondContact CB-OE2 3.28Å; S382-E385 PolarHBondContact N-OE2 2.88Å; S382-E385 PolarHBondContact O-N 2.89Å; S382-E385 VanDerWaalsContact OG-CD 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.42Å; S382-E385 PolarHBondContact OG-OE2 2.68Å; S382-V386 PolarHBondContact O-N 2.7Å
383Q63.3Low69.3Low129 Ų12960.5 Ų60.560%0.60330%0.3SS*.Hα-helixtrans-54.9-34.2-179.7-173.3177.8-6.900113Q387Q383-Q387 WeakPolarHBondContact O-CB 3.41Å; Q383-Q387 PolarHBondContact O-N 2.87Å; Q383-Q387 VanDerWaalsContact O-N 3.08Å
384Q63.3Low68.8Low151 Ų15162.5 Ų62.571%0.70631%0.312SS*.Hα-helixtrans-71.7-33.6178-75.2-179.2-1500113.2S382 R388S382-Q384 PolarHBondContact O-N 2.78Å; S382-Q384 VanDerWaalsContact O-N 3.12Å; Q384-R388 PolarHBondContact O-N 3.31Å
385E65.1Low68.4Low92 Ų9269.6 Ų69.643%0.4334%0.336SS..Hα-helixtrans-74.4-39.9177.4-70.3164137.800111.1L381 S382 Q387 R388 A389L381-E385 HydrophobicContact CB-CB 4.09Å; L381-E385 HydrophobicContact CD2-CB 4.37Å; S382-E385 WeakPolarHBondContact CB-OE2 3.28Å; S382-E385 PolarHBondContact N-OE2 2.88Å; S382-E385 PolarHBondContact O-N 2.89Å; S382-E385 VanDerWaalsContact OG-CD 3.27Å; S382-E385 WeakPolarHBondContact OG-CG 3.42Å; S382-E385 PolarHBondContact OG-OE2 2.68Å; E385-Q387 VanDerWaalsContact C-N 3.29Å; E385-Q387 PolarHBondContact O-N 3.48Å; E385-R388 PolarHBondContact O-N 2.65Å; E385-A389 PolarHBondContact O-N 3.49Å; E385-A389 VanDerWaalsContact O-N 3.08Å
386V63.7Low68.3Low1 Ų170.7 Ų70.71%0.00634%0.34CS..Hα-helixtrans-64.9-33.9174.1177.30000111.6L381 S382 R388 A389 T390 W393 L420 F432 L464L381-V386 HydrophobicContact CB-CG2 3.97Å; S382-V386 PolarHBondContact O-N 2.7Å; V386-R388 VanDerWaalsContact C-N 3.33Å; V386-R388 PolarHBondContact O-N 2.93Å; V386-A389 WeakPolarHBondContact O-CB 3.5Å; V386-A389 PolarHBondContact O-N 3.49Å; V386-A389 VanDerWaalsContact O-N 3.14Å; V386-T390 WeakPolarHBondContact O-CG2 3.27Å; V386-T390 PolarHBondContact O-N 2.87Å; V386-W393 HydrophobicContact CG1-CH2 3.84Å; V386-W393 HydrophobicContact CG1-CZ3 4.32Å; V386-L420 HydrophobicContact CG1-CD1 4.35Å; V386-L420 HydrophobicContact CG1-CD2 3.82Å; V386-F432 HydrophobicContact CB-CD1 4.49Å; V386-F432 HydrophobicContact CB-CE1 4.18Å; V386-F432 HydrophobicContact CB-CZ 4.22Å; V386-F432 HydrophobicContact CG1-CD1 3.9Å; V386-F432 HydrophobicContact CG1-CD2 4.3Å; V386-F432 HydrophobicContact CG1-CE1 4.1Å; V386-F432 HydrophobicContact CG1-CE2 4.5Å; V386-F432 HydrophobicContact CG1-CG 4Å; V386-F432 HydrophobicContact CG1-CZ 4.39Å; V386-F432 HydrophobicContact CG2-CD2 4.22Å; V386-F432 HydrophobicContact CG2-CE1 4.08Å; V386-F432 HydrophobicContact CG2-CE2 3.7Å; V386-F432 HydrophobicContact CG2-CZ 3.61Å; V386-L464 HydrophobicContact CG2-CD2 4.19Å
387Q64.5Low68.1Low121 Ų12169.6 Ų69.657%0.56533%0.333SS*.Hα-helixtrans-66.2-33.8175.3-160.3164.5-5.700112.5Q383 E385 T390Q383-Q387 WeakPolarHBondContact O-CB 3.41Å; Q383-Q387 PolarHBondContact O-N 2.87Å; Q383-Q387 VanDerWaalsContact O-N 3.08Å; E385-Q387 VanDerWaalsContact C-N 3.29Å; E385-Q387 PolarHBondContact O-N 3.48Å; Q387-T390 PolarHBondContact O-OG1 2.98Å
388R64.9Low67.8Low207 Ų20773.9 Ų73.978%0.78136%0.356SS*.Hα-helixtrans-70.8-31.7170.9-70.2-178.6-176.5156.52.1112.6Q384 E385 V386 T390Q384-R388 PolarHBondContact O-N 3.31Å; E385-R388 PolarHBondContact O-N 2.65Å; V386-R388 VanDerWaalsContact C-N 3.33Å; V386-R388 PolarHBondContact O-N 2.93Å; R388-T390 VanDerWaalsContact C-N 3.3Å; R388-T390 PolarHBondContact O-N 3.28Å
389A62.6Low67.8Low5 Ų575.8 Ų75.84%0.04137%0.365CS..Hα-helixtrans-70.2-21.1177.700000114.5E385 V386 A391 L392 L464E385-A389 PolarHBondContact O-N 3.49Å; E385-A389 VanDerWaalsContact O-N 3.08Å; V386-A389 WeakPolarHBondContact O-CB 3.5Å; V386-A389 PolarHBondContact O-N 3.49Å; V386-A389 VanDerWaalsContact O-N 3.14Å; A389-A391 PolarHBondContact O-N 3.01Å; A389-A391 VanDerWaalsContact O-N 3.15Å; A389-L392 VanDerWaalsContact O-CB 3.31Å; A389-L392 WeakPolarHBondContact O-CB 3.47Å; A389-L392 PolarHBondContact O-N 2.85Å; A389-L464 HydrophobicContact CB-CD1 3.31Å; A389-L464 HydrophobicContact CB-CD2 3.46Å; A389-L464 VanDerWaalsContact CB-CD2 3.46Å; A389-L464 HydrophobicContact CB-CG 3.99Å
390T66.4Low68Low30 Ų3076 Ų7618%0.18437%0.366CS..Hα-helixtrans-54.3-34.4178.858.80000113.7V386 Q387 R388 L392 W393 V394 L418 L420V386-T390 WeakPolarHBondContact O-CG2 3.27Å; V386-T390 PolarHBondContact O-N 2.87Å; Q387-T390 PolarHBondContact O-OG1 2.98Å; R388-T390 VanDerWaalsContact C-N 3.3Å; R388-T390 PolarHBondContact O-N 3.28Å; T390-L392 PolarHBondContact O-N 3Å; T390-W393 HydrophobicContact CG2-CE3 4.31Å; T390-W393 HydrophobicContact CG2-CZ3 4.18Å; T390-W393 PolarHBondContact O-N 3.34Å; T390-V394 WeakPolarHBondContact O-CG2 3.38Å; T390-V394 PolarHBondContact O-N 3.37Å; T390-V394 VanDerWaalsContact O-N 3.07Å; T390-L418 HydrophobicContact CG2-CD2 4Å; T390-L420 HydrophobicContact CG2-CD1 3.48Å; T390-L420 VanDerWaalsContact CG2-CD1 3.48Å
391A66.6Low68.2Low54 Ų5469.2 Ų69.245%0.44633%0.334SS..Hα-helixtrans-62.5-28.6176.200000113.1A389 R395A389-A391 PolarHBondContact O-N 3.01Å; A389-A391 VanDerWaalsContact O-N 3.15Å; A391-R395 WeakPolarHBondContact O-CG 3.27Å; A391-R395 PolarHBondContact O-N 2.8Å; A391-R395 VanDerWaalsContact O-N 3.13Å
392L70.2Confident68.3Low78 Ų7873.7 Ų73.741%0.40835%0.354SS..Hα-helixtrans-73.5-40.4177.2-62.7171.3000111.4A389 T390 V394 R395 W396 L464A389-L392 VanDerWaalsContact O-CB 3.31Å; A389-L392 WeakPolarHBondContact O-CB 3.47Å; A389-L392 PolarHBondContact O-N 2.85Å; T390-L392 PolarHBondContact O-N 3Å; L392-V394 VanDerWaalsContact C-N 3.35Å; L392-R395 PolarHBondContact O-N 2.86Å; L392-W396 PolarHBondContact O-N 2.76Å; L392-L464 HydrophobicContact CD1-CD1 4.46Å
393W70.8Confident68.1Low7 Ų778.6 Ų78.63%0.02738%0.376CS..Hα-helixtrans-67.3-37175.1-59.1-35.3000112.2F375 V377 V386 T390 R395 W396 I397 L418 L420 C434 L464F375-W393 HydrophobicContact CE2-CD2 4.3Å; F375-W393 HydrophobicContact CE2-CE3 4.47Å; F375-W393 HydrophobicContact CE2-CG 4.49Å; F375-W393 HydrophobicContact CZ-CB 4.32Å; F375-W393 HydrophobicContact CZ-CD2 4.36Å; F375-W393 HydrophobicContact CZ-CE3 4.4Å; F375-W393 HydrophobicContact CZ-CG 4.34Å; V377-W393 HydrophobicContact CB-CH2 4.34Å; V377-W393 HydrophobicContact CB-CZ2 4.11Å; V377-W393 HydrophobicContact CG1-CH2 4.48Å; V377-W393 HydrophobicContact CG1-CZ2 3.9Å; V377-W393 HydrophobicContact CG2-CH2 4.15Å; V377-W393 HydrophobicContact CG2-CZ2 3.8Å; V386-W393 HydrophobicContact CG1-CH2 3.84Å; V386-W393 HydrophobicContact CG1-CZ3 4.32Å; T390-W393 HydrophobicContact CG2-CE3 4.31Å; T390-W393 HydrophobicContact CG2-CZ3 4.18Å; T390-W393 PolarHBondContact O-N 3.34Å; W393-R395 VanDerWaalsContact C-N 3.32Å; W393-R395 PolarHBondContact O-N 3.38Å; W393-W396 PolarHBondContact O-N 2.77Å; W393-I397 WeakPolarHBondContact O-CG1 3.37Å; W393-I397 PolarHBondContact O-N 3.13Å; W393-L418 HydrophobicContact CB-CD1 4.35Å; W393-L418 HydrophobicContact CE3-CD1 4.34Å; W393-L418 HydrophobicContact CE3-CD2 4.07Å; W393-L418 HydrophobicContact CZ3-CD2 4.31Å; W393-L420 HydrophobicContact CZ3-CD2 4.47Å; W393-C434 WeakPolarHBondContact CZ3-SG 3.46Å; W393-L464 HydrophobicContact CZ2-CD2 4.07Å
394V68.8Low67.8Low44 Ų4476.2 Ų76.227%0.26736%0.361SS..Hα-helixtrans-60.5-43.7172.7169.50000111.1T390 L392 N398 L416 L418T390-V394 WeakPolarHBondContact O-CG2 3.38Å; T390-V394 PolarHBondContact O-N 3.37Å; T390-V394 VanDerWaalsContact O-N 3.07Å; L392-V394 VanDerWaalsContact C-N 3.35Å; V394-N398 WeakPolarHBondContact O-CB 3.12Å; V394-N398 PolarHBondContact O-N 3.35Å; V394-L416 HydrophobicContact CB-CD2 4.11Å; V394-L416 HydrophobicContact CG1-CB 4.13Å; V394-L416 HydrophobicContact CG1-CD1 4.16Å; V394-L416 HydrophobicContact CG1-CD2 4.03Å; V394-L416 HydrophobicContact CG1-CG 4.33Å; V394-L416 HydrophobicContact CG2-CB 3.93Å; V394-L416 HydrophobicContact CG2-CD2 3.79Å; V394-L416 HydrophobicContact CG2-CG 4.45Å; V394-L418 HydrophobicContact CG2-CD1 3.86Å
395R72.2Confident67.4Low170 Ų17070.3 Ų70.364%0.64234%0.336SS*.Hα-helixtrans-63.6-43175.5-76.8179-178.7-177.40.6112.5A391 L392 W393 N398 Q399A391-R395 WeakPolarHBondContact O-CG 3.27Å; A391-R395 PolarHBondContact O-N 2.8Å; A391-R395 VanDerWaalsContact O-N 3.13Å; L392-R395 PolarHBondContact O-N 2.86Å; W393-R395 VanDerWaalsContact C-N 3.32Å; W393-R395 PolarHBondContact O-N 3.38Å; R395-N398 PolarHBondContact O-N 3.16Å; R395-Q399 WeakPolarHBondContact O-CB 3.4Å; R395-Q399 WeakPolarHBondContact O-CG 3.38Å; R395-Q399 PolarHBondContact O-N 2.88Å
396W76.3Confident66.6Low27 Ų2773.8 Ų73.810%0.10235%0.352CS..Hα-helixtrans-58.5-51.9176.3163.864.4000111.8L392 W393 N398 Q399 T400 L454 N457 A459 I470L392-W396 PolarHBondContact O-N 2.76Å; W393-W396 PolarHBondContact O-N 2.77Å; W396-N398 VanDerWaalsContact C-N 3.28Å; W396-N398 PolarHBondContact O-N 3.33Å; W396-Q399 PolarHBondContact O-N 3.24Å; W396-Q399 VanDerWaalsContact O-N 3.13Å; W396-T400 PolarHBondContact NE1-OG1 2.88Å; W396-T400 PolarHBondContact O-N 3.2Å; W396-T400 PolarHBondContact O-OG1 3.46Å; W396-L454 HydrophobicContact CH2-CD2 3.51Å; W396-L454 HydrophobicContact CZ2-CD2 3.72Å; W396-L454 HydrophobicContact CZ3-CD2 4.23Å; W396-N457 VanDerWaalsContact CE2-O 3.25Å; W396-N457 VanDerWaalsContact CZ2-O 3.27Å; W396-N457 WeakPolarHBondContact CZ2-O 3.34Å; W396-N457 PolarHBondContact NE1-O 3.45Å; W396-A459 HydrophobicContact CD2-CB 3.51Å; W396-A459 HydrophobicContact CE3-CB 3.73Å; W396-A459 HydrophobicContact CG-CB 3.95Å; W396-A459 HydrophobicContact CH2-CB 4.16Å; W396-A459 HydrophobicContact CZ2-CB 3.98Å; W396-A459 HydrophobicContact CZ3-CB 4.06Å; W396-I470 HydrophobicContact CH2-CD1 4.47Å
397I73.6Confident65.5Low3 Ų379 Ų792%0.01539%0.388CS..Hα-helixtrans-59.7-42178.7-66.7175.1000110.7F375 W393 Q399 T400 F401 L416 V436 L438F375-I397 HydrophobicContact CE1-CD1 4.43Å; W393-I397 WeakPolarHBondContact O-CG1 3.37Å; W393-I397 PolarHBondContact O-N 3.13Å; I397-Q399 VanDerWaalsContact C-N 3.34Å; I397-Q399 PolarHBondContact O-N 3.06Å; I397-T400 PolarHBondContact O-N 3.11Å; I397-F401 HydrophobicContact CG2-CD2 4.06Å; I397-F401 HydrophobicContact CG2-CE2 4.45Å; I397-F401 WeakPolarHBondContact O-CD2 3.4Å; I397-F401 PolarHBondContact O-N 2.64Å; I397-F401 VanDerWaalsContact O-N 3.16Å; I397-L416 HydrophobicContact CB-CD2 4.36Å; I397-L416 HydrophobicContact CD1-CD2 4.19Å; I397-L416 HydrophobicContact CG2-CD2 4.35Å; I397-V436 HydrophobicContact CD1-CB 4.11Å; I397-V436 HydrophobicContact CD1-CG1 3.83Å; I397-V436 HydrophobicContact CD1-CG2 3.8Å; I397-L438 HydrophobicContact CG2-CD1 4.11Å
398N71Confident63.9Low90 Ų9079.8 Ų79.848%0.48140%0.396SS..Hα-helixtrans-65.2-36.7178.7-158.634.5000112.5V394 R395 W396 Q402V394-N398 WeakPolarHBondContact O-CB 3.12Å; V394-N398 PolarHBondContact O-N 3.35Å; R395-N398 PolarHBondContact O-N 3.16Å; W396-N398 VanDerWaalsContact C-N 3.28Å; W396-N398 PolarHBondContact O-N 3.33Å; N398-Q402 WeakPolarHBondContact O-CA 3.27Å; N398-Q402 WeakPolarHBondContact O-CB 3.46Å; N398-Q402 PolarHBondContact O-N 2.82Å; N398-Q402 VanDerWaalsContact O-N 3.13Å
399Q72.5Confident62.1Low135 Ų13576.8 Ų76.863%0.63140%0.395SS*.Hα-helixtrans-69.4-41.6174.2-75.8176.2-2600112.1R395 W396 I397 F401 Q402R395-Q399 WeakPolarHBondContact O-CB 3.4Å; R395-Q399 WeakPolarHBondContact O-CG 3.38Å; R395-Q399 PolarHBondContact O-N 2.88Å; W396-Q399 PolarHBondContact O-N 3.24Å; W396-Q399 VanDerWaalsContact O-N 3.13Å; I397-Q399 VanDerWaalsContact C-N 3.34Å; I397-Q399 PolarHBondContact O-N 3.06Å; Q399-F401 VanDerWaalsContact C-N 3.28Å; Q399-F401 PolarHBondContact O-N 2.78Å; Q399-Q402 PolarHBondContact O-N 3Å
400T73.7Confident60.5Low12 Ų1287 Ų877%0.07443%0.434CS..Hα-helixtrans-62.2-35-179.8-60.20000112.6W396 I397 Q453 L454 N457W396-T400 PolarHBondContact NE1-OG1 2.88Å; W396-T400 PolarHBondContact O-N 3.2Å; W396-T400 PolarHBondContact O-OG1 3.46Å; I397-T400 PolarHBondContact O-N 3.11Å; T400-Q453 HydrophobicContact CG2-CG 3.94Å; T400-Q453 PolarHBondContact O-NE2 2.87Å; T400-L454 HydrophobicContact CG2-CD2 4.41Å; T400-N457 HydrophobicContact CG2-CB 4.04Å
401F72.9Confident58.6Low2 Ų293.4 Ų93.41%0.00947%0.465CS..THydrogen-bonded Turntrans-108.111.8-177.2-67-73.6000114.5I397 Q399 N403 W404 T405 L438 V450 Q453 L454I397-F401 HydrophobicContact CG2-CD2 4.06Å; I397-F401 HydrophobicContact CG2-CE2 4.45Å; I397-F401 WeakPolarHBondContact O-CD2 3.4Å; I397-F401 PolarHBondContact O-N 2.64Å; I397-F401 VanDerWaalsContact O-N 3.16Å; Q399-F401 VanDerWaalsContact C-N 3.28Å; Q399-F401 PolarHBondContact O-N 2.78Å; F401-N403 PolarHBondContact O-N 3.35Å; F401-W404 AromaticContact CD1-CE3 3.85Å; F401-W404 HydrophobicContact CD1-CE3 3.85Å; F401-W404 HydrophobicContact CD1-CZ3 4.46Å; F401-W404 HydrophobicContact CE1-CE3 4.02Å; F401-W404 HydrophobicContact CE1-CZ3 4.21Å; F401-W404 PolarHBondContact O-N 2.69Å; F401-T405 HydrophobicContact CB-CG2 4.04Å; F401-T405 PolarHBondContact O-N 3.14Å; F401-T405 PolarHBondContact O-OG1 3.29Å; F401-L438 HydrophobicContact CD1-CD2 4.43Å; F401-L438 HydrophobicContact CD2-CD1 4.06Å; F401-L438 HydrophobicContact CD2-CD2 3.88Å; F401-L438 HydrophobicContact CE1-CD2 4.26Å; F401-L438 HydrophobicContact CE2-CD2 3.68Å; F401-L438 HydrophobicContact CG-CD1 4.39Å; F401-L438 HydrophobicContact CG-CD2 4.26Å; F401-L438 HydrophobicContact CZ-CD2 3.89Å; F401-V450 HydrophobicContact CE1-CG1 4.06Å; F401-V450 HydrophobicContact CZ-CG1 3.67Å; F401-Q453 HydrophobicContact CD1-CG 4.31Å; F401-Q453 HydrophobicContact CE1-CB 4.02Å; F401-Q453 HydrophobicContact CE1-CG 3.83Å; F401-Q453 HydrophobicContact CZ-CB 4.31Å; F401-Q453 HydrophobicContact CZ-CG 4.32Å; F401-L454 HydrophobicContact CE2-CD1 4.42Å; F401-L454 HydrophobicContact CE2-CD2 3.75Å; F401-L454 HydrophobicContact CE2-CG 3.91Å; F401-L454 HydrophobicContact CZ-CD1 4.34Å; F401-L454 HydrophobicContact CZ-CD2 4.22Å; F401-L454 HydrophobicContact CZ-CG 3.86Å
402Q67.3Low56.6Low134 Ų13496.3 Ų96.363%0.62648%0.482SS*.THydrogen-bonded Turntrans-55.6-26.5-173.6-165.7173.1-6.400114.6N398 Q399N398-Q402 WeakPolarHBondContact O-CA 3.27Å; N398-Q402 WeakPolarHBondContact O-CB 3.46Å; N398-Q402 PolarHBondContact O-N 2.82Å; N398-Q402 VanDerWaalsContact O-N 3.13Å; Q399-Q402 PolarHBondContact O-N 3Å
403N60.7Low54.7Low159 Ų15996 Ų9685%0.8550%0.498SS*.THydrogen-bonded Turntrans-88.2-14.8177.9-66.7-16.7000113.6F401F401-N403 PolarHBondContact O-N 3.35Å
404W57.6Low53.1Low78 Ų78105.3 Ų105.330%0.29553%0.533SS..THydrogen-bonded Turntrans-112.7-5.9-175.5-61.7-6.2000112.6F401 L445 Q453F401-W404 AromaticContact CD1-CE3 3.85Å; F401-W404 HydrophobicContact CD1-CE3 3.85Å; F401-W404 HydrophobicContact CD1-CZ3 4.46Å; F401-W404 HydrophobicContact CE1-CE3 4.02Å; F401-W404 HydrophobicContact CE1-CZ3 4.21Å; F401-W404 PolarHBondContact O-N 2.69Å; W404-L445 HydrophobicContact CD2-CD1 3.87Å; W404-L445 HydrophobicContact CE3-CD1 3.5Å; W404-L445 HydrophobicContact CE3-CD2 4.25Å; W404-L445 HydrophobicContact CG-CD1 4.45Å; W404-L445 HydrophobicContact CH2-CD1 4.4Å; W404-L445 HydrophobicContact CH2-CD2 3.71Å; W404-L445 HydrophobicContact CZ2-CD2 4.32Å; W404-L445 HydrophobicContact CZ3-CD1 3.8Å; W404-L445 HydrophobicContact CZ3-CD2 3.66Å; W404-L445 HydrophobicContact CZ3-CG 4.4Å; W404-Q453 HydrophobicContact CH2-CB 4.37Å; W404-Q453 HydrophobicContact CH2-CG 4.29Å; W404-Q453 HydrophobicContact CZ3-CB 4.2Å; W404-Q453 HydrophobicContact CZ3-CG 4.15Å
405T54.3Low51.8Low28 Ų28108 Ų10817%0.17255%0.553CS.*  trans-124.1119.7176.557.90000110F401 M439F401-T405 HydrophobicContact CB-CG2 4.04Å; F401-T405 PolarHBondContact O-N 3.14Å; F401-T405 PolarHBondContact O-OG1 3.29Å; T405-M439 VanDerWaalsContact CG2-O 3.27Å; T405-M439 WeakPolarHBondContact CG2-O 3.38Å
406H47.6Very low50.5Low165 Ų165101.7 Ų101.776%0.76453%0.532SS*.  trans-80.2122.3164.7-91.4-79.8000109.4L408H406-L408 PolarHBondContact O-N 3.47Å
407S41.2Very low49.1Very low111 Ų111103.4 Ų103.478%0.77654%0.541SS*.  trans-65.2112.5164.756.30000109.3
408L31.2Very low48.1Very low137 Ų137105.1 Ų105.172%0.71755%0.549SS*.  trans-102.3125.2161.6-94.5160.2000109.4L366 H406L366-L408 HydrophobicContact CD1-CD1 3.66Å; L366-L408 HydrophobicContact CD2-CD1 4.1Å; H406-L408 PolarHBondContact O-N 3.47Å
409D26.6Very low47.2Very low143 Ų143104.1 Ų104.177%0.76554%0.542SS*.  trans-67.3140.7-170.8-118.4-28.5000113.4I411D409-I411 PolarHBondContact O-N 2.73Å
410Y28.1Very low46.6Very low220 Ų22099.9 Ų99.986%0.86352%0.524SS*.  trans57.248.1130.9-121.2-89.8000121.4
411I26.7Very low45.7Very low164 Ų164103.4 Ų103.484%0.84154%0.542SS*.SBendtrans-134.9109.6149-56.5-178000109.1D409D409-I411 PolarHBondContact O-N 2.73Å
412S25.5Very low45.1Very low115 Ų115106.6 Ų106.680%0.80456%0.561SS**SBendtrans62.183.2180172.20000115.1R414S412-R414 PolarHBondContact O-N 2.93Å
413G30.5Very low44.5Very low71 Ų71107 Ų10773%0.73256%0.561SS**SBendtrans-48.6126.7176.800000114.9
414R37.8Very low44.1Very low204 Ų204110 Ų11077%0.7756%0.56SS**  trans157.678.5154.6-89.7167-173.6-165.42.2108.9S412S412-R414 PolarHBondContact O-N 2.93Å
415S41.3Very low43.8Very low99 Ų99112.5 Ų112.569%0.69258%0.577SS**SBendtrans-92.2-23.7166.755.50000112.8
416L43.5Very low43.8Very low38 Ų38118.2 Ų118.220%0.19961%0.606CS.*  trans-107.5104.9163.6-84.395.2000109.9V394 I397 V436V394-L416 HydrophobicContact CB-CD2 4.11Å; V394-L416 HydrophobicContact CG1-CB 4.13Å; V394-L416 HydrophobicContact CG1-CD1 4.16Å; V394-L416 HydrophobicContact CG1-CD2 4.03Å; V394-L416 HydrophobicContact CG1-CG 4.33Å; V394-L416 HydrophobicContact CG2-CB 3.93Å; V394-L416 HydrophobicContact CG2-CD2 3.79Å; V394-L416 HydrophobicContact CG2-CG 4.45Å; I397-L416 HydrophobicContact CB-CD2 4.36Å; I397-L416 HydrophobicContact CD1-CD2 4.19Å; I397-L416 HydrophobicContact CG2-CD2 4.35Å; L416-V436 HydrophobicContact CD2-CG1 3.36Å; L416-V436 HydrophobicContact CD2-CG2 4.4Å; L416-V436 HydrophobicContact CG-CG1 3.84Å
417K48.3Very low44.1Very low64 Ų64117.8 Ų117.828%0.27861%0.61SS.*  trans-89.9129158.4-107-173163.7-1690107.4P517 F520K417-P517 HydrophobicContact CD-CB 4.11Å; K417-P517 WeakPolarHBondContact CD-O 3.43Å; K417-P517 PolarHBondContact NZ-O 3.23Å; K417-F520 HydrophobicContact CB-CE1 3.86Å; K417-F520 HydrophobicContact CB-CZ 3.69Å; K417-F520 VanDerWaalsContact O-CZ 3.31Å; K417-F520 WeakPolarHBondContact O-CZ 3.17Å
418L52.1Low44.9Very low38 Ų38121.8 Ų121.820%0.19961%0.609CS.*EExtended strand (participates in β ladder)trans-115.1112.9179.7-142.1146.7000107.6T390 W393 V394 L420 C434 Q435 V436T390-L418 HydrophobicContact CG2-CD2 4Å; W393-L418 HydrophobicContact CB-CD1 4.35Å; W393-L418 HydrophobicContact CE3-CD1 4.34Å; W393-L418 HydrophobicContact CE3-CD2 4.07Å; W393-L418 HydrophobicContact CZ3-CD2 4.31Å; V394-L418 HydrophobicContact CG2-CD1 3.86Å; L418-L420 HydrophobicContact CD2-CG 4.41Å; L418-C434 HydrophobicContact CD2-CB 3.81Å; L418-Q435 WeakPolarHBondContact CA-O 3.2Å; L418-V436 HydrophobicContact CD1-CG2 4Å; L418-V436 HydrophobicContact CG-CG2 3.95Å
419Q52.9Low46.4Very low69 Ų69122 Ų12232%0.32260%0.6SS.*EExtended strand (participates in β ladder)trans-99.6126.1177.7-173.7169.1-1100109.5C434 Q435 E518Q419-C434 WeakPolarHBondContact O-CA 3.22Å; Q419-Q435 PolarHBondContact N-O 2.76Å; Q419-Q435 PolarHBondContact O-N 3.24Å; Q419-E518 PolarHBondContact OE1-O 2.84Å
420L57.9Low48.3Very low47 Ų47116.4 Ų116.425%0.24657%0.572CS.*EExtended strand (participates in β ladder)trans-107.4112.8-177.2-92.5153.1000109.7V386 T390 W393 L418 F432 T433V386-L420 HydrophobicContact CG1-CD1 4.35Å; V386-L420 HydrophobicContact CG1-CD2 3.82Å; T390-L420 HydrophobicContact CG2-CD1 3.48Å; T390-L420 VanDerWaalsContact CG2-CD1 3.48Å; W393-L420 HydrophobicContact CZ3-CD2 4.47Å; L418-L420 HydrophobicContact CD2-CG 4.41Å; L420-F432 HydrophobicContact CD2-CB 3.79Å; L420-F432 HydrophobicContact CD2-CD1 3.77Å; L420-F432 HydrophobicContact CD2-CG 4.13Å; L420-T433 WeakPolarHBondContact CA-O 3.47Å
421N55.8Low50.4Low85 Ų85108.4 Ų108.446%0.45554%0.543SS..EExtended strand (participates in β ladder)trans-104.9127.3169.8-76-33.6000109.8T433N421-T433 PolarHBondContact N-O 2.86Å; N421-T433 PolarHBondContact O-N 3.47Å
422V60.5Low52.5Low69 Ų69100.8 Ų100.842%0.41850%0.504SS..EExtended strand (participates in β ladder)trans-101.2125.7-174.7-175.70000110.2T430 F432V422-T430 HydrophobicContact CG1-CG2 3.52Å; V422-F432 HydrophobicContact CG1-CE1 4.38Å; V422-F432 HydrophobicContact CG2-CD1 4.01Å; V422-F432 HydrophobicContact CG2-CE1 3.92Å
423K53.7Low54.7Low144 Ų14497.4 Ų97.463%0.62648%0.479SS*.EExtended strand (participates in β ladder)trans-123.3110.7173.9-153174.2-176.3179.60109.4I431K423-I431 PolarHBondContact N-O 2.8Å; K423-I431 VanDerWaalsContact N-O 3.13Å; K423-I431 PolarHBondContact O-N 3.32Å
424R54Low56.7Low221 Ų22194 Ų9483%0.83444%0.444SS*.EExtended strand (participates in β ladder)trans-78.8125.4176.7-97.6-175.7-178.3175.61.5110.1
425M50.3Low58.4Low131 Ų13186.4 Ų86.465%0.64542%0.417SS*.EExtended strand (participates in β ladder)trans-114-20.4177.3-100.4-171.2172.700115.2I431M425-I431 HydrophobicContact SD-CD1 4.2Å
426N54.4Low60Low147 Ų14781.7 Ų81.779%0.78638%0.384SS*.EExtended strand (participates in β ladder)trans-178.8171166-97.1-28.6000111.3Y428 R429N426-Y428 PolarHBondContact O-N 3.06Å; N426-R429 PolarHBondContact O-N 3.06Å
427N54.5Low61.5Low156 Ų15681.3 Ų81.383%0.83438%0.382SS*.THydrogen-bonded Turntrans-54.7-1.1-168.4-93.3-1000118.7
428Y57.5Low62.8Low196 Ų19678.8 Ų78.877%0.76937%0.371SS*.THydrogen-bonded Turntrans-133-12.5-176.6-61.7-76.5000116.1N426N426-Y428 PolarHBondContact O-N 3.06Å
429R63Low63.8Low140 Ų14079.9 Ų79.953%0.52838%0.376SS..EExtended strand (participates in β ladder)trans-140.5135.8-178.9-65.6-166.3-176167.5-2113.1E378 E380 N426E378-R429 HydrophobicContact CG-CB 4.47Å; E378-R429 WeakPolarHBondContact OE1-CD 3.27Å; E378-R429 IonicContact OE1-CZ 2.73Å; E378-R429 IonicContact OE1-NE 3.76Å; E378-R429 IonicContact OE1-NH1 3.59Å; E378-R429 PolarHBondContact OE1-NH1 3.25Å; E380-R429 HydrophobicContact CG-CG 4.3Å; E380-R429 IonicContact OE1-NE 2.74Å; N426-R429 PolarHBondContact O-N 3.06Å
430T66.8Low64.6Low27 Ų2776.6 Ų76.617%0.16636%0.361CS..EExtended strand (participates in β ladder)trans-117.7131.7-179.7-50.80000110S379 V422 F432S379-T430 PolarHBondContact N-O 3.32Å; S379-T430 PolarHBondContact O-N 3.28Å; V422-T430 HydrophobicContact CG1-CG2 3.52Å; T430-F432 HydrophobicContact CG2-CD2 4.47Å; T430-F432 HydrophobicContact CG2-CE1 4.08Å; T430-F432 HydrophobicContact CG2-CE2 3.83Å; T430-F432 HydrophobicContact CG2-CZ 3.62Å
431I70.6Confident64.8Low52 Ų5277 Ų7727%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-97.5126.3174.4-59.9173000108.5T376 E378 K423 M425T376-I431 HydrophobicContact CG2-CG2 4.38Å; E378-I431 HydrophobicContact CG-CG1 4.43Å; K423-I431 PolarHBondContact N-O 2.8Å; K423-I431 VanDerWaalsContact N-O 3.13Å; K423-I431 PolarHBondContact O-N 3.32Å; M425-I431 HydrophobicContact SD-CD1 4.2Å
432F71.5Confident65.1Low4 Ų476.4 Ų76.42%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-106.1124.9176.7-62.2-84.4000109.1T376 V377 V386 L420 V422 T430T376-F432 CarbonylContact C-O 3.46Å; T376-F432 VanDerWaalsContact CA-O 3.31Å; T376-F432 WeakPolarHBondContact CA-O 3.47Å; V377-F432 PolarHBondContact N-O 3.41Å; V377-F432 PolarHBondContact O-N 2.79Å; V386-F432 HydrophobicContact CB-CD1 4.49Å; V386-F432 HydrophobicContact CB-CE1 4.18Å; V386-F432 HydrophobicContact CB-CZ 4.22Å; V386-F432 HydrophobicContact CG1-CD1 3.9Å; V386-F432 HydrophobicContact CG1-CD2 4.3Å; V386-F432 HydrophobicContact CG1-CE1 4.1Å; V386-F432 HydrophobicContact CG1-CE2 4.5Å; V386-F432 HydrophobicContact CG1-CG 4Å; V386-F432 HydrophobicContact CG1-CZ 4.39Å; V386-F432 HydrophobicContact CG2-CD2 4.22Å; V386-F432 HydrophobicContact CG2-CE1 4.08Å; V386-F432 HydrophobicContact CG2-CE2 3.7Å; V386-F432 HydrophobicContact CG2-CZ 3.61Å; L420-F432 HydrophobicContact CD2-CB 3.79Å; L420-F432 HydrophobicContact CD2-CD1 3.77Å; L420-F432 HydrophobicContact CD2-CG 4.13Å; V422-F432 HydrophobicContact CG1-CE1 4.38Å; V422-F432 HydrophobicContact CG2-CD1 4.01Å; V422-F432 HydrophobicContact CG2-CE1 3.92Å; T430-F432 HydrophobicContact CG2-CD2 4.47Å; T430-F432 HydrophobicContact CG2-CE1 4.08Å; T430-F432 HydrophobicContact CG2-CE2 3.83Å; T430-F432 HydrophobicContact CG2-CZ 3.62Å
433T71.1Confident64.9Low44 Ų4478.4 Ų78.427%0.2737%0.367SS..EExtended strand (participates in β ladder)trans-97.3124.9171.3-50.20000108.6T376 L420 N421T376-T433 HydrophobicContact CG2-CG2 4.39Å; L420-T433 WeakPolarHBondContact CA-O 3.47Å; N421-T433 PolarHBondContact N-O 2.86Å; N421-T433 PolarHBondContact O-N 3.47Å
434C72.9Confident65Low0 Ų076.1 Ų76.10%037%0.369CS..EExtended strand (participates in β ladder)trans-111138.5179.8-64.20000110.1S374 F375 W393 L418 Q419S374-C434 CarbonylContact C-O 3.58Å; S374-C434 VanDerWaalsContact CA-O 3.25Å; S374-C434 WeakPolarHBondContact CA-O 2.91Å; F375-C434 HydrophobicContact CD1-CB 4.16Å; F375-C434 HydrophobicContact CD2-CB 4.09Å; F375-C434 HydrophobicContact CE1-CB 3.74Å; F375-C434 HydrophobicContact CE2-CB 3.66Å; F375-C434 HydrophobicContact CG-CB 4.32Å; F375-C434 HydrophobicContact CZ-CB 3.47Å; F375-C434 VanDerWaalsContact CZ-CB 3.47Å; F375-C434 PolarHBondContact N-O 3.32Å; F375-C434 PolarHBondContact O-N 2.99Å; W393-C434 WeakPolarHBondContact CZ3-SG 3.46Å; L418-C434 HydrophobicContact CD2-CB 3.81Å; Q419-C434 WeakPolarHBondContact O-CA 3.22Å
435Q73.9Confident65.5Low43 Ų4366.6 Ų66.620%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-124.8136.9170.8-67.4-176.2-17.500110.1V373 L418 Q419 F520V373-Q435 CarbonylContact O-C 3.56Å; V373-Q435 WeakPolarHBondContact O-CA 3.49Å; L418-Q435 WeakPolarHBondContact CA-O 3.2Å; Q419-Q435 PolarHBondContact N-O 2.76Å; Q419-Q435 PolarHBondContact O-N 3.24Å; Q435-F520 HydrophobicContact CB-CD2 4.05Å; Q435-F520 HydrophobicContact CB-CE2 3.79Å
436V74.6Confident66.3Low0 Ų061.7 Ų61.70%032%0.318CS..EExtended strand (participates in β ladder)trans-133.3138.4-176.8174.60000110R372 V373 F375 I397 L416 L418R372-V436 WeakPolarHBondContact CA-O 3.49Å; V373-V436 HydrophobicContact CB-CB 4.49Å; V373-V436 PolarHBondContact N-O 3.18Å; V373-V436 PolarHBondContact O-N 2.79Å; F375-V436 HydrophobicContact CE1-CG2 4.08Å; I397-V436 HydrophobicContact CD1-CB 4.11Å; I397-V436 HydrophobicContact CD1-CG1 3.83Å; I397-V436 HydrophobicContact CD1-CG2 3.8Å; L416-V436 HydrophobicContact CD2-CG1 3.36Å; L416-V436 HydrophobicContact CD2-CG2 4.4Å; L416-V436 HydrophobicContact CG-CG1 3.84Å; L418-V436 HydrophobicContact CD1-CG2 4Å; L418-V436 HydrophobicContact CG-CG2 3.95Å
437L75.6Confident67.4Low31 Ų3158.8 Ų58.816%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-91.8125.5168-178.166.9000109.6F370 I475 I515 F520F370-L437 HydrophobicContact CB-CD1 4.37Å; F370-L437 HydrophobicContact CD1-CD1 4.37Å; L437-I475 HydrophobicContact CD1-CD1 3.28Å; L437-I475 HydrophobicContact CD1-CG1 4.49Å; L437-I515 HydrophobicContact CD1-CG2 4.49Å; L437-I515 HydrophobicContact CD2-CD1 4.48Å; L437-I515 HydrophobicContact CD2-CG2 4.36Å; L437-F520 HydrophobicContact CB-CD1 4.09Å; L437-F520 HydrophobicContact CB-CE1 4.09Å
438L75.1Confident68.3Low10 Ų1054.3 Ų54.35%0.05229%0.285CS..EExtended strand (participates in β ladder)trans-118.7138176.6-178.769.7000108.9F370 Y371 V373 I397 F401 I440 V450F370-L438 CarbonylContact C-O 3.55Å; F370-L438 WeakPolarHBondContact CA-O 3.26Å; Y371-L438 PolarHBondContact N-O 3.07Å; Y371-L438 PolarHBondContact O-N 3.3Å; V373-L438 HydrophobicContact CG2-CB 4.46Å; I397-L438 HydrophobicContact CG2-CD1 4.11Å; F401-L438 HydrophobicContact CD1-CD2 4.43Å; F401-L438 HydrophobicContact CD2-CD1 4.06Å; F401-L438 HydrophobicContact CD2-CD2 3.88Å; F401-L438 HydrophobicContact CE1-CD2 4.26Å; F401-L438 HydrophobicContact CE2-CD2 3.68Å; F401-L438 HydrophobicContact CG-CD1 4.39Å; F401-L438 HydrophobicContact CG-CD2 4.26Å; F401-L438 HydrophobicContact CZ-CD2 3.89Å; L438-I440 HydrophobicContact CD2-CD1 3.81Å; L438-I440 HydrophobicContact CD2-CG1 4.01Å; L438-I440 HydrophobicContact CG-CD1 4.37Å; L438-I440 HydrophobicContact CG-CG1 4.01Å; L438-V450 HydrophobicContact CD2-CG1 4.05Å
439M73Confident69.2Low61 Ų6148.4 Ų48.430%0.327%0.266SS..EExtended strand (participates in β ladder)trans-118125.5175.7-177-163.6-129.900107.8L369 F370 T405L369-M439 CarbonylContact O-C 3.53Å; L369-M439 WeakPolarHBondContact O-CA 3.49Å; F370-M439 HydrophobicContact CD1-CB 4.11Å; F370-M439 HydrophobicContact CD1-CG 4.12Å; F370-M439 HydrophobicContact CE1-CB 4.11Å; F370-M439 HydrophobicContact CE1-CE 3.45Å; F370-M439 VanDerWaalsContact CE1-CE 3.45Å; F370-M439 HydrophobicContact CE1-CG 3.78Å; F370-M439 HydrophobicContact CE1-SD 4.21Å; F370-M439 HydrophobicContact CE2-CE 4.29Å; F370-M439 HydrophobicContact CZ-CE 3.25Å; F370-M439 HydrophobicContact CZ-CG 4.25Å; T405-M439 VanDerWaalsContact CG2-O 3.27Å; T405-M439 WeakPolarHBondContact CG2-O 3.38Å
440I69.9Low69.7Low0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-122.8127.9-178.9-58.1-178.8000108.1G368 L369 Y371 L438 N442 L445 V450G368-I440 CarbonylContact C-O 3.57Å; G368-I440 VanDerWaalsContact CA-O 3.26Å; G368-I440 WeakPolarHBondContact CA-O 3.24Å; L369-I440 PolarHBondContact N-O 3.4Å; L369-I440 PolarHBondContact O-N 3.47Å; Y371-I440 HydrophobicContact CD2-CB 4.42Å; Y371-I440 HydrophobicContact CD2-CD1 3.75Å; Y371-I440 HydrophobicContact CD2-CG1 4.01Å; Y371-I440 HydrophobicContact CE2-CB 4.15Å; Y371-I440 HydrophobicContact CE2-CD1 3.74Å; Y371-I440 HydrophobicContact CE2-CG1 4.13Å; L438-I440 HydrophobicContact CD2-CD1 3.81Å; L438-I440 HydrophobicContact CD2-CG1 4.01Å; L438-I440 HydrophobicContact CG-CD1 4.37Å; L438-I440 HydrophobicContact CG-CG1 4.01Å; I440-N442 HydrophobicContact CG2-CB 4.34Å; I440-L445 HydrophobicContact CG2-CD1 3.87Å; I440-V450 HydrophobicContact CD1-CG1 4.38Å; I440-V450 HydrophobicContact CD1-CG2 3.58Å
441T62.8Low70.4Confident55 Ų5543 Ų4334%0.33725%0.246SC..  trans-86.7-9.8-17651.40000113.8L366L366-T441 HydrophobicContact CD2-CG2 4.17Å
442N62.2Low70.8Confident73 Ų7344.7 Ų44.739%0.3926%0.256SS..  trans-88.6110.5176.3-174.43.1000110.4I440 S444 L445I440-N442 HydrophobicContact CG2-CB 4.34Å; N442-S444 PolarHBondContact O-N 3.24Å; N442-S444 PolarHBondContact OD1-N 3.25Å; N442-S444 PolarHBondContact OD1-OG 3.26Å; N442-S444 VanDerWaalsContact OD1-OG 3.11Å; N442-L445 HydrophobicContact CB-CD1 3.98Å
443E56.5Low71.1Confident111 Ų11147 Ų4752%0.51927%0.267SS..THydrogen-bonded Turntrans-70.4-9.8-176.3-65.1-162.3133.900114.3K492E443-K492 IonicContact OE1-NZ 2.8Å; E443-K492 PolarHBondContact OE1-NZ 2.99Å
444S55.4Low71.3Confident97 Ų9744.9 Ų44.968%0.67825%0.254SS*.THydrogen-bonded Turntrans-89.9-4.7-176.277.60000115.2N442N442-S444 PolarHBondContact O-N 3.24Å; N442-S444 PolarHBondContact OD1-N 3.25Å; N442-S444 PolarHBondContact OD1-OG 3.26Å; N442-S444 VanDerWaalsContact OD1-OG 3.11Å
445L63.8Low71.6Confident20 Ų2049 Ų4911%0.10528%0.276CS..  trans-90.8127.4-175.8-76.8160.3000110.4Y371 W404 I440 N442 D449Y371-L445 PolarHBondContact OH-O 2.95Å; W404-L445 HydrophobicContact CD2-CD1 3.87Å; W404-L445 HydrophobicContact CE3-CD1 3.5Å; W404-L445 HydrophobicContact CE3-CD2 4.25Å; W404-L445 HydrophobicContact CG-CD1 4.45Å; W404-L445 HydrophobicContact CH2-CD1 4.4Å; W404-L445 HydrophobicContact CH2-CD2 3.71Å; W404-L445 HydrophobicContact CZ2-CD2 4.32Å; W404-L445 HydrophobicContact CZ3-CD1 3.8Å; W404-L445 HydrophobicContact CZ3-CD2 3.66Å; W404-L445 HydrophobicContact CZ3-CG 4.4Å; I440-L445 HydrophobicContact CG2-CD1 3.87Å; N442-L445 HydrophobicContact CB-CD1 3.98Å; L445-D449 HydrophobicContact CD2-CB 3.6Å
446G66.8Low71.8Confident29 Ų2952.7 Ų52.730%0.29930%0.297SS..  trans-92174.2174.400000113.4A448 D449 V450G446-A448 PolarHBondContact O-N 3.27Å; G446-D449 PolarHBondContact N-OD2 3.48Å; G446-D449 PolarHBondContact O-N 3.05Å; G446-V450 PolarHBondContact O-N 3.24Å
447E78.1Confident71.6Confident86 Ų8656.3 Ų56.340%0.40232%0.316SS..Hα-helixtrans-57.2-35.7178.7-63.1-175.5161.400113.1Y371 L451 R473 Q474Y371-E447 HydrophobicContact CE1-CG 4.25Å; E447-L451 WeakPolarHBondContact O-CB 3.32Å; E447-L451 PolarHBondContact O-N 2.85Å; E447-R473 WeakPolarHBondContact OE1-CA 3.19Å; E447-Q474 HydrophobicContact CG-CB 4.25Å; E447-Q474 PolarHBondContact OE1-N 3.46Å
448A74.3Confident71.2Confident62 Ų6258.2 Ų58.251%0.51233%0.331SS..Hα-helixtrans-66.6-40.4179.700000112.3G446 V450 L451 D452G446-A448 PolarHBondContact O-N 3.27Å; A448-V450 VanDerWaalsContact C-N 3.33Å; A448-V450 PolarHBondContact O-N 3.39Å; A448-L451 PolarHBondContact O-N 3.14Å; A448-D452 WeakPolarHBondContact O-CB 3.4Å; A448-D452 PolarHBondContact O-N 3.18Å
449D75.3Confident70.6Confident71 Ų7158.2 Ų58.238%0.3833%0.332SS..Hα-helixtrans-66.3-38.8-179.8-54.1-52.6000111.3L445 G446 Q453L445-D449 HydrophobicContact CD2-CB 3.6Å; G446-D449 PolarHBondContact N-OD2 3.48Å; G446-D449 PolarHBondContact O-N 3.05Å; D449-Q453 WeakPolarHBondContact O-CB 3.29Å; D449-Q453 PolarHBondContact O-N 3.07Å
450V73.8Confident69.8Low0 Ų058.5 Ų58.50%035%0.351CS..Hα-helixtrans-67.8-38.9175.9-179.20000111Y371 F401 L438 I440 G446 A448 L454 V472Y371-V450 HydrophobicContact CE1-CG2 4.37Å; Y371-V450 HydrophobicContact CE2-CG2 4.37Å; F401-V450 HydrophobicContact CE1-CG1 4.06Å; F401-V450 HydrophobicContact CZ-CG1 3.67Å; L438-V450 HydrophobicContact CD2-CG1 4.05Å; I440-V450 HydrophobicContact CD1-CG1 4.38Å; I440-V450 HydrophobicContact CD1-CG2 3.58Å; G446-V450 PolarHBondContact O-N 3.24Å; A448-V450 VanDerWaalsContact C-N 3.33Å; A448-V450 PolarHBondContact O-N 3.39Å; V450-L454 HydrophobicContact CG1-CD1 4.46Å; V450-L454 WeakPolarHBondContact O-CG 3.32Å; V450-L454 PolarHBondContact O-N 3.12Å; V450-V472 HydrophobicContact CB-CG1 4.06Å; V450-V472 HydrophobicContact CG1-CG1 3.8Å; V450-V472 HydrophobicContact CG1-CG2 4.2Å
451L80.9Confident68.9Low53 Ų5361.4 Ų61.428%0.27737%0.368SS..Hα-helixtrans-66.7-43.6176.3-177.964.2000111.8E447 A448 Q453 L454 N455 I470 V472E447-L451 WeakPolarHBondContact O-CB 3.32Å; E447-L451 PolarHBondContact O-N 2.85Å; A448-L451 PolarHBondContact O-N 3.14Å; L451-Q453 VanDerWaalsContact C-N 3.33Å; L451-Q453 PolarHBondContact O-N 3.47Å; L451-L454 PolarHBondContact O-N 2.98Å; L451-N455 PolarHBondContact O-N 3.32Å; L451-N455 PolarHBondContact O-ND2 3.46Å; L451-I470 HydrophobicContact CD1-CB 4.15Å; L451-I470 HydrophobicContact CD1-CG2 3.85Å; L451-V472 HydrophobicContact CB-CG2 4.15Å; L451-V472 HydrophobicContact CD1-CG2 4.12Å
452D79.6Confident68.3Low88 Ų8865 Ų6547%0.47140%0.396SS..Hα-helixtrans-62.5-40.9177.6-76.5-13.9000111.4A448 L454 N455 N456A448-D452 WeakPolarHBondContact O-CB 3.4Å; A448-D452 PolarHBondContact O-N 3.18Å; D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 2.85Å; D452-N455 PolarHBondContact O-N 2.96Å; D452-N456 WeakPolarHBondContact O-CB 3.45Å; D452-N456 PolarHBondContact O-N 3.03Å; D452-N456 PolarHBondContact O-ND2 3.4Å; D452-N456 VanDerWaalsContact O-ND2 3.16Å
453Q77.6Confident67.8Low52 Ų5267.3 Ų67.324%0.24341%0.408CS..Hα-helixtrans-63.1-37.3176.7-168.365.7500112.8T400 F401 W404 D449 L451 N457T400-Q453 HydrophobicContact CG2-CG 3.94Å; T400-Q453 PolarHBondContact O-NE2 2.87Å; F401-Q453 HydrophobicContact CD1-CG 4.31Å; F401-Q453 HydrophobicContact CE1-CB 4.02Å; F401-Q453 HydrophobicContact CE1-CG 3.83Å; F401-Q453 HydrophobicContact CZ-CB 4.31Å; F401-Q453 HydrophobicContact CZ-CG 4.32Å; W404-Q453 HydrophobicContact CH2-CB 4.37Å; W404-Q453 HydrophobicContact CH2-CG 4.29Å; W404-Q453 HydrophobicContact CZ3-CB 4.2Å; W404-Q453 HydrophobicContact CZ3-CG 4.15Å; D449-Q453 WeakPolarHBondContact O-CB 3.29Å; D449-Q453 PolarHBondContact O-N 3.07Å; L451-Q453 VanDerWaalsContact C-N 3.33Å; L451-Q453 PolarHBondContact O-N 3.47Å; Q453-N457 PolarHBondContact O-N 3.45Å
454L75.8Confident67.8Low1 Ų162.4 Ų62.41%0.00539%0.385CS..Hα-helixtrans-71.8-35.9175.5-76.2166.2000112.8V373 W396 T400 F401 V450 L451 D452 N457 I470 V472V373-L454 HydrophobicContact CG1-CD1 3.79Å; V373-L454 HydrophobicContact CG2-CD1 4.33Å; W396-L454 HydrophobicContact CH2-CD2 3.51Å; W396-L454 HydrophobicContact CZ2-CD2 3.72Å; W396-L454 HydrophobicContact CZ3-CD2 4.23Å; T400-L454 HydrophobicContact CG2-CD2 4.41Å; F401-L454 HydrophobicContact CE2-CD1 4.42Å; F401-L454 HydrophobicContact CE2-CD2 3.75Å; F401-L454 HydrophobicContact CE2-CG 3.91Å; F401-L454 HydrophobicContact CZ-CD1 4.34Å; F401-L454 HydrophobicContact CZ-CD2 4.22Å; F401-L454 HydrophobicContact CZ-CG 3.86Å; V450-L454 HydrophobicContact CG1-CD1 4.46Å; V450-L454 WeakPolarHBondContact O-CG 3.32Å; V450-L454 PolarHBondContact O-N 3.12Å; L451-L454 PolarHBondContact O-N 2.98Å; D452-L454 VanDerWaalsContact C-N 3.33Å; D452-L454 PolarHBondContact O-N 2.85Å; L454-N457 CarbonylContact O-C 3.49Å; L454-I470 HydrophobicContact CB-CD1 4.3Å; L454-I470 HydrophobicContact CB-CG2 4.39Å; L454-I470 HydrophobicContact CD1-CG2 3.93Å; L454-V472 HydrophobicContact CD1-CG2 3.84Å
455N78.4Confident68Low87 Ų8759.7 Ų59.747%0.46537%0.372SS..Hα-helixtrans-71.2-35.9177.2-75.2-31.1000112.3L451 D452 N457L451-N455 PolarHBondContact O-N 3.32Å; L451-N455 PolarHBondContact O-ND2 3.46Å; D452-N455 PolarHBondContact O-N 2.96Å; N455-N457 VanDerWaalsContact C-N 3.31Å; N455-N457 PolarHBondContact O-N 3.32Å
456N77.7Confident68.2Low120 Ų12065 Ų6564%0.64240%0.396SS*.Hα-helixtrans-72.6-22.5179-71.9-27.7000113.3D452 P458D452-N456 WeakPolarHBondContact O-CB 3.45Å; D452-N456 PolarHBondContact O-N 3.03Å; D452-N456 PolarHBondContact O-ND2 3.4Å; D452-N456 VanDerWaalsContact O-ND2 3.16Å; N456-P458 WeakPolarHBondContact O-CD 3.34Å
457N71.8Confident68.3Low75 Ų7564.3 Ų64.340%0.40139%0.388SS..SBendtrans-120.174.8174.4-77.5-57000110.6W396 T400 Q453 L454 N455W396-N457 VanDerWaalsContact CE2-O 3.25Å; W396-N457 VanDerWaalsContact CZ2-O 3.27Å; W396-N457 WeakPolarHBondContact CZ2-O 3.34Å; W396-N457 PolarHBondContact NE1-O 3.45Å; T400-N457 HydrophobicContact CG2-CB 4.04Å; Q453-N457 PolarHBondContact O-N 3.45Å; L454-N457 CarbonylContact O-C 3.49Å; N455-N457 VanDerWaalsContact C-N 3.31Å; N455-N457 PolarHBondContact O-N 3.32Å
458P65.5Low67.8Low71 Ų7162.5 Ų62.546%0.46139%0.388SS..  trans-67.8137.5-176.325.3-32.5000112.8N456 G460N456-P458 WeakPolarHBondContact O-CD 3.34Å; P458-G460 PolarHBondContact O-N 3.3Å
459A63.2Low67.9Low10 Ų1065.8 Ų65.88%0.08340%0.397CS..  trans-68101.6173.100000110.8W396 A467W396-A459 HydrophobicContact CD2-CB 3.51Å; W396-A459 HydrophobicContact CE3-CB 3.73Å; W396-A459 HydrophobicContact CG-CB 3.95Å; W396-A459 HydrophobicContact CH2-CB 4.16Å; W396-A459 HydrophobicContact CZ2-CB 3.98Å; W396-A459 HydrophobicContact CZ3-CB 4.06Å; A459-A467 HydrophobicContact CB-CB 4.14Å
460G55.4Low68.2Low67 Ų6763.9 Ų63.969%0.69139%0.386SS*.  trans-114.8113.6173.700000111.8P458P458-G460 PolarHBondContact O-N 3.3Å
461T52.6Low68.6Low61 Ų6167.1 Ų67.137%0.37440%0.403SS..  trans-129.9140.6159.8490000109.8L463 L464T461-L463 PolarHBondContact O-N 2.95Å; T461-L464 PolarHBondContact O-N 3.15Å
462S50.1Low68.6Low130 Ų13065 Ų6591%0.90939%0.392SS*.THydrogen-bonded Turntrans-60.8-7.3-172.249.90000115.7
463L50.6Low68.6Low123 Ų12367 Ų6764%0.64439%0.393SS*.THydrogen-bonded Turntrans-111.4-16.8-176.1-106.2105.5000115.7L381 T461L381-L463 HydrophobicContact CD1-CD2 4.48Å; L381-L463 WeakPolarHBondContact CD1-O 3.39Å; T461-L463 PolarHBondContact O-N 2.95Å
464L57.6Low68.9Low8 Ų868.3 Ų68.34%0.04240%0.399CS..THydrogen-bonded Turntrans-125.21-163.7-81.1133000116.4V377 L381 V386 A389 L392 W393 T461V377-L464 WeakPolarHBondContact CG1-O 3.47Å; L381-L464 HydrophobicContact CD1-CD2 3.78Å; L381-L464 HydrophobicContact CD1-CG 3.81Å; V386-L464 HydrophobicContact CG2-CD2 4.19Å; A389-L464 HydrophobicContact CB-CD1 3.31Å; A389-L464 HydrophobicContact CB-CD2 3.46Å; A389-L464 VanDerWaalsContact CB-CD2 3.46Å; A389-L464 HydrophobicContact CB-CG 3.99Å; L392-L464 HydrophobicContact CD1-CD1 4.46Å; W393-L464 HydrophobicContact CZ2-CD2 4.07Å; T461-L464 PolarHBondContact O-N 3.15Å
465G59.8Low69.1Low39 Ų3968.8 Ų68.840%0.40240%0.402SS..  trans76.3160.5-174.900000112.8
466Q66.9Low69.2Low132 Ų13271.8 Ų71.862%0.61741%0.413SS*.  trans-80.4143.1-179-169.41721.200110.5A468Q466-A468 PolarHBondContact O-N 2.72Å
467A68.6Low69.4Low15 Ų1568.6 Ų68.612%0.12440%0.396CS..  trans-62.8125.5171.800000110.3F375 A459F375-A467 HydrophobicContact CD2-CB 3.92Å; A459-A467 HydrophobicContact CB-CB 4.14Å
468A68.5Low69.8Low48 Ų4865 Ų6540%0.39738%0.377SS..EExtended strand (participates in β ladder)trans-126.2155.7-179.300000110.8T376 Q466T376-A468 WeakPolarHBondContact CA-O 3.32Å; T376-A468 PolarHBondContact N-O 3.46Å; T376-A468 PolarHBondContact O-N 3.32Å; T376-A468 VanDerWaalsContact O-O 3.12Å; T376-A468 PolarHBondContact OG1-O 3.13Å; Q466-A468 PolarHBondContact O-N 2.72Å
469N76.9Confident70.5Confident131 Ų13165.8 Ų65.870%0.70138%0.382SS*.EExtended strand (participates in β ladder)trans55.352.1-177.7-55.4-43.4000113.4T376 N471T376-N469 PolarHBondContact OG1-ND2 2.91Å; N469-N471 PolarHBondContact O-N 3.33Å
470I80.9Confident71Confident31 Ų3170.7 Ų70.716%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-69.9127.4174.1-53.9175.9000108.6V373 S374 F375 W396 L451 L454 V472V373-I470 HydrophobicContact CG1-CG2 4.16Å; S374-I470 CarbonylContact O-C 3.59Å; S374-I470 WeakPolarHBondContact O-CA 3.41Å; F375-I470 HydrophobicContact CB-CG1 4.02Å; W396-I470 HydrophobicContact CH2-CD1 4.47Å; L451-I470 HydrophobicContact CD1-CB 4.15Å; L451-I470 HydrophobicContact CD1-CG2 3.85Å; L454-I470 HydrophobicContact CB-CD1 4.3Å; L454-I470 HydrophobicContact CB-CG2 4.39Å; L454-I470 HydrophobicContact CD1-CG2 3.93Å; I470-V472 HydrophobicContact CG2-CG2 4.43Å
471N82Confident71.7Confident68 Ų6869 Ų6936%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-132.8125.1176.2167.154.2000108.3V373 S374 N469V373-N471 CarbonylContact C-O 3.37Å; V373-N471 WeakPolarHBondContact CA-O 3.44Å; S374-N471 PolarHBondContact N-O 3.34Å; S374-N471 PolarHBondContact O-N 3.03Å; S374-N471 WeakPolarHBondContact OG-CB 3.41Å; S374-N471 PolarHBondContact OG-ND2 2.91Å; S374-N471 PolarHBondContact OG-O 3.08Å; N469-N471 PolarHBondContact O-N 3.33Å
472V81.5Confident71.9Confident8 Ų871.9 Ų71.95%0.04839%0.392CS..EExtended strand (participates in β ladder)trans-110.7133.1180-178.80000107.5Y371 V373 V450 L451 L454 I470Y371-V472 HydrophobicContact CD1-CG1 3.89Å; Y371-V472 HydrophobicContact CG-CG1 4.43Å; V373-V472 HydrophobicContact CG1-CG2 4.35Å; V373-V472 HydrophobicContact CG2-CG1 4.45Å; V373-V472 HydrophobicContact CG2-CG2 4.24Å; V450-V472 HydrophobicContact CB-CG1 4.06Å; V450-V472 HydrophobicContact CG1-CG1 3.8Å; V450-V472 HydrophobicContact CG1-CG2 4.2Å; L451-V472 HydrophobicContact CB-CG2 4.15Å; L451-V472 HydrophobicContact CD1-CG2 4.12Å; L454-V472 HydrophobicContact CD1-CG2 3.84Å; I470-V472 HydrophobicContact CG2-CG2 4.43Å
473R80.1Confident71.8Confident129 Ų12970.7 Ų70.749%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-135.3136.6170.5-69-166.1179.7-169.9-0110.5Y371 R372 E447Y371-R473 CarbonylContact C-O 3.44Å; Y371-R473 WeakPolarHBondContact CA-O 3.42Å; R372-R473 PolarHBondContact N-O 3.24Å; R372-R473 PolarHBondContact O-N 2.87Å; E447-R473 WeakPolarHBondContact OE1-CA 3.19Å
474Q82.1Confident71.7Confident80 Ų8070.6 Ų70.637%0.37437%0.374SS..EExtended strand (participates in β ladder)trans-67.6142.2168.4-169.8176.1-16.900109.4Y371 E447 E476Y371-Q474 HydrophobicContact CD1-CB 4.07Å; Y371-Q474 HydrophobicContact CE1-CB 3.86Å; Y371-Q474 HydrophobicContact CE1-CG 4.13Å; E447-Q474 HydrophobicContact CG-CB 4.25Å; E447-Q474 PolarHBondContact OE1-N 3.46Å; Q474-E476 PolarHBondContact O-N 3.26Å
475I80.8Confident71.4Confident11 Ų1174.4 Ų74.46%0.05639%0.392CS..PPolyproline II helixtrans-74.9125.4174.7-64.3-170.3000108.5F370 R372 L437 P493 I515 F520F370-I475 HydrophobicContact CB-CB 4.07Å; F370-I475 HydrophobicContact CB-CD1 3.91Å; F370-I475 HydrophobicContact CB-CG1 4.1Å; F370-I475 PolarHBondContact O-N 2.76Å; R372-I475 HydrophobicContact CB-CG1 4.44Å; L437-I475 HydrophobicContact CD1-CD1 3.28Å; L437-I475 HydrophobicContact CD1-CG1 4.49Å; I475-P493 HydrophobicContact CG2-CG 3.87Å; I475-I515 HydrophobicContact CD1-CD1 4.3Å; I475-I515 HydrophobicContact CD1-CG2 4.04Å; I475-F520 WeakPolarHBondContact CD1-O 3.01Å
476E81.3Confident71.4Confident150 Ų15073.6 Ų73.670%0.70138%0.377SS*.PPolyproline II helixtrans-61.6151.5177.3-65.7166-162.600111.2Q474 S522Q474-E476 PolarHBondContact O-N 3.26Å; E476-S522 WeakPolarHBondContact O-CB 3.42Å; E476-S522 PolarHBondContact O-OG 3.35Å
477N80.9Confident71.1Confident53 Ų5369.8 Ų69.828%0.28336%0.361SS..PPolyproline II helixtrans-67.5158.5172.8-65.4-25000110.8E490 S522N477-E490 HydrophobicContact CB-CG 3.6Å; N477-E490 VanDerWaalsContact CB-OE1 3.31Å; N477-E490 WeakPolarHBondContact CB-OE1 3.49Å; N477-E490 PolarHBondContact ND2-OE1 3.48Å; N477-S522 PolarHBondContact O-OG 3.14Å
478C80.9Confident71.4Confident0 Ų069.2 Ų69.20%036%0.355CS..BIsolated β-bridgetrans-66.2126.7167-730000108.5E490 T491 C513 V523 W524C478-E490 WeakPolarHBondContact O-CA 3.02Å; C478-T491 PolarHBondContact N-O 3.05Å; C478-T491 PolarHBondContact O-N 3.3Å; C478-T491 VanDerWaalsContact O-N 3.11Å; C478-C513 HydrophobicContact CB-CB 3.76Å; C478-C513 WeakPolarHBondContact CB-SG 3.41Å; C478-C513 WeakPolarHBondContact SG-CA 3.36Å; C478-C513 WeakPolarHBondContact SG-CB 3.5Å; C478-C513 CovalentContact SG-SG 2.03Å; C478-C513 PolarHBondContact SG-SG 2.94Å; C478-V523 VanDerWaalsContact SG-C 3.59Å; C478-W524 HydrophobicContact CB-CD2 3.84Å; C478-W524 HydrophobicContact CB-CE3 4.47Å; C478-W524 HydrophobicContact CB-CG 4.15Å; C478-W524 HydrophobicContact CB-CZ2 3.91Å
479P79.6Confident71.3Confident87 Ų8767.8 Ų67.857%0.56534%0.342SS*.PPolyproline II helixtrans-67.7160.1-176.628.8-35.5000111.4D481 W524P479-D481 PolarHBondContact O-N 3.15Å; P479-W524 PolarHBondContact O-NE1 3.27Å
480E74.8Confident71.2Confident113 Ų11367.7 Ų67.753%0.52834%0.337SS..PPolyproline II helixtrans-56.5129.1171-168.3177.5-178.200110.1L487 W488E480-L487 HydrophobicContact CG-CD1 4.32Å; E480-L487 WeakPolarHBondContact OE1-CD1 3.35Å; E480-W488 VanDerWaalsContact CA-O 3.27Å; E480-W488 WeakPolarHBondContact CA-O 3.34Å; E480-W488 WeakPolarHBondContact CG-O 3.47Å
481D69.7Low70.9Confident33 Ų3366.5 Ų66.518%0.17633%0.332CS..BIsolated β-bridgetrans-127.3125.8-176.1-173.412000110.3P479 N483 W488 R511P479-D481 PolarHBondContact O-N 3.15Å; D481-N483 WeakPolarHBondContact OD1-CB 3.49Å; D481-N483 PolarHBondContact OD1-N 3.03Å; D481-N483 VanDerWaalsContact OD1-N 3.16Å; D481-W488 PolarHBondContact N-O 2.98Å; D481-W488 PolarHBondContact O-N 2.82Å; D481-R511 IonicContact OD2-CZ 3.95Å; D481-R511 VanDerWaalsContact OD2-CZ 3.25Å; D481-R511 IonicContact OD2-NH1 3.47Å; D481-R511 PolarHBondContact OD2-NH1 2.96Å; D481-R511 IonicContact OD2-NH2 3.88Å; D481-R511 PolarHBondContact OD2-NH2 3.26Å
482N56.9Low70.6Confident121 Ų12168 Ų6865%0.64734%0.335SS*.  trans-10518.3-177.1-163.922.2000112.8L487N482-L487 HydrophobicContact CB-CD1 4.17Å
483N46.5Very low70.4Confident105 Ų10568.2 Ų68.256%0.56134%0.336SS*.G310 helixtrans-77.4133.2176.4-111.1-29.8000111.8D481D481-N483 WeakPolarHBondContact OD1-CB 3.49Å; D481-N483 PolarHBondContact OD1-N 3.03Å; D481-N483 VanDerWaalsContact OD1-N 3.16Å
484L49.5Very low70.2Confident120 Ų12070.1 Ų70.163%0.62834%0.343SS*.G310 helixtrans70.838.9173.5-65.8127.5000117.2Y486L484-Y486 VanDerWaalsContact O-CD2 3.29Å; L484-Y486 WeakPolarHBondContact O-CD2 3.25Å; L484-Y486 PolarHBondContact O-N 3.34Å
485H50.4Low69.9Low88 Ų8868.6 Ų68.641%0.40734%0.339SS..G310 helixtrans66.45171.8-52.7-72.3000116.4E563H485-E563 IonicContact CD2-OE1 2.69Å; H485-E563 IonicContact NE2-OE1 2.75Å
486Y60Low69.7Low22 Ų2270.5 Ų70.59%0.08635%0.352CS..  trans-112116.2170.1-72.5-88.7000108.7L484 W488 L499 P500 C501 F502 A509 L529 C532L484-Y486 VanDerWaalsContact O-CD2 3.29Å; L484-Y486 WeakPolarHBondContact O-CD2 3.25Å; L484-Y486 PolarHBondContact O-N 3.34Å; Y486-W488 HydrophobicContact CD1-CZ2 4.48Å; Y486-W488 HydrophobicContact CG-CZ2 4.18Å; Y486-W488 PolarHBondContact O-N 2.78Å; Y486-W488 VanDerWaalsContact O-N 3.15Å; Y486-L499 HydrophobicContact CD1-CB 3.74Å; Y486-L499 HydrophobicContact CD1-CD1 3.99Å; Y486-L499 HydrophobicContact CE1-CB 4.3Å; Y486-L499 HydrophobicContact CG-CD1 4.37Å; Y486-P500 WeakPolarHBondContact CE1-O 3.25Å; Y486-C501 VanDerWaalsContact OH-CA 3.31Å; Y486-C501 WeakPolarHBondContact OH-CA 3.31Å; Y486-F502 PolarHBondContact OH-N 3.15Å; Y486-A509 HydrophobicContact CD1-CB 3.88Å; Y486-A509 HydrophobicContact CE1-CB 3.4Å; Y486-A509 HydrophobicContact CE2-CB 4.48Å; Y486-L529 HydrophobicContact CD2-CD2 4.1Å; Y486-L529 HydrophobicContact CE2-CD2 3.52Å; Y486-C532 PolarHBondContact OH-SG 2.03Å
487L61.7Low69.3Low53 Ų5364.8 Ų64.828%0.27733%0.325SS..  trans-80.193.6175.5-170.673.3000108.9E480 N482 P489 L499E480-L487 HydrophobicContact CG-CD1 4.32Å; E480-L487 WeakPolarHBondContact OE1-CD1 3.35Å; N482-L487 HydrophobicContact CB-CD1 4.17Å; L487-P489 WeakPolarHBondContact O-CD 3.24Å; L487-L499 WeakPolarHBondContact O-CD1 3.2Å
488W73.9Confident69Low2 Ų267 Ų671%0.00833%0.332CS..BIsolated β-bridgetrans-78.1116.5178.5-6193.6000109.2E480 D481 Y486 H497 L499 A509 R511 W524 A527E480-W488 VanDerWaalsContact CA-O 3.27Å; E480-W488 WeakPolarHBondContact CA-O 3.34Å; E480-W488 WeakPolarHBondContact CG-O 3.47Å; D481-W488 PolarHBondContact N-O 2.98Å; D481-W488 PolarHBondContact O-N 2.82Å; Y486-W488 HydrophobicContact CD1-CZ2 4.48Å; Y486-W488 HydrophobicContact CG-CZ2 4.18Å; Y486-W488 PolarHBondContact O-N 2.78Å; Y486-W488 VanDerWaalsContact O-N 3.15Å; W488-H497 HydrophobicContact CE3-CB 4.22Å; W488-H497 HydrophobicContact CZ3-CB 4.38Å; W488-H497 WeakPolarHBondContact CZ3-O 3.48Å; W488-L499 HydrophobicContact CD2-CD1 3.69Å; W488-L499 HydrophobicContact CE3-CD1 3.55Å; W488-L499 HydrophobicContact CE3-CG 4.06Å; W488-L499 HydrophobicContact CG-CD1 4.27Å; W488-L499 HydrophobicContact CH2-CB 4.41Å; W488-L499 HydrophobicContact CH2-CD1 4.02Å; W488-L499 HydrophobicContact CH2-CG 4.32Å; W488-L499 HydrophobicContact CZ2-CD1 4.16Å; W488-L499 HydrophobicContact CZ3-CB 4.38Å; W488-L499 HydrophobicContact CZ3-CD1 3.72Å; W488-L499 HydrophobicContact CZ3-CG 3.87Å; W488-A509 HydrophobicContact CH2-CB 4.02Å; W488-A509 HydrophobicContact CZ2-CB 4.36Å; W488-R511 HydrophobicContact CD2-CB 3.75Å; W488-R511 HydrophobicContact CD2-CG 4.37Å; W488-R511 HydrophobicContact CE3-CB 3.51Å; W488-R511 HydrophobicContact CH2-CB 3.5Å; W488-R511 VanDerWaalsContact CH2-CB 3.5Å; W488-R511 HydrophobicContact CZ2-CB 3.72Å; W488-R511 HydrophobicContact CZ3-CB 3.38Å; W488-W524 HydrophobicContact CB-CH2 4.11Å; W488-W524 HydrophobicContact CB-CZ2 3.81Å; W488-A527 HydrophobicContact CZ2-CB 3.93Å
489P66.7Low68.4Low19 Ų1967.7 Ų67.712%0.12334%0.336CS..PPolyproline II helixtrans-72.5163.5179.933-37000111L487 T491 H497 W524L487-P489 WeakPolarHBondContact O-CD 3.24Å; P489-T491 PolarHBondContact O-N 2.94Å; P489-T491 PolarHBondContact O-OG1 3.16Å; P489-H497 WeakPolarHBondContact CG-CD2 2.96Å; P489-H497 WeakPolarHBondContact CG-NE2 3.47Å; P489-W524 WeakPolarHBondContact O-CZ2 3.27Å
490E74.8Confident67.7Low129 Ų12964 Ų6460%0.60331%0.312SS*.PPolyproline II helixtrans-52.1126171.8-171-177.5159.600110.6N477 C478N477-E490 HydrophobicContact CB-CG 3.6Å; N477-E490 VanDerWaalsContact CB-OE1 3.31Å; N477-E490 WeakPolarHBondContact CB-OE1 3.49Å; N477-E490 PolarHBondContact ND2-OE1 3.48Å; C478-E490 WeakPolarHBondContact O-CA 3.02Å
491T74.9Confident67.2Low6 Ų658.9 Ų58.94%0.03729%0.288CS..BIsolated β-bridgetrans-134.6132.4-169.3-630000111.1C478 P489 V495 H497 C513 W524C478-T491 PolarHBondContact N-O 3.05Å; C478-T491 PolarHBondContact O-N 3.3Å; C478-T491 VanDerWaalsContact O-N 3.11Å; P489-T491 PolarHBondContact O-N 2.94Å; P489-T491 PolarHBondContact O-OG1 3.16Å; T491-V495 HydrophobicContact CG2-CB 3.68Å; T491-V495 HydrophobicContact CG2-CG1 3.82Å; T491-H497 HydrophobicContact CG2-CB 4.45Å; T491-C513 HydrophobicContact CG2-CB 4.08Å; T491-C513 PolarHBondContact O-SG 2.91Å; T491-W524 VanDerWaalsContact CB-CH2 3.47Å; T491-W524 HydrophobicContact CG2-CH2 4.08Å; T491-W524 HydrophobicContact CG2-CZ3 4.5Å; T491-W524 VanDerWaalsContact OG1-CH2 3.28Å; T491-W524 WeakPolarHBondContact OG1-CH2 3.41Å
492K76.5Confident66.3Low99 Ų9959.3 Ų59.343%0.4329%0.289SS..  trans-61.3150.2178.2-68.6-177.9-179.6178.90111.7E443 V495 C513E443-K492 IonicContact OE1-NZ 2.8Å; E443-K492 PolarHBondContact OE1-NZ 2.99Å; K492-V495 HydrophobicContact CB-CG2 3.85Å; K492-V495 WeakPolarHBondContact O-CB 3.24Å; K492-V495 PolarHBondContact O-N 2.8Å; K492-V495 VanDerWaalsContact O-N 3.15Å; K492-C513 WeakPolarHBondContact O-CB 3.07Å
493P77.1Confident65.9Low13 Ų1354.5 Ų54.58%0.08426%0.264CS..THydrogen-bonded Turntrans-57.8140.7176.9-22.432.7000113.1F370 I475 V495 I515F370-P493 HydrophobicContact CD2-CB 3.83Å; F370-P493 HydrophobicContact CD2-CG 4.29Å; F370-P493 HydrophobicContact CE2-CB 4.07Å; I475-P493 HydrophobicContact CG2-CG 3.87Å; P493-V495 PolarHBondContact O-N 3.44Å; P493-I515 HydrophobicContact CB-CD1 3.82Å; P493-I515 HydrophobicContact CB-CG1 3.71Å
494R75.7Confident66.2Low168 Ų16853 Ų5363%0.63426%0.256SS*.THydrogen-bonded Turntrans67.1-1.9-171.5-64.9-161.7172.5-156.5-5.8116.9F370 C513F370-R494 HydrophobicContact CE2-CG 4.38Å; F370-R494 HydrophobicContact CZ-CB 4.36Å; F370-R494 HydrophobicContact CZ-CG 3.86Å; R494-C513 VanDerWaalsContact CA-O 3.25Å; R494-C513 WeakPolarHBondContact CA-O 3.31Å; R494-C513 PolarHBondContact N-O 2.84Å
495V74.4Confident66.7Low48 Ų4848.5 Ų48.529%0.29123%0.232SC..PPolyproline II helixtrans-80.4137.8175.2179.20000110.1T491 K492 P493 T512 C513T491-V495 HydrophobicContact CG2-CB 3.68Å; T491-V495 HydrophobicContact CG2-CG1 3.82Å; K492-V495 HydrophobicContact CB-CG2 3.85Å; K492-V495 WeakPolarHBondContact O-CB 3.24Å; K492-V495 PolarHBondContact O-N 2.8Å; K492-V495 VanDerWaalsContact O-N 3.15Å; P493-V495 PolarHBondContact O-N 3.44Å; V495-T512 WeakPolarHBondContact O-CA 3.47Å; V495-C513 PolarHBondContact O-N 2.96Å
496T78.2Confident67.1Low52 Ų5250.7 Ų50.732%0.31925%0.246SC..EExtended strand (participates in β ladder)trans-99.2120.2170.4-58.30000108.5F498 R511 T512T496-F498 HydrophobicContact CG2-CE1 4.27Å; T496-F498 HydrophobicContact CG2-CE2 3.95Å; T496-F498 HydrophobicContact CG2-CZ 3.78Å; T496-R511 WeakPolarHBondContact CA-O 3.37Å; T496-T512 WeakPolarHBondContact OG1-CG2 3.49Å; T496-T512 PolarHBondContact OG1-OG1 2.82Å
497H73.1Confident67.5Low29 Ų2954.2 Ų54.213%0.13426%0.263CS..EExtended strand (participates in β ladder)trans-92.7143.9173.8-161.2-75.1000109.4W488 P489 T491 S510 R511 W524W488-H497 HydrophobicContact CE3-CB 4.22Å; W488-H497 HydrophobicContact CZ3-CB 4.38Å; W488-H497 WeakPolarHBondContact CZ3-O 3.48Å; P489-H497 WeakPolarHBondContact CG-CD2 2.96Å; P489-H497 WeakPolarHBondContact CG-NE2 3.47Å; T491-H497 HydrophobicContact CG2-CB 4.45Å; H497-S510 VanDerWaalsContact O-CA 3.32Å; H497-S510 WeakPolarHBondContact O-CA 3.35Å; H497-R511 PolarHBondContact N-O 3.39Å; H497-R511 PolarHBondContact O-N 2.95Å; H497-W524 HydrophobicContact CB-CH2 4.47Å
498F74.6Confident68Low99 Ų9953.9 Ų53.943%0.43427%0.266SS..EExtended strand (participates in β ladder)trans-115.9139.2177-63-89.1000110T496 A509T496-F498 HydrophobicContact CG2-CE1 4.27Å; T496-F498 HydrophobicContact CG2-CE2 3.95Å; T496-F498 HydrophobicContact CG2-CZ 3.78Å; F498-A509 CarbonylContact C-O 3.5Å; F498-A509 VanDerWaalsContact CA-O 3.29Å; F498-A509 WeakPolarHBondContact CA-O 3.22Å
499L68.4Low68.1Low16 Ų1653.8 Ų53.88%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-132.6147.9175.9-68.5174.1000109.4Y486 L487 W488 C501 S508 A509Y486-L499 HydrophobicContact CD1-CB 3.74Å; Y486-L499 HydrophobicContact CD1-CD1 3.99Å; Y486-L499 HydrophobicContact CE1-CB 4.3Å; Y486-L499 HydrophobicContact CG-CD1 4.37Å; L487-L499 WeakPolarHBondContact O-CD1 3.2Å; W488-L499 HydrophobicContact CD2-CD1 3.69Å; W488-L499 HydrophobicContact CE3-CD1 3.55Å; W488-L499 HydrophobicContact CE3-CG 4.06Å; W488-L499 HydrophobicContact CG-CD1 4.27Å; W488-L499 HydrophobicContact CH2-CB 4.41Å; W488-L499 HydrophobicContact CH2-CD1 4.02Å; W488-L499 HydrophobicContact CH2-CG 4.32Å; W488-L499 HydrophobicContact CZ2-CD1 4.16Å; W488-L499 HydrophobicContact CZ3-CB 4.38Å; W488-L499 HydrophobicContact CZ3-CD1 3.72Å; W488-L499 HydrophobicContact CZ3-CG 3.87Å; L499-C501 PolarHBondContact O-N 3.33Å; L499-S508 CarbonylContact O-C 3.47Å; L499-S508 VanDerWaalsContact O-CA 3.26Å; L499-S508 WeakPolarHBondContact O-CA 3.26Å; L499-A509 PolarHBondContact N-O 2.86Å; L499-A509 PolarHBondContact O-N 3.18Å
500P63.7Low68.8Low10 Ų1054 Ų547%0.06527%0.267CS..EExtended strand (participates in β ladder)trans-62133.9177.923.5-32.5000111.4Y60 D98 F99 Y486 F502 K505Y60-P500 HydrophobicContact CD1-CB 3.93Å; Y60-P500 HydrophobicContact CD1-CG 3.86Å; Y60-P500 HydrophobicContact CE1-CB 3.74Å; Y60-P500 HydrophobicContact CE1-CG 4.21Å; D98-P500 HydrophobicContact CB-CG 4.44Å; F99-P500 HydrophobicContact CE1-CB 4.25Å; F99-P500 HydrophobicContact CE1-CG 4.18Å; Y486-P500 WeakPolarHBondContact CE1-O 3.25Å; P500-F502 PolarHBondContact O-N 3.05Å; P500-K505 HydrophobicContact CB-CB 4.34Å; P500-K505 HydrophobicContact CB-CG 4.17Å
501C64.7Low69.2Low4 Ų449.3 Ų49.33%0.02724%0.244CC..PPolyproline II helixtrans-60135.8175.2-71.60000111F99 Y486 L499 P503 N504 Q507 C532F99-C501 WeakPolarHBondContact CZ-O 3.28Å; Y486-C501 VanDerWaalsContact OH-CA 3.31Å; Y486-C501 WeakPolarHBondContact OH-CA 3.31Å; L499-C501 PolarHBondContact O-N 3.33Å; C501-P503 CarbonylContact O-C 3.44Å; C501-N504 CarbonylContact C-O 3.57Å; C501-N504 WeakPolarHBondContact CB-O 3.32Å; C501-N504 CarbonylContact O-C 3.48Å; C501-N504 PolarHBondContact O-N 3.19Å; C501-Q507 HydrophobicContact CB-CB 4.45Å; C501-Q507 VanDerWaalsContact CB-O 3.28Å; C501-Q507 WeakPolarHBondContact CB-O 3.28Å; C501-Q507 PolarHBondContact N-O 3.25Å; C501-Q507 PolarHBondContact SG-O 2.87Å; C501-C532 HydrophobicContact CB-CB 3.6Å; C501-C532 WeakPolarHBondContact CB-SG 2.89Å; C501-C532 WeakPolarHBondContact SG-CA 3.31Å; C501-C532 WeakPolarHBondContact SG-CB 3.36Å; C501-C532 CovalentContact SG-SG 2.02Å; C501-C532 PolarHBondContact SG-SG 3.12Å
502F51.3Low69.6Low43 Ų4350.7 Ų50.719%0.18925%0.252CS..SBendtrans-85.4131.7169.7-179.9-96000110.5F99 Y486 P500 F554F99-F502 HydrophobicContact CB-CD2 4.49Å; F99-F502 HydrophobicContact CD1-CD2 4.09Å; F99-F502 HydrophobicContact CD2-CD2 4.04Å; F99-F502 HydrophobicContact CD2-CE2 4.33Å; F99-F502 HydrophobicContact CE1-CB 4.42Å; F99-F502 HydrophobicContact CE1-CD2 4.32Å; F99-F502 HydrophobicContact CE2-CD2 4.3Å; F99-F502 AromaticContact CG-CD2 3.94Å; F99-F502 HydrophobicContact CG-CD2 3.94Å; F99-F502 HydrophobicContact CG-CE2 4.43Å; F99-F502 HydrophobicContact CZ-CD2 4.43Å; Y486-F502 PolarHBondContact OH-N 3.15Å; P500-F502 PolarHBondContact O-N 3.05Å; F502-F554 HydrophobicContact CD1-CD2 4.4Å; F502-F554 HydrophobicContact CD1-CE2 4.3Å; F502-F554 AromaticContact CE1-CD2 3.36Å; F502-F554 HydrophobicContact CE1-CD2 3.36Å; F502-F554 AromaticContact CE1-CE2 3.56Å; F502-F554 HydrophobicContact CE1-CE2 3.56Å; F502-F554 AromaticContact CE1-CG 3.94Å; F502-F554 HydrophobicContact CE1-CG 3.94Å; F502-F554 HydrophobicContact CE1-CZ 4.27Å; F502-F554 HydrophobicContact CE2-CD2 4.34Å; F502-F554 HydrophobicContact CZ-CB 3.92Å; F502-F554 AromaticContact CZ-CD2 3.33Å; F502-F554 HydrophobicContact CZ-CD2 3.33Å; F502-F554 HydrophobicContact CZ-CE2 4.03Å; F502-F554 AromaticContact CZ-CG 3.77Å; F502-F554 HydrophobicContact CZ-CG 3.77Å
503P47.4Very low70Confident19 Ų1946 Ų4612%0.12323%0.232CC..SBendcis-94.1-0.5-3.637.4-35.5000114.6F99 C501 V537F99-P503 VanDerWaalsContact CE2-O 3.32Å; F99-P503 WeakPolarHBondContact CE2-O 3.4Å; C501-P503 CarbonylContact O-C 3.44Å; P503-V537 HydrophobicContact CG-CG2 3.81Å
504N53.5Low70.3Confident74 Ų7449.5 Ų49.540%0.39625%0.249SC..  trans-104.6121.3-176.6-1727.5000112.4C501 D506C501-N504 CarbonylContact C-O 3.57Å; C501-N504 WeakPolarHBondContact CB-O 3.32Å; C501-N504 CarbonylContact O-C 3.48Å; C501-N504 PolarHBondContact O-N 3.19Å; N504-D506 VanDerWaalsContact C-N 3.26Å; N504-D506 PolarHBondContact ND2-OD2 3.26Å; N504-D506 PolarHBondContact O-N 3.3Å; N504-D506 VanDerWaalsContact OD1-CG 3.26Å; N504-D506 PolarHBondContact OD1-N 3.29Å; N504-D506 PolarHBondContact OD1-OD2 2.84Å
505K58.9Low70.5Confident26 Ų2642.8 Ų42.811%0.11323%0.226CC..THydrogen-bonded Turntrans-75.2-4.1-177.9-55.1-164-171.6-167.20115E53 Y60 D98 F99 S100 P500 Q507E53-K505 IonicContact OE1-NZ 3.88Å; E53-K505 PolarHBondContact OE1-NZ 3.33Å; E53-K505 IonicContact OE2-NZ 2.79Å; E53-K505 PolarHBondContact OE2-NZ 2.84Å; Y60-K505 HydrophobicContact CD1-CD 4.09Å; Y60-K505 HydrophobicContact CD2-CD 3.94Å; Y60-K505 HydrophobicContact CE1-CB 4.17Å; Y60-K505 HydrophobicContact CE1-CD 3.92Å; Y60-K505 HydrophobicContact CE1-CG 4.46Å; Y60-K505 HydrophobicContact CE2-CD 3.75Å; Y60-K505 HydrophobicContact CG-CD 4.12Å; Y60-K505 PolarHBondContact OH-O 2.78Å; D98-K505 IonicContact OD1-NZ 3.17Å; D98-K505 PolarHBondContact OD1-NZ 3.29Å; D98-K505 VanDerWaalsContact OD2-CE 3.22Å; D98-K505 WeakPolarHBondContact OD2-CE 3.35Å; D98-K505 IonicContact OD2-NZ 3.72Å; D98-K505 PolarHBondContact OD2-NZ 2.95Å; F99-K505 HydrophobicContact CZ-CG 3.98Å; S100-K505 PolarHBondContact O-NZ 2.98Å; S100-K505 WeakPolarHBondContact OG-CE 3.37Å; P500-K505 HydrophobicContact CB-CB 4.34Å; P500-K505 HydrophobicContact CB-CG 4.17Å; K505-Q507 PolarHBondContact O-N 3.03Å
506D60.4Low70.6Confident134 Ų13442.9 Ų42.972%0.71723%0.225SC*.THydrogen-bonded Turntrans-63.5-23.7-179.8-66.1-25.3000113.7N504N504-D506 VanDerWaalsContact C-N 3.26Å; N504-D506 PolarHBondContact ND2-OD2 3.26Å; N504-D506 PolarHBondContact O-N 3.3Å; N504-D506 VanDerWaalsContact OD1-CG 3.26Å; N504-D506 PolarHBondContact OD1-N 3.29Å; N504-D506 PolarHBondContact OD1-OD2 2.84Å
507Q68.5Low70.1Confident95 Ų9543.8 Ų43.844%0.44423%0.232SC..SBendtrans-125.4158.2179.8-58.6-168.518.800110.2C501 K505 N531C501-Q507 HydrophobicContact CB-CB 4.45Å; C501-Q507 VanDerWaalsContact CB-O 3.28Å; C501-Q507 WeakPolarHBondContact CB-O 3.28Å; C501-Q507 PolarHBondContact N-O 3.25Å; C501-Q507 PolarHBondContact SG-O 2.87Å; K505-Q507 PolarHBondContact O-N 3.03Å; Q507-N531 HydrophobicContact CB-CB 4.27Å; Q507-N531 VanDerWaalsContact OE1-CA 3.26Å; Q507-N531 PolarHBondContact OE1-O 3.01Å
508S71.6Confident69.8Low47 Ų4748.8 Ų48.833%0.32926%0.255SS..EExtended strand (participates in β ladder)trans-115.7132-178.1600000112L499L499-S508 CarbonylContact O-C 3.47Å; L499-S508 VanDerWaalsContact O-CA 3.26Å; L499-S508 WeakPolarHBondContact O-CA 3.26Å
509A76.3Confident69.5Low0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-71.2144.9159.700000109.3Y486 W488 F498 L499 L529Y486-A509 HydrophobicContact CD1-CB 3.88Å; Y486-A509 HydrophobicContact CE1-CB 3.4Å; Y486-A509 HydrophobicContact CE2-CB 4.48Å; W488-A509 HydrophobicContact CH2-CB 4.02Å; W488-A509 HydrophobicContact CZ2-CB 4.36Å; F498-A509 CarbonylContact C-O 3.5Å; F498-A509 VanDerWaalsContact CA-O 3.29Å; F498-A509 WeakPolarHBondContact CA-O 3.22Å; L499-A509 PolarHBondContact N-O 2.86Å; L499-A509 PolarHBondContact O-N 3.18Å; A509-L529 HydrophobicContact CB-CD2 3.67Å
510S81.1Confident69.8Low22 Ų2246 Ų4615%0.15425%0.246CC..EExtended strand (participates in β ladder)trans-132.2143.4176.8710000111.8H497 N528H497-S510 VanDerWaalsContact O-CA 3.32Å; H497-S510 WeakPolarHBondContact O-CA 3.35Å; S510-N528 PolarHBondContact N-O 2.67Å; S510-N528 WeakPolarHBondContact O-CB 3.35Å; S510-N528 PolarHBondContact O-N 2.99Å
511R84.1Confident70.6Confident31 Ų3150.4 Ų50.412%0.11727%0.266CS..EExtended strand (participates in β ladder)trans-142138174.1-159.6179.4-175-168.4-5.1109.6D481 W488 T496 H497 W524 S525 A527D481-R511 IonicContact OD2-CZ 3.95Å; D481-R511 VanDerWaalsContact OD2-CZ 3.25Å; D481-R511 IonicContact OD2-NH1 3.47Å; D481-R511 PolarHBondContact OD2-NH1 2.96Å; D481-R511 IonicContact OD2-NH2 3.88Å; D481-R511 PolarHBondContact OD2-NH2 3.26Å; W488-R511 HydrophobicContact CD2-CB 3.75Å; W488-R511 HydrophobicContact CD2-CG 4.37Å; W488-R511 HydrophobicContact CE3-CB 3.51Å; W488-R511 HydrophobicContact CH2-CB 3.5Å; W488-R511 VanDerWaalsContact CH2-CB 3.5Å; W488-R511 HydrophobicContact CZ2-CB 3.72Å; W488-R511 HydrophobicContact CZ3-CB 3.38Å; T496-R511 WeakPolarHBondContact CA-O 3.37Å; H497-R511 PolarHBondContact N-O 3.39Å; H497-R511 PolarHBondContact O-N 2.95Å; R511-W524 HydrophobicContact CB-CE3 4.15Å; R511-W524 HydrophobicContact CB-CZ3 3.99Å; R511-W524 HydrophobicContact CG-CD2 4.41Å; R511-W524 HydrophobicContact CG-CE3 3.59Å; R511-W524 HydrophobicContact CG-CZ3 3.97Å; R511-W524 VanDerWaalsContact CZ-CB 3.47Å; R511-W524 VanDerWaalsContact NH2-CB 3.27Å; R511-S525 WeakPolarHBondContact CG-O 3.42Å; R511-S525 PolarHBondContact NE-O 3.34Å; R511-A527 HydrophobicContact CG-CB 4.35Å
512T82.1Confident71.5Confident35 Ų3551.1 Ų51.122%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-109131.5-175.6-50.20000109.9V495 T496 L514 S525V495-T512 WeakPolarHBondContact O-CA 3.47Å; T496-T512 WeakPolarHBondContact OG1-CG2 3.49Å; T496-T512 PolarHBondContact OG1-OG1 2.82Å; T512-L514 HydrophobicContact CG2-CD2 3.81Å; T512-L514 HydrophobicContact CG2-CG 4.47Å; T512-L514 PolarHBondContact O-N 3.02Å; T512-S525 PolarHBondContact N-OG 2.93Å; T512-S525 VanDerWaalsContact O-CB 3.27Å; T512-S525 WeakPolarHBondContact O-CB 3.35Å; T512-S525 PolarHBondContact O-N 3.18Å; T512-S525 PolarHBondContact O-OG 3.24Å
513C84.2Confident73.1Confident0 Ų052.5 Ų52.50%028%0.283CS..EExtended strand (participates in β ladder)trans-76.6108.6169.4-178.70000108.9C478 T491 K492 R494 V495 W524C478-C513 HydrophobicContact CB-CB 3.76Å; C478-C513 WeakPolarHBondContact CB-SG 3.41Å; C478-C513 WeakPolarHBondContact SG-CA 3.36Å; C478-C513 WeakPolarHBondContact SG-CB 3.5Å; C478-C513 CovalentContact SG-SG 2.03Å; C478-C513 PolarHBondContact SG-SG 2.94Å; T491-C513 HydrophobicContact CG2-CB 4.08Å; T491-C513 PolarHBondContact O-SG 2.91Å; K492-C513 WeakPolarHBondContact O-CB 3.07Å; R494-C513 VanDerWaalsContact CA-O 3.25Å; R494-C513 WeakPolarHBondContact CA-O 3.31Å; R494-C513 PolarHBondContact N-O 2.84Å; V495-C513 PolarHBondContact O-N 2.96Å; C513-W524 HydrophobicContact CB-CE3 4.39Å; C513-W524 HydrophobicContact CB-CZ3 4.33Å
514L83.6Confident74.8Confident87 Ų8752.9 Ų52.946%0.45528%0.282SS..EExtended strand (participates in β ladder)trans-96.8156.2-178.1-62.3175.7000110.9T512 S522 V523T512-L514 HydrophobicContact CG2-CD2 3.81Å; T512-L514 HydrophobicContact CG2-CG 4.47Å; T512-L514 PolarHBondContact O-N 3.02Å; L514-S522 CarbonylContact O-C 3.58Å; L514-S522 WeakPolarHBondContact O-CA 3.08Å; L514-V523 WeakPolarHBondContact CA-O 3.4Å; L514-V523 PolarHBondContact N-O 2.97Å; L514-V523 PolarHBondContact O-N 3.45Å; L514-V523 VanDerWaalsContact O-O 3.11Å
515I79.6Confident76.1Confident27 Ų2750.5 Ų50.514%0.13827%0.271CS..EExtended strand (participates in β ladder)trans-98.4118169.5-58.6171.9000107.4F370 L437 I475 P493 P517F370-I515 HydrophobicContact CB-CD1 4.18Å; F370-I515 HydrophobicContact CD1-CD1 3.5Å; F370-I515 VanDerWaalsContact CD1-CD1 3.5Å; F370-I515 HydrophobicContact CD2-CD1 4.02Å; F370-I515 HydrophobicContact CE1-CD1 3.76Å; F370-I515 HydrophobicContact CE2-CD1 4.27Å; F370-I515 HydrophobicContact CG-CD1 3.62Å; F370-I515 HydrophobicContact CZ-CD1 4.14Å; L437-I515 HydrophobicContact CD1-CG2 4.49Å; L437-I515 HydrophobicContact CD2-CD1 4.48Å; L437-I515 HydrophobicContact CD2-CG2 4.36Å; I475-I515 HydrophobicContact CD1-CD1 4.3Å; I475-I515 HydrophobicContact CD1-CG2 4.04Å; P493-I515 HydrophobicContact CB-CD1 3.82Å; P493-I515 HydrophobicContact CB-CG1 3.71Å; I515-P517 WeakPolarHBondContact O-CD 3.31Å
516N76.7Confident77Confident51 Ų5155.4 Ų55.427%0.27330%0.304SS..PPolyproline II helixtrans-60.9120.8175.4-177.9-28.7000108.9E518 T519 F520 Q521 V523N516-E518 PolarHBondContact O-N 3.47Å; N516-E518 PolarHBondContact OD1-N 3.48Å; N516-T519 WeakPolarHBondContact CB-OG1 3.43Å; N516-T519 PolarHBondContact ND2-OG1 2.75Å; N516-T519 PolarHBondContact OD1-N 2.88Å; N516-F520 WeakPolarHBondContact O-CA 3.41Å; N516-F520 PolarHBondContact O-N 2.9Å; N516-Q521 PolarHBondContact N-O 2.02Å; N516-V523 HydrophobicContact CB-CG2 4.09Å
517P68.3Low77.6Confident71 Ų7150.6 Ų50.646%0.46128%0.282SS..THydrogen-bonded Turntrans-79.44.2-173.137.6-40.7000113.2K417 I515K417-P517 HydrophobicContact CD-CB 4.11Å; K417-P517 WeakPolarHBondContact CD-O 3.43Å; K417-P517 PolarHBondContact NZ-O 3.23Å; I515-P517 WeakPolarHBondContact O-CD 3.31Å
518E66.7Low77.8Confident134 Ų13449.9 Ų49.963%0.62628%0.281SS*.THydrogen-bonded Turntrans-112.6-28.5174.2-60.6-170167.600113.5Q419 N516Q419-E518 PolarHBondContact OE1-O 2.84Å; N516-E518 PolarHBondContact O-N 3.47Å; N516-E518 PolarHBondContact OD1-N 3.48Å
519T69.6Low77.7Confident51 Ų5150.5 Ų50.531%0.31328%0.281SS..THydrogen-bonded Turntrans-110.3-11.2-179.661.10000113.3R372 N516 Q521R372-T519 PolarHBondContact NH1-O 3.27Å; N516-T519 WeakPolarHBondContact CB-OG1 3.43Å; N516-T519 PolarHBondContact ND2-OG1 2.75Å; N516-T519 PolarHBondContact OD1-N 2.88Å; T519-Q521 PolarHBondContact O-N 3.31Å; T519-Q521 PolarHBondContact OG1-OE1 2.92Å
520F74.8Confident77.1Confident5 Ų555.9 Ų55.92%0.02231%0.314CS..  trans49.542.3-171-55.4-45.3000112.3R372 K417 Q435 L437 I475 N516R372-F520 HydrophobicContact CG-CB 4.1Å; R372-F520 HydrophobicContact CG-CD2 4.27Å; K417-F520 HydrophobicContact CB-CE1 3.86Å; K417-F520 HydrophobicContact CB-CZ 3.69Å; K417-F520 VanDerWaalsContact O-CZ 3.31Å; K417-F520 WeakPolarHBondContact O-CZ 3.17Å; Q435-F520 HydrophobicContact CB-CD2 4.05Å; Q435-F520 HydrophobicContact CB-CE2 3.79Å; L437-F520 HydrophobicContact CB-CD1 4.09Å; L437-F520 HydrophobicContact CB-CE1 4.09Å; I475-F520 WeakPolarHBondContact CD1-O 3.01Å; N516-F520 WeakPolarHBondContact O-CA 3.41Å; N516-F520 PolarHBondContact O-N 2.9Å
521Q78.8Confident75.9Confident102 Ų10259.3 Ų59.348%0.47733%0.331SS..  trans-113.9151.1172.8-69.7176-45.600109.4N516 T519N516-Q521 PolarHBondContact N-O 2.02Å; T519-Q521 PolarHBondContact O-N 3.31Å; T519-Q521 PolarHBondContact OG1-OE1 2.92Å
522S84.4Confident74.7Confident19 Ų1958.9 Ų58.913%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-71.1135.117151.50000110.4E476 N477 L514E476-S522 WeakPolarHBondContact O-CB 3.42Å; E476-S522 PolarHBondContact O-OG 3.35Å; N477-S522 PolarHBondContact O-OG 3.14Å; L514-S522 CarbonylContact O-C 3.58Å; L514-S522 WeakPolarHBondContact O-CA 3.08Å
523V84.8Confident73.2Confident72 Ų7259.7 Ų59.744%0.43634%0.339SS..EExtended strand (participates in β ladder)trans-143.3134.9178.1179.80000108C478 L514 N516 S525C478-V523 VanDerWaalsContact SG-C 3.59Å; L514-V523 WeakPolarHBondContact CA-O 3.4Å; L514-V523 PolarHBondContact N-O 2.97Å; L514-V523 PolarHBondContact O-N 3.45Å; L514-V523 VanDerWaalsContact O-O 3.11Å; N516-V523 HydrophobicContact CB-CG2 4.09Å; V523-S525 PolarHBondContact O-N 3.43Å
524W83.4Confident71.5Confident28 Ų2861.4 Ų61.411%0.10635%0.35CS..EExtended strand (participates in β ladder)trans-64133.9173.7-81.9119.7000112.5C478 P479 W488 P489 T491 H497 R511 C513C478-W524 HydrophobicContact CB-CD2 3.84Å; C478-W524 HydrophobicContact CB-CE3 4.47Å; C478-W524 HydrophobicContact CB-CG 4.15Å; C478-W524 HydrophobicContact CB-CZ2 3.91Å; P479-W524 PolarHBondContact O-NE1 3.27Å; W488-W524 HydrophobicContact CB-CH2 4.11Å; W488-W524 HydrophobicContact CB-CZ2 3.81Å; P489-W524 WeakPolarHBondContact O-CZ2 3.27Å; T491-W524 VanDerWaalsContact CB-CH2 3.47Å; T491-W524 HydrophobicContact CG2-CH2 4.08Å; T491-W524 HydrophobicContact CG2-CZ3 4.5Å; T491-W524 VanDerWaalsContact OG1-CH2 3.28Å; T491-W524 WeakPolarHBondContact OG1-CH2 3.41Å; H497-W524 HydrophobicContact CB-CH2 4.47Å; R511-W524 HydrophobicContact CB-CE3 4.15Å; R511-W524 HydrophobicContact CB-CZ3 3.99Å; R511-W524 HydrophobicContact CG-CD2 4.41Å; R511-W524 HydrophobicContact CG-CE3 3.59Å; R511-W524 HydrophobicContact CG-CZ3 3.97Å; R511-W524 VanDerWaalsContact CZ-CB 3.47Å; R511-W524 VanDerWaalsContact NH2-CB 3.27Å; C513-W524 HydrophobicContact CB-CE3 4.39Å; C513-W524 HydrophobicContact CB-CZ3 4.33Å
525S80.7Confident69.5Low23 Ų2361.7 Ų61.716%0.16136%0.355CS..PPolyproline II helixtrans-64.9166165.976.50000110.9R511 T512 V523 A527R511-S525 WeakPolarHBondContact CG-O 3.42Å; R511-S525 PolarHBondContact NE-O 3.34Å; T512-S525 PolarHBondContact N-OG 2.93Å; T512-S525 VanDerWaalsContact O-CB 3.27Å; T512-S525 WeakPolarHBondContact O-CB 3.35Å; T512-S525 PolarHBondContact O-N 3.18Å; T512-S525 PolarHBondContact O-OG 3.24Å; V523-S525 PolarHBondContact O-N 3.43Å; S525-A527 PolarHBondContact O-N 2.92Å
526T77.1Confident67.5Low130 Ų13063.9 Ų63.980%0.79838%0.377SS*.PPolyproline II helixtrans-57.6135.9162.9500000109.2N528T526-N528 PolarHBondContact O-N 3.34Å
527A72.6Confident66Low33 Ų3362.8 Ų62.827%0.27337%0.372SS..PPolyproline II helixtrans-64.8128.4174.900000109.3W488 R511 S525 L529W488-A527 HydrophobicContact CZ2-CB 3.93Å; R511-A527 HydrophobicContact CG-CB 4.35Å; S525-A527 PolarHBondContact O-N 2.92Å; A527-L529 HydrophobicContact CB-CG 4.33Å; A527-L529 PolarHBondContact O-N 3.45Å
528N73Confident64.7Low79 Ų7963.2 Ų63.242%0.42238%0.376SS..BIsolated β-bridgetrans-86106.7174.1-172.70.4000108.9S510 T526 T530S510-N528 PolarHBondContact N-O 2.67Å; S510-N528 WeakPolarHBondContact O-CB 3.35Å; S510-N528 PolarHBondContact O-N 2.99Å; T526-N528 PolarHBondContact O-N 3.34Å; N528-T530 VanDerWaalsContact OD1-CG2 3.28Å; N528-T530 WeakPolarHBondContact OD1-CG2 3.38Å; N528-T530 PolarHBondContact OD1-N 3.5Å; N528-T530 PolarHBondContact OD1-OG1 2.91Å
529L69.1Low63.9Low60 Ų6058 Ų5831%0.31435%0.354SS..  trans-112.915.3-178.4-60.9173.6000112Y486 A509 A527 N531 C532Y486-L529 HydrophobicContact CD2-CD2 4.1Å; Y486-L529 HydrophobicContact CE2-CD2 3.52Å; A509-L529 HydrophobicContact CB-CD2 3.67Å; A527-L529 HydrophobicContact CB-CG 4.33Å; A527-L529 PolarHBondContact O-N 3.45Å; L529-N531 PolarHBondContact O-N 3.06Å; L529-C532 HydrophobicContact CB-CB 4.39Å; L529-C532 HydrophobicContact CD2-CB 4.27Å; L529-C532 PolarHBondContact O-N 2.98Å
530T63.9Low63.2Low114 Ų11462 Ų6270%0.69937%0.367SS*.THydrogen-bonded Turntrans-57.5-26.2-175.653.80000113.6N528N528-T530 VanDerWaalsContact OD1-CG2 3.28Å; N528-T530 WeakPolarHBondContact OD1-CG2 3.38Å; N528-T530 PolarHBondContact OD1-N 3.5Å; N528-T530 PolarHBondContact OD1-OG1 2.91Å
531N57.3Low62.3Low94 Ų9466.8 Ų66.850%0.50340%0.396SS..THydrogen-bonded Turntrans-94.3-15.8-179.3-74.116.3000112Q507 L529Q507-N531 HydrophobicContact CB-CB 4.27Å; Q507-N531 VanDerWaalsContact OE1-CA 3.26Å; Q507-N531 PolarHBondContact OE1-O 3.01Å; L529-N531 PolarHBondContact O-N 3.06Å
532C58.6Low61.2Low21 Ų2171.2 Ų71.214%0.14242%0.417CS..  trans-101.396.5-178.4-50.20000110.1Y486 C501 L529Y486-C532 PolarHBondContact OH-SG 2.03Å; C501-C532 HydrophobicContact CB-CB 3.6Å; C501-C532 WeakPolarHBondContact CB-SG 2.89Å; C501-C532 WeakPolarHBondContact SG-CA 3.31Å; C501-C532 WeakPolarHBondContact SG-CB 3.36Å; C501-C532 CovalentContact SG-SG 2.02Å; C501-C532 PolarHBondContact SG-SG 3.12Å; L529-C532 HydrophobicContact CB-CB 4.39Å; L529-C532 HydrophobicContact CD2-CB 4.27Å; L529-C532 PolarHBondContact O-N 2.98Å
533S50.5Low60Low53 Ų5373 Ų7337%0.37143%0.425SS..  trans-120.7127.2171.7-172.80000112.1T535 A536S533-T535 PolarHBondContact O-N 3.2Å; S533-T535 VanDerWaalsContact O-N 3.14Å; S533-T535 PolarHBondContact OG-N 2.82Å; S533-T535 PolarHBondContact OG-OG1 2.85Å; S533-A536 WeakPolarHBondContact O-CB 3.5Å; S533-A536 PolarHBondContact O-N 2.79Å; S533-A536 VanDerWaalsContact O-N 3.11Å
534V48.7Very low58.9Low36 Ų3670 Ų7022%0.21841%0.408CS..G310 helixtrans-58.6-23.1170.4-1770000111.4A536V534-A536 VanDerWaalsContact C-N 3.31Å; V534-A536 PolarHBondContact O-N 2.79Å
535T41.2Very low57.9Low92 Ų9271.4 Ų71.456%0.56443%0.425SS*.G310 helixtrans-75.4-13.7178.6630000114.4S533 V537 K570S533-T535 PolarHBondContact O-N 3.2Å; S533-T535 VanDerWaalsContact O-N 3.14Å; S533-T535 PolarHBondContact OG-N 2.82Å; S533-T535 PolarHBondContact OG-OG1 2.85Å; T535-V537 VanDerWaalsContact C-N 3.33Å; T535-V537 PolarHBondContact O-N 2.82Å; T535-K570 PolarHBondContact O-NZ 3.29Å
536A37.5Very low56.9Low74 Ų7471.9 Ų71.961%0.61243%0.434SS*.G310 helixtrans-82.5-3.8-17300000114.7S533 V534S533-A536 WeakPolarHBondContact O-CB 3.5Å; S533-A536 PolarHBondContact O-N 2.79Å; S533-A536 VanDerWaalsContact O-N 3.11Å; V534-A536 VanDerWaalsContact C-N 3.31Å; V534-A536 PolarHBondContact O-N 2.79Å
537V44.3Very low56.2Low28 Ų2866.4 Ų66.417%0.1740%0.4CS..  trans-83115.8177.8-176.30000110.1P503 T535 V547 K570P503-V537 HydrophobicContact CG-CG2 3.81Å; T535-V537 VanDerWaalsContact C-N 3.33Å; T535-V537 PolarHBondContact O-N 2.82Å; V537-V547 HydrophobicContact CG1-CG2 4.08Å; V537-K570 PolarHBondContact O-NZ 2.86Å
538C42Very low56.1Low80 Ų8064.8 Ų64.854%0.54139%0.387SS..  trans-86127.9167.2-66.40000109.9F540 N543C538-F540 HydrophobicContact CB-CD2 4.29Å; C538-F540 HydrophobicContact CB-CE2 3.45Å; C538-F540 VanDerWaalsContact CB-CE2 3.45Å; C538-F540 HydrophobicContact CB-CZ 3.65Å; C538-N543 PolarHBondContact O-ND2 3.36Å
539V49.3Very low55.9Low25 Ų2567.6 Ų67.615%0.15240%0.398CS..  trans-88.3126.1177.3-170.50000110A544 E573 L574 V577V539-A544 HydrophobicContact CG1-CB 4.12Å; V539-E573 HydrophobicContact CG2-CB 4.39Å; V539-L574 HydrophobicContact CG1-CB 4.41Å; V539-L574 HydrophobicContact CG1-CG 4.28Å; V539-V577 HydrophobicContact CG1-CG2 3.93Å
540F54.3Low55.6Low134 Ų13468.1 Ų68.159%0.58840%0.398SS*.  trans-127161.7175.3-57.5-75.9000109.4C538 E542 N543 A544C538-F540 HydrophobicContact CB-CD2 4.29Å; C538-F540 HydrophobicContact CB-CE2 3.45Å; C538-F540 VanDerWaalsContact CB-CE2 3.45Å; C538-F540 HydrophobicContact CB-CZ 3.65Å; F540-E542 PolarHBondContact O-N 2.87Å; F540-E542 VanDerWaalsContact O-N 3.15Å; F540-N543 PolarHBondContact N-OD1 3.44Å; F540-N543 PolarHBondContact O-N 3.42Å; F540-N543 VanDerWaalsContact O-N 3.12Å; F540-N543 PolarHBondContact O-OD1 2.71Å; F540-A544 PolarHBondContact O-N 3.43Å; F540-A544 VanDerWaalsContact O-N 3.08Å
541V56.2Low55.8Low105 Ų10563.5 Ų63.564%0.63637%0.369SS*.THydrogen-bonded Turntrans-54-39.6-175.9-177.90000112.2V577V541-V577 HydrophobicContact CB-CG1 4.28Å; V541-V577 HydrophobicContact CG2-CG1 3.63Å
542E55.8Low56.4Low196 Ų19659.7 Ų59.792%0.91635%0.351SS*.THydrogen-bonded Turntrans-77.1-24.1-176.3-63.7178.3178.500113.9F540F540-E542 PolarHBondContact O-N 2.87Å; F540-E542 VanDerWaalsContact O-N 3.15Å
543N58.9Low56.7Low55 Ų5562.1 Ų62.129%0.29436%0.362SS..THydrogen-bonded Turntrans-102.5-8.6-178.377.74.3000113.7C538 F540 A545 G546 V547C538-N543 PolarHBondContact O-ND2 3.36Å; F540-N543 PolarHBondContact N-OD1 3.44Å; F540-N543 PolarHBondContact O-N 3.42Å; F540-N543 VanDerWaalsContact O-N 3.12Å; F540-N543 PolarHBondContact O-OD1 2.71Å; N543-A545 VanDerWaalsContact C-N 3.33Å; N543-A545 PolarHBondContact O-N 3.37Å; N543-G546 PolarHBondContact O-N 3.03Å; N543-V547 WeakPolarHBondContact O-CG2 3.29Å; N543-V547 PolarHBondContact O-N 3.19Å
544A62.3Low57.5Low10 Ų1060.6 Ų60.68%0.08335%0.349CS..Hα-helixtrans-59.1-38.7-173.600000113.4V539 F540 A548V539-A544 HydrophobicContact CG1-CB 4.12Å; F540-A544 PolarHBondContact O-N 3.43Å; F540-A544 VanDerWaalsContact O-N 3.08Å; A544-A548 WeakPolarHBondContact O-CB 3.44Å; A544-A548 PolarHBondContact O-N 3.46Å
545A63.6Low58.5Low57 Ų5759.1 Ų59.147%0.47134%0.34SS..Hα-helixtrans-65.4-44.5177.600000112.2N543 A548 E549 V584N543-A545 VanDerWaalsContact C-N 3.33Å; N543-A545 PolarHBondContact O-N 3.37Å; A545-A548 PolarHBondContact O-N 3.21Å; A545-E549 PolarHBondContact O-N 3.48Å; A545-E549 VanDerWaalsContact O-N 3.07Å; A545-V584 HydrophobicContact CB-CG2 3.93Å
546G57.8Low59.8Low33 Ų3361.7 Ų61.734%0.3434%0.343SS..Hα-helixtrans-66.2-40.7177.500000112.6N543 E549 Q550N543-G546 PolarHBondContact O-N 3.03Å; G546-E549 PolarHBondContact O-N 3.05Å; G546-Q550 WeakPolarHBondContact O-CB 3.24Å; G546-Q550 WeakPolarHBondContact O-CG 3.27Å; G546-Q550 PolarHBondContact O-N 2.86Å; G546-Q550 VanDerWaalsContact O-N 3.12Å
547V64.4Low60.9Low15 Ų1563 Ų639%0.09134%0.34CS..Hα-helixtrans-66.1-39.6176.4177.50000111.3V537 N543 Q550 L551 L574V537-V547 HydrophobicContact CG1-CG2 4.08Å; N543-V547 WeakPolarHBondContact O-CG2 3.29Å; N543-V547 PolarHBondContact O-N 3.19Å; V547-Q550 PolarHBondContact O-N 3.49Å; V547-L551 HydrophobicContact CG1-CD1 4.01Å; V547-L551 HydrophobicContact CG1-CG 4.44Å; V547-L551 WeakPolarHBondContact O-CB 3.29Å; V547-L551 WeakPolarHBondContact O-CG 3.47Å; V547-L551 PolarHBondContact O-N 3.5Å; V547-L574 HydrophobicContact CB-CD1 4.08Å; V547-L574 HydrophobicContact CG1-CD1 3.89Å
548A69.9Low61.5Low0 Ų068.1 Ų68.10%037%0.372CS..Hα-helixtrans-64.4-43.7177.100000112A544 A545 Q550 L551 A552 L574 V584 I591A544-A548 WeakPolarHBondContact O-CB 3.44Å; A544-A548 PolarHBondContact O-N 3.46Å; A545-A548 PolarHBondContact O-N 3.21Å; A548-Q550 PolarHBondContact O-N 2.84Å; A548-L551 PolarHBondContact O-N 2.99Å; A548-A552 VanDerWaalsContact O-CB 3.32Å; A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 3.37Å; A548-L574 HydrophobicContact CB-CD1 3.84Å; A548-L574 HydrophobicContact CB-CD2 4.25Å; A548-V584 HydrophobicContact CB-CG1 4.16Å; A548-I591 WeakPolarHBondContact O-CD1 3.38Å
549E68.3Low62.5Low138 Ų13865.2 Ų65.265%0.64535%0.351SS*.Hα-helixtrans-64.1-41178-170179.6-175.100111.8A545 G546 A552 N553A545-E549 PolarHBondContact O-N 3.48Å; A545-E549 VanDerWaalsContact O-N 3.07Å; G546-E549 PolarHBondContact O-N 3.05Å; E549-A552 PolarHBondContact O-N 2.72Å; E549-N553 PolarHBondContact O-N 3.13Å
550Q62.8Low63.4Low71 Ų7166.4 Ų66.433%0.33236%0.36SS..Hα-helixtrans-62.8-46.8176.9-73.4172.7-0.400112.3G546 V547 A548 A552 N553 F554G546-Q550 WeakPolarHBondContact O-CB 3.24Å; G546-Q550 WeakPolarHBondContact O-CG 3.27Å; G546-Q550 PolarHBondContact O-N 2.86Å; G546-Q550 VanDerWaalsContact O-N 3.12Å; V547-Q550 PolarHBondContact O-N 3.49Å; A548-Q550 PolarHBondContact O-N 2.84Å; Q550-A552 VanDerWaalsContact C-N 3.32Å; Q550-A552 PolarHBondContact O-N 2.79Å; Q550-N553 PolarHBondContact O-N 3.07Å; Q550-F554 WeakPolarHBondContact O-CB 3.36Å; Q550-F554 PolarHBondContact O-N 2.84Å
551L69.1Low64Low16 Ų1663.5 Ų63.58%0.08435%0.353CS..Hα-helixtrans-65.1-37.3176-71173.8000111.2V547 A548 N553 F554 T555 V567 K570 V571 I591V547-L551 HydrophobicContact CG1-CD1 4.01Å; V547-L551 HydrophobicContact CG1-CG 4.44Å; V547-L551 WeakPolarHBondContact O-CB 3.29Å; V547-L551 WeakPolarHBondContact O-CG 3.47Å; V547-L551 PolarHBondContact O-N 3.5Å; A548-L551 PolarHBondContact O-N 2.99Å; L551-N553 VanDerWaalsContact C-N 3.3Å; L551-N553 PolarHBondContact O-N 2.9Å; L551-F554 PolarHBondContact O-N 3.33Å; L551-T555 VanDerWaalsContact O-CG2 3.29Å; L551-T555 WeakPolarHBondContact O-CG2 3.37Å; L551-T555 PolarHBondContact O-N 2.81Å; L551-T555 PolarHBondContact O-OG1 2.78Å; L551-T555 VanDerWaalsContact O-OG1 3.06Å; L551-V567 HydrophobicContact CD2-CG1 4.4Å; L551-V567 HydrophobicContact CD2-CG2 4.35Å; L551-K570 HydrophobicContact CD1-CB 4.26Å; L551-V571 HydrophobicContact CD1-CG2 4.34Å; L551-I591 HydrophobicContact CB-CD1 3.52Å; L551-I591 HydrophobicContact CB-CG1 4.09Å
552A69.5Low64.5Low14 Ų1464.5 Ų64.512%0.11635%0.351CS..Hα-helixtrans-62.8-37.5176.800000112A548 E549 Q550 T555 I591A548-A552 VanDerWaalsContact O-CB 3.32Å; A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 3.37Å; E549-A552 PolarHBondContact O-N 2.72Å; Q550-A552 VanDerWaalsContact C-N 3.32Å; Q550-A552 PolarHBondContact O-N 2.79Å; A552-T555 PolarHBondContact O-OG1 3.29Å; A552-T555 VanDerWaalsContact O-OG1 3.14Å; A552-I591 HydrophobicContact CB-CD1 4.31Å; A552-I591 HydrophobicContact CB-CG1 3.77Å
553N64.9Low65.1Low72 Ų7257.3 Ų57.339%0.38532%0.318SS..Hα-helixtrans-74.9-39.4175.9-153.634.4000112.4E549 Q550 L551 T555 K556E549-N553 PolarHBondContact O-N 3.13Å; Q550-N553 PolarHBondContact O-N 3.07Å; L551-N553 VanDerWaalsContact C-N 3.3Å; L551-N553 PolarHBondContact O-N 2.9Å; N553-T555 VanDerWaalsContact C-N 3.28Å; N553-T555 PolarHBondContact O-N 3.29Å; N553-K556 PolarHBondContact O-N 2.93Å; N553-K556 PolarHBondContact OD1-NZ 2.87Å
554F65.9Low65.7Low22 Ų2254.7 Ų54.710%0.09630%0.304CS..Hα-helixtrans-56.7-42.7175.6-177.5-115.1000112.2F502 Q550 L551 K556 N557 L559 V567F502-F554 HydrophobicContact CD1-CD2 4.4Å; F502-F554 HydrophobicContact CD1-CE2 4.3Å; F502-F554 AromaticContact CE1-CD2 3.36Å; F502-F554 HydrophobicContact CE1-CD2 3.36Å; F502-F554 AromaticContact CE1-CE2 3.56Å; F502-F554 HydrophobicContact CE1-CE2 3.56Å; F502-F554 AromaticContact CE1-CG 3.94Å; F502-F554 HydrophobicContact CE1-CG 3.94Å; F502-F554 HydrophobicContact CE1-CZ 4.27Å; F502-F554 HydrophobicContact CE2-CD2 4.34Å; F502-F554 HydrophobicContact CZ-CB 3.92Å; F502-F554 AromaticContact CZ-CD2 3.33Å; F502-F554 HydrophobicContact CZ-CD2 3.33Å; F502-F554 HydrophobicContact CZ-CE2 4.03Å; F502-F554 AromaticContact CZ-CG 3.77Å; F502-F554 HydrophobicContact CZ-CG 3.77Å; Q550-F554 WeakPolarHBondContact O-CB 3.36Å; Q550-F554 PolarHBondContact O-N 2.84Å; L551-F554 PolarHBondContact O-N 3.33Å; F554-K556 PolarHBondContact O-N 2.81Å; F554-N557 PolarHBondContact O-N 3.26Å; F554-L559 HydrophobicContact CD1-CD2 3.77Å; F554-L559 HydrophobicContact CE1-CD2 3.21Å; F554-L559 HydrophobicContact CE2-CD2 4.19Å; F554-L559 HydrophobicContact CG-CD2 4.47Å; F554-L559 HydrophobicContact CZ-CD2 3.45Å; F554-L559 VanDerWaalsContact CZ-CD2 3.45Å; F554-V567 HydrophobicContact CD1-CG2 3.62Å; F554-V567 HydrophobicContact CE1-CG2 3.53Å
555T70.4Confident66.2Low5 Ų556.8 Ų56.83%0.03132%0.318CS..THydrogen-bonded Turntrans-74.9-6-176.657.40000115.2L551 A552 N553 N557 L559 V567 I591 N594 V595L551-T555 VanDerWaalsContact O-CG2 3.29Å; L551-T555 WeakPolarHBondContact O-CG2 3.37Å; L551-T555 PolarHBondContact O-N 2.81Å; L551-T555 PolarHBondContact O-OG1 2.78Å; L551-T555 VanDerWaalsContact O-OG1 3.06Å; A552-T555 PolarHBondContact O-OG1 3.29Å; A552-T555 VanDerWaalsContact O-OG1 3.14Å; N553-T555 VanDerWaalsContact C-N 3.28Å; N553-T555 PolarHBondContact O-N 3.29Å; T555-N557 PolarHBondContact O-N 3.37Å; T555-L559 HydrophobicContact CG2-CD1 3.94Å; T555-V567 HydrophobicContact CG2-CG1 3.73Å; T555-I591 HydrophobicContact CG2-CG2 3.84Å; T555-N594 VanDerWaalsContact O-CB 3.31Å; T555-N594 WeakPolarHBondContact O-CB 3.35Å; T555-N594 PolarHBondContact OG1-ND2 2.87Å; T555-V595 HydrophobicContact CG2-CG2 3.69Å
556K67.7Low66.5Low145 Ų14557.9 Ų57.963%0.6331%0.313SS*.THydrogen-bonded Turntrans-69-20.9174.2-70.1178.4-173.9164.10113.3N553 F554N553-K556 PolarHBondContact O-N 2.93Å; N553-K556 PolarHBondContact OD1-NZ 2.87Å; F554-K556 PolarHBondContact O-N 2.81Å
557N61.1Low67.4Low103 Ų10356.3 Ų56.355%0.55130%0.297SS*.SBendtrans-95.1167-179.2-65.8-29.7000111.8F554 T555 L559F554-N557 PolarHBondContact O-N 3.26Å; T555-N557 PolarHBondContact O-N 3.37Å; N557-L559 PolarHBondContact O-N 2.92Å
558T56.4Low68Low134 Ų13455.8 Ų55.882%0.82229%0.293SS*.PPolyproline II helixtrans-70116.5176.248.90000110.9
559L64.8Low68.3Low19 Ų1958.2 Ų58.210%0.09931%0.309CS..PPolyproline II helixtrans-99.5147.9-177.9-64.2164.7000112F554 T555 N557 E563 V564 V595F554-L559 HydrophobicContact CD1-CD2 3.77Å; F554-L559 HydrophobicContact CE1-CD2 3.21Å; F554-L559 HydrophobicContact CE2-CD2 4.19Å; F554-L559 HydrophobicContact CG-CD2 4.47Å; F554-L559 HydrophobicContact CZ-CD2 3.45Å; F554-L559 VanDerWaalsContact CZ-CD2 3.45Å; T555-L559 HydrophobicContact CG2-CD1 3.94Å; N557-L559 PolarHBondContact O-N 2.92Å; L559-E563 HydrophobicContact CB-CB 4.5Å; L559-E563 HydrophobicContact CD2-CB 4.26Å; L559-V564 HydrophobicContact CB-CG2 3.72Å; L559-V564 HydrophobicContact CD1-CG2 4.06Å; L559-V595 HydrophobicContact CD1-CG2 4.25Å
560S68.1Low68.6Low50 Ų5052.7 Ų52.735%0.3528%0.282SS..PPolyproline II helixtrans-73.4162.1166.467.70000112.1E562 E563 V564S560-E562 VanDerWaalsContact C-N 3.26Å; S560-E562 PolarHBondContact O-N 3.29Å; S560-E563 VanDerWaalsContact CB-OE2 3.28Å; S560-E563 WeakPolarHBondContact CB-OE2 3.23Å; S560-E563 PolarHBondContact N-OE2 3.04Å; S560-E563 PolarHBondContact O-N 2.97Å; S560-E563 WeakPolarHBondContact OG-CB 3.46Å; S560-E563 WeakPolarHBondContact OG-CG 3.21Å; S560-E563 PolarHBondContact OG-N 3.39Å; S560-E563 PolarHBondContact OG-OE2 3.11Å; S560-V564 WeakPolarHBondContact O-CG2 3.36Å; S560-V564 PolarHBondContact O-N 2.89Å
561T65.3Low69.5Low73 Ų7349.3 Ų49.345%0.44827%0.267SS..Hα-helixtrans-60.5-34.6-179.8350000113.5S565T561-S565 PolarHBondContact O-N 3.42Å
562E66.9Low70Confident126 Ų12652.7 Ų52.759%0.58928%0.282SS*.Hα-helixtrans-73-43179-74.164.3-151.800111.2S560 S565 Q566S560-E562 VanDerWaalsContact C-N 3.26Å; S560-E562 PolarHBondContact O-N 3.29Å; E562-S565 WeakPolarHBondContact O-CB 3.49Å; E562-S565 PolarHBondContact O-N 3.29Å; E562-Q566 WeakPolarHBondContact O-CG 3.31Å; E562-Q566 PolarHBondContact O-N 3.47Å; E562-Q566 VanDerWaalsContact O-N 3.14Å
563E68.8Low70.3Confident46 Ų4655.5 Ų55.522%0.21529%0.293CS..Hα-helixtrans-64.3-40.6175.9-71.6163.6148.600111.5H485 L559 S560 S565 Q566 V567H485-E563 IonicContact CD2-OE1 2.69Å; H485-E563 IonicContact NE2-OE1 2.75Å; L559-E563 HydrophobicContact CB-CB 4.5Å; L559-E563 HydrophobicContact CD2-CB 4.26Å; S560-E563 VanDerWaalsContact CB-OE2 3.28Å; S560-E563 WeakPolarHBondContact CB-OE2 3.23Å; S560-E563 PolarHBondContact N-OE2 3.04Å; S560-E563 PolarHBondContact O-N 2.97Å; S560-E563 WeakPolarHBondContact OG-CB 3.46Å; S560-E563 WeakPolarHBondContact OG-CG 3.21Å; S560-E563 PolarHBondContact OG-N 3.39Å; S560-E563 PolarHBondContact OG-OE2 3.11Å; E563-S565 VanDerWaalsContact C-N 3.3Å; E563-S565 PolarHBondContact O-N 3.31Å; E563-Q566 PolarHBondContact O-N 3.18Å; E563-V567 VanDerWaalsContact O-CG2 3.3Å; E563-V567 WeakPolarHBondContact O-CG2 3.47Å; E563-V567 PolarHBondContact O-N 3.26Å
564V71.9Confident70.8Confident0 Ų052.1 Ų52.10%028%0.275CS..Hα-helixtrans-56.7-45174.21620000111.3L559 S560 Q566 V567 V568 V595 A602L559-V564 HydrophobicContact CB-CG2 3.72Å; L559-V564 HydrophobicContact CD1-CG2 4.06Å; S560-V564 WeakPolarHBondContact O-CG2 3.36Å; S560-V564 PolarHBondContact O-N 2.89Å; V564-Q566 PolarHBondContact O-N 3.32Å; V564-V567 PolarHBondContact O-N 3.47Å; V564-V568 WeakPolarHBondContact O-CB 3.42Å; V564-V568 VanDerWaalsContact O-CG2 3.24Å; V564-V568 WeakPolarHBondContact O-CG2 3.32Å; V564-V568 PolarHBondContact O-N 2.83Å; V564-V595 HydrophobicContact CB-CG1 4.21Å; V564-V595 HydrophobicContact CG1-CG1 3.33Å; V564-V595 HydrophobicContact CG2-CG1 4.13Å; V564-A602 HydrophobicContact CG1-CB 3.62Å
565S71.9Confident71.4Confident54 Ų5451.2 Ų51.238%0.37827%0.271SS..Hα-helixtrans-63.3-41.3178.2-170.80000112.1T561 E562 E563 T569T561-S565 PolarHBondContact O-N 3.42Å; E562-S565 WeakPolarHBondContact O-CB 3.49Å; E562-S565 PolarHBondContact O-N 3.29Å; E563-S565 VanDerWaalsContact C-N 3.3Å; E563-S565 PolarHBondContact O-N 3.31Å; S565-T569 WeakPolarHBondContact O-CB 3.37Å; S565-T569 PolarHBondContact O-N 3.21Å; S565-T569 PolarHBondContact O-OG1 2.93Å
566Q71.6Confident71.4Confident79 Ų7954.8 Ų54.837%0.36930%0.296SS..Hα-helixtrans-66-45.2177.8-68.9176.82.700112.2E562 E563 V564 T569 K570E562-Q566 WeakPolarHBondContact O-CG 3.31Å; E562-Q566 PolarHBondContact O-N 3.47Å; E562-Q566 VanDerWaalsContact O-N 3.14Å; E563-Q566 PolarHBondContact O-N 3.18Å; V564-Q566 PolarHBondContact O-N 3.32Å; Q566-T569 PolarHBondContact O-N 3.49Å; Q566-K570 PolarHBondContact O-N 2.74Å
567V76.4Confident71.5Confident1 Ų148.8 Ų48.81%0.00627%0.272CS..Hα-helixtrans-60-49.1177169.80000110.6L551 F554 T555 E563 V564 T569 K570 V571 I591 V595L551-V567 HydrophobicContact CD2-CG1 4.4Å; L551-V567 HydrophobicContact CD2-CG2 4.35Å; F554-V567 HydrophobicContact CD1-CG2 3.62Å; F554-V567 HydrophobicContact CE1-CG2 3.53Å; T555-V567 HydrophobicContact CG2-CG1 3.73Å; E563-V567 VanDerWaalsContact O-CG2 3.3Å; E563-V567 WeakPolarHBondContact O-CG2 3.47Å; E563-V567 PolarHBondContact O-N 3.26Å; V564-V567 PolarHBondContact O-N 3.47Å; V567-T569 VanDerWaalsContact C-N 3.31Å; V567-T569 PolarHBondContact O-N 2.81Å; V567-K570 PolarHBondContact O-N 3.27Å; V567-K570 VanDerWaalsContact O-N 3.15Å; V567-V571 HydrophobicContact CG1-CG2 4.35Å; V567-V571 WeakPolarHBondContact O-CG2 3.35Å; V567-V571 PolarHBondContact O-N 3.23Å; V567-I591 HydrophobicContact CG1-CG2 3.8Å; V567-V595 HydrophobicContact CG1-CG2 4.27Å
568V76.8Confident71.3Confident3 Ų347.8 Ų47.82%0.01828%0.278CS..Hα-helixtrans-65.3-36.2-177.9172.80000111.6V564 V571 Q572 V595 A602 I605 A606V564-V568 WeakPolarHBondContact O-CB 3.42Å; V564-V568 VanDerWaalsContact O-CG2 3.24Å; V564-V568 WeakPolarHBondContact O-CG2 3.32Å; V564-V568 PolarHBondContact O-N 2.83Å; V568-V571 PolarHBondContact O-N 3.04Å; V568-Q572 PolarHBondContact O-N 3.13Å; V568-V595 HydrophobicContact CG2-CG1 3.75Å; V568-A602 HydrophobicContact CB-CB 4.4Å; V568-A602 HydrophobicContact CG2-CB 4.17Å; V568-I605 HydrophobicContact CG1-CB 3.64Å; V568-I605 HydrophobicContact CG1-CG2 3.57Å; V568-A606 HydrophobicContact CG1-CB 3.87Å; V568-A606 HydrophobicContact CG2-CB 4.4Å
569T76.4Confident71.8Confident52 Ų5247.5 Ų47.532%0.31927%0.265SS..Hα-helixtrans-64.1-42.3173.6-54.50000111.3S565 Q566 V567 Q572 E573S565-T569 WeakPolarHBondContact O-CB 3.37Å; S565-T569 PolarHBondContact O-N 3.21Å; S565-T569 PolarHBondContact O-OG1 2.93Å; Q566-T569 PolarHBondContact O-N 3.49Å; V567-T569 VanDerWaalsContact C-N 3.31Å; V567-T569 PolarHBondContact O-N 2.81Å; T569-Q572 WeakPolarHBondContact O-CB 3.42Å; T569-Q572 PolarHBondContact O-N 3.45Å; T569-E573 PolarHBondContact O-N 3.07Å
570K73.9Confident72.5Confident21 Ų2146.9 Ų46.99%0.09126%0.262CS..Hα-helixtrans-68.7-35.5176.2-75-71.2169.1-165.30113.1T535 V537 L551 Q566 V567 Q572 E573 L574T535-K570 PolarHBondContact O-NZ 3.29Å; V537-K570 PolarHBondContact O-NZ 2.86Å; L551-K570 HydrophobicContact CD1-CB 4.26Å; Q566-K570 PolarHBondContact O-N 2.74Å; V567-K570 PolarHBondContact O-N 3.27Å; V567-K570 VanDerWaalsContact O-N 3.15Å; K570-Q572 VanDerWaalsContact C-N 3.28Å; K570-Q572 PolarHBondContact O-N 3Å; K570-E573 WeakPolarHBondContact CD-OE2 3.43Å; K570-E573 IonicContact NZ-OE1 2.86Å; K570-E573 IonicContact NZ-OE2 3.23Å; K570-E573 PolarHBondContact NZ-OE2 2.88Å; K570-E573 WeakPolarHBondContact O-CB 3.27Å; K570-E573 PolarHBondContact O-N 2.93Å; K570-L574 WeakPolarHBondContact O-CB 3.41Å; K570-L574 PolarHBondContact O-N 2.83Å
571V81.9Confident73.2Confident1 Ų149.1 Ų49.11%0.00627%0.27CS..Hα-helixtrans-61.2-40.2170.5171.10000110.7L551 V567 V568 E573 L574 V575 V588 I591 I592 A609L551-V571 HydrophobicContact CD1-CG2 4.34Å; V567-V571 HydrophobicContact CG1-CG2 4.35Å; V567-V571 WeakPolarHBondContact O-CG2 3.35Å; V567-V571 PolarHBondContact O-N 3.23Å; V568-V571 PolarHBondContact O-N 3.04Å; V571-E573 PolarHBondContact O-N 3.24Å; V571-L574 WeakPolarHBondContact O-CB 3.44Å; V571-L574 PolarHBondContact O-N 3.44Å; V571-L574 VanDerWaalsContact O-N 3.17Å; V571-V575 HydrophobicContact CG1-CG2 4.28Å; V571-V575 VanDerWaalsContact O-CG2 3.3Å; V571-V575 WeakPolarHBondContact O-CG2 3.32Å; V571-V575 PolarHBondContact O-N 3.38Å; V571-V588 HydrophobicContact CG1-CG1 3.69Å; V571-I591 HydrophobicContact CG2-CB 4.43Å; V571-I591 HydrophobicContact CG2-CD1 4.21Å; V571-I591 HydrophobicContact CG2-CG2 3.62Å; V571-I592 HydrophobicContact CG1-CD1 4.08Å; V571-I592 HydrophobicContact CG1-CG1 4.3Å; V571-A609 HydrophobicContact CG1-CB 4.19Å
572Q80.2Confident74Confident87 Ų8748.3 Ų48.341%0.40727%0.265SS..Hα-helixtrans-62.7-42.1175-169.6-176.48.400112V568 T569 K570 L574 V575 S576 I605V568-Q572 PolarHBondContact O-N 3.13Å; T569-Q572 WeakPolarHBondContact O-CB 3.42Å; T569-Q572 PolarHBondContact O-N 3.45Å; K570-Q572 VanDerWaalsContact C-N 3.28Å; K570-Q572 PolarHBondContact O-N 3Å; Q572-L574 VanDerWaalsContact C-N 3.31Å; Q572-L574 PolarHBondContact O-N 3.14Å; Q572-V575 PolarHBondContact O-N 2.92Å; Q572-S576 WeakPolarHBondContact O-CB 3.31Å; Q572-S576 PolarHBondContact O-N 3.19Å; Q572-I605 HydrophobicContact CB-CG2 4.17Å; Q572-I605 HydrophobicContact CG-CG2 4.49Å; Q572-I605 VanDerWaalsContact OE1-CG2 3.22Å
573E74.9Confident74.7Confident73 Ų7345.1 Ų45.134%0.34126%0.26SS..Hα-helixtrans-61.9-39.4172.2-69.3176.1-163.800111.5V539 T569 K570 V571 S576V539-E573 HydrophobicContact CG2-CB 4.39Å; T569-E573 PolarHBondContact O-N 3.07Å; K570-E573 WeakPolarHBondContact CD-OE2 3.43Å; K570-E573 IonicContact NZ-OE1 2.86Å; K570-E573 IonicContact NZ-OE2 3.23Å; K570-E573 PolarHBondContact NZ-OE2 2.88Å; K570-E573 WeakPolarHBondContact O-CB 3.27Å; K570-E573 PolarHBondContact O-N 2.93Å; V571-E573 PolarHBondContact O-N 3.24Å; E573-S576 WeakPolarHBondContact O-CB 3.41Å; E573-S576 PolarHBondContact O-N 3.42Å; E573-S576 VanDerWaalsContact O-N 3.15Å; E573-S576 PolarHBondContact O-OG 3.31Å
574L75.7Confident75.3Confident1 Ų143.7 Ų43.71%0.00525%0.254CS..Hα-helixtrans-66.2-40.7178.9-165.3146.6000112.5V539 V547 A548 K570 V571 Q572 S576 V577 V584 V588V539-L574 HydrophobicContact CG1-CB 4.41Å; V539-L574 HydrophobicContact CG1-CG 4.28Å; V547-L574 HydrophobicContact CB-CD1 4.08Å; V547-L574 HydrophobicContact CG1-CD1 3.89Å; A548-L574 HydrophobicContact CB-CD1 3.84Å; A548-L574 HydrophobicContact CB-CD2 4.25Å; K570-L574 WeakPolarHBondContact O-CB 3.41Å; K570-L574 PolarHBondContact O-N 2.83Å; V571-L574 WeakPolarHBondContact O-CB 3.44Å; V571-L574 PolarHBondContact O-N 3.44Å; V571-L574 VanDerWaalsContact O-N 3.17Å; Q572-L574 VanDerWaalsContact C-N 3.31Å; Q572-L574 PolarHBondContact O-N 3.14Å; L574-S576 PolarHBondContact O-N 3.29Å; L574-V577 WeakPolarHBondContact O-CB 3.31Å; L574-V577 VanDerWaalsContact O-CG2 3.3Å; L574-V577 WeakPolarHBondContact O-CG2 3.27Å; L574-V577 PolarHBondContact O-N 3.43Å; L574-V584 HydrophobicContact CD2-CG1 3.87Å; L574-V588 HydrophobicContact CD2-CG2 3.6Å
575V78.2Confident76Confident2 Ų243.7 Ų43.71%0.01225%0.254CS..Hα-helixtrans-75.4-15.9175.6179.30000111.8V571 Q572 V577 I580 V588 A609 E612 L613 K616V571-V575 HydrophobicContact CG1-CG2 4.28Å; V571-V575 VanDerWaalsContact O-CG2 3.3Å; V571-V575 WeakPolarHBondContact O-CG2 3.32Å; V571-V575 PolarHBondContact O-N 3.38Å; Q572-V575 PolarHBondContact O-N 2.92Å; V575-V577 PolarHBondContact O-N 3.05Å; V575-I580 HydrophobicContact CB-CD1 4.37Å; V575-I580 HydrophobicContact CG1-CD1 4.08Å; V575-V588 HydrophobicContact CG2-CG1 3.97Å; V575-V588 HydrophobicContact CG2-CG2 4.44Å; V575-A609 WeakPolarHBondContact CG1-O 3.39Å; V575-E612 HydrophobicContact CG1-CB 3.63Å; V575-L613 HydrophobicContact CG1-CB 3.91Å; V575-L613 VanDerWaalsContact CG1-N 3.27Å; V575-L613 HydrophobicContact CG2-CB 4.23Å; V575-L613 HydrophobicContact CG2-CD1 4.41Å; V575-K616 WeakPolarHBondContact O-CD 3.45Å; V575-K616 PolarHBondContact O-NZ 2.88Å
576S71.4Confident76.7Confident81 Ų8145.6 Ų45.657%0.56626%0.258SS*.Hα-helixtrans-71.4-17.117682.90000113.6Q572 E573 L574 K616Q572-S576 WeakPolarHBondContact O-CB 3.31Å; Q572-S576 PolarHBondContact O-N 3.19Å; E573-S576 WeakPolarHBondContact O-CB 3.41Å; E573-S576 PolarHBondContact O-N 3.42Å; E573-S576 VanDerWaalsContact O-N 3.15Å; E573-S576 PolarHBondContact O-OG 3.31Å; L574-S576 PolarHBondContact O-N 3.29Å; S576-K616 VanDerWaalsContact C-NZ 3.26Å; S576-K616 PolarHBondContact O-NZ 2.95Å
577V69.9Low77.2Confident18 Ų1843.2 Ų43.211%0.10925%0.25CC..SBendtrans-59.6155.9176.1-175.60000111.5V539 V541 L574 V575 K616V539-V577 HydrophobicContact CG1-CG2 3.93Å; V541-V577 HydrophobicContact CB-CG1 4.28Å; V541-V577 HydrophobicContact CG2-CG1 3.63Å; L574-V577 WeakPolarHBondContact O-CB 3.31Å; L574-V577 VanDerWaalsContact O-CG2 3.3Å; L574-V577 WeakPolarHBondContact O-CG2 3.27Å; L574-V577 PolarHBondContact O-N 3.43Å; V575-V577 PolarHBondContact O-N 3.05Å; V577-K616 PolarHBondContact O-NZ 3.02Å
578A55.6Low77.7Confident83 Ų8343.2 Ų43.269%0.68625%0.249SC*.SBendtrans-72.3-29.6-166.200000115.5
579K67.2Low78.3Confident128 Ų12843 Ų4356%0.55725%0.249SC*.  trans-144.4139.8-178.3-68.8174.4163.3-104.40109.6E618K579-E618 WeakPolarHBondContact CD-OE1 3.5Å; K579-E618 WeakPolarHBondContact CE-OE1 3.5Å; K579-E618 WeakPolarHBondContact CG-OE1 3.28Å; K579-E618 IonicContact NZ-OE1 3.64Å; K579-E618 PolarHBondContact NZ-OE1 2.68Å; K579-E618 IonicContact NZ-OE2 3.93Å
580I79.1Confident78.8Confident5 Ų544.2 Ų44.23%0.02625%0.25CS..BIsolated β-bridgetrans-133.6118.5-176.6-55.6175.7000109.2V575 V584 A585 L613 K616 V617 E618V575-I580 HydrophobicContact CB-CD1 4.37Å; V575-I580 HydrophobicContact CG1-CD1 4.08Å; I580-V584 HydrophobicContact CG2-CB 3.79Å; I580-V584 HydrophobicContact CG2-CG1 3.8Å; I580-A585 HydrophobicContact CG2-CB 4.22Å; I580-L613 HydrophobicContact CB-CD1 4.38Å; I580-L613 HydrophobicContact CD1-CD1 3.66Å; I580-L613 HydrophobicContact CG2-CD1 3.74Å; I580-K616 HydrophobicContact CD1-CB 4.18Å; I580-K616 HydrophobicContact CD1-CD 4.46Å; I580-K616 HydrophobicContact CG1-CB 4.46Å; I580-V617 CarbonylContact O-C 3.51Å; I580-V617 WeakPolarHBondContact O-CA 3.47Å; I580-E618 PolarHBondContact O-N 2.85Å
581D82.7Confident79.3Confident97 Ų9743.3 Ų43.352%0.51925%0.246SC..  trans-75.6162.3175.7-61.7-25.2000111.6A583 V584 A585D581-A583 VanDerWaalsContact C-N 3.31Å; D581-A583 PolarHBondContact O-N 2.98Å; D581-V584 PolarHBondContact O-N 2.95Å; D581-V584 VanDerWaalsContact O-N 3.14Å; D581-A585 PolarHBondContact O-N 3.32Å
582T83.4Confident79.5Confident56 Ų5643.4 Ų43.434%0.34425%0.247SC..Hα-helixtrans-56.2-39.7-179.253.20000113.5V584 A585 E586 E618 F619 V624T582-V584 PolarHBondContact O-N 2.87Å; T582-A585 PolarHBondContact O-N 3.44Å; T582-E586 WeakPolarHBondContact O-CG 3.39Å; T582-E586 PolarHBondContact O-N 3.46Å; T582-E618 VanDerWaalsContact CG2-O 3.31Å; T582-E618 WeakPolarHBondContact CG2-O 3.5Å; T582-F619 HydrophobicContact CG2-CB 4.18Å; T582-V624 HydrophobicContact CG2-CG2 4.1Å
583A81Confident79.8Confident59 Ų5939.3 Ų39.349%0.48823%0.228SC..Hα-helixtrans-65.6-36.6178.800000113.3D581 S587D581-A583 VanDerWaalsContact C-N 3.31Å; D581-A583 PolarHBondContact O-N 2.98Å; A583-S587 PolarHBondContact O-N 3.01Å; A583-S587 PolarHBondContact O-OG 3.11Å; A583-S587 VanDerWaalsContact O-OG 3.05Å
584V82.3Confident80.2Confident16 Ų1638 Ų3810%0.09722%0.223CC..Hα-helixtrans-71.2-40.7175.2-178.20000109.5A545 A548 L574 I580 D581 T582 S587 V588A545-V584 HydrophobicContact CB-CG2 3.93Å; A548-V584 HydrophobicContact CB-CG1 4.16Å; L574-V584 HydrophobicContact CD2-CG1 3.87Å; I580-V584 HydrophobicContact CG2-CB 3.79Å; I580-V584 HydrophobicContact CG2-CG1 3.8Å; D581-V584 PolarHBondContact O-N 2.95Å; D581-V584 VanDerWaalsContact O-N 3.14Å; T582-V584 PolarHBondContact O-N 2.87Å; V584-S587 PolarHBondContact O-N 3.4Å; V584-V588 WeakPolarHBondContact O-CG2 2.92Å; V584-V588 PolarHBondContact O-N 3.02Å
585A85.8Confident80.3Confident0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-63.6-40.5176.500000112.6I580 D581 T582 V588 V589 L613 V617 I626I580-A585 HydrophobicContact CG2-CB 4.22Å; D581-A585 PolarHBondContact O-N 3.32Å; T582-A585 PolarHBondContact O-N 3.44Å; A585-V588 PolarHBondContact O-N 2.85Å; A585-V589 WeakPolarHBondContact O-CG2 3.44Å; A585-V589 PolarHBondContact O-N 3.43Å; A585-L613 HydrophobicContact CB-CD1 3.82Å; A585-L613 HydrophobicContact CB-CD2 4.24Å; A585-L613 HydrophobicContact CB-CG 4.28Å; A585-V617 HydrophobicContact CB-CB 4.4Å; A585-V617 HydrophobicContact CB-CG2 3.71Å; A585-I626 HydrophobicContact CB-CD1 3.48Å; A585-I626 VanDerWaalsContact CB-CD1 3.48Å
586E86.5Confident79.9Confident95 Ų9538.1 Ų38.144%0.44422%0.224SC..Hα-helixtrans-57.3-48.2171.4-80.2176.8-179.300111.6T582 V588 V589 H590 I626T582-E586 WeakPolarHBondContact O-CG 3.39Å; T582-E586 PolarHBondContact O-N 3.46Å; E586-V588 VanDerWaalsContact C-N 3.35Å; E586-V588 PolarHBondContact O-N 2.77Å; E586-V589 PolarHBondContact O-N 3.42Å; E586-H590 PolarHBondContact O-CD2 3.08Å; E586-H590 VanDerWaalsContact O-CD2 3.24Å; E586-H590 PolarHBondContact O-N 3.48Å; E586-I626 HydrophobicContact CB-CG2 4.38Å; E586-I626 HydrophobicContact CG-CG1 4.42Å; E586-I626 HydrophobicContact CG-CG2 3.88Å
587S83.1Confident79.4Confident29 Ų2939 Ų3920%0.20323%0.226CC..Hα-helixtrans-60.5-43.7178.3-61.30000111.8A583 V584 H590 I591A583-S587 PolarHBondContact O-N 3.01Å; A583-S587 PolarHBondContact O-OG 3.11Å; A583-S587 VanDerWaalsContact O-OG 3.05Å; V584-S587 PolarHBondContact O-N 3.4Å; S587-H590 PolarHBondContact O-N 2.7Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.38Å; S587-I591 PolarHBondContact O-N 3.08Å
588V86.9Confident78.9Confident0 Ų040.4 Ų40.40%024%0.236CC..Hα-helixtrans-64.4-43.9177.1174.80000112.2V571 L574 V575 V584 A585 E586 H590 I591 I592 L613V571-V588 HydrophobicContact CG1-CG1 3.69Å; L574-V588 HydrophobicContact CD2-CG2 3.6Å; V575-V588 HydrophobicContact CG2-CG1 3.97Å; V575-V588 HydrophobicContact CG2-CG2 4.44Å; V584-V588 WeakPolarHBondContact O-CG2 2.92Å; V584-V588 PolarHBondContact O-N 3.02Å; A585-V588 PolarHBondContact O-N 2.85Å; E586-V588 VanDerWaalsContact C-N 3.35Å; E586-V588 PolarHBondContact O-N 2.77Å; V588-H590 VanDerWaalsContact C-N 3.31Å; V588-H590 PolarHBondContact O-N 2.92Å; V588-I591 WeakPolarHBondContact O-CB 3.46Å; V588-I591 PolarHBondContact O-N 3.05Å; V588-I592 HydrophobicContact CG1-CD1 3.85Å; V588-I592 HydrophobicContact CG1-CG1 4.47Å; V588-I592 WeakPolarHBondContact O-CG1 3.37Å; V588-I592 PolarHBondContact O-N 3.48Å; V588-L613 HydrophobicContact CB-CD2 3.91Å; V588-L613 HydrophobicContact CG1-CD2 3.73Å
589V88.4Confident79Confident0 Ų037.3 Ų37.30%021%0.209CC..Hα-helixtrans-62.9-39.6176.9169.20000110.7A585 E586 I592 S593 L613 I626 S628 L631 L633A585-V589 WeakPolarHBondContact O-CG2 3.44Å; A585-V589 PolarHBondContact O-N 3.43Å; E586-V589 PolarHBondContact O-N 3.42Å; V589-I592 PolarHBondContact O-N 2.74Å; V589-S593 VanDerWaalsContact O-CB 3.23Å; V589-S593 WeakPolarHBondContact O-CB 3.4Å; V589-S593 PolarHBondContact O-N 2.98Å; V589-L613 HydrophobicContact CG2-CD2 3.85Å; V589-I626 HydrophobicContact CB-CG2 3.71Å; V589-I626 HydrophobicContact CG1-CG2 3.93Å; V589-I626 HydrophobicContact CG2-CG2 3.69Å; V589-S628 WeakPolarHBondContact CG1-OG 3.46Å; V589-L631 HydrophobicContact CG1-CB 4.34Å; V589-L631 HydrophobicContact CG1-CD2 4.04Å; V589-L631 HydrophobicContact CG1-CG 4.07Å; V589-L633 HydrophobicContact CG2-CD2 4.29Å
590H86.4Confident78.6Confident77 Ų7737.2 Ų37.236%0.35621%0.211SC..Hα-helixtrans-64.3-43.1173.4-85.4-67.3000113.3E586 S587 V588 I592 S593 N594E586-H590 PolarHBondContact O-CD2 3.08Å; E586-H590 VanDerWaalsContact O-CD2 3.24Å; E586-H590 PolarHBondContact O-N 3.48Å; S587-H590 PolarHBondContact O-N 2.7Å; V588-H590 VanDerWaalsContact C-N 3.31Å; V588-H590 PolarHBondContact O-N 2.92Å; H590-I592 PolarHBondContact O-N 3.36Å; H590-S593 PolarHBondContact O-N 3.23Å; H590-N594 VanDerWaalsContact O-CG 3.23Å; H590-N594 PolarHBondContact O-N 3.33Å; H590-N594 PolarHBondContact O-ND2 3.25Å
591I85.4Confident77.5Confident1 Ų146.7 Ų46.71%0.00525%0.252CS..Hα-helixtrans-56-53.4174.5-68.9160.4000109.8A548 L551 A552 T555 V567 V571 S587 V588 S593 N594 V595A548-I591 WeakPolarHBondContact O-CD1 3.38Å; L551-I591 HydrophobicContact CB-CD1 3.52Å; L551-I591 HydrophobicContact CB-CG1 4.09Å; A552-I591 HydrophobicContact CB-CD1 4.31Å; A552-I591 HydrophobicContact CB-CG1 3.77Å; T555-I591 HydrophobicContact CG2-CG2 3.84Å; V567-I591 HydrophobicContact CG1-CG2 3.8Å; V571-I591 HydrophobicContact CG2-CB 4.43Å; V571-I591 HydrophobicContact CG2-CD1 4.21Å; V571-I591 HydrophobicContact CG2-CG2 3.62Å; S587-I591 VanDerWaalsContact O-CG1 3.24Å; S587-I591 WeakPolarHBondContact O-CG1 3.38Å; S587-I591 PolarHBondContact O-N 3.08Å; V588-I591 WeakPolarHBondContact O-CB 3.46Å; V588-I591 PolarHBondContact O-N 3.05Å; I591-S593 VanDerWaalsContact C-N 3.32Å; I591-S593 PolarHBondContact O-N 3.46Å; I591-N594 PolarHBondContact O-N 3.32Å; I591-V595 HydrophobicContact CG2-CG2 4.44Å; I591-V595 WeakPolarHBondContact O-CG2 3.47Å; I591-V595 PolarHBondContact O-N 2.8Å
592I85.7Confident76.5Confident4 Ų442.3 Ų42.32%0.02123%0.229CC..Hα-helixtrans-61.9-45.6-177.1-66.9173.3000109.2V571 V588 V589 H590 N594 V595 M596 A606 A609 V610 L631V571-I592 HydrophobicContact CG1-CD1 4.08Å; V571-I592 HydrophobicContact CG1-CG1 4.3Å; V588-I592 HydrophobicContact CG1-CD1 3.85Å; V588-I592 HydrophobicContact CG1-CG1 4.47Å; V588-I592 WeakPolarHBondContact O-CG1 3.37Å; V588-I592 PolarHBondContact O-N 3.48Å; V589-I592 PolarHBondContact O-N 2.74Å; H590-I592 PolarHBondContact O-N 3.36Å; I592-N594 VanDerWaalsContact C-N 3.29Å; I592-N594 PolarHBondContact O-N 2.61Å; I592-V595 PolarHBondContact O-N 3.32Å; I592-V595 VanDerWaalsContact O-N 3.1Å; I592-M596 HydrophobicContact CG2-CG 4.28Å; I592-M596 WeakPolarHBondContact O-CG 3.38Å; I592-M596 PolarHBondContact O-N 3.02Å; I592-A606 HydrophobicContact CG2-CB 4.4Å; I592-A609 HydrophobicContact CD1-CB 4.41Å; I592-V610 HydrophobicContact CB-CG2 4.48Å; I592-V610 HydrophobicContact CD1-CG2 3.39Å; I592-V610 HydrophobicContact CG1-CG2 4.47Å; I592-V610 HydrophobicContact CG2-CG2 3.9Å; I592-L631 HydrophobicContact CG2-CD2 4.28Å
593S86.9Confident76Confident1 Ų139.8 Ų39.81%0.00721%0.214CC..Hα-helixtrans-53.1-41.4175.5171.80000113.9V589 H590 I591 S628 N630V589-S593 VanDerWaalsContact O-CB 3.23Å; V589-S593 WeakPolarHBondContact O-CB 3.4Å; V589-S593 PolarHBondContact O-N 2.98Å; H590-S593 PolarHBondContact O-N 3.23Å; I591-S593 VanDerWaalsContact C-N 3.32Å; I591-S593 PolarHBondContact O-N 3.46Å; S593-S628 WeakPolarHBondContact CB-OG 3.06Å; S593-S628 PolarHBondContact OG-OG 3.08Å; S593-N630 PolarHBondContact O-ND2 3.48Å; S593-N630 WeakPolarHBondContact OG-CB 3.49Å; S593-N630 PolarHBondContact OG-N 2.74Å; S593-N630 VanDerWaalsContact OG-N 3.11Å
594N82.9Confident75.7Confident45 Ų4537.8 Ų37.824%0.24120%0.195CC..Hα-helixtrans-71.5-41.1177.9-67.6-18.6000112T555 H590 I591 I592 M596T555-N594 VanDerWaalsContact O-CB 3.31Å; T555-N594 WeakPolarHBondContact O-CB 3.35Å; T555-N594 PolarHBondContact OG1-ND2 2.87Å; H590-N594 VanDerWaalsContact O-CG 3.23Å; H590-N594 PolarHBondContact O-N 3.33Å; H590-N594 PolarHBondContact O-ND2 3.25Å; I591-N594 PolarHBondContact O-N 3.32Å; I592-N594 VanDerWaalsContact C-N 3.29Å; I592-N594 PolarHBondContact O-N 2.61Å; N594-M596 VanDerWaalsContact C-N 3.3Å; N594-M596 PolarHBondContact O-N 2.88Å
595V77.7Confident75.4Confident4 Ų439.6 Ų39.62%0.02420%0.204CC..Hα-helixtrans-70.8-25.1-179.6176.90000112.8T555 L559 V564 V567 V568 I591 I592 V597 S598T555-V595 HydrophobicContact CG2-CG2 3.69Å; L559-V595 HydrophobicContact CD1-CG2 4.25Å; V564-V595 HydrophobicContact CB-CG1 4.21Å; V564-V595 HydrophobicContact CG1-CG1 3.33Å; V564-V595 HydrophobicContact CG2-CG1 4.13Å; V567-V595 HydrophobicContact CG1-CG2 4.27Å; V568-V595 HydrophobicContact CG2-CG1 3.75Å; I591-V595 HydrophobicContact CG2-CG2 4.44Å; I591-V595 WeakPolarHBondContact O-CG2 3.47Å; I591-V595 PolarHBondContact O-N 2.8Å; I592-V595 PolarHBondContact O-N 3.32Å; I592-V595 VanDerWaalsContact O-N 3.1Å; V595-V597 PolarHBondContact O-N 3.14Å; V595-S598 PolarHBondContact O-N 3.46Å
596M69.4Low75.2Confident1 Ų139.7 Ų39.71%0.00520%0.204CC..THydrogen-bonded Turntrans-55.9-20.2-179.4-65.6-152.5-93.300114.4I592 N594 N630 L631 F701 S705 L706I592-M596 HydrophobicContact CG2-CG 4.28Å; I592-M596 WeakPolarHBondContact O-CG 3.38Å; I592-M596 PolarHBondContact O-N 3.02Å; N594-M596 VanDerWaalsContact C-N 3.3Å; N594-M596 PolarHBondContact O-N 2.88Å; M596-N630 VanDerWaalsContact CE-C 3.47Å; M596-N630 HydrophobicContact CE-CB 3.34Å; M596-N630 WeakPolarHBondContact CE-O 3.28Å; M596-L631 HydrophobicContact CE-CB 3.51Å; M596-F701 HydrophobicContact CE-CD1 4.4Å; M596-F701 HydrophobicContact SD-CD1 3.84Å; M596-F701 HydrophobicContact SD-CE1 4.29Å; M596-S705 WeakPolarHBondContact O-CB 3.25Å; M596-L706 HydrophobicContact CB-CD2 4.15Å; M596-L706 HydrophobicContact CB-CG 3.96Å; M596-L706 HydrophobicContact CG-CD1 3.54Å; M596-L706 HydrophobicContact CG-CD2 3.84Å; M596-L706 HydrophobicContact CG-CG 3.48Å; M596-L706 VanDerWaalsContact CG-CG 3.48Å; M596-L706 HydrophobicContact SD-CD1 3.28Å; M596-L706 WeakPolarHBondContact SD-CD1 3.48Å; M596-L706 HydrophobicContact SD-CG 3.55Å; M596-L706 VanDerWaalsContact SD-CG 3.55Å
597V61.5Low75.1Confident100 Ų10035.2 Ų35.261%0.60618%0.183SC*.THydrogen-bonded Turntrans-85-19.1-178.4-173.10000112.5V595V595-V597 PolarHBondContact O-N 3.14Å
598S59.2Low75Confident47 Ų4738.5 Ų38.533%0.32919%0.194SC..THydrogen-bonded Turntrans-108-17.8-155.6-54.40000116.3V595V595-S598 PolarHBondContact O-N 3.46Å
599S58.3Low74.9Confident18 Ų1838.5 Ų38.513%0.12619%0.194CC..  trans-162.9133.5-180-175.30000115K601S599-K601 PolarHBondContact OG-N 2.9Å
600E57.8Low74.8Confident127 Ų12738.5 Ų38.559%0.59319%0.194SC*.SBendtrans-75.8-25.6175-65.4-177.9169.300113.2S603E600-S603 WeakPolarHBondContact O-CB 3.41Å
601K56.8Low74.7Confident204 Ų20436.2 Ų36.289%0.88718%0.184SC*.THydrogen-bonded Turntrans-77.2-24.1-173.8-73.2-177.5-180175.40114.7S599 S603S599-K601 PolarHBondContact OG-N 2.9Å; K601-S603 VanDerWaalsContact C-N 3.31Å
602A61.2Low74.7Confident4 Ų439.7 Ų39.73%0.03320%0.201CC..THydrogen-bonded Turntrans-89.43.7-179.600000113.4V564 V568 A606V564-A602 HydrophobicContact CG1-CB 3.62Å; V568-A602 HydrophobicContact CB-CB 4.4Å; V568-A602 HydrophobicContact CG2-CB 4.17Å; A602-A606 PolarHBondContact O-N 3.25Å
603S72Confident74.8Confident4 Ų439.5 Ų39.53%0.02820%0.2CC..Hα-helixtrans-63.5-51.1-168.4171.40000114.7E600 K601 I605 A606 L607 L706E600-S603 WeakPolarHBondContact O-CB 3.41Å; K601-S603 VanDerWaalsContact C-N 3.31Å; S603-I605 VanDerWaalsContact C-N 3.26Å; S603-I605 PolarHBondContact O-N 3.02Å; S603-A606 WeakPolarHBondContact O-CB 3.48Å; S603-A606 PolarHBondContact O-N 2.84Å; S603-A606 VanDerWaalsContact O-N 3.11Å; S603-L607 WeakPolarHBondContact O-CG 3.42Å; S603-L607 PolarHBondContact O-N 2.83Å; S603-L706 WeakPolarHBondContact CB-O 3.39Å; S603-L706 PolarHBondContact OG-O 3.36Å
604N75.4Confident74.7Confident16 Ų1639.4 Ų39.49%0.08620%0.199CC..Hα-helixtrans-64.5-31.9-175.2-85.7-8.2000113.4K608 W757 G764 D765 G766N604-K608 WeakPolarHBondContact O-CB 3.46Å; N604-K608 VanDerWaalsContact O-CG 3.26Å; N604-K608 WeakPolarHBondContact O-CG 3.35Å; N604-K608 PolarHBondContact O-N 2.81Å; N604-K608 VanDerWaalsContact O-N 3.12Å; N604-W757 PolarHBondContact OD1-NE1 3Å; N604-G764 PolarHBondContact ND2-O 3.32Å; N604-D765 VanDerWaalsContact ND2-CA 3.34Å; N604-D765 WeakPolarHBondContact ND2-CA 3.25Å; N604-D765 PolarHBondContact ND2-O 3.25Å; N604-G766 PolarHBondContact ND2-N 3.03Å; N604-G766 VanDerWaalsContact ND2-N 3.15Å
605I77Confident74.5Confident55 Ų5540.4 Ų40.428%0.28220%0.202SC..Hα-helixtrans-70.3-43.5176.6-55.8176.3000109.3V568 Q572 S603 K608 A609V568-I605 HydrophobicContact CG1-CB 3.64Å; V568-I605 HydrophobicContact CG1-CG2 3.57Å; Q572-I605 HydrophobicContact CB-CG2 4.17Å; Q572-I605 HydrophobicContact CG-CG2 4.49Å; Q572-I605 VanDerWaalsContact OE1-CG2 3.22Å; S603-I605 VanDerWaalsContact C-N 3.26Å; S603-I605 PolarHBondContact O-N 3.02Å; I605-K608 PolarHBondContact O-N 3.33Å; I605-A609 WeakPolarHBondContact O-CB 3.48Å; I605-A609 PolarHBondContact O-N 2.94Å
606A81.3Confident74.7Confident2 Ų242.8 Ų42.82%0.01721%0.211CC..Hα-helixtrans-62-47176.300000112V568 I592 A602 S603 K608 A609 V610V568-A606 HydrophobicContact CG1-CB 3.87Å; V568-A606 HydrophobicContact CG2-CB 4.4Å; I592-A606 HydrophobicContact CG2-CB 4.4Å; A602-A606 PolarHBondContact O-N 3.25Å; S603-A606 WeakPolarHBondContact O-CB 3.48Å; S603-A606 PolarHBondContact O-N 2.84Å; S603-A606 VanDerWaalsContact O-N 3.11Å; A606-K608 PolarHBondContact O-N 2.86Å; A606-A609 WeakPolarHBondContact O-CB 3.3Å; A606-A609 PolarHBondContact O-N 3.39Å; A606-A609 VanDerWaalsContact O-N 3.13Å; A606-V610 WeakPolarHBondContact O-CG2 3.34Å; A606-V610 PolarHBondContact O-N 3.4Å
607L83.3Confident75.5Confident1 Ų142.8 Ų42.81%0.00521%0.211CC..Hα-helixtrans-59.8-45.5178.2-68.8173.3000111.9S603 A609 V610 D611 F701 L706 F707 F759S603-L607 WeakPolarHBondContact O-CG 3.42Å; S603-L607 PolarHBondContact O-N 2.83Å; L607-A609 VanDerWaalsContact C-N 3.29Å; L607-A609 PolarHBondContact O-N 2.84Å; L607-V610 PolarHBondContact O-N 3.42Å; L607-D611 PolarHBondContact O-N 3.4Å; L607-F701 HydrophobicContact CD2-CE1 3.86Å; L607-F701 HydrophobicContact CD2-CZ 3.75Å; L607-L706 HydrophobicContact CD2-CD1 3.93Å; L607-L706 HydrophobicContact CG-CD1 4.38Å; L607-F707 HydrophobicContact CD1-CD1 4.16Å; L607-F707 HydrophobicContact CD1-CE1 3.58Å; L607-F707 HydrophobicContact CD1-CZ 4.1Å; L607-F707 HydrophobicContact CD2-CE1 3.91Å; L607-F707 HydrophobicContact CD2-CE2 4.36Å; L607-F707 HydrophobicContact CD2-CZ 3.54Å; L607-F707 HydrophobicContact CG-CE1 4.41Å; L607-F707 HydrophobicContact CG-CZ 4.47Å; L607-F759 HydrophobicContact CB-CE1 4Å; L607-F759 HydrophobicContact CB-CZ 4.2Å; L607-F759 HydrophobicContact CD1-CE1 4.18Å
608K82.3Confident76.6Confident97 Ų9741.6 Ų41.642%0.42220%0.2SC..Hα-helixtrans-63-35.8175.2-74.2174.7-178177.30112.5N604 I605 A606 D611 E612 F759N604-K608 WeakPolarHBondContact O-CB 3.46Å; N604-K608 VanDerWaalsContact O-CG 3.26Å; N604-K608 WeakPolarHBondContact O-CG 3.35Å; N604-K608 PolarHBondContact O-N 2.81Å; N604-K608 VanDerWaalsContact O-N 3.12Å; I605-K608 PolarHBondContact O-N 3.33Å; A606-K608 PolarHBondContact O-N 2.86Å; K608-D611 PolarHBondContact O-N 3.43Å; K608-E612 WeakPolarHBondContact O-CB 3.41Å; K608-E612 WeakPolarHBondContact O-CG 3.2Å; K608-E612 PolarHBondContact O-N 3.33Å; K608-F759 HydrophobicContact CG-CE1 4.4Å
609A84.3Confident77.9Confident1 Ų140.6 Ų40.61%0.00819%0.189CC..Hα-helixtrans-67.3-39.6176.300000111.9V571 V575 I592 I605 A606 L607 E612 L613V571-A609 HydrophobicContact CG1-CB 4.19Å; V575-A609 WeakPolarHBondContact CG1-O 3.39Å; I592-A609 HydrophobicContact CD1-CB 4.41Å; I605-A609 WeakPolarHBondContact O-CB 3.48Å; I605-A609 PolarHBondContact O-N 2.94Å; A606-A609 WeakPolarHBondContact O-CB 3.3Å; A606-A609 PolarHBondContact O-N 3.39Å; A606-A609 VanDerWaalsContact O-N 3.13Å; L607-A609 VanDerWaalsContact C-N 3.29Å; L607-A609 PolarHBondContact O-N 2.84Å; A609-E612 PolarHBondContact O-N 2.84Å; A609-L613 VanDerWaalsContact O-CB 3.3Å; A609-L613 WeakPolarHBondContact O-CB 3.49Å; A609-L613 PolarHBondContact O-N 3.1Å
610V86.6Confident78.9Confident0 Ų048.1 Ų48.10%023%0.228CC..Hα-helixtrans-64.9-42.5173.6-172.40000111.2I592 A606 L607 E612 L613 A614 L631 M699I592-V610 HydrophobicContact CB-CG2 4.48Å; I592-V610 HydrophobicContact CD1-CG2 3.39Å; I592-V610 HydrophobicContact CG1-CG2 4.47Å; I592-V610 HydrophobicContact CG2-CG2 3.9Å; A606-V610 WeakPolarHBondContact O-CG2 3.34Å; A606-V610 PolarHBondContact O-N 3.4Å; L607-V610 PolarHBondContact O-N 3.42Å; V610-E612 PolarHBondContact O-N 2.94Å; V610-L613 WeakPolarHBondContact O-CB 3.46Å; V610-L613 PolarHBondContact O-N 3.27Å; V610-A614 WeakPolarHBondContact O-CB 3.14Å; V610-A614 PolarHBondContact O-N 2.81Å; V610-L631 HydrophobicContact CG1-CD2 4.1Å; V610-L631 HydrophobicContact CG2-CD2 3.93Å; V610-M699 HydrophobicContact CB-SD 4.3Å; V610-M699 HydrophobicContact CG1-CE 3.83Å; V610-M699 HydrophobicContact CG1-SD 3.54Å; V610-M699 VanDerWaalsContact CG1-SD 3.54Å
611D83.8Confident80Confident28 Ų2844.8 Ų44.815%0.1523%0.228CC..Hα-helixtrans-59.6-45.3176.2-88.2-17000112.3L607 K608 K615 M699 H793L607-D611 PolarHBondContact O-N 3.4Å; K608-D611 PolarHBondContact O-N 3.43Å; D611-K615 VanDerWaalsContact O-CG 3.29Å; D611-K615 WeakPolarHBondContact O-CG 3.3Å; D611-K615 PolarHBondContact O-N 3.01Å; D611-M699 WeakPolarHBondContact OD1-CE 3.41Å; D611-H793 IonicContact OD1-CE1 3.39Å; D611-H793 IonicContact OD1-NE2 3.4Å; D611-H793 IonicContact OD2-CE1 3.71Å; D611-H793 PolarHBondContact OD2-CE1 3.19Å; D611-H793 VanDerWaalsContact OD2-CE1 3.31Å
612E85.4Confident81.2Confident74 Ų7438.6 Ų38.635%0.34622%0.215SC..Hα-helixtrans-68.6-34.5176.6-75.4-60.5129.800112.4V575 K608 A609 V610 K615 K616V575-E612 HydrophobicContact CG1-CB 3.63Å; K608-E612 WeakPolarHBondContact O-CB 3.41Å; K608-E612 WeakPolarHBondContact O-CG 3.2Å; K608-E612 PolarHBondContact O-N 3.33Å; A609-E612 PolarHBondContact O-N 2.84Å; V610-E612 PolarHBondContact O-N 2.94Å; E612-K615 PolarHBondContact O-N 2.86Å; E612-K615 IonicContact OE1-NZ 3.76Å; E612-K615 PolarHBondContact OE1-NZ 2.84Å; E612-K616 WeakPolarHBondContact O-CG 3.39Å; E612-K616 PolarHBondContact O-N 2.91Å
613L87.3Confident82.4Confident0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-63.2-48.2175.7176.767.2000110.9V575 I580 A585 V588 V589 A609 V610 K615 K616 V617V575-L613 HydrophobicContact CG1-CB 3.91Å; V575-L613 VanDerWaalsContact CG1-N 3.27Å; V575-L613 HydrophobicContact CG2-CB 4.23Å; V575-L613 HydrophobicContact CG2-CD1 4.41Å; I580-L613 HydrophobicContact CB-CD1 4.38Å; I580-L613 HydrophobicContact CD1-CD1 3.66Å; I580-L613 HydrophobicContact CG2-CD1 3.74Å; A585-L613 HydrophobicContact CB-CD1 3.82Å; A585-L613 HydrophobicContact CB-CD2 4.24Å; A585-L613 HydrophobicContact CB-CG 4.28Å; V588-L613 HydrophobicContact CB-CD2 3.91Å; V588-L613 HydrophobicContact CG1-CD2 3.73Å; V589-L613 HydrophobicContact CG2-CD2 3.85Å; A609-L613 VanDerWaalsContact O-CB 3.3Å; A609-L613 WeakPolarHBondContact O-CB 3.49Å; A609-L613 PolarHBondContact O-N 3.1Å; V610-L613 WeakPolarHBondContact O-CB 3.46Å; V610-L613 PolarHBondContact O-N 3.27Å; L613-K615 PolarHBondContact O-N 2.63Å; L613-K616 PolarHBondContact O-N 2.91Å; L613-V617 PolarHBondContact O-N 2.86Å
614A84.9Confident83.2Confident0 Ų041.1 Ų41.10%023%0.231CC..Hα-helixtrans-59.5-32179.900000112.5V610 L633 V635 N697 M699V610-A614 WeakPolarHBondContact O-CB 3.14Å; V610-A614 PolarHBondContact O-N 2.81Å; A614-L633 HydrophobicContact CB-CD1 3.75Å; A614-L633 HydrophobicContact CB-CD2 4.2Å; A614-V635 HydrophobicContact CB-CG2 4.41Å; A614-N697 HydrophobicContact CB-CB 4.24Å; A614-M699 HydrophobicContact CB-CE 3.79Å
615K79.8Confident83.9Confident66 Ų6643.5 Ų43.529%0.28724%0.242SC..Hα-helixtrans-73-27.3176.3-67170.7-164.4178.20113.5D611 E612 L613 N727D611-K615 VanDerWaalsContact O-CG 3.29Å; D611-K615 WeakPolarHBondContact O-CG 3.3Å; D611-K615 PolarHBondContact O-N 3.01Å; E612-K615 PolarHBondContact O-N 2.86Å; E612-K615 IonicContact OE1-NZ 3.76Å; E612-K615 PolarHBondContact OE1-NZ 2.84Å; L613-K615 PolarHBondContact O-N 2.63Å; K615-N727 PolarHBondContact NZ-OD1 2.98Å; K615-N727 VanDerWaalsContact NZ-OD1 3.16Å
616K81.9Confident84.5Confident53 Ų5341 Ų4123%0.2323%0.229CC..Hα-helixtrans-109.7-13.1-168.5-69.8-178.7176.7-172.20115.2V575 S576 V577 I580 E612 L613 E618V575-K616 WeakPolarHBondContact O-CD 3.45Å; V575-K616 PolarHBondContact O-NZ 2.88Å; S576-K616 VanDerWaalsContact C-NZ 3.26Å; S576-K616 PolarHBondContact O-NZ 2.95Å; V577-K616 PolarHBondContact O-NZ 3.02Å; I580-K616 HydrophobicContact CD1-CB 4.18Å; I580-K616 HydrophobicContact CD1-CD 4.46Å; I580-K616 HydrophobicContact CG1-CB 4.46Å; E612-K616 WeakPolarHBondContact O-CG 3.39Å; E612-K616 PolarHBondContact O-N 2.91Å; L613-K616 PolarHBondContact O-N 2.91Å; K616-E618 PolarHBondContact O-N 3.15Å
617V86.3Confident84.9Confident1 Ų143.1 Ų43.11%0.00624%0.24CC..BIsolated β-bridgetrans-60.6126.1-178.665.60000111.3I580 A585 L613 F619 I626 V635 R695I580-V617 CarbonylContact O-C 3.51Å; I580-V617 WeakPolarHBondContact O-CA 3.47Å; A585-V617 HydrophobicContact CB-CB 4.4Å; A585-V617 HydrophobicContact CB-CG2 3.71Å; L613-V617 PolarHBondContact O-N 2.86Å; V617-F619 HydrophobicContact CG1-CD1 4.35Å; V617-I626 HydrophobicContact CG2-CD1 4.36Å; V617-V635 HydrophobicContact CG1-CG2 4.01Å; V617-R695 PolarHBondContact O-NH1 3.47Å
618E84.2Confident85.2Confident76 Ų7643.1 Ų43.136%0.35524%0.24SC..  trans-88.8133.8172.6-63.8-166.4167.800109.2K579 I580 T582 K616K579-E618 WeakPolarHBondContact CD-OE1 3.5Å; K579-E618 WeakPolarHBondContact CE-OE1 3.5Å; K579-E618 WeakPolarHBondContact CG-OE1 3.28Å; K579-E618 IonicContact NZ-OE1 3.64Å; K579-E618 PolarHBondContact NZ-OE1 2.68Å; K579-E618 IonicContact NZ-OE2 3.93Å; I580-E618 PolarHBondContact O-N 2.85Å; T582-E618 VanDerWaalsContact CG2-O 3.31Å; T582-E618 WeakPolarHBondContact CG2-O 3.5Å; K616-E618 PolarHBondContact O-N 3.15Å
619F85.1Confident85.3Confident26 Ų2644.8 Ų44.811%0.11425%0.247CC..  trans-149.2145.617964.8-89.5000110.6T582 V617 V624 V635 A637 R695T582-F619 HydrophobicContact CG2-CB 4.18Å; V617-F619 HydrophobicContact CG1-CD1 4.35Å; F619-V624 HydrophobicContact CB-CB 3.69Å; F619-V624 HydrophobicContact CB-CG1 3.8Å; F619-V624 HydrophobicContact CB-CG2 4.14Å; F619-V624 HydrophobicContact CD1-CB 4.19Å; F619-V624 HydrophobicContact CD1-CG1 3.42Å; F619-V624 VanDerWaalsContact CD1-CG1 3.42Å; F619-V624 HydrophobicContact CD2-CB 4Å; F619-V624 HydrophobicContact CD2-CG1 4.04Å; F619-V624 HydrophobicContact CE1-CG1 3.91Å; F619-V624 HydrophobicContact CE2-CG1 4.48Å; F619-V624 HydrophobicContact CG-CB 3.71Å; F619-V624 HydrophobicContact CG-CG1 3.49Å; F619-V624 VanDerWaalsContact CG-CG1 3.49Å; F619-V624 HydrophobicContact CZ-CG1 4.42Å; F619-V635 HydrophobicContact CE1-CB 4.06Å; F619-V635 HydrophobicContact CE1-CG1 3.55Å; F619-V635 HydrophobicContact CZ-CB 4.5Å; F619-V635 HydrophobicContact CZ-CG1 4Å; F619-A637 HydrophobicContact CZ-CB 4.49Å; F619-R695 VanDerWaalsContact CE1-CZ 3.45Å; F619-R695 VanDerWaalsContact CE1-NH1 3.34Å
620D79.4Confident85.4Confident175 Ų17545.8 Ų45.894%0.93625%0.252SS*.SBendtrans-97.7116.7176.3-65.8-42.6000109.5
621G82Confident85.6Confident58 Ų5845.8 Ų45.860%0.59825%0.252SS*.SBendtrans132.2-171.7177.800000114.1
622A81.9Confident85.9Confident74 Ų7444.4 Ų44.461%0.61225%0.245SC*.SBendtrans-76-29.4178.100000112.4A637A622-A637 WeakPolarHBondContact O-CB 3.17Å; A622-A637 PolarHBondContact O-N 3Å
623S86.9Confident86.2Confident40 Ų4041 Ų4128%0.2823%0.229SC..EExtended strand (participates in β ladder)trans-154.7161.8179.760.50000112.9V635 F663S623-V635 CarbonylContact C-O 3.6Å; S623-V635 WeakPolarHBondContact CA-O 3.49Å; S623-V635 WeakPolarHBondContact CB-O 3.34Å; S623-F663 WeakPolarHBondContact OG-CE2 3.5Å
624V88.9Confident86.4Confident20 Ų2041 Ų4112%0.12123%0.229CC..EExtended strand (participates in β ladder)trans-132.8143.9171.762.40000110.2T582 F619 I626 G634 V635T582-V624 HydrophobicContact CG2-CG2 4.1Å; F619-V624 HydrophobicContact CB-CB 3.69Å; F619-V624 HydrophobicContact CB-CG1 3.8Å; F619-V624 HydrophobicContact CB-CG2 4.14Å; F619-V624 HydrophobicContact CD1-CB 4.19Å; F619-V624 HydrophobicContact CD1-CG1 3.42Å; F619-V624 VanDerWaalsContact CD1-CG1 3.42Å; F619-V624 HydrophobicContact CD2-CB 4Å; F619-V624 HydrophobicContact CD2-CG1 4.04Å; F619-V624 HydrophobicContact CE1-CG1 3.91Å; F619-V624 HydrophobicContact CE2-CG1 4.48Å; F619-V624 HydrophobicContact CG-CB 3.71Å; F619-V624 HydrophobicContact CG-CG1 3.49Å; F619-V624 VanDerWaalsContact CG-CG1 3.49Å; F619-V624 HydrophobicContact CZ-CG1 4.42Å; V624-I626 HydrophobicContact CG2-CG1 4.36Å; V624-G634 WeakPolarHBondContact O-CA 3.49Å; V624-V635 HydrophobicContact CG1-CB 3.77Å; V624-V635 HydrophobicContact CG1-CG2 4.32Å; V624-V635 PolarHBondContact N-O 3.01Å; V624-V635 PolarHBondContact O-N 2.81Å
625H89.3Confident86.6Confident66 Ų6641 Ų4131%0.30623%0.229SC..EExtended strand (participates in β ladder)trans-126.3126.9179-50-108.6000109L633 I661 F663H625-L633 CarbonylContact C-O 3.4Å; H625-L633 WeakPolarHBondContact CA-O 3.47Å; H625-I661 PolarHBondContact CE1-O 3.43Å; H625-I661 PolarHBondContact ND1-O 3.13Å; H625-F663 AromaticContact CE1-CD2 3.24Å; H625-F663 WeakPolarHBondContact CE1-CD2 3.3Å; H625-F663 AromaticContact CE1-CE2 2.96Å; H625-F663 WeakPolarHBondContact CE1-CE2 3.32Å; H625-F663 AromaticContact CE1-CZ 3.97Å; H625-F663 AromaticContact ND1-CE2 3.58Å; H625-F663 AromaticContact NE2-CD2 3.57Å; H625-F663 AromaticContact NE2-CE2 3.27Å; H625-F663 VanDerWaalsContact NE2-CE2 3.27Å; H625-F663 WeakPolarHBondContact NE2-CE2 3.3Å
626I89.7Confident86.9Confident3 Ų339.4 Ų39.42%0.01522%0.224CC..EExtended strand (participates in β ladder)trans-123.5110.3178.9-60.5172.5000106.9A585 E586 V589 V617 V624 A632 L633A585-I626 HydrophobicContact CB-CD1 3.48Å; A585-I626 VanDerWaalsContact CB-CD1 3.48Å; E586-I626 HydrophobicContact CB-CG2 4.38Å; E586-I626 HydrophobicContact CG-CG1 4.42Å; E586-I626 HydrophobicContact CG-CG2 3.88Å; V589-I626 HydrophobicContact CB-CG2 3.71Å; V589-I626 HydrophobicContact CG1-CG2 3.93Å; V589-I626 HydrophobicContact CG2-CG2 3.69Å; V617-I626 HydrophobicContact CG2-CD1 4.36Å; V624-I626 HydrophobicContact CG2-CG1 4.36Å; I626-A632 WeakPolarHBondContact O-CA 3.41Å; I626-L633 HydrophobicContact CB-CB 4.4Å; I626-L633 HydrophobicContact CD1-CD2 4.42Å; I626-L633 PolarHBondContact N-O 3.42Å; I626-L633 PolarHBondContact O-N 3.08Å
627N89.5Confident87.1Confident47 Ų4739.3 Ų39.325%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-114.6139.6-171.8-56.4-32000110.4
628S89.4Confident86.7Confident0 Ų039.9 Ų39.90%024%0.236CC..  trans-145.7167.1171.267.30000109.8V589 S593 N630 L631 P659V589-S628 WeakPolarHBondContact CG1-OG 3.46Å; S593-S628 WeakPolarHBondContact CB-OG 3.06Å; S593-S628 PolarHBondContact OG-OG 3.08Å; S628-N630 PolarHBondContact O-N 3.45Å; S628-L631 PolarHBondContact N-O 3.21Å; S628-L631 PolarHBondContact O-N 3.31Å; S628-L631 PolarHBondContact OG-N 3.14Å; S628-L631 PolarHBondContact OG-O 2.78Å; S628-P659 VanDerWaalsContact O-CD 3.24Å; S628-P659 WeakPolarHBondContact O-CD 3.39Å
629K85.2Confident86.3Confident132 Ų13240.5 Ų40.557%0.57424%0.242SC*.SBendtrans-45.4-43.4-174.8-173.1178.3-179.4179.30115.1D658 S702K629-D658 WeakPolarHBondContact CA-OD1 3.37Å; K629-S702 PolarHBondContact O-OG 3.34Å
630N86.8Confident85.5Confident22 Ų2241.6 Ų41.612%0.11825%0.252CS..SBendtrans-110.3-13.9-174.3-62.6-40.9000114.5S593 M596 S628 S702S593-N630 PolarHBondContact O-ND2 3.48Å; S593-N630 WeakPolarHBondContact OG-CB 3.49Å; S593-N630 PolarHBondContact OG-N 2.74Å; S593-N630 VanDerWaalsContact OG-N 3.11Å; M596-N630 VanDerWaalsContact CE-C 3.47Å; M596-N630 HydrophobicContact CE-CB 3.34Å; M596-N630 WeakPolarHBondContact CE-O 3.28Å; S628-N630 PolarHBondContact O-N 3.45Å; N630-S702 VanDerWaalsContact CA-OG 3.27Å; N630-S702 WeakPolarHBondContact CA-OG 3.2Å; N630-S702 PolarHBondContact O-N 3.34Å; N630-S702 PolarHBondContact O-OG 3.5Å
631L89.8Confident85.2Confident0 Ų044.5 Ų44.50%025%0.25CS..EExtended strand (participates in β ladder)trans-141.4128.7-174.6174.359.8000111.1V589 I592 M596 V610 S628 M699 F700 F701V589-L631 HydrophobicContact CG1-CB 4.34Å; V589-L631 HydrophobicContact CG1-CD2 4.04Å; V589-L631 HydrophobicContact CG1-CG 4.07Å; I592-L631 HydrophobicContact CG2-CD2 4.28Å; M596-L631 HydrophobicContact CE-CB 3.51Å; V610-L631 HydrophobicContact CG1-CD2 4.1Å; V610-L631 HydrophobicContact CG2-CD2 3.93Å; S628-L631 PolarHBondContact N-O 3.21Å; S628-L631 PolarHBondContact O-N 3.31Å; S628-L631 PolarHBondContact OG-N 3.14Å; S628-L631 PolarHBondContact OG-O 2.78Å; L631-M699 HydrophobicContact CD1-CB 4.46Å; L631-F700 WeakPolarHBondContact CA-O 3.1Å; L631-F701 HydrophobicContact CD1-CD1 3.79Å; L631-F701 HydrophobicContact CD1-CD2 4.44Å; L631-F701 HydrophobicContact CD1-CE1 3.6Å; L631-F701 HydrophobicContact CD1-CE2 4.28Å; L631-F701 HydrophobicContact CD1-CG 4.21Å; L631-F701 HydrophobicContact CD1-CZ 3.86Å; L631-F701 HydrophobicContact CD2-CE1 4.42Å
632A91Very high84.9Confident0 Ų045.8 Ų45.80%025%0.25CC..EExtended strand (participates in β ladder)trans-114.9135165.100000110.1I626 P659 I661 M699 F700I626-A632 WeakPolarHBondContact O-CA 3.41Å; A632-P659 HydrophobicContact CB-CB 4.34Å; A632-P659 HydrophobicContact CB-CG 4.1Å; A632-I661 VanDerWaalsContact C-CD1 3.47Å; A632-I661 HydrophobicContact CB-CD1 3.56Å; A632-I661 HydrophobicContact CB-CG1 3.82Å; A632-I661 WeakPolarHBondContact O-CD1 3.46Å; A632-M699 CarbonylContact O-C 3.59Å; A632-M699 WeakPolarHBondContact O-CA 3.44Å; A632-F700 HydrophobicContact CB-CB 4.45Å; A632-F700 PolarHBondContact N-O 3.3Å; A632-F700 PolarHBondContact O-N 3.34Å
633L91.6Very high84.8Confident1 Ų143.9 Ų43.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-121.6123.6177.517165.1000109.1V589 A614 H625 I626 V635 M699V589-L633 HydrophobicContact CG2-CD2 4.29Å; A614-L633 HydrophobicContact CB-CD1 3.75Å; A614-L633 HydrophobicContact CB-CD2 4.2Å; H625-L633 CarbonylContact C-O 3.4Å; H625-L633 WeakPolarHBondContact CA-O 3.47Å; I626-L633 HydrophobicContact CB-CB 4.4Å; I626-L633 HydrophobicContact CD1-CD2 4.42Å; I626-L633 PolarHBondContact N-O 3.42Å; I626-L633 PolarHBondContact O-N 3.08Å; L633-V635 HydrophobicContact CD1-CG2 4.19Å; L633-V635 HydrophobicContact CG-CG2 4.27Å; L633-M699 HydrophobicContact CD1-CE 4.06Å; L633-M699 HydrophobicContact CD1-CG 3.72Å
634G90Very high84.6Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-116.4132172.200000110.1V624 F698V624-G634 WeakPolarHBondContact O-CA 3.49Å; G634-F698 PolarHBondContact N-O 3.06Å; G634-F698 PolarHBondContact O-N 2.8Å
635V89.4Confident84.3Confident1 Ų149.2 Ų49.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-122.6123.9174.1-175.10000108.8A614 V617 F619 S623 V624 L633 R695 N697A614-V635 HydrophobicContact CB-CG2 4.41Å; V617-V635 HydrophobicContact CG1-CG2 4.01Å; F619-V635 HydrophobicContact CE1-CB 4.06Å; F619-V635 HydrophobicContact CE1-CG1 3.55Å; F619-V635 HydrophobicContact CZ-CB 4.5Å; F619-V635 HydrophobicContact CZ-CG1 4Å; S623-V635 CarbonylContact C-O 3.6Å; S623-V635 WeakPolarHBondContact CA-O 3.49Å; S623-V635 WeakPolarHBondContact CB-O 3.34Å; V624-V635 HydrophobicContact CG1-CB 3.77Å; V624-V635 HydrophobicContact CG1-CG2 4.32Å; V624-V635 PolarHBondContact N-O 3.01Å; V624-V635 PolarHBondContact O-N 2.81Å; L633-V635 HydrophobicContact CD1-CG2 4.19Å; L633-V635 HydrophobicContact CG-CG2 4.27Å; V635-R695 HydrophobicContact CG1-CB 4.13Å; V635-R695 HydrophobicContact CG1-CG 4.37Å; V635-N697 WeakPolarHBondContact CG1-OD1 3.4Å
636L87.4Confident84.3Confident32 Ų3247.3 Ų47.317%0.16825%0.253CS..EExtended strand (participates in β ladder)trans-112.6131.8-178.9179.768.8000109.8F648 F663 R695 I696L636-F648 HydrophobicContact CB-CE1 4.39Å; L636-F648 HydrophobicContact CD2-CE1 4.08Å; L636-F648 HydrophobicContact CD2-CZ 4.19Å; L636-F663 HydrophobicContact CB-CD1 4.13Å; L636-F663 HydrophobicContact CB-CE1 3.75Å; L636-F663 HydrophobicContact CB-CZ 4.15Å; L636-F663 HydrophobicContact CD1-CD1 4.33Å; L636-F663 HydrophobicContact CD1-CG 4.34Å; L636-F663 HydrophobicContact CD2-CD1 4.2Å; L636-F663 HydrophobicContact CG-CD1 4.46Å; L636-R695 CarbonylContact O-C 3.6Å; L636-R695 WeakPolarHBondContact O-CA 3.21Å; L636-R695 WeakPolarHBondContact O-CB 3.38Å; L636-I696 HydrophobicContact CB-CB 4.45Å; L636-I696 HydrophobicContact CD2-CD1 4.42Å; L636-I696 PolarHBondContact N-O 3.45Å; L636-I696 PolarHBondContact O-N 3.08Å
637A84.6Confident84.2Confident51 Ų5147.8 Ų47.842%0.42126%0.256SS..EExtended strand (participates in β ladder)trans-70.2130.4170.400000110.3F619 A622F619-A637 HydrophobicContact CZ-CB 4.49Å; A622-A637 WeakPolarHBondContact O-CB 3.17Å; A622-A637 PolarHBondContact O-N 3Å
638L78.4Confident84.2Confident14 Ų1445.6 Ų45.67%0.07324%0.244CC..  trans-112.6127.2-176.8174.467.2000110.4F643 L680 S694 I696 V725L638-F643 HydrophobicContact CD1-CB 4.02Å; L638-F643 HydrophobicContact CD1-CD2 3.27Å; L638-F643 HydrophobicContact CD1-CE2 3.88Å; L638-F643 HydrophobicContact CD1-CG 3.82Å; L638-L680 HydrophobicContact CD2-CD1 4.26Å; L638-S694 WeakPolarHBondContact CA-O 3.42Å; L638-S694 WeakPolarHBondContact CB-O 3.36Å; L638-S694 PolarHBondContact N-O 3.45Å; L638-S694 WeakPolarHBondContact O-CB 3.29Å; L638-S694 VanDerWaalsContact O-O 3.1Å; L638-S694 PolarHBondContact O-OG 3.33Å; L638-I696 HydrophobicContact CB-CD1 4.46Å; L638-I696 HydrophobicContact CB-CG1 4.2Å; L638-I696 HydrophobicContact CD1-CD1 3.86Å; L638-I696 HydrophobicContact CD1-CG1 4.38Å; L638-I696 HydrophobicContact CD2-CD1 4.27Å; L638-I696 HydrophobicContact CD2-CG1 3.98Å; L638-I696 HydrophobicContact CG-CD1 4.42Å; L638-I696 HydrophobicContact CG-CG1 4.42Å; L638-V725 HydrophobicContact CD2-CG1 3.84Å
639D76.3Confident84.2Confident89 Ų8945.6 Ų45.648%0.47624%0.244SC..  trans-101.2118.1164-177.2-1.5000109.1R641 F643D639-R641 PolarHBondContact O-N 3.42Å; D639-R641 PolarHBondContact OD1-N 2.87Å; D639-F643 PolarHBondContact O-N 3.33Å
640S69.2Low84.5Confident49 Ų4939.3 Ų39.334%0.34322%0.217SC..THydrogen-bonded Turntrans-67.1-23.5-178.147.80000114.2F688S640-F688 WeakPolarHBondContact OG-CD1 3.15Å; S640-F688 WeakPolarHBondContact OG-CE1 3.28Å
641R72.4Confident84.6Confident236 Ų23640.5 Ų40.589%0.89122%0.221SC*.THydrogen-bonded Turntrans-80.3-25.1-176.3-64-175.4179.5-160.30.8112.7D639D639-R641 PolarHBondContact O-N 3.42Å; D639-R641 PolarHBondContact OD1-N 2.87Å
642S75Confident84.4Confident84 Ų8444.2 Ų44.259%0.58724%0.238SC*.SBendtrans-112.95.6-175.965.80000113.8N644S642-N644 PolarHBondContact O-N 3.11Å
643F81Confident84Confident34 Ų3445.2 Ų45.215%0.14924%0.244CC..  trans-69.9117.8-176.8-174.4-107.1000111.6L638 D639 T646 L675 P676 L679 L680 I696L638-F643 HydrophobicContact CD1-CB 4.02Å; L638-F643 HydrophobicContact CD1-CD2 3.27Å; L638-F643 HydrophobicContact CD1-CE2 3.88Å; L638-F643 HydrophobicContact CD1-CG 3.82Å; D639-F643 PolarHBondContact O-N 3.33Å; F643-T646 HydrophobicContact CE2-CG2 3.78Å; F643-T646 HydrophobicContact CZ-CG2 4.14Å; F643-L675 HydrophobicContact CZ-CB 4.16Å; F643-P676 WeakPolarHBondContact CE1-O 3.33Å; F643-L679 HydrophobicContact CE1-CB 3.88Å; F643-L679 HydrophobicContact CE1-CD2 4.17Å; F643-L679 HydrophobicContact CZ-CD2 4.19Å; F643-L680 HydrophobicContact CB-CD1 4.32Å; F643-L680 HydrophobicContact CD1-CD1 4.43Å; F643-I696 HydrophobicContact CE2-CD1 3.83Å; F643-I696 HydrophobicContact CZ-CD1 4.41Å
644N82.3Confident83.2Confident143 Ų14351.5 Ų51.577%0.76529%0.285SS*.  trans-120.229.5179.5-163.720.7000112.1S642S642-N644 PolarHBondContact O-N 3.11Å
645G83Confident82.7Confident29 Ų2959.5 Ų59.530%0.29933%0.328SS..  trans84.1158.4-170.700000112.7L675G645-L675 VanDerWaalsContact CA-O 3.31Å; G645-L675 WeakPolarHBondContact CA-O 3.42Å
646T87.9Confident82.1Confident27 Ų2761.5 Ų61.517%0.16634%0.342CS..EExtended strand (participates in β ladder)trans-152.5158.9178.1-173.40000111F643 F648 T674 L675 I696F643-T646 HydrophobicContact CE2-CG2 3.78Å; F643-T646 HydrophobicContact CZ-CG2 4.14Å; T646-F648 HydrophobicContact CG2-CE2 3.5Å; T646-F648 HydrophobicContact CG2-CZ 3.51Å; T646-T674 WeakPolarHBondContact O-CA 3.5Å; T646-L675 HydrophobicContact CG2-CB 4.27Å; T646-L675 HydrophobicContact CG2-CD1 4.03Å; T646-L675 HydrophobicContact CG2-CG 4.38Å; T646-L675 PolarHBondContact N-O 3.48Å; T646-L675 PolarHBondContact O-N 3.26Å; T646-I696 HydrophobicContact CG2-CD1 3.88Å
647S88.6Confident81.7Confident13 Ų1365.2 Ų65.29%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-126.1133.4176.7-720000110.5F663 D664 V673 T674S647-F663 CarbonylContact O-C 3.15Å; S647-D664 PolarHBondContact O-N 3Å; S647-V673 CarbonylContact C-O 3.54Å; S647-V673 WeakPolarHBondContact CA-O 3.34Å; S647-T674 WeakPolarHBondContact OG-CG2 3.34Å; S647-T674 PolarHBondContact OG-OG1 3.39Å
648F89Confident81.6Confident0 Ų065.1 Ų65.10%036%0.359CS..EExtended strand (participates in β ladder)trans-108.6136.4172.7-52.3-89.3000108.6L636 T646 F663 Q672 V673 L675 I696 F698L636-F648 HydrophobicContact CB-CE1 4.39Å; L636-F648 HydrophobicContact CD2-CE1 4.08Å; L636-F648 HydrophobicContact CD2-CZ 4.19Å; T646-F648 HydrophobicContact CG2-CE2 3.5Å; T646-F648 HydrophobicContact CG2-CZ 3.51Å; F648-F663 AromaticContact CD1-CD1 3.3Å; F648-F663 HydrophobicContact CD1-CD1 3.3Å; F648-F663 AromaticContact CD1-CE1 3.43Å; F648-F663 HydrophobicContact CD1-CE1 3.43Å; F648-F663 VanDerWaalsContact CD1-CE1 3.43Å; F648-F663 AromaticContact CE1-CD1 3.29Å; F648-F663 HydrophobicContact CE1-CD1 3.29Å; F648-F663 AromaticContact CE1-CE1 3.36Å; F648-F663 HydrophobicContact CE1-CE1 3.36Å; F648-Q672 CarbonylContact O-C 3.53Å; F648-Q672 WeakPolarHBondContact O-CA 3.43Å; F648-Q672 WeakPolarHBondContact O-CG 3.21Å; F648-V673 HydrophobicContact CD2-CB 4.49Å; F648-V673 PolarHBondContact N-O 3.45Å; F648-V673 PolarHBondContact O-N 2.82Å; F648-L675 HydrophobicContact CE2-CD1 3.62Å; F648-L675 HydrophobicContact CE2-CG 3.95Å; F648-L675 HydrophobicContact CZ-CD1 4.29Å; F648-I696 HydrophobicContact CE1-CG2 4.11Å; F648-I696 HydrophobicContact CE2-CG2 3.77Å; F648-I696 HydrophobicContact CZ-CB 3.92Å; F648-I696 HydrophobicContact CZ-CD1 4.21Å; F648-I696 HydrophobicContact CZ-CG2 3.3Å; F648-F698 HydrophobicContact CB-CB 4.28Å; F648-F698 HydrophobicContact CB-CD1 3.87Å; F648-F698 HydrophobicContact CB-CD2 3.73Å; F648-F698 HydrophobicContact CB-CE1 4.09Å; F648-F698 HydrophobicContact CB-CE2 3.98Å; F648-F698 HydrophobicContact CB-CG 3.67Å; F648-F698 HydrophobicContact CB-CZ 4.15Å; F648-F698 HydrophobicContact CD1-CB 3.79Å; F648-F698 HydrophobicContact CD1-CG 4.14Å; F648-F698 HydrophobicContact CD2-CD2 4.42Å; F648-F698 HydrophobicContact CE1-CB 4.37Å; F648-F698 HydrophobicContact CG-CB 3.98Å; F648-F698 HydrophobicContact CG-CD1 4.47Å; F648-F698 HydrophobicContact CG-CD2 4.04Å; F648-F698 AromaticContact CG-CG 3.9Å; F648-F698 HydrophobicContact CG-CG 3.9Å
649S90.3Very high82Confident0 Ų064.5 Ų64.50%036%0.355CS..EExtended strand (participates in β ladder)trans-129.6139.5175.363.30000112I661 E662 D664 T666 A671S649-I661 CarbonylContact O-C 3.53Å; S649-I661 WeakPolarHBondContact O-CA 3.29Å; S649-E662 PolarHBondContact N-O 3.29Å; S649-E662 PolarHBondContact O-N 3.4Å; S649-D664 PolarHBondContact OG-O 3.39Å; S649-T666 VanDerWaalsContact CB-OG1 3.22Å; S649-T666 WeakPolarHBondContact CB-OG1 3.18Å; S649-T666 VanDerWaalsContact OG-CG2 3.27Å; S649-T666 WeakPolarHBondContact OG-CG2 3.34Å; S649-T666 PolarHBondContact OG-OG1 3.1Å; S649-A671 CarbonylContact C-O 3.57Å; S649-A671 WeakPolarHBondContact CA-O 3.33Å
650A90.3Very high82.5Confident0 Ų063.9 Ų63.90%035%0.349CS..EExtended strand (participates in β ladder)trans-113.9134.6176.300000110.6Q660 L670 A671 F698 F700A650-Q660 VanDerWaalsContact CA-O 3.31Å; A650-Q660 WeakPolarHBondContact CA-O 3.5Å; A650-L670 WeakPolarHBondContact O-CB 2.89Å; A650-L670 PolarHBondContact O-N 2.8Å; A650-A671 PolarHBondContact N-O 3.42Å; A650-A671 PolarHBondContact O-N 3.17Å; A650-F698 HydrophobicContact CB-CE1 4.21Å; A650-F698 HydrophobicContact CB-CZ 4.49Å; A650-F700 HydrophobicContact CB-CB 3.88Å; A650-F700 HydrophobicContact CB-CD1 4.11Å; A650-F700 HydrophobicContact CB-CD2 3.42Å; A650-F700 VanDerWaalsContact CB-CD2 3.42Å; A650-F700 HydrophobicContact CB-CE2 3.93Å; A650-F700 HydrophobicContact CB-CG 3.52Å; A650-F700 HydrophobicContact CB-CZ 4.46Å
651F88.8Confident83.4Confident47 Ų4761.8 Ų61.821%0.20633%0.334CS..EExtended strand (participates in β ladder)trans-152.2164.2-17967.1-79.5000112P653 Q660 E662 T666F651-P653 HydrophobicContact CE2-CG 4.29Å; F651-Q660 HydrophobicContact CE1-CB 4.38Å; F651-Q660 HydrophobicContact CZ-CB 4.28Å; F651-Q660 PolarHBondContact N-O 2.81Å; F651-Q660 PolarHBondContact O-N 2.96Å; F651-E662 HydrophobicContact CE1-CB 4.09Å; F651-T666 HydrophobicContact CE1-CG2 4.43Å
652F85.3Confident84Confident78 Ų7854.8 Ų54.834%0.34231%0.312SS..  trans-97.3125.2168.2-71.2-65000109.8T657 P659 L670F652-T657 WeakPolarHBondContact CE1-O 3.08Å; F652-P659 HydrophobicContact CD1-CB 4.31Å; F652-P659 HydrophobicContact CE1-CB 3.86Å; F652-P659 HydrophobicContact CE1-CG 4.3Å; F652-P659 HydrophobicContact CZ-CB 4.4Å; F652-L670 HydrophobicContact CD2-CD1 3.26Å; F652-L670 HydrophobicContact CD2-CG 4.49Å; F652-L670 HydrophobicContact CE2-CD1 3.41Å; F652-L670 VanDerWaalsContact CE2-CD1 3.41Å; F652-L670 HydrophobicContact CG-CD1 4.06Å; F652-L670 HydrophobicContact CZ-CD1 4.35Å
653P82.8Confident84.3Confident22 Ų2252 Ų5214%0.14329%0.289CS..  trans-61.7147.3170.4-19.130000111F651 N655 S656 D658 Q660F651-P653 HydrophobicContact CE2-CG 4.29Å; P653-N655 PolarHBondContact O-N 3.34Å; P653-S656 PolarHBondContact O-N 3.21Å; P653-D658 WeakPolarHBondContact CD-O 3.4Å; P653-Q660 HydrophobicContact CG-CB 4.38Å; P653-Q660 HydrophobicContact CG-CG 3.73Å
654P76.1Confident84.2Confident133 Ų13356 Ų5686%0.86431%0.312SS*.THydrogen-bonded Turntrans-59.4-13.7-173.119.2-30.6000115.7
655N77.8Confident83.7Confident167 Ų16757.8 Ų57.889%0.89331%0.308SS*.THydrogen-bonded Turntrans-125.913.4179.9-66.3-28.1000113.8P653P653-N655 PolarHBondContact O-N 3.34Å
656S77.5Confident83.2Confident44 Ų4458.3 Ų58.331%0.30831%0.306SS..  trans-128.4144-178.1-177.10000111.2P653 D658P653-S656 PolarHBondContact O-N 3.21Å; S656-D658 PolarHBondContact OG-N 3.5Å; S656-D658 VanDerWaalsContact OG-N 3.14Å
657T78.2Confident82Confident110 Ų11061.7 Ų61.768%0.67534%0.336SS*.SBendtrans-88.4-8.117253.10000113.1F652F652-T657 WeakPolarHBondContact CE1-O 3.08Å
658D83.3Confident81.3Confident49 Ų4967.3 Ų67.326%0.26237%0.365SS..SBendtrans-96.2130.8-174.9-64.3-3.6000109.6K629 P653 S656K629-D658 WeakPolarHBondContact CA-OD1 3.37Å; P653-D658 WeakPolarHBondContact CD-O 3.4Å; S656-D658 PolarHBondContact OG-N 3.5Å; S656-D658 VanDerWaalsContact OG-N 3.14Å
659P86.3Confident81.1Confident0 Ų068.1 Ų68.10%037%0.37CS..  trans-67.3142.9178.628.9-32.6000110.8S628 A632 F652 F700S628-P659 VanDerWaalsContact O-CD 3.24Å; S628-P659 WeakPolarHBondContact O-CD 3.39Å; A632-P659 HydrophobicContact CB-CB 4.34Å; A632-P659 HydrophobicContact CB-CG 4.1Å; F652-P659 HydrophobicContact CD1-CB 4.31Å; F652-P659 HydrophobicContact CE1-CB 3.86Å; F652-P659 HydrophobicContact CE1-CG 4.3Å; F652-P659 HydrophobicContact CZ-CB 4.4Å; P659-F700 HydrophobicContact CB-CD1 3.54Å; P659-F700 HydrophobicContact CB-CE1 3.56Å; P659-F700 HydrophobicContact CG-CD1 3.99Å; P659-F700 HydrophobicContact CG-CE1 4.16Å
660Q86.9Confident81Confident76 Ų7669.8 Ų69.836%0.35538%0.379SS..EExtended strand (participates in β ladder)trans-120.5154.6174.3-64.4-168.1-10.900110.8A650 F651 P653A650-Q660 VanDerWaalsContact CA-O 3.31Å; A650-Q660 WeakPolarHBondContact CA-O 3.5Å; F651-Q660 HydrophobicContact CE1-CB 4.38Å; F651-Q660 HydrophobicContact CZ-CB 4.28Å; F651-Q660 PolarHBondContact N-O 2.81Å; F651-Q660 PolarHBondContact O-N 2.96Å; P653-Q660 HydrophobicContact CG-CB 4.38Å; P653-Q660 HydrophobicContact CG-CG 3.73Å
661I87.6Confident81Confident5 Ų569.8 Ų69.83%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-116130.8179.8-65.4164.9000109H625 A632 S649 F698H625-I661 PolarHBondContact CE1-O 3.43Å; H625-I661 PolarHBondContact ND1-O 3.13Å; A632-I661 VanDerWaalsContact C-CD1 3.47Å; A632-I661 HydrophobicContact CB-CD1 3.56Å; A632-I661 HydrophobicContact CB-CG1 3.82Å; A632-I661 WeakPolarHBondContact O-CD1 3.46Å; S649-I661 CarbonylContact O-C 3.53Å; S649-I661 WeakPolarHBondContact O-CA 3.29Å; I661-F698 HydrophobicContact CB-CD1 4.38Å; I661-F698 HydrophobicContact CD1-CD1 3.7Å; I661-F698 HydrophobicContact CD1-CE1 4.15Å; I661-F698 HydrophobicContact CG1-CD1 3.85Å; I661-F698 HydrophobicContact CG1-CE1 3.93Å; I661-F698 HydrophobicContact CG2-CD1 3.6Å; I661-F698 HydrophobicContact CG2-CE1 4.09Å
662E86.5Confident81.1Confident90 Ų9068.4 Ų68.442%0.42137%0.373SS..EExtended strand (participates in β ladder)trans-115.1141.4170.8-160.872.7-132.400110.1S649 F651 D664 T666S649-E662 PolarHBondContact N-O 3.29Å; S649-E662 PolarHBondContact O-N 3.4Å; F651-E662 HydrophobicContact CE1-CB 4.09Å; E662-D664 PolarHBondContact O-N 3.23Å; E662-T666 HydrophobicContact CB-CG2 3.85Å; E662-T666 HydrophobicContact CG-CG2 3.97Å
663F81.1Confident81.4Confident26 Ų2664.7 Ų64.711%0.11436%0.357CS..SBendtrans-8827.2179.1-66.5-68.5000113.4S623 H625 L636 S647 F648S623-F663 WeakPolarHBondContact OG-CE2 3.5Å; H625-F663 AromaticContact CE1-CD2 3.24Å; H625-F663 WeakPolarHBondContact CE1-CD2 3.3Å; H625-F663 AromaticContact CE1-CE2 2.96Å; H625-F663 WeakPolarHBondContact CE1-CE2 3.32Å; H625-F663 AromaticContact CE1-CZ 3.97Å; H625-F663 AromaticContact ND1-CE2 3.58Å; H625-F663 AromaticContact NE2-CD2 3.57Å; H625-F663 AromaticContact NE2-CE2 3.27Å; H625-F663 VanDerWaalsContact NE2-CE2 3.27Å; H625-F663 WeakPolarHBondContact NE2-CE2 3.3Å; L636-F663 HydrophobicContact CB-CD1 4.13Å; L636-F663 HydrophobicContact CB-CE1 3.75Å; L636-F663 HydrophobicContact CB-CZ 4.15Å; L636-F663 HydrophobicContact CD1-CD1 4.33Å; L636-F663 HydrophobicContact CD1-CG 4.34Å; L636-F663 HydrophobicContact CD2-CD1 4.2Å; L636-F663 HydrophobicContact CG-CD1 4.46Å; S647-F663 CarbonylContact O-C 3.15Å; F648-F663 AromaticContact CD1-CD1 3.3Å; F648-F663 HydrophobicContact CD1-CD1 3.3Å; F648-F663 AromaticContact CD1-CE1 3.43Å; F648-F663 HydrophobicContact CD1-CE1 3.43Å; F648-F663 VanDerWaalsContact CD1-CE1 3.43Å; F648-F663 AromaticContact CE1-CD1 3.29Å; F648-F663 HydrophobicContact CE1-CD1 3.29Å; F648-F663 AromaticContact CE1-CE1 3.36Å; F648-F663 HydrophobicContact CE1-CE1 3.36Å
664D79Confident81.7Confident116 Ų11665 Ų6562%0.6236%0.359SS*.SBendtrans-147.6171.6178.6-98.6-36.3000111.7S647 S649 E662 T666S647-D664 PolarHBondContact O-N 3Å; S649-D664 PolarHBondContact OG-O 3.39Å; E662-D664 PolarHBondContact O-N 3.23Å; D664-T666 PolarHBondContact O-N 3.49Å
665R71.6Confident82.4Confident182 Ų18258.8 Ų58.869%0.68732%0.318SS*.PPolyproline II helixtrans-73116.2177-65.9-165.3176.4-172.52.1111.1
666T73.3Confident82.9Confident40 Ų4051.7 Ų51.725%0.24528%0.281CS..PPolyproline II helixtrans-100.9160.5175.453.60000111.9S649 F651 E662 D664S649-T666 VanDerWaalsContact CB-OG1 3.22Å; S649-T666 WeakPolarHBondContact CB-OG1 3.18Å; S649-T666 VanDerWaalsContact OG-CG2 3.27Å; S649-T666 WeakPolarHBondContact OG-CG2 3.34Å; S649-T666 PolarHBondContact OG-OG1 3.1Å; F651-T666 HydrophobicContact CE1-CG2 4.43Å; E662-T666 HydrophobicContact CB-CG2 3.85Å; E662-T666 HydrophobicContact CG-CG2 3.97Å; D664-T666 PolarHBondContact O-N 3.49Å
667A61.7Low83.2Confident98 Ų9852.2 Ų52.281%0.8129%0.288SS*.SBendtrans-79.1120.5174.800000110.1
668N73.5Confident83.5Confident130 Ų13048.2 Ų48.270%0.69527%0.265SS*.SBendtrans59.661.2-179.3-59-38.3000115.7
669P85.5Confident83.3Confident17 Ų1746 Ų4611%0.1125%0.253CS..  trans-71.2149.5174.931.9-34.8000112Q672P669-Q672 HydrophobicContact CB-CB 4.34Å; P669-Q672 HydrophobicContact CG-CB 3.92Å
670L87.6Confident82.8Confident35 Ų3547.4 Ų47.418%0.18326%0.26CS..SBendtrans-73.8-35.2171.5-62.7168000111.2A650 F652 F700 Y719 A742A650-L670 WeakPolarHBondContact O-CB 2.89Å; A650-L670 PolarHBondContact O-N 2.8Å; F652-L670 HydrophobicContact CD2-CD1 3.26Å; F652-L670 HydrophobicContact CD2-CG 4.49Å; F652-L670 HydrophobicContact CE2-CD1 3.41Å; F652-L670 VanDerWaalsContact CE2-CD1 3.41Å; F652-L670 HydrophobicContact CG-CD1 4.06Å; F652-L670 HydrophobicContact CZ-CD1 4.35Å; L670-F700 HydrophobicContact CB-CE2 4.28Å; L670-F700 HydrophobicContact CB-CZ 4.21Å; L670-F700 HydrophobicContact CD1-CZ 4.16Å; L670-Y719 HydrophobicContact CB-CD2 4.31Å; L670-Y719 HydrophobicContact CB-CE2 4.24Å; L670-Y719 HydrophobicContact CD2-CE2 4.09Å; L670-A742 WeakPolarHBondContact O-CB 2.99Å; L670-A742 PolarHBondContact O-N 3.26Å
671A90.4Very high82Confident0 Ų048.5 Ų48.50%028%0.276CS..EExtended strand (participates in β ladder)trans-147.3144.2168.900000110.1S649 A650 F700 V721 E740 I741S649-A671 CarbonylContact C-O 3.57Å; S649-A671 WeakPolarHBondContact CA-O 3.33Å; A650-A671 PolarHBondContact N-O 3.42Å; A650-A671 PolarHBondContact O-N 3.17Å; A671-F700 HydrophobicContact CB-CD2 3.97Å; A671-F700 HydrophobicContact CB-CE2 3.92Å; A671-V721 HydrophobicContact CB-CG1 3.36Å; A671-E740 CarbonylContact C-O 3.57Å; A671-E740 WeakPolarHBondContact CA-O 3.42Å; A671-I741 HydrophobicContact CB-CG1 4.3Å; A671-I741 HydrophobicContact CB-CG2 4.3Å
672Q90.9Very high80.8Confident18 Ų1852 Ų528%0.08431%0.313CS..EExtended strand (participates in β ladder)trans-139128.4177.8-178.4179.9-8.900110.3F648 P669 I739 E740F648-Q672 CarbonylContact O-C 3.53Å; F648-Q672 WeakPolarHBondContact O-CA 3.43Å; F648-Q672 WeakPolarHBondContact O-CG 3.21Å; P669-Q672 HydrophobicContact CB-CB 4.34Å; P669-Q672 HydrophobicContact CG-CB 3.92Å; Q672-I739 CarbonylContact O-C 3.47Å; Q672-I739 WeakPolarHBondContact O-CA 3.26Å; Q672-E740 HydrophobicContact CB-CB 4.3Å; Q672-E740 PolarHBondContact N-O 2.97Å; Q672-E740 PolarHBondContact O-N 3.47Å
673V90.9Very high79.8Confident0 Ų049.7 Ų49.70%031%0.305CS..EExtended strand (participates in β ladder)trans-115.7123.9175.2175.50000108.6S647 F648 L675 F698 V721 V737 I739S647-V673 CarbonylContact C-O 3.54Å; S647-V673 WeakPolarHBondContact CA-O 3.34Å; F648-V673 HydrophobicContact CD2-CB 4.49Å; F648-V673 PolarHBondContact N-O 3.45Å; F648-V673 PolarHBondContact O-N 2.82Å; V673-L675 HydrophobicContact CG1-CD2 4.06Å; V673-F698 HydrophobicContact CB-CD2 4.37Å; V673-F698 HydrophobicContact CB-CE2 3.94Å; V673-F698 HydrophobicContact CG2-CD2 4.33Å; V673-F698 HydrophobicContact CG2-CE2 3.6Å; V673-V721 HydrophobicContact CG2-CB 4.35Å; V673-V721 HydrophobicContact CG2-CG2 3.98Å; V673-V737 HydrophobicContact CG1-CG1 3.81Å; V673-I739 HydrophobicContact CG1-CG1 4.45Å; V673-I739 HydrophobicContact CG2-CG1 4.26Å; V673-I739 HydrophobicContact CG2-CG2 4.07Å
674T90.9Very high78.8Confident29 Ų2951.8 Ų51.818%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-114.3117.3177.9-57.30000109.7T646 S647 K738T646-T674 WeakPolarHBondContact O-CA 3.5Å; S647-T674 WeakPolarHBondContact OG-CG2 3.34Å; S647-T674 PolarHBondContact OG-OG1 3.39Å; T674-K738 PolarHBondContact N-O 3.37Å; T674-K738 PolarHBondContact O-N 2.99Å; T674-K738 VanDerWaalsContact O-N 3.11Å
675L89.1Confident77.6Confident2 Ų250.1 Ų50.11%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-90.5131.5178.5-59-176.1000110.2F643 G645 T646 F648 V673 L679 I696 V737 L791F643-L675 HydrophobicContact CZ-CB 4.16Å; G645-L675 VanDerWaalsContact CA-O 3.31Å; G645-L675 WeakPolarHBondContact CA-O 3.42Å; T646-L675 HydrophobicContact CG2-CB 4.27Å; T646-L675 HydrophobicContact CG2-CD1 4.03Å; T646-L675 HydrophobicContact CG2-CG 4.38Å; T646-L675 PolarHBondContact N-O 3.48Å; T646-L675 PolarHBondContact O-N 3.26Å; F648-L675 HydrophobicContact CE2-CD1 3.62Å; F648-L675 HydrophobicContact CE2-CG 3.95Å; F648-L675 HydrophobicContact CZ-CD1 4.29Å; V673-L675 HydrophobicContact CG1-CD2 4.06Å; L675-L679 HydrophobicContact CB-CD2 4.26Å; L675-L679 HydrophobicContact CD1-CD2 3.92Å; L675-I696 HydrophobicContact CD1-CD1 3.99Å; L675-I696 HydrophobicContact CD1-CG1 4.49Å; L675-I696 HydrophobicContact CD1-CG2 3.79Å; L675-V737 HydrophobicContact CD2-CG1 3.82Å; L675-V737 HydrophobicContact CD2-CG2 4.12Å; L675-L791 HydrophobicContact CD2-CD2 3.69Å
676P89.5Confident76.7Confident19 Ų1947.5 Ų47.512%0.12333%0.325CS..  trans-73.4153.9-17931.3-35.7000111.8F643 S678 L679 D735F643-P676 WeakPolarHBondContact CE1-O 3.33Å; P676-S678 PolarHBondContact O-N 2.94Å; P676-L679 HydrophobicContact CG-CB 4.5Å; P676-L679 VanDerWaalsContact O-CB 3.28Å; P676-L679 WeakPolarHBondContact O-CB 3.4Å; P676-L679 PolarHBondContact O-N 3.44Å; P676-L679 VanDerWaalsContact O-N 3.14Å; P676-D735 HydrophobicContact CB-CB 3.75Å; P676-D735 HydrophobicContact CG-CB 4.18Å
677A84.1Confident75.8Confident54 Ų5449.3 Ų49.345%0.44634%0.336SS..G310 helixtrans-62.8-26.3177.100000113.1L679A677-L679 PolarHBondContact O-N 2.87Å
678S83.4Confident75.3Confident27 Ų2746.3 Ų46.319%0.18931%0.305CS..G310 helixtrans-783.4176.955.10000114.3P676 L680 S681 D735P676-S678 PolarHBondContact O-N 2.94Å; S678-L680 PolarHBondContact O-N 2.9Å; S678-S681 WeakPolarHBondContact O-CB 3.4Å; S678-S681 PolarHBondContact O-N 3.3Å; S678-S681 PolarHBondContact O-OG 2.86Å; S678-D735 WeakPolarHBondContact CB-OD2 3.47Å; S678-D735 WeakPolarHBondContact OG-CB 3.24Å; S678-D735 PolarHBondContact OG-OD2 3.47Å
679L80.2Confident74Confident3 Ų344.9 Ų44.92%0.01631%0.305CS..G310 helixtrans-51.2-35.6-175.4-173.373000114.1F643 L675 P676 A677 V725 I730 L733 L791F643-L679 HydrophobicContact CE1-CB 3.88Å; F643-L679 HydrophobicContact CE1-CD2 4.17Å; F643-L679 HydrophobicContact CZ-CD2 4.19Å; L675-L679 HydrophobicContact CB-CD2 4.26Å; L675-L679 HydrophobicContact CD1-CD2 3.92Å; P676-L679 HydrophobicContact CG-CB 4.5Å; P676-L679 VanDerWaalsContact O-CB 3.28Å; P676-L679 WeakPolarHBondContact O-CB 3.4Å; P676-L679 PolarHBondContact O-N 3.44Å; P676-L679 VanDerWaalsContact O-N 3.14Å; A677-L679 PolarHBondContact O-N 2.87Å; L679-V725 HydrophobicContact CD2-CG2 3.92Å; L679-I730 HydrophobicContact CD1-CD1 4.2Å; L679-I730 HydrophobicContact CD1-CG2 4.42Å; L679-I730 HydrophobicContact CG-CD1 4.05Å; L679-L733 HydrophobicContact CD1-CD1 3.86Å; L679-L733 HydrophobicContact CD1-CD2 3.86Å; L679-L791 HydrophobicContact CD1-CD1 3.99Å
680L75.9Confident72.4Confident28 Ų2854.7 Ų54.715%0.14734%0.34CS..G310 helixtrans-99.60.2-175.5-58.4176.3000113.7L638 F643 S678 G682 V683 F688L638-L680 HydrophobicContact CD2-CD1 4.26Å; F643-L680 HydrophobicContact CB-CD1 4.32Å; F643-L680 HydrophobicContact CD1-CD1 4.43Å; S678-L680 PolarHBondContact O-N 2.9Å; L680-G682 PolarHBondContact O-N 2.94Å; L680-V683 PolarHBondContact O-N 3.38Å; L680-F688 HydrophobicContact CD1-CE2 4.39Å; L680-F688 HydrophobicContact CD2-CE2 4.08Å
681S70.2Confident70.7Confident100 Ų10055.1 Ų55.170%0.69935%0.345SS*.THydrogen-bonded Turntrans-69.5-16.9-171.268.80000114.3S678S678-S681 WeakPolarHBondContact O-CB 3.4Å; S678-S681 PolarHBondContact O-N 3.3Å; S678-S681 PolarHBondContact O-OG 2.86Å
682G62.1Low68.6Low77 Ų7760.7 Ų60.779%0.79438%0.384SS*.THydrogen-bonded Turntrans-96.2-1.6177.600000115.4L680L680-G682 PolarHBondContact O-N 2.94Å
683V64.8Low66.7Low43 Ų4365.3 Ų65.326%0.26141%0.409SS..SBendtrans-102123.2-173.6-1750000110.5L680 F688 I728L680-V683 PolarHBondContact O-N 3.38Å; V683-F688 HydrophobicContact CG1-CD2 4.49Å; V683-I728 HydrophobicContact CG1-CD1 4.35Å
684S61Low65.7Low70 Ų7067 Ų6749%0.4942%0.42SS..  trans-64.5132.7178.758.60000112.2D686 V687 F688S684-D686 PolarHBondContact O-N 3.31Å; S684-V687 PolarHBondContact O-N 3.41Å; S684-V687 VanDerWaalsContact OG-CG2 3.27Å; S684-V687 WeakPolarHBondContact OG-CG2 3.19Å; S684-F688 PolarHBondContact O-N 3.11Å
685A53.9Low65.2Low81 Ų8167.1 Ų67.167%0.66942%0.418SS*.Hα-helixtrans-56.7-25.1-176.600000115.1S689A685-S689 PolarHBondContact O-OG 3.31Å
686D52.8Low65Low127 Ų12767 Ų6768%0.67942%0.417SS*.Hα-helixtrans-75.3-27.2179.7-126.611.4000113.2S684S684-D686 PolarHBondContact O-N 3.31Å
687V53.5Low65Low77 Ų7766.2 Ų66.247%0.46741%0.412SS..Hα-helixtrans-79-34.5175172.70000110.8S684 S689 R690 I728S684-V687 PolarHBondContact O-N 3.41Å; S684-V687 VanDerWaalsContact OG-CG2 3.27Å; S684-V687 WeakPolarHBondContact OG-CG2 3.19Å; V687-S689 PolarHBondContact O-N 2.83Å; V687-R690 PolarHBondContact O-N 2.9Å; V687-I728 HydrophobicContact CG1-CD1 4.33Å
688F50.6Low65.2Low36 Ų3663.7 Ų63.716%0.15839%0.391CS..Hα-helixtrans-67.2-25-179-155.2-90.6000113.3S640 L680 V683 S684S640-F688 WeakPolarHBondContact OG-CD1 3.15Å; S640-F688 WeakPolarHBondContact OG-CE1 3.28Å; L680-F688 HydrophobicContact CD1-CE2 4.39Å; L680-F688 HydrophobicContact CD2-CE2 4.08Å; V683-F688 HydrophobicContact CG1-CD2 4.49Å; S684-F688 PolarHBondContact O-N 3.11Å
689S47.8Very low65.6Low100 Ų10062.5 Ų62.570%0.69938%0.382SS*.THydrogen-bonded Turntrans-86.1-15.1-175.3-51.70000113.9A685 V687A685-S689 PolarHBondContact O-OG 3.31Å; V687-S689 PolarHBondContact O-N 2.83Å
690R51.2Low66.1Low223 Ų22362.3 Ų62.384%0.84238%0.382SS*.THydrogen-bonded Turntrans-101.5-15.8-176.1-96-178.8179.4135.3-0.2114.9V687V687-R690 PolarHBondContact O-N 2.9Å
691S51.2Low66.8Low43 Ų4361 Ų6130%0.30138%0.375SS..SBendtrans-92.7115.1175.754.30000109.7L693S691-L693 PolarHBondContact O-N 3.42Å
692S47.5Very low67.5Low117 Ų11757.2 Ų57.282%0.81835%0.348SS*.SBendtrans-42105.9171.447.20000112.2
693L50.4Low68.4Low116 Ų11654.5 Ų54.561%0.60732%0.317SS*.  trans62.599.8164.3-59.6164.7000115.6S691 R695S691-L693 PolarHBondContact O-N 3.42Å; L693-R695 HydrophobicContact CB-CG 4.46Å; L693-R695 WeakPolarHBondContact O-CG 3.24Å; L693-R695 PolarHBondContact O-N 3.43Å; L693-R695 VanDerWaalsContact O-N 3.09Å
694S68.9Low68.9Low34 Ų3453.7 Ų53.724%0.23831%0.313CS..  trans-50.6110.5163.737.60000110.7L638L638-S694 WeakPolarHBondContact CA-O 3.42Å; L638-S694 WeakPolarHBondContact CB-O 3.36Å; L638-S694 PolarHBondContact N-O 3.45Å; L638-S694 WeakPolarHBondContact O-CB 3.29Å; L638-S694 VanDerWaalsContact O-O 3.1Å; L638-S694 PolarHBondContact O-OG 3.33Å
695R81.8Confident69.6Low33 Ų3351.3 Ų51.313%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-137.8148.8179.7-68.2168.3178.1-157.9-2.8109.5V617 F619 V635 L636 L693 V725 G726V617-R695 PolarHBondContact O-NH1 3.47Å; F619-R695 VanDerWaalsContact CE1-CZ 3.45Å; F619-R695 VanDerWaalsContact CE1-NH1 3.34Å; V635-R695 HydrophobicContact CG1-CB 4.13Å; V635-R695 HydrophobicContact CG1-CG 4.37Å; L636-R695 CarbonylContact O-C 3.6Å; L636-R695 WeakPolarHBondContact O-CA 3.21Å; L636-R695 WeakPolarHBondContact O-CB 3.38Å; L693-R695 HydrophobicContact CB-CG 4.46Å; L693-R695 WeakPolarHBondContact O-CG 3.24Å; L693-R695 PolarHBondContact O-N 3.43Å; L693-R695 VanDerWaalsContact O-N 3.09Å; R695-V725 WeakPolarHBondContact O-CA 3.32Å; R695-G726 PolarHBondContact O-N 3.5Å
696I84.9Confident70.6Confident0 Ų047.8 Ų47.80%027%0.266CS..EExtended strand (participates in β ladder)trans-107.5123.5170.6-56.6166.1000107.8L636 L638 F643 T646 F648 L675 S724 V725L636-I696 HydrophobicContact CB-CB 4.45Å; L636-I696 HydrophobicContact CD2-CD1 4.42Å; L636-I696 PolarHBondContact N-O 3.45Å; L636-I696 PolarHBondContact O-N 3.08Å; L638-I696 HydrophobicContact CB-CD1 4.46Å; L638-I696 HydrophobicContact CB-CG1 4.2Å; L638-I696 HydrophobicContact CD1-CD1 3.86Å; L638-I696 HydrophobicContact CD1-CG1 4.38Å; L638-I696 HydrophobicContact CD2-CD1 4.27Å; L638-I696 HydrophobicContact CD2-CG1 3.98Å; L638-I696 HydrophobicContact CG-CD1 4.42Å; L638-I696 HydrophobicContact CG-CG1 4.42Å; F643-I696 HydrophobicContact CE2-CD1 3.83Å; F643-I696 HydrophobicContact CZ-CD1 4.41Å; T646-I696 HydrophobicContact CG2-CD1 3.88Å; F648-I696 HydrophobicContact CE1-CG2 4.11Å; F648-I696 HydrophobicContact CE2-CG2 3.77Å; F648-I696 HydrophobicContact CZ-CB 3.92Å; F648-I696 HydrophobicContact CZ-CD1 4.21Å; F648-I696 HydrophobicContact CZ-CG2 3.3Å; L675-I696 HydrophobicContact CD1-CD1 3.99Å; L675-I696 HydrophobicContact CD1-CG1 4.49Å; L675-I696 HydrophobicContact CD1-CG2 3.79Å; I696-S724 WeakPolarHBondContact CA-O 3.49Å; I696-V725 HydrophobicContact CG1-CG2 4.27Å
697N88.3Confident71.9Confident2 Ų241.8 Ų41.81%0.01123%0.234CC..EExtended strand (participates in β ladder)trans-97.9140.7175.4-50.9-40.7000108.5A614 V635 S723 S724A614-N697 HydrophobicContact CB-CB 4.24Å; V635-N697 WeakPolarHBondContact CG1-OD1 3.4Å; N697-S723 WeakPolarHBondContact O-CA 3.35Å; N697-S723 WeakPolarHBondContact O-CB 3.26Å; N697-S723 PolarHBondContact O-OG 2.93Å; N697-S724 WeakPolarHBondContact CB-OG 3.31Å; N697-S724 PolarHBondContact N-O 3.29Å; N697-S724 PolarHBondContact ND2-OG 3.17Å; N697-S724 PolarHBondContact O-N 3.5Å; N697-S724 VanDerWaalsContact O-N 3.13Å
698F89.7Confident72.9Confident0 Ų041 Ų410%023%0.226CC..EExtended strand (participates in β ladder)trans-134.2129.8172.4-179.4-107.3000109.2G634 F648 A650 I661 V673 F700 V721 A722G634-F698 PolarHBondContact N-O 3.06Å; G634-F698 PolarHBondContact O-N 2.8Å; F648-F698 HydrophobicContact CB-CB 4.28Å; F648-F698 HydrophobicContact CB-CD1 3.87Å; F648-F698 HydrophobicContact CB-CD2 3.73Å; F648-F698 HydrophobicContact CB-CE1 4.09Å; F648-F698 HydrophobicContact CB-CE2 3.98Å; F648-F698 HydrophobicContact CB-CG 3.67Å; F648-F698 HydrophobicContact CB-CZ 4.15Å; F648-F698 HydrophobicContact CD1-CB 3.79Å; F648-F698 HydrophobicContact CD1-CG 4.14Å; F648-F698 HydrophobicContact CD2-CD2 4.42Å; F648-F698 HydrophobicContact CE1-CB 4.37Å; F648-F698 HydrophobicContact CG-CB 3.98Å; F648-F698 HydrophobicContact CG-CD1 4.47Å; F648-F698 HydrophobicContact CG-CD2 4.04Å; F648-F698 AromaticContact CG-CG 3.9Å; F648-F698 HydrophobicContact CG-CG 3.9Å; A650-F698 HydrophobicContact CB-CE1 4.21Å; A650-F698 HydrophobicContact CB-CZ 4.49Å; I661-F698 HydrophobicContact CB-CD1 4.38Å; I661-F698 HydrophobicContact CD1-CD1 3.7Å; I661-F698 HydrophobicContact CD1-CE1 4.15Å; I661-F698 HydrophobicContact CG1-CD1 3.85Å; I661-F698 HydrophobicContact CG1-CE1 3.93Å; I661-F698 HydrophobicContact CG2-CD1 3.6Å; I661-F698 HydrophobicContact CG2-CE1 4.09Å; V673-F698 HydrophobicContact CB-CD2 4.37Å; V673-F698 HydrophobicContact CB-CE2 3.94Å; V673-F698 HydrophobicContact CG2-CD2 4.33Å; V673-F698 HydrophobicContact CG2-CE2 3.6Å; F698-F700 HydrophobicContact CE1-CB 4.28Å; F698-V721 HydrophobicContact CE2-CB 4.14Å; F698-V721 HydrophobicContact CE2-CG1 4.17Å; F698-V721 HydrophobicContact CZ-CB 4.43Å; F698-V721 HydrophobicContact CZ-CG1 3.95Å; F698-A722 CarbonylContact C-O 3.56Å; F698-A722 WeakPolarHBondContact CA-O 3.29Å
699M90.3Very high73.9Confident2 Ų243.6 Ų43.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-125.9136.3179-53.2179.6-168.700109.3V610 D611 A614 L631 A632 L633 F701 V721 A722V610-M699 HydrophobicContact CB-SD 4.3Å; V610-M699 HydrophobicContact CG1-CE 3.83Å; V610-M699 HydrophobicContact CG1-SD 3.54Å; V610-M699 VanDerWaalsContact CG1-SD 3.54Å; D611-M699 WeakPolarHBondContact OD1-CE 3.41Å; A614-M699 HydrophobicContact CB-CE 3.79Å; L631-M699 HydrophobicContact CD1-CB 4.46Å; A632-M699 CarbonylContact O-C 3.59Å; A632-M699 WeakPolarHBondContact O-CA 3.44Å; L633-M699 HydrophobicContact CD1-CE 4.06Å; L633-M699 HydrophobicContact CD1-CG 3.72Å; M699-F701 HydrophobicContact CB-CD2 4.47Å; M699-F701 HydrophobicContact CB-CE2 3.78Å; M699-F701 HydrophobicContact CB-CZ 4.35Å; M699-F701 HydrophobicContact SD-CE2 4.42Å; M699-F701 HydrophobicContact SD-CZ 4.29Å; M699-V721 CarbonylContact O-C 3.57Å; M699-V721 VanDerWaalsContact O-CA 3.29Å; M699-V721 WeakPolarHBondContact O-CA 3.26Å; M699-A722 HydrophobicContact CB-CB 4.13Å; M699-A722 PolarHBondContact N-O 2.99Å; M699-A722 PolarHBondContact O-N 3.13Å; M699-A722 HydrophobicContact SD-CB 4.47Å
700F91.6Very high75.1Confident0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-123121.7174174.6-96.8000109.6L631 A632 A650 P659 L670 A671 F698 Y719 V721L631-F700 WeakPolarHBondContact CA-O 3.1Å; A632-F700 HydrophobicContact CB-CB 4.45Å; A632-F700 PolarHBondContact N-O 3.3Å; A632-F700 PolarHBondContact O-N 3.34Å; A650-F700 HydrophobicContact CB-CB 3.88Å; A650-F700 HydrophobicContact CB-CD1 4.11Å; A650-F700 HydrophobicContact CB-CD2 3.42Å; A650-F700 VanDerWaalsContact CB-CD2 3.42Å; A650-F700 HydrophobicContact CB-CE2 3.93Å; A650-F700 HydrophobicContact CB-CG 3.52Å; A650-F700 HydrophobicContact CB-CZ 4.46Å; P659-F700 HydrophobicContact CB-CD1 3.54Å; P659-F700 HydrophobicContact CB-CE1 3.56Å; P659-F700 HydrophobicContact CG-CD1 3.99Å; P659-F700 HydrophobicContact CG-CE1 4.16Å; L670-F700 HydrophobicContact CB-CE2 4.28Å; L670-F700 HydrophobicContact CB-CZ 4.21Å; L670-F700 HydrophobicContact CD1-CZ 4.16Å; A671-F700 HydrophobicContact CB-CD2 3.97Å; A671-F700 HydrophobicContact CB-CE2 3.92Å; F698-F700 HydrophobicContact CE1-CB 4.28Å; F700-Y719 HydrophobicContact CE2-CD1 4.28Å; F700-Y719 HydrophobicContact CE2-CD2 4.28Å; F700-Y719 AromaticContact CE2-CG 3.78Å; F700-Y719 HydrophobicContact CE2-CG 3.78Å; F700-Y719 AromaticContact CZ-CD1 3.74Å; F700-Y719 HydrophobicContact CZ-CD1 3.74Å; F700-Y719 HydrophobicContact CZ-CD2 4.21Å; F700-Y719 HydrophobicContact CZ-CE1 4.29Å; F700-Y719 AromaticContact CZ-CG 3.67Å; F700-Y719 HydrophobicContact CZ-CG 3.67Å; F700-V721 HydrophobicContact CD2-CG1 3.8Å
701F89.6Confident76Confident0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-104.5112.4176.7-60.7-96.3000108.7M596 L607 L631 M699 S703 L706 F707 V720 A722M596-F701 HydrophobicContact CE-CD1 4.4Å; M596-F701 HydrophobicContact SD-CD1 3.84Å; M596-F701 HydrophobicContact SD-CE1 4.29Å; L607-F701 HydrophobicContact CD2-CE1 3.86Å; L607-F701 HydrophobicContact CD2-CZ 3.75Å; L631-F701 HydrophobicContact CD1-CD1 3.79Å; L631-F701 HydrophobicContact CD1-CD2 4.44Å; L631-F701 HydrophobicContact CD1-CE1 3.6Å; L631-F701 HydrophobicContact CD1-CE2 4.28Å; L631-F701 HydrophobicContact CD1-CG 4.21Å; L631-F701 HydrophobicContact CD1-CZ 3.86Å; L631-F701 HydrophobicContact CD2-CE1 4.42Å; M699-F701 HydrophobicContact CB-CD2 4.47Å; M699-F701 HydrophobicContact CB-CE2 3.78Å; M699-F701 HydrophobicContact CB-CZ 4.35Å; M699-F701 HydrophobicContact SD-CE2 4.42Å; M699-F701 HydrophobicContact SD-CZ 4.29Å; F701-S703 VanDerWaalsContact C-N 3.28Å; F701-S703 PolarHBondContact O-N 3.11Å; F701-L706 HydrophobicContact CE1-CD1 4.22Å; F701-F707 HydrophobicContact CB-CE2 4.25Å; F701-F707 HydrophobicContact CD1-CE2 4.1Å; F701-F707 HydrophobicContact CD1-CZ 4.46Å; F701-F707 HydrophobicContact CD2-CE2 4.21Å; F701-F707 HydrophobicContact CD2-CZ 4.19Å; F701-F707 HydrophobicContact CE1-CZ 4.48Å; F701-F707 HydrophobicContact CE2-CZ 4.22Å; F701-F707 AromaticContact CG-CE2 3.93Å; F701-F707 HydrophobicContact CG-CE2 3.93Å; F701-F707 HydrophobicContact CG-CZ 4.32Å; F701-F707 HydrophobicContact CZ-CZ 4.37Å; F701-V720 HydrophobicContact CB-CB 4.15Å; F701-V720 HydrophobicContact CD2-CB 4.32Å; F701-V720 HydrophobicContact CD2-CG1 4.24Å; F701-V720 PolarHBondContact N-O 3.32Å; F701-V720 PolarHBondContact O-N 3.02Å; F701-A722 HydrophobicContact CE2-CB 4.5Å
702S86.4Confident76.9Confident21 Ų2142 Ų4215%0.14722%0.22CC..SBendtrans-76.6-18.8179.872.30000112.6K629 N630 Y719K629-S702 PolarHBondContact O-OG 3.34Å; N630-S702 VanDerWaalsContact CA-OG 3.27Å; N630-S702 WeakPolarHBondContact CA-OG 3.2Å; N630-S702 PolarHBondContact O-N 3.34Å; N630-S702 PolarHBondContact O-OG 3.5Å; S702-Y719 WeakPolarHBondContact O-CD1 3.39Å; S702-Y719 WeakPolarHBondContact O-CE1 3.11Å
703S80.9Confident77.8Confident20 Ų2038.3 Ų38.314%0.1420%0.201CC..  trans-119.4133.1178.5179.10000111.5F701 S705F701-S703 VanDerWaalsContact C-N 3.28Å; F701-S703 PolarHBondContact O-N 3.11Å; S703-S705 PolarHBondContact O-N 3.01Å; S703-S705 PolarHBondContact OG-N 2.95Å; S703-S705 PolarHBondContact OG-OG 2.97Å
704P74.9Confident79Confident26 Ų2633.8 Ų33.817%0.16918%0.177CC..G310 helixtrans-78.32.5178.231.2-34.9000114.2L706 F707 L716P704-L706 VanDerWaalsContact C-N 3.3Å; P704-L706 PolarHBondContact O-N 2.84Å; P704-F707 PolarHBondContact O-N 3.02Å; P704-F707 VanDerWaalsContact O-O 3.06Å; P704-L716 HydrophobicContact CB-CD2 3.53Å; P704-L716 HydrophobicContact CB-CG 4.37Å
705S74.9Confident79.5Confident20 Ų2033 Ų3314%0.1417%0.172CC..G310 helixtrans-67-19.8-166.8-68.90000116.2M596 S703 K709M596-S705 WeakPolarHBondContact O-CB 3.25Å; S703-S705 PolarHBondContact O-N 3.01Å; S703-S705 PolarHBondContact OG-N 2.95Å; S703-S705 PolarHBondContact OG-OG 2.97Å; S705-K709 PolarHBondContact OG-NZ 2.96Å
706L75.1Confident79.5Confident6 Ų632.1 Ų32.13%0.03117%0.17CC..G310 helixtrans-74.1-28.4167.7-71.1-174.3000111.7M596 S603 L607 F701 P704M596-L706 HydrophobicContact CB-CD2 4.15Å; M596-L706 HydrophobicContact CB-CG 3.96Å; M596-L706 HydrophobicContact CG-CD1 3.54Å; M596-L706 HydrophobicContact CG-CD2 3.84Å; M596-L706 HydrophobicContact CG-CG 3.48Å; M596-L706 VanDerWaalsContact CG-CG 3.48Å; M596-L706 HydrophobicContact SD-CD1 3.28Å; M596-L706 WeakPolarHBondContact SD-CD1 3.48Å; M596-L706 HydrophobicContact SD-CG 3.55Å; M596-L706 VanDerWaalsContact SD-CG 3.55Å; S603-L706 WeakPolarHBondContact CB-O 3.39Å; S603-L706 PolarHBondContact OG-O 3.36Å; L607-L706 HydrophobicContact CD2-CD1 3.93Å; L607-L706 HydrophobicContact CG-CD1 4.38Å; F701-L706 HydrophobicContact CE1-CD1 4.22Å; P704-L706 VanDerWaalsContact C-N 3.3Å; P704-L706 PolarHBondContact O-N 2.84Å
707F81.4Confident79.5Confident1 Ų132.8 Ų32.80%0.00417%0.173CC..SBendtrans-95.7155.9-173.9-54.8-87.9000111.2L607 F701 P704 K709 L716 V720 W757 W768L607-F707 HydrophobicContact CD1-CD1 4.16Å; L607-F707 HydrophobicContact CD1-CE1 3.58Å; L607-F707 HydrophobicContact CD1-CZ 4.1Å; L607-F707 HydrophobicContact CD2-CE1 3.91Å; L607-F707 HydrophobicContact CD2-CE2 4.36Å; L607-F707 HydrophobicContact CD2-CZ 3.54Å; L607-F707 HydrophobicContact CG-CE1 4.41Å; L607-F707 HydrophobicContact CG-CZ 4.47Å; F701-F707 HydrophobicContact CB-CE2 4.25Å; F701-F707 HydrophobicContact CD1-CE2 4.1Å; F701-F707 HydrophobicContact CD1-CZ 4.46Å; F701-F707 HydrophobicContact CD2-CE2 4.21Å; F701-F707 HydrophobicContact CD2-CZ 4.19Å; F701-F707 HydrophobicContact CE1-CZ 4.48Å; F701-F707 HydrophobicContact CE2-CZ 4.22Å; F701-F707 AromaticContact CG-CE2 3.93Å; F701-F707 HydrophobicContact CG-CE2 3.93Å; F701-F707 HydrophobicContact CG-CZ 4.32Å; F701-F707 HydrophobicContact CZ-CZ 4.37Å; P704-F707 PolarHBondContact O-N 3.02Å; P704-F707 VanDerWaalsContact O-O 3.06Å; F707-K709 PolarHBondContact O-N 3.15Å; F707-L716 HydrophobicContact CB-CD2 4.23Å; F707-V720 HydrophobicContact CD1-CG1 4.47Å; F707-V720 HydrophobicContact CD2-CB 4.09Å; F707-V720 HydrophobicContact CD2-CG1 4.19Å; F707-V720 HydrophobicContact CD2-CG2 3.69Å; F707-V720 HydrophobicContact CE1-CG1 3.94Å; F707-V720 HydrophobicContact CE2-CB 3.73Å; F707-V720 HydrophobicContact CE2-CG1 3.63Å; F707-V720 HydrophobicContact CE2-CG2 3.88Å; F707-V720 HydrophobicContact CG-CG2 4.18Å; F707-V720 HydrophobicContact CZ-CB 4.14Å; F707-V720 HydrophobicContact CZ-CG1 3.49Å; F707-V720 VanDerWaalsContact CZ-CG1 3.49Å; F707-W757 HydrophobicContact CB-CE3 4.39Å; F707-W757 HydrophobicContact CB-CZ3 4.18Å; F707-W757 HydrophobicContact CD1-CB 4.5Å; F707-W757 AromaticContact CD1-CD2 3.82Å; F707-W757 HydrophobicContact CD1-CD2 3.82Å; F707-W757 AromaticContact CD1-CE3 3.82Å; F707-W757 HydrophobicContact CD1-CE3 3.82Å; F707-W757 HydrophobicContact CD1-CG 4.13Å; F707-W757 HydrophobicContact CD1-CZ3 4.34Å; F707-W757 HydrophobicContact CE1-CB 4.44Å; F707-W757 HydrophobicContact CE1-CD2 4.4Å; F707-W757 HydrophobicContact CE1-CG 4.25Å; F707-W768 HydrophobicContact CB-CH2 4.23Å; F707-W768 HydrophobicContact CB-CZ2 3.44Å; F707-W768 VanDerWaalsContact CB-CZ2 3.44Å; F707-W768 AromaticContact CD1-CH2 3.89Å; F707-W768 HydrophobicContact CD1-CH2 3.89Å; F707-W768 AromaticContact CD1-CZ2 3.93Å; F707-W768 HydrophobicContact CD1-CZ2 3.93Å; F707-W768 HydrophobicContact CG-CH2 4.1Å; F707-W768 AromaticContact CG-CZ2 3.81Å; F707-W768 HydrophobicContact CG-CZ2 3.81Å
708M73.4Confident79.5Confident61 Ų6132.7 Ų32.730%0.317%0.173SC..  trans-63.3115176-164.7165.887.500109.4E710 Q711 W757 W768M708-E710 VanDerWaalsContact CE-O 3.29Å; M708-E710 WeakPolarHBondContact CE-O 3.37Å; M708-Q711 HydrophobicContact CE-CB 3.34Å; M708-Q711 HydrophobicContact CE-CG 3.31Å; M708-W757 HydrophobicContact CB-CH2 3.85Å; M708-W757 HydrophobicContact CB-CZ3 3.9Å; M708-W768 PolarHBondContact O-NE1 3.39Å
709K72.3Confident79.5Confident90 Ų9034.5 Ų34.539%0.39118%0.18SC..SBendtrans-70.7-32.3-174-68.2178-177.6171.70112.8S705 F707 S715 L716S705-K709 PolarHBondContact OG-NZ 2.96Å; F707-K709 PolarHBondContact O-N 3.15Å; K709-S715 CarbonylContact O-C 3.58Å; K709-S715 VanDerWaalsContact O-CA 3.25Å; K709-S715 WeakPolarHBondContact O-CA 3.5Å; K709-L716 PolarHBondContact O-N 3.43Å
710E73Confident79.5Confident125 Ų12534.5 Ų34.558%0.58418%0.18SC*.EExtended strand (participates in β ladder)trans-129.3125-176.7-80-178.7-156.200111.3M708 L714 I800M708-E710 VanDerWaalsContact CE-O 3.29Å; M708-E710 WeakPolarHBondContact CE-O 3.37Å; E710-L714 CarbonylContact C-O 3.58Å; E710-L714 VanDerWaalsContact CA-O 3.31Å; E710-L714 WeakPolarHBondContact CA-O 3.24Å; E710-I800 VanDerWaalsContact CD-CD1 3.49Å; E710-I800 HydrophobicContact CG-CD1 3.34Å; E710-I800 WeakPolarHBondContact OE1-CD1 3.49Å
711Q70Confident79.5Confident21 Ų2134.5 Ų34.510%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-137.2119.3174.7-168.5169.3-52.300111M708 G713 L714 W768 L797M708-Q711 HydrophobicContact CE-CB 3.34Å; M708-Q711 HydrophobicContact CE-CG 3.31Å; Q711-G713 VanDerWaalsContact C-N 3.28Å; Q711-G713 PolarHBondContact O-N 2.73Å; Q711-L714 PolarHBondContact N-O 2.59Å; Q711-L714 PolarHBondContact O-N 2.78Å; Q711-L714 VanDerWaalsContact O-N 3.1Å; Q711-W768 PolarHBondContact NE2-O 3.32Å; Q711-L797 HydrophobicContact CB-CD1 4.43Å
712K69.9Low79.4Confident186 Ų18634.6 Ų34.681%0.80918%0.181SC*.THydrogen-bonded Turntrans54.140.5176.5-59176.9180-179.60113.3L714K712-L714 VanDerWaalsContact C-N 3.34Å
713G66.7Low79.5Confident40 Ų4033.8 Ų33.841%0.41218%0.175SC..THydrogen-bonded Turntrans84.30179.900000115.3Q711 I800Q711-G713 VanDerWaalsContact C-N 3.28Å; Q711-G713 PolarHBondContact O-N 2.73Å; G713-I800 PolarHBondContact O-N 3.27Å
714L74.7Confident79.7Confident22 Ų2234.2 Ų34.212%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-105132.2177.5-55.7163.9000111.9E710 Q711 K712 K753 L797 M798 D799E710-L714 CarbonylContact C-O 3.58Å; E710-L714 VanDerWaalsContact CA-O 3.31Å; E710-L714 WeakPolarHBondContact CA-O 3.24Å; Q711-L714 PolarHBondContact N-O 2.59Å; Q711-L714 PolarHBondContact O-N 2.78Å; Q711-L714 VanDerWaalsContact O-N 3.1Å; K712-L714 VanDerWaalsContact C-N 3.34Å; L714-K753 HydrophobicContact CD1-CD 4.09Å; L714-L797 HydrophobicContact CB-CB 3.95Å; L714-L797 HydrophobicContact CB-CD1 4.42Å; L714-L797 HydrophobicContact CD1-CB 4.25Å; L714-L797 HydrophobicContact CD1-CD1 4.48Å; L714-M798 CarbonylContact C-O 3.59Å; L714-M798 WeakPolarHBondContact CA-O 3.45Å; L714-M798 VanDerWaalsContact CB-O 3.24Å; L714-M798 WeakPolarHBondContact CB-O 3.44Å; L714-D799 HydrophobicContact CD2-CB 3.89Å
715S78.6Confident80Confident18 Ų1833.3 Ų33.313%0.12617%0.172CC..EExtended strand (participates in β ladder)trans-78.1148.7165.830.80000111.1K709 N717 L797 M798 I800K709-S715 CarbonylContact O-C 3.58Å; K709-S715 VanDerWaalsContact O-CA 3.25Å; K709-S715 WeakPolarHBondContact O-CA 3.5Å; S715-N717 PolarHBondContact O-N 3.11Å; S715-L797 VanDerWaalsContact C-CD2 3.45Å; S715-L797 CarbonylContact O-C 3.58Å; S715-L797 WeakPolarHBondContact O-CA 3.27Å; S715-L797 WeakPolarHBondContact O-CD2 3.26Å; S715-M798 PolarHBondContact N-O 3.14Å; S715-M798 PolarHBondContact O-N 3.49Å; S715-M798 PolarHBondContact OG-O 3.49Å; S715-I800 VanDerWaalsContact CA-CD1 3.48Å; S715-I800 VanDerWaalsContact CA-CG1 3.49Å; S715-I800 VanDerWaalsContact N-CG1 3.33Å; S715-I800 WeakPolarHBondContact OG-CG1 3.49Å
716L83.8Confident79.8Confident14 Ų1433.3 Ų33.37%0.07318%0.175CC..EExtended strand (participates in β ladder)trans-73.9115.3151-169.467.2000110.6P704 F707 K709 V720 W768 I796 L797P704-L716 HydrophobicContact CB-CD2 3.53Å; P704-L716 HydrophobicContact CB-CG 4.37Å; F707-L716 HydrophobicContact CB-CD2 4.23Å; K709-L716 PolarHBondContact O-N 3.43Å; L716-V720 HydrophobicContact CD1-CG2 4.48Å; L716-V720 HydrophobicContact CD2-CG2 3.82Å; L716-W768 HydrophobicContact CD1-CH2 4.25Å; L716-W768 HydrophobicContact CD1-CZ2 3.8Å; L716-W768 HydrophobicContact CD2-CH2 4.45Å; L716-W768 HydrophobicContact CD2-CZ2 3.63Å; L716-W768 HydrophobicContact CG-CZ2 4.36Å; L716-I796 WeakPolarHBondContact CD1-O 3.49Å; L716-L797 HydrophobicContact CB-CD2 3.98Å; L716-L797 HydrophobicContact CD1-CD2 4.25Å
717N84.6Confident79.5Confident14 Ų1439 Ų398%0.07521%0.205CC..  trans-118.938.7175.4-174.955.8000111.7S715 H743 L744 S745 I796 M798S715-N717 PolarHBondContact O-N 3.11Å; N717-H743 WeakPolarHBondContact O-CA 3.29Å; N717-L744 PolarHBondContact O-N 3.4Å; N717-L744 VanDerWaalsContact O-N 3.11Å; N717-S745 VanDerWaalsContact CG-OG 3.32Å; N717-S745 PolarHBondContact ND2-O 3.4Å; N717-S745 PolarHBondContact ND2-OG 2.97Å; N717-S745 PolarHBondContact OD1-N 3.45Å; N717-S745 PolarHBondContact OD1-OG 3.09Å; N717-I796 PolarHBondContact N-O 2.86Å; N717-M798 HydrophobicContact CB-CB 4.43Å; N717-M798 HydrophobicContact CB-CE 3.24Å; N717-M798 HydrophobicContact CB-CG 3.9Å; N717-M798 HydrophobicContact CB-SD 3.58Å; N717-M798 VanDerWaalsContact CB-SD 3.58Å; N717-M798 WeakPolarHBondContact ND2-CE 3.39Å; N717-M798 PolarHBondContact ND2-SD 2.75Å
718S87.1Confident78.9Confident0 Ų041.6 Ų41.60%022%0.219CC..BIsolated β-bridgetrans-142.5163.5175.271.40000110.5I796S718-I796 PolarHBondContact OG-N 3.33Å
719Y89.8Confident78.9Confident38 Ų3843.7 Ų43.715%0.14924%0.239CC..  trans-61.4161155.8-55.7-71.1000110.1L670 F700 S702 L744L670-Y719 HydrophobicContact CB-CD2 4.31Å; L670-Y719 HydrophobicContact CB-CE2 4.24Å; L670-Y719 HydrophobicContact CD2-CE2 4.09Å; F700-Y719 HydrophobicContact CE2-CD1 4.28Å; F700-Y719 HydrophobicContact CE2-CD2 4.28Å; F700-Y719 AromaticContact CE2-CG 3.78Å; F700-Y719 HydrophobicContact CE2-CG 3.78Å; F700-Y719 AromaticContact CZ-CD1 3.74Å; F700-Y719 HydrophobicContact CZ-CD1 3.74Å; F700-Y719 HydrophobicContact CZ-CD2 4.21Å; F700-Y719 HydrophobicContact CZ-CE1 4.29Å; F700-Y719 AromaticContact CZ-CG 3.67Å; F700-Y719 HydrophobicContact CZ-CG 3.67Å; S702-Y719 WeakPolarHBondContact O-CD1 3.39Å; S702-Y719 WeakPolarHBondContact O-CE1 3.11Å; Y719-L744 HydrophobicContact CD1-CD2 3.86Å; Y719-L744 HydrophobicContact CD2-CD2 4.18Å; Y719-L744 HydrophobicContact CE1-CD2 3.42Å; Y719-L744 VanDerWaalsContact CE1-CD2 3.42Å; Y719-L744 HydrophobicContact CE2-CD2 3.74Å; Y719-L744 HydrophobicContact CG-CD2 4.25Å
720V90.2Very high79.2Confident1 Ų140.1 Ų40.11%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-110.1133.3175.3179.20000108.3F701 F707 L716 W768 F794F701-V720 HydrophobicContact CB-CB 4.15Å; F701-V720 HydrophobicContact CD2-CB 4.32Å; F701-V720 HydrophobicContact CD2-CG1 4.24Å; F701-V720 PolarHBondContact N-O 3.32Å; F701-V720 PolarHBondContact O-N 3.02Å; F707-V720 HydrophobicContact CD1-CG1 4.47Å; F707-V720 HydrophobicContact CD2-CB 4.09Å; F707-V720 HydrophobicContact CD2-CG1 4.19Å; F707-V720 HydrophobicContact CD2-CG2 3.69Å; F707-V720 HydrophobicContact CE1-CG1 3.94Å; F707-V720 HydrophobicContact CE2-CB 3.73Å; F707-V720 HydrophobicContact CE2-CG1 3.63Å; F707-V720 HydrophobicContact CE2-CG2 3.88Å; F707-V720 HydrophobicContact CG-CG2 4.18Å; F707-V720 HydrophobicContact CZ-CB 4.14Å; F707-V720 HydrophobicContact CZ-CG1 3.49Å; F707-V720 VanDerWaalsContact CZ-CG1 3.49Å; L716-V720 HydrophobicContact CD1-CG2 4.48Å; L716-V720 HydrophobicContact CD2-CG2 3.82Å; V720-W768 HydrophobicContact CG1-CH2 4.21Å; V720-W768 HydrophobicContact CG2-CH2 3.93Å; V720-W768 HydrophobicContact CG2-CZ2 4.3Å; V720-F794 WeakPolarHBondContact CA-O 3.22Å; V720-F794 WeakPolarHBondContact CG1-O 3.43Å
721V91.2Very high79.5Confident0 Ų038.4 Ų38.40%022%0.223CC..EExtended strand (participates in β ladder)trans-122.5139.9175.5-73.40000110.3A671 V673 F698 M699 F700 I739 I741 H793 F794A671-V721 HydrophobicContact CB-CG1 3.36Å; V673-V721 HydrophobicContact CG2-CB 4.35Å; V673-V721 HydrophobicContact CG2-CG2 3.98Å; F698-V721 HydrophobicContact CE2-CB 4.14Å; F698-V721 HydrophobicContact CE2-CG1 4.17Å; F698-V721 HydrophobicContact CZ-CB 4.43Å; F698-V721 HydrophobicContact CZ-CG1 3.95Å; M699-V721 CarbonylContact O-C 3.57Å; M699-V721 VanDerWaalsContact O-CA 3.29Å; M699-V721 WeakPolarHBondContact O-CA 3.26Å; F700-V721 HydrophobicContact CD2-CG1 3.8Å; V721-I739 HydrophobicContact CG2-CG2 3.81Å; V721-I741 HydrophobicContact CG2-CD1 3.79Å; V721-I741 HydrophobicContact CG2-CG1 4.12Å; V721-H793 CarbonylContact O-C 3.59Å; V721-F794 HydrophobicContact CG2-CB 4.31Å; V721-F794 PolarHBondContact N-O 2.8Å; V721-F794 VanDerWaalsContact N-O 3.11Å; V721-F794 PolarHBondContact O-N 3.37Å
722A88.9Confident80.1Confident3 Ų343.4 Ų43.43%0.02525%0.25CC..EExtended strand (participates in β ladder)trans-124.7145.5173.100000110F698 M699 F701 T792 H793F698-A722 CarbonylContact C-O 3.56Å; F698-A722 WeakPolarHBondContact CA-O 3.29Å; M699-A722 HydrophobicContact CB-CB 4.13Å; M699-A722 PolarHBondContact N-O 2.99Å; M699-A722 PolarHBondContact O-N 3.13Å; M699-A722 HydrophobicContact SD-CB 4.47Å; F701-A722 HydrophobicContact CE2-CB 4.5Å; A722-T792 WeakPolarHBondContact CA-O 3.14Å; A722-H793 HydrophobicContact CB-CB 4.06Å; A722-H793 VanDerWaalsContact CB-CD2 3.46Å; A722-H793 WeakPolarHBondContact CB-CD2 3.32Å
723S87.9Confident80.7Confident4 Ų435.6 Ų35.63%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-141.8140.4169.4-172.50000110.5N697 L791 T792N697-S723 WeakPolarHBondContact O-CA 3.35Å; N697-S723 WeakPolarHBondContact O-CB 3.26Å; N697-S723 PolarHBondContact O-OG 2.93Å; S723-L791 WeakPolarHBondContact O-CB 3.32Å; S723-T792 PolarHBondContact N-O 3.25Å
724S85.2Confident81.4Confident28 Ų2842.3 Ų42.320%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-143.9155.618061.70000111I696 N697I696-S724 WeakPolarHBondContact CA-O 3.49Å; N697-S724 WeakPolarHBondContact CB-OG 3.31Å; N697-S724 PolarHBondContact N-O 3.29Å; N697-S724 PolarHBondContact ND2-OG 3.17Å; N697-S724 PolarHBondContact O-N 3.5Å; N697-S724 VanDerWaalsContact O-N 3.13Å
725V81Confident82Confident8 Ų845.4 Ų45.45%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-120105.7179.2-176.20000109.2L638 L679 R695 I696 N727 I728 I730 L791L638-V725 HydrophobicContact CD2-CG1 3.84Å; L679-V725 HydrophobicContact CD2-CG2 3.92Å; R695-V725 WeakPolarHBondContact O-CA 3.32Å; I696-V725 HydrophobicContact CG1-CG2 4.27Å; V725-N727 PolarHBondContact O-N 3.06Å; V725-I728 PolarHBondContact O-N 3.2Å; V725-I730 HydrophobicContact CB-CD1 3.99Å; V725-I730 HydrophobicContact CG2-CD1 4.02Å; V725-L791 HydrophobicContact CG2-CD1 3.64Å
726G71.3Confident82.5Confident20 Ų2047.3 Ų47.321%0.20627%0.266CS..THydrogen-bonded Turntrans51.4-137.9-176.800000113R695R695-G726 PolarHBondContact O-N 3.5Å
727N68.8Low82.9Confident124 Ų12446.7 Ų46.766%0.66326%0.263SS*.THydrogen-bonded Turntrans-101.624.2178.5-159.626.5000113.1K615 V725K615-N727 PolarHBondContact NZ-OD1 2.98Å; K615-N727 VanDerWaalsContact NZ-OD1 3.16Å; V725-N727 PolarHBondContact O-N 3.06Å
728I69.1Low83.2Confident57 Ų5749.5 Ų49.529%0.29227%0.274SS..BIsolated β-bridgetrans-112.7127.3-175.1-54.8173.7000108.9V683 V687 V725 I730V683-I728 HydrophobicContact CG1-CD1 4.35Å; V687-I728 HydrophobicContact CG1-CD1 4.33Å; V725-I728 PolarHBondContact O-N 3.2Å; I728-I730 HydrophobicContact CG2-CG1 4.49Å; I728-I730 PolarHBondContact O-N 3Å
729S73.2Confident83.4Confident104 Ų10449.5 Ų49.573%0.72727%0.274SS*.  trans-80.8109169.857.10000109.7
730I77.5Confident83.5Confident15 Ų1549.1 Ų49.18%0.07727%0.274CS..  trans-88.3118.9177.1-58.7-178.9000109L679 V725 I728 L733 H790 L791L679-I730 HydrophobicContact CD1-CD1 4.2Å; L679-I730 HydrophobicContact CD1-CG2 4.42Å; L679-I730 HydrophobicContact CG-CD1 4.05Å; V725-I730 HydrophobicContact CB-CD1 3.99Å; V725-I730 HydrophobicContact CG2-CD1 4.02Å; I728-I730 HydrophobicContact CG2-CG1 4.49Å; I728-I730 PolarHBondContact O-N 3Å; I730-L733 HydrophobicContact CG2-CD1 3.91Å; I730-L733 HydrophobicContact CG2-CD2 3.74Å; I730-L733 HydrophobicContact CG2-CG 3.74Å; I730-H790 VanDerWaalsContact O-CA 3.28Å; I730-H790 WeakPolarHBondContact O-CA 3.4Å; I730-H790 WeakPolarHBondContact O-CB 3.41Å; I730-L791 HydrophobicContact CB-CD1 4.43Å; I730-L791 HydrophobicContact CD1-CD1 4.15Å; I730-L791 PolarHBondContact O-N 2.77Å
731T81Confident83.5Confident90 Ų9049.1 Ų49.155%0.55227%0.274SS*.  trans-130161.9176.160.40000110.4L733 N789 H790T731-L733 PolarHBondContact O-N 3.22Å; T731-N789 CarbonylContact C-O 3.51Å; T731-H790 HydrophobicContact CG2-CB 4.2Å
732D80.8Confident83.4Confident125 Ų12550.2 Ų50.267%0.66828%0.283SS*.SBendtrans59.240.7175.9-54.9-49000114.9N789D732-N789 PolarHBondContact N-O 3.15Å
733L83.3Confident83.3Confident22 Ų2251 Ų5112%0.11529%0.286CS..  trans-60.7136.5173.1-73.6160.2000111.7L679 I730 T731 D735 V737 N789L679-L733 HydrophobicContact CD1-CD1 3.86Å; L679-L733 HydrophobicContact CD1-CD2 3.86Å; I730-L733 HydrophobicContact CG2-CD1 3.91Å; I730-L733 HydrophobicContact CG2-CD2 3.74Å; I730-L733 HydrophobicContact CG2-CG 3.74Å; T731-L733 PolarHBondContact O-N 3.22Å; L733-D735 WeakPolarHBondContact CB-O 3.45Å; L733-V737 HydrophobicContact CD1-CG2 3.78Å; L733-N789 PolarHBondContact N-O 2.65Å
734Q81.8Confident83Confident181 Ų18154.4 Ų54.485%0.84630%0.304SS*.SBendtrans-70.1-46.5174.8-71.3-145.8-0.800112
735D87.1Confident82.6Confident88 Ų8855.4 Ų55.447%0.47131%0.311SS..SBendtrans-95.8126.7170.4-60.8-52.3000109.1P676 S678 L733P676-D735 HydrophobicContact CB-CB 3.75Å; P676-D735 HydrophobicContact CG-CB 4.18Å; S678-D735 WeakPolarHBondContact CB-OD2 3.47Å; S678-D735 WeakPolarHBondContact OG-CB 3.24Å; S678-D735 PolarHBondContact OG-OD2 3.47Å; L733-D735 WeakPolarHBondContact CB-O 3.45Å
736P90.1Very high81.9Confident58 Ų5861 Ų6138%0.37734%0.34SS..PPolyproline II helixtrans-72.1149.1-177.929.3-34.4000111.7K738 L787 C788P736-K738 PolarHBondContact O-N 3.07Å; P736-L787 HydrophobicContact CB-CB 4.01Å; P736-L787 HydrophobicContact CG-CB 4.19Å; P736-L787 HydrophobicContact CG-CD2 4.3Å; P736-C788 CarbonylContact C-O 3.58Å; P736-C788 WeakPolarHBondContact CA-O 3.47Å
737V90.6Very high81.3Confident0 Ų064.1 Ų64.10%035%0.35CS..EExtended strand (participates in β ladder)trans-69.3126.8166.3-179.60000108.5V673 L675 L733 I739 C788 L791V673-V737 HydrophobicContact CG1-CG1 3.81Å; L675-V737 HydrophobicContact CD2-CG1 3.82Å; L675-V737 HydrophobicContact CD2-CG2 4.12Å; L733-V737 HydrophobicContact CD1-CG2 3.78Å; V737-I739 HydrophobicContact CG1-CD1 4.3Å; V737-I739 HydrophobicContact CG1-CG1 3.88Å; V737-C788 PolarHBondContact N-O 2.72Å; V737-C788 PolarHBondContact O-N 3.48Å; V737-C788 VanDerWaalsContact O-N 3.1Å; V737-L791 HydrophobicContact CG1-CD2 4.3Å; V737-L791 HydrophobicContact CG2-CD2 3.84Å; V737-L791 HydrophobicContact CG2-CG 4.45Å
738K91.3Very high80.5Confident73 Ų7365 Ų6532%0.31736%0.359SS..EExtended strand (participates in β ladder)trans-93.7117.2178.6-175.3179-172169.80109.3T674 P736 E778 I785 L787T674-K738 PolarHBondContact N-O 3.37Å; T674-K738 PolarHBondContact O-N 2.99Å; T674-K738 VanDerWaalsContact O-N 3.11Å; P736-K738 PolarHBondContact O-N 3.07Å; K738-E778 IonicContact NZ-OE2 3.66Å; K738-E778 PolarHBondContact NZ-OE2 3.32Å; K738-I785 HydrophobicContact CD-CG2 4.32Å; K738-I785 HydrophobicContact CG-CG2 3.83Å; K738-L787 HydrophobicContact CB-CD2 4.26Å; K738-L787 HydrophobicContact CG-CD2 4.23Å
739I91.8Very high79.8Confident0 Ų068.5 Ų68.50%037%0.374CS..EExtended strand (participates in β ladder)trans-120.7112.1-175.2-54.2174000108.4Q672 V673 V721 V737 I741 I785 C786 C788 F794Q672-I739 CarbonylContact O-C 3.47Å; Q672-I739 WeakPolarHBondContact O-CA 3.26Å; V673-I739 HydrophobicContact CG1-CG1 4.45Å; V673-I739 HydrophobicContact CG2-CG1 4.26Å; V673-I739 HydrophobicContact CG2-CG2 4.07Å; V721-I739 HydrophobicContact CG2-CG2 3.81Å; V737-I739 HydrophobicContact CG1-CD1 4.3Å; V737-I739 HydrophobicContact CG1-CG1 3.88Å; I739-I741 HydrophobicContact CG2-CD1 3.83Å; I739-I741 HydrophobicContact CG2-CG1 3.83Å; I739-I785 CarbonylContact O-C 3.52Å; I739-I785 WeakPolarHBondContact O-CA 3.35Å; I739-C786 HydrophobicContact CB-CB 4.19Å; I739-C786 PolarHBondContact N-O 3.49Å; I739-C786 PolarHBondContact O-N 3.48Å; I739-C788 HydrophobicContact CD1-CB 4.42Å; I739-F794 HydrophobicContact CD1-CB 3.99Å; I739-F794 HydrophobicContact CD1-CD1 3.55Å; I739-F794 HydrophobicContact CD1-CD2 3.32Å; I739-F794 HydrophobicContact CD1-CE1 3.74Å; I739-F794 HydrophobicContact CD1-CE2 3.51Å; I739-F794 HydrophobicContact CD1-CG 3.32Å; I739-F794 HydrophobicContact CD1-CZ 3.71Å
740E90.9Very high79.1Confident31 Ų3170.9 Ų70.915%0.14538%0.378CS..EExtended strand (participates in β ladder)trans-104.4125.8176.7-179.9173.5173.300108.8A671 Q672 R783 T784 I785A671-E740 CarbonylContact C-O 3.57Å; A671-E740 WeakPolarHBondContact CA-O 3.42Å; Q672-E740 HydrophobicContact CB-CB 4.3Å; Q672-E740 PolarHBondContact N-O 2.97Å; Q672-E740 PolarHBondContact O-N 3.47Å; E740-R783 WeakPolarHBondContact OE1-CD 3.44Å; E740-R783 IonicContact OE1-CZ 2.79Å; E740-R783 IonicContact OE1-NE 2.8Å; E740-R783 IonicContact OE1-NH1 3.31Å; E740-R783 PolarHBondContact OE1-NH1 3.03Å; E740-T784 WeakPolarHBondContact CA-O 3.38Å; E740-I785 HydrophobicContact CB-CG1 4.13Å; E740-I785 HydrophobicContact CG-CG1 4.02Å
741I90.9Very high78.6Confident1 Ų175.6 Ų75.61%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-135.3132178.9-48.4165.2000109.1A671 V721 I739 R783 T784 I796A671-I741 HydrophobicContact CB-CG1 4.3Å; A671-I741 HydrophobicContact CB-CG2 4.3Å; V721-I741 HydrophobicContact CG2-CD1 3.79Å; V721-I741 HydrophobicContact CG2-CG1 4.12Å; I739-I741 HydrophobicContact CG2-CD1 3.83Å; I739-I741 HydrophobicContact CG2-CG1 3.83Å; I741-R783 WeakPolarHBondContact O-CA 3.07Å; I741-T784 PolarHBondContact N-O 3.45Å; I741-T784 PolarHBondContact O-N 2.99Å; I741-I796 HydrophobicContact CB-CD1 3.67Å; I741-I796 HydrophobicContact CD1-CD1 4.1Å; I741-I796 HydrophobicContact CD1-CG1 4.27Å; I741-I796 HydrophobicContact CG1-CD1 4.35Å; I741-I796 HydrophobicContact CG2-CD1 4.28Å
742A88.6Confident78.6Confident22 Ų2273.1 Ų73.118%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-71.9141.9173.700000110.9L670L670-A742 WeakPolarHBondContact O-CB 2.99Å; L670-A742 PolarHBondContact O-N 3.26Å
743H86.7Confident78.8Confident19 Ų1971.7 Ų71.79%0.08838%0.375CS..BIsolated β-bridgetrans-73.7144.9175.4-60.2157000110.7N717 S745 S781 S782 T784N717-H743 WeakPolarHBondContact O-CA 3.29Å; H743-S745 VanDerWaalsContact CB-O 3.29Å; H743-S745 WeakPolarHBondContact CB-O 3.47Å; H743-S745 PolarHBondContact O-N 2.96Å; H743-S781 PolarHBondContact ND1-O 3.13Å; H743-S782 PolarHBondContact N-O 3.02Å; H743-T784 PolarHBondContact CE1-OG1 3Å; H743-T784 PolarHBondContact NE2-N 2.8Å; H743-T784 PolarHBondContact NE2-OG1 2.93Å
744L81.7Confident79.2Confident76 Ų7670.9 Ų70.940%0.39837%0.372SS..SBendtrans-70.3-24.7171.2-63.1174.1000111.7N717 Y719N717-L744 PolarHBondContact O-N 3.4Å; N717-L744 VanDerWaalsContact O-N 3.11Å; Y719-L744 HydrophobicContact CD1-CD2 3.86Å; Y719-L744 HydrophobicContact CD2-CD2 4.18Å; Y719-L744 HydrophobicContact CE1-CD2 3.42Å; Y719-L744 VanDerWaalsContact CE1-CD2 3.42Å; Y719-L744 HydrophobicContact CE2-CD2 3.74Å; Y719-L744 HydrophobicContact CG-CD2 4.25Å
745S76.7Confident79.6Confident50 Ų5062.5 Ų62.535%0.3533%0.333SS..SBendtrans-140.5134.1174.660.30000110.8N717 H743N717-S745 VanDerWaalsContact CG-OG 3.32Å; N717-S745 PolarHBondContact ND2-O 3.4Å; N717-S745 PolarHBondContact ND2-OG 2.97Å; N717-S745 PolarHBondContact OD1-N 3.45Å; N717-S745 PolarHBondContact OD1-OG 3.09Å; H743-S745 VanDerWaalsContact CB-O 3.29Å; H743-S745 WeakPolarHBondContact CB-O 3.47Å; H743-S745 PolarHBondContact O-N 2.96Å
746D67.5Low79.7Confident124 Ų12459.4 Ų59.466%0.66332%0.315SS*.  trans-64.1137.8179.1-76.3-29.9000111.6S782D746-S782 WeakPolarHBondContact OD1-CA 3.49Å; D746-S782 WeakPolarHBondContact OD1-CB 3.18Å
747Q57.9Low79.6Confident87 Ų8757 Ų5741%0.40730%0.299SS..  trans-135.2138-178.2-67.2-62.7-26.800113H749 S781 M798Q747-H749 PolarHBondContact O-N 3.37Å; Q747-S781 PolarHBondContact N-O 3.21Å; Q747-S781 VanDerWaalsContact N-O 3.1Å; Q747-S781 WeakPolarHBondContact O-CA 3.31Å; Q747-S781 WeakPolarHBondContact O-CB 3.49Å; Q747-M798 HydrophobicContact CG-CE 3.58Å; Q747-M798 HydrophobicContact CG-SD 4.01Å
748V52.8Low79.4Confident141 Ų14158.5 Ų58.586%0.85531%0.307SS*.SBendtrans-88.625.6-172.4-1730000112.7
749H54.1Low79Confident131 Ų13157.6 Ų57.661%0.60630%0.303SS*.  trans77.2119.2-172.5-68-40000117.1Q747Q747-H749 PolarHBondContact O-N 3.37Å
750L58.3Low78.6Confident155 Ų15562 Ų6281%0.81233%0.333SS*.SBendtrans-171.5132.4138.9-96.3136.7000109.8
751N67.2Low78.1Confident114 Ų11463 Ų6361%0.6134%0.339SS*.  trans40.172.8173.8-85.7-16.9000118.5
752V80.1Confident77.3Confident38 Ų3866.9 Ų66.923%0.2336%0.36CS..  trans-87135.5167.5-174.70000110.3T784 I796V752-T784 HydrophobicContact CG1-CG2 3.88Å; V752-I796 HydrophobicContact CG1-CG2 3.23Å
753K86.6Confident76.6Confident94 Ų9478.2 Ų78.241%0.40940%0.398SS..EExtended strand (participates in β ladder)trans-124122.9173.1-70.3-175.3-179.5174.10111.1L714 V755 L797L714-K753 HydrophobicContact CD1-CD 4.09Å; K753-V755 HydrophobicContact CB-CG1 4.36Å; K753-L797 PolarHBondContact N-O 3.29Å; K753-L797 PolarHBondContact O-N 3.47Å
754C89.9Confident75.8Confident5 Ų578.9 Ų78.93%0.03441%0.41CS..EExtended strand (participates in β ladder)trans-71.1124.9165.5-650000109.4C773 V775 C786C754-C773 HydrophobicContact CB-CB 4.02Å; C754-V775 HydrophobicContact CB-CG2 4.37Å; C754-V775 WeakPolarHBondContact SG-CG2 3.5Å; C754-C786 HydrophobicContact CB-CB 3.66Å; C754-C786 WeakPolarHBondContact CB-SG 3.46Å; C754-C786 WeakPolarHBondContact SG-CA 3.24Å; C754-C786 WeakPolarHBondContact SG-CB 3.49Å; C754-C786 CovalentContact SG-SG 2.02Å; C754-C786 PolarHBondContact SG-SG 3.24Å
755V90.4Very high75.2Confident6 Ų681.2 Ų81.24%0.03642%0.423CS..EExtended strand (participates in β ladder)trans-133.9162.8-179.6-64.20000111K753 W768 N769 N770 F794 G795 L797K753-V755 HydrophobicContact CB-CG1 4.36Å; V755-W768 HydrophobicContact CB-CB 4.2Å; V755-W768 HydrophobicContact CB-CE3 4.13Å; V755-W768 HydrophobicContact CG2-CB 4.05Å; V755-W768 HydrophobicContact CG2-CD2 3.79Å; V755-W768 HydrophobicContact CG2-CE3 3.42Å; V755-W768 VanDerWaalsContact CG2-CE3 3.42Å; V755-W768 HydrophobicContact CG2-CG 4.09Å; V755-W768 HydrophobicContact CG2-CZ3 4.14Å; V755-N769 CarbonylContact C-O 3.6Å; V755-N769 WeakPolarHBondContact CA-O 3.46Å; V755-N769 VanDerWaalsContact CB-O 3.32Å; V755-N769 WeakPolarHBondContact CB-O 3.42Å; V755-N770 HydrophobicContact CG1-CB 4.09Å; V755-F794 WeakPolarHBondContact O-CA 3.13Å; V755-G795 WeakPolarHBondContact CG2-O 3.12Å; V755-G795 PolarHBondContact N-O 2.97Å; V755-G795 PolarHBondContact O-N 3.29Å; V755-L797 HydrophobicContact CG1-CD1 4Å; V755-L797 HydrophobicContact CG1-CG 4.31Å; V755-L797 HydrophobicContact CG2-CB 4.39Å; V755-L797 HydrophobicContact CG2-CD1 4Å; V755-L797 HydrophobicContact CG2-CG 3.67Å
756F90.4Very high75.2Confident22 Ų2279 Ų7910%0.09641%0.407CS..EExtended strand (participates in β ladder)trans-128.7156.6170.876-82.5000111.1D758 W768 N769 R771 H790 T792 H793 F794F756-D758 HydrophobicContact CE2-CB 3.91Å; F756-D758 HydrophobicContact CZ-CB 4.36Å; F756-D758 PolarHBondContact O-N 3.46Å; F756-W768 WeakPolarHBondContact O-CA 3.5Å; F756-N769 HydrophobicContact CD1-CB 4.18Å; F756-N769 WeakPolarHBondContact CD1-O 3.35Å; F756-N769 HydrophobicContact CE1-CB 3.65Å; F756-N769 HydrophobicContact CE2-CB 4.39Å; F756-N769 HydrophobicContact CZ-CB 3.77Å; F756-N769 PolarHBondContact N-O 3.27Å; F756-N769 PolarHBondContact O-N 3.02Å; F756-R771 HydrophobicContact CE1-CB 4.36Å; F756-R771 VanDerWaalsContact CE1-O 3.22Å; F756-R771 WeakPolarHBondContact CE1-O 3.35Å; F756-H790 AromaticContact CD1-CE1 3.41Å; F756-H790 VanDerWaalsContact CD1-CE1 3.41Å; F756-H790 WeakPolarHBondContact CD1-CE1 3.5Å; F756-H790 AromaticContact CD1-NE2 3.54Å; F756-H790 AromaticContact CD2-CE1 3.9Å; F756-H790 AromaticContact CE1-CE1 3.87Å; F756-H790 AromaticContact CE1-NE2 3.64Å; F756-H790 AromaticContact CG-CE1 3.43Å; F756-H790 VanDerWaalsContact CG-CE1 3.43Å; F756-H790 WeakPolarHBondContact CG-CE1 3.4Å; F756-T792 WeakPolarHBondContact CB-OG1 3.34Å; F756-T792 HydrophobicContact CD2-CG2 3.89Å; F756-T792 WeakPolarHBondContact CD2-OG1 3.41Å; F756-T792 HydrophobicContact CE2-CG2 4.31Å; F756-H793 CarbonylContact C-O 3.58Å; F756-H793 WeakPolarHBondContact CA-O 2.95Å; F756-H793 WeakPolarHBondContact CB-O 3.19Å; F756-F794 HydrophobicContact CB-CD1 3.94Å; F756-F794 HydrophobicContact CB-CE1 4.2Å
757W87.5Confident76Confident9 Ų973 Ų733%0.03438%0.376CS..EExtended strand (participates in β ladder)trans-80.1117177.5-166.3-107000110.2N604 F707 M708 F759 W768 H793N604-W757 PolarHBondContact OD1-NE1 3Å; F707-W757 HydrophobicContact CB-CE3 4.39Å; F707-W757 HydrophobicContact CB-CZ3 4.18Å; F707-W757 HydrophobicContact CD1-CB 4.5Å; F707-W757 AromaticContact CD1-CD2 3.82Å; F707-W757 HydrophobicContact CD1-CD2 3.82Å; F707-W757 AromaticContact CD1-CE3 3.82Å; F707-W757 HydrophobicContact CD1-CE3 3.82Å; F707-W757 HydrophobicContact CD1-CG 4.13Å; F707-W757 HydrophobicContact CD1-CZ3 4.34Å; F707-W757 HydrophobicContact CE1-CB 4.44Å; F707-W757 HydrophobicContact CE1-CD2 4.4Å; F707-W757 HydrophobicContact CE1-CG 4.25Å; M708-W757 HydrophobicContact CB-CH2 3.85Å; M708-W757 HydrophobicContact CB-CZ3 3.9Å; W757-F759 AromaticContact CD1-CD1 3.85Å; W757-F759 AromaticContact CD1-CE1 3.68Å; W757-F759 AromaticContact CD1-CZ 3.95Å; W757-F759 AromaticContact NE1-CD1 3.85Å; W757-F759 AromaticContact NE1-CE1 3.84Å; W757-W768 HydrophobicContact CB-CE3 4.42Å; W757-W768 HydrophobicContact CB-CZ3 4.09Å; W757-W768 AromaticContact CE3-CD2 3.72Å; W757-W768 HydrophobicContact CE3-CD2 3.72Å; W757-W768 AromaticContact CE3-CE2 3.66Å; W757-W768 HydrophobicContact CE3-CE3 4.01Å; W757-W768 HydrophobicContact CE3-CG 4.2Å; W757-W768 HydrophobicContact CE3-CH2 4.2Å; W757-W768 AromaticContact CE3-CZ2 3.93Å; W757-W768 HydrophobicContact CE3-CZ2 3.93Å; W757-W768 HydrophobicContact CE3-CZ3 4.24Å; W757-W768 HydrophobicContact CZ3-CD2 4.14Å; W757-W768 AromaticContact CZ3-CE2 3.83Å; W757-W768 HydrophobicContact CZ3-CG 4.27Å; W757-W768 HydrophobicContact CZ3-CZ2 4.3Å; W757-W768 AromaticContact CZ3-NE1 3.75Å; W757-H793 HydrophobicContact CB-CB 3.84Å; W757-H793 PolarHBondContact N-O 3.44Å
758D86.5Confident77.5Confident31 Ų3169.2 Ų69.217%0.16636%0.358CS..EExtended strand (participates in β ladder)trans-104.8106.7178.2-174.8-16.4000109.6F756 S760 M761 G766 G767 N769F756-D758 HydrophobicContact CE2-CB 3.91Å; F756-D758 HydrophobicContact CZ-CB 4.36Å; F756-D758 PolarHBondContact O-N 3.46Å; D758-S760 PolarHBondContact O-N 3.14Å; D758-S760 VanDerWaalsContact O-N 3.16Å; D758-S760 WeakPolarHBondContact OD1-CB 3.49Å; D758-S760 PolarHBondContact OD1-N 3.48Å; D758-S760 PolarHBondContact OD1-OG 3.14Å; D758-M761 HydrophobicContact CB-CG 3.93Å; D758-M761 HydrophobicContact CB-SD 4.01Å; D758-M761 PolarHBondContact O-N 2.73Å; D758-G766 VanDerWaalsContact O-CA 3.3Å; D758-G766 WeakPolarHBondContact O-CA 3.4Å; D758-G767 PolarHBondContact N-O 2.89Å; D758-G767 PolarHBondContact O-N 3.2Å; D758-G767 VanDerWaalsContact O-N 3.09Å; D758-N769 HydrophobicContact CB-CB 3.87Å; D758-N769 PolarHBondContact OD2-ND2 3.02Å
759F83.1Confident79.1Confident53 Ų5363.4 Ų63.423%0.23232%0.322CS..THydrogen-bonded Turntrans-63.5-16.1-179.5-65.9-76.9000113.9L607 K608 W757 H793L607-F759 HydrophobicContact CB-CE1 4Å; L607-F759 HydrophobicContact CB-CZ 4.2Å; L607-F759 HydrophobicContact CD1-CE1 4.18Å; K608-F759 HydrophobicContact CG-CE1 4.4Å; W757-F759 AromaticContact CD1-CD1 3.85Å; W757-F759 AromaticContact CD1-CE1 3.68Å; W757-F759 AromaticContact CD1-CZ 3.95Å; W757-F759 AromaticContact NE1-CD1 3.85Å; W757-F759 AromaticContact NE1-CE1 3.84Å; F759-H793 AromaticContact CZ-CE1 3.91Å
760S83.3Confident80.8Confident92 Ų9261.3 Ų61.364%0.64332%0.315SS*.THydrogen-bonded Turntrans-85.6-16.2-177.873.60000113.8D758D758-S760 PolarHBondContact O-N 3.14Å; D758-S760 VanDerWaalsContact O-N 3.16Å; D758-S760 WeakPolarHBondContact OD1-CB 3.49Å; D758-S760 PolarHBondContact OD1-N 3.48Å; D758-S760 PolarHBondContact OD1-OG 3.14Å
761M79Confident82.2Confident53 Ų5363 Ų6326%0.26131%0.311SS..SBendtrans-71.5161.4-180-67.2-171.872.500111.9D758 R763 G764 D765 G766 N769D758-M761 HydrophobicContact CB-CG 3.93Å; D758-M761 HydrophobicContact CB-SD 4.01Å; D758-M761 PolarHBondContact O-N 2.73Å; M761-R763 PolarHBondContact O-N 3.24Å; M761-G764 PolarHBondContact O-N 3.13Å; M761-G764 VanDerWaalsContact O-N 3.11Å; M761-D765 PolarHBondContact O-N 2.87Å; M761-G766 PolarHBondContact O-N 3.21Å; M761-N769 HydrophobicContact SD-CB 3.92Å
762N75.5Confident83.1Confident83 Ų8359.3 Ų59.344%0.44430%0.3SS..G310 helixtrans53.647.8175.2-60.9-29.9000114.5G764 D765 G766N762-G764 PolarHBondContact O-N 2.91Å; N762-G764 VanDerWaalsContact O-N 3.15Å; N762-D765 HydrophobicContact CB-CB 4.16Å; N762-D765 WeakPolarHBondContact O-CB 3.42Å; N762-D765 PolarHBondContact O-N 3.45Å; N762-D765 VanDerWaalsContact O-N 3.13Å; N762-G766 PolarHBondContact ND2-O 3.11Å
763R74.3Confident83.6Confident259 Ų25958.4 Ų58.498%0.97730%0.295SS*.G310 helixtrans5825-179-56.1-178.8179.2177.80.3114.3M761M761-R763 PolarHBondContact O-N 3.24Å
764G69.3Low83.8Confident34 Ų3457 Ų5735%0.35130%0.297SS..G310 helixtrans991.4-179.500000114.7N604 M761 N762 G766N604-G764 PolarHBondContact ND2-O 3.32Å; M761-G764 PolarHBondContact O-N 3.13Å; M761-G764 VanDerWaalsContact O-N 3.11Å; N762-G764 PolarHBondContact O-N 2.91Å; N762-G764 VanDerWaalsContact O-N 3.15Å; G764-G766 VanDerWaalsContact C-N 3.3Å
765D68.4Low83.8Confident125 Ų12559.7 Ų59.767%0.66831%0.313SS*.THydrogen-bonded Turntrans-84.3-3.6175.2-64.7-25.3000113.1N604 M761 N762N604-D765 VanDerWaalsContact ND2-CA 3.34Å; N604-D765 WeakPolarHBondContact ND2-CA 3.25Å; N604-D765 PolarHBondContact ND2-O 3.25Å; M761-D765 PolarHBondContact O-N 2.87Å; N762-D765 HydrophobicContact CB-CB 4.16Å; N762-D765 WeakPolarHBondContact O-CB 3.42Å; N762-D765 PolarHBondContact O-N 3.45Å; N762-D765 VanDerWaalsContact O-N 3.13Å
766G77.6Confident83.7Confident2 Ų260.3 Ų60.32%0.02132%0.318CS..  trans79.4159.817300000113.3N604 D758 M761 N762 G764N604-G766 PolarHBondContact ND2-N 3.03Å; N604-G766 VanDerWaalsContact ND2-N 3.15Å; D758-G766 VanDerWaalsContact O-CA 3.3Å; D758-G766 WeakPolarHBondContact O-CA 3.4Å; M761-G766 PolarHBondContact O-N 3.21Å; N762-G766 PolarHBondContact ND2-O 3.11Å; G764-G766 VanDerWaalsContact C-N 3.3Å
767G84Confident83.3Confident0 Ų069.5 Ų69.50%036%0.357CS..EExtended strand (participates in β ladder)trans-174.8168.417800000113.4D758D758-G767 PolarHBondContact N-O 2.89Å; D758-G767 PolarHBondContact O-N 3.2Å; D758-G767 VanDerWaalsContact O-N 3.09Å
768W88.3Confident83.1Confident6 Ų674.8 Ų74.82%0.02338%0.383CS..EExtended strand (participates in β ladder)trans-81.2129.7-179.6-66113.4000112F707 M708 Q711 L716 V720 V755 F756 W757 L797F707-W768 HydrophobicContact CB-CH2 4.23Å; F707-W768 HydrophobicContact CB-CZ2 3.44Å; F707-W768 VanDerWaalsContact CB-CZ2 3.44Å; F707-W768 AromaticContact CD1-CH2 3.89Å; F707-W768 HydrophobicContact CD1-CH2 3.89Å; F707-W768 AromaticContact CD1-CZ2 3.93Å; F707-W768 HydrophobicContact CD1-CZ2 3.93Å; F707-W768 HydrophobicContact CG-CH2 4.1Å; F707-W768 AromaticContact CG-CZ2 3.81Å; F707-W768 HydrophobicContact CG-CZ2 3.81Å; M708-W768 PolarHBondContact O-NE1 3.39Å; Q711-W768 PolarHBondContact NE2-O 3.32Å; L716-W768 HydrophobicContact CD1-CH2 4.25Å; L716-W768 HydrophobicContact CD1-CZ2 3.8Å; L716-W768 HydrophobicContact CD2-CH2 4.45Å; L716-W768 HydrophobicContact CD2-CZ2 3.63Å; L716-W768 HydrophobicContact CG-CZ2 4.36Å; V720-W768 HydrophobicContact CG1-CH2 4.21Å; V720-W768 HydrophobicContact CG2-CH2 3.93Å; V720-W768 HydrophobicContact CG2-CZ2 4.3Å; V755-W768 HydrophobicContact CB-CB 4.2Å; V755-W768 HydrophobicContact CB-CE3 4.13Å; V755-W768 HydrophobicContact CG2-CB 4.05Å; V755-W768 HydrophobicContact CG2-CD2 3.79Å; V755-W768 HydrophobicContact CG2-CE3 3.42Å; V755-W768 VanDerWaalsContact CG2-CE3 3.42Å; V755-W768 HydrophobicContact CG2-CG 4.09Å; V755-W768 HydrophobicContact CG2-CZ3 4.14Å; F756-W768 WeakPolarHBondContact O-CA 3.5Å; W757-W768 HydrophobicContact CB-CE3 4.42Å; W757-W768 HydrophobicContact CB-CZ3 4.09Å; W757-W768 AromaticContact CE3-CD2 3.72Å; W757-W768 HydrophobicContact CE3-CD2 3.72Å; W757-W768 AromaticContact CE3-CE2 3.66Å; W757-W768 HydrophobicContact CE3-CE3 4.01Å; W757-W768 HydrophobicContact CE3-CG 4.2Å; W757-W768 HydrophobicContact CE3-CH2 4.2Å; W757-W768 AromaticContact CE3-CZ2 3.93Å; W757-W768 HydrophobicContact CE3-CZ2 3.93Å; W757-W768 HydrophobicContact CE3-CZ3 4.24Å; W757-W768 HydrophobicContact CZ3-CD2 4.14Å; W757-W768 AromaticContact CZ3-CE2 3.83Å; W757-W768 HydrophobicContact CZ3-CG 4.27Å; W757-W768 HydrophobicContact CZ3-CZ2 4.3Å; W757-W768 AromaticContact CZ3-NE1 3.75Å; W768-L797 HydrophobicContact CB-CD1 3.71Å; W768-L797 HydrophobicContact CG-CD1 3.93Å; W768-L797 HydrophobicContact CG-CD2 4.37Å; W768-L797 HydrophobicContact CG-CG 4.35Å
769N87.8Confident83Confident20 Ų2074.4 Ų74.411%0.10738%0.383CS..EExtended strand (participates in β ladder)trans-126.9144.4179.4-166-16.5000110.2V755 F756 D758 M761 R771V755-N769 CarbonylContact C-O 3.6Å; V755-N769 WeakPolarHBondContact CA-O 3.46Å; V755-N769 VanDerWaalsContact CB-O 3.32Å; V755-N769 WeakPolarHBondContact CB-O 3.42Å; F756-N769 HydrophobicContact CD1-CB 4.18Å; F756-N769 WeakPolarHBondContact CD1-O 3.35Å; F756-N769 HydrophobicContact CE1-CB 3.65Å; F756-N769 HydrophobicContact CE2-CB 4.39Å; F756-N769 HydrophobicContact CZ-CB 3.77Å; F756-N769 PolarHBondContact N-O 3.27Å; F756-N769 PolarHBondContact O-N 3.02Å; D758-N769 HydrophobicContact CB-CB 3.87Å; D758-N769 PolarHBondContact OD2-ND2 3.02Å; M761-N769 HydrophobicContact SD-CB 3.92Å; N769-R771 WeakPolarHBondContact OD1-CG 3.44Å; N769-R771 PolarHBondContact OD1-N 3.32Å
770N88.8Confident83Confident87 Ų8774.7 Ų74.747%0.46539%0.389SS..  trans-106.92.4-177.168.9-19000113.8V755 G772 C773V755-N770 HydrophobicContact CG1-CB 4.09Å; N770-G772 PolarHBondContact O-N 3.4Å; N770-C773 PolarHBondContact O-N 3.11Å
771R88.3Confident82.6Confident189 Ų18973.1 Ų73.171%0.71338%0.378SS*.THydrogen-bonded Turntrans-65134.4-178.6-70-179.9-170.5-171.82.8111.3F756 N769 C773 H790F756-R771 HydrophobicContact CE1-CB 4.36Å; F756-R771 VanDerWaalsContact CE1-O 3.22Å; F756-R771 WeakPolarHBondContact CE1-O 3.35Å; N769-R771 WeakPolarHBondContact OD1-CG 3.44Å; N769-R771 PolarHBondContact OD1-N 3.32Å; R771-C773 PolarHBondContact O-N 2.79Å; R771-H790 PolarHBondContact O-NE2 2.9Å
772G85.7Confident82.8Confident37 Ų3772.5 Ų72.538%0.38138%0.379SS..THydrogen-bonded Turntrans76.70.8177.300000115.3N770 C788 N789N770-G772 PolarHBondContact O-N 3.4Å; G772-C788 CarbonylContact O-C 3.56Å; G772-C788 VanDerWaalsContact O-CA 3.26Å; G772-C788 WeakPolarHBondContact O-CA 3.34Å; G772-N789 WeakPolarHBondContact CA-OD1 3.44Å; G772-N789 PolarHBondContact O-N 3.44Å; G772-N789 PolarHBondContact O-OD1 3.17Å
773C90.8Very high83.3Confident19 Ų1972.4 Ų72.413%0.12837%0.372CS..EExtended strand (participates in β ladder)trans-119.9137.1179.2-72.90000111.7C754 N770 R771 L787 C788C754-C773 HydrophobicContact CB-CB 4.02Å; N770-C773 PolarHBondContact O-N 3.11Å; R771-C773 PolarHBondContact O-N 2.79Å; C773-L787 CarbonylContact C-O 3.53Å; C773-L787 WeakPolarHBondContact CA-O 3.45Å; C773-C788 HydrophobicContact CB-CB 4.23Å; C773-C788 WeakPolarHBondContact CB-SG 3.45Å; C773-C788 WeakPolarHBondContact SG-CB 3.36Å; C773-C788 CovalentContact SG-SG 2.05Å; C773-C788 PolarHBondContact SG-SG 3.39Å
774S90.4Very high84Confident65 Ų6560.2 Ų60.246%0.45533%0.326SS..EExtended strand (participates in β ladder)trans-137.5153.9178.663.30000111.7C786 L787S774-C786 WeakPolarHBondContact O-CA 3.43Å; S774-L787 PolarHBondContact N-O 2.77Å; S774-L787 PolarHBondContact O-N 2.85Å; S774-L787 PolarHBondContact OG-O 3.27Å
775V90.1Very high85Confident61 Ų6159 Ų5937%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-86.5130179-179.50000109.7C754 T784C754-V775 HydrophobicContact CB-CG2 4.37Å; C754-V775 WeakPolarHBondContact SG-CG2 3.5Å; V775-T784 HydrophobicContact CG1-CG2 4Å; V775-T784 HydrophobicContact CG2-CG2 4.49Å
776S88.5Confident86.1Confident19 Ų1953.2 Ų53.213%0.13328%0.281CS..  trans-76147.3174.6179.90000111.8E778 S779 I785S776-E778 PolarHBondContact O-N 3.44Å; S776-E778 PolarHBondContact OG-N 2.72Å; S776-S779 WeakPolarHBondContact O-CB 3.28Å; S776-S779 PolarHBondContact O-N 3.37Å; S776-S779 PolarHBondContact O-OG 3.44Å; S776-I785 WeakPolarHBondContact CB-O 3.49Å; S776-I785 PolarHBondContact N-O 2.88Å
777K82.6Confident86.9Confident215 Ų21555.4 Ų55.494%0.93529%0.292SS*.THydrogen-bonded Turntrans-67.4-13.7175-63.2-177.8-179178.50113.6S779K777-S779 PolarHBondContact O-N 3.19Å
778E83.6Confident87.2Confident120 Ų12055.5 Ų55.556%0.56129%0.292SS*.THydrogen-bonded Turntrans-80.2-1.8176.6-65173.9-176.400113.3K738 S776 I785K738-E778 IonicContact NZ-OE2 3.66Å; K738-E778 PolarHBondContact NZ-OE2 3.32Å; S776-E778 PolarHBondContact O-N 3.44Å; S776-E778 PolarHBondContact OG-N 2.72Å; E778-I785 HydrophobicContact CB-CD1 3.8Å
779S83.8Confident87.3Confident24 Ų2457.4 Ų57.417%0.16830%0.303CS..  trans-68.1144.2-179.3-55.80000111.9S776 K777 I785S776-S779 WeakPolarHBondContact O-CB 3.28Å; S776-S779 PolarHBondContact O-N 3.37Å; S776-S779 PolarHBondContact O-OG 3.44Å; K777-S779 PolarHBondContact O-N 3.19Å; S779-I785 PolarHBondContact OG-N 2.66Å
780T82.4Confident87.3Confident59 Ų5957.1 Ų57.136%0.36230%0.301SS..  trans-114.4-177.217979.30000111.8S782 R783T780-S782 VanDerWaalsContact C-N 3.25Å; T780-S782 PolarHBondContact O-N 3.12Å; T780-S782 PolarHBondContact OG1-N 2.73Å; T780-S782 PolarHBondContact OG1-OG 3.11Å; T780-R783 CarbonylContact C-O 3.57Å; T780-R783 HydrophobicContact CG2-CG 4.37Å; T780-R783 PolarHBondContact N-O 2.85Å; T780-R783 WeakPolarHBondContact OG1-CG 3.19Å; T780-R783 PolarHBondContact OG1-N 2.87Å
781S75.9Confident87Confident59 Ų5953.8 Ų53.841%0.41328%0.283SS..SBendtrans-64.9-25.9175.652.50000114.1H743 Q747H743-S781 PolarHBondContact ND1-O 3.13Å; Q747-S781 PolarHBondContact N-O 3.21Å; Q747-S781 VanDerWaalsContact N-O 3.1Å; Q747-S781 WeakPolarHBondContact O-CA 3.31Å; Q747-S781 WeakPolarHBondContact O-CB 3.49Å
782S82Confident86.7Confident40 Ų4046.5 Ų46.528%0.2826%0.26SS..SBendtrans-106.4-11.9-175.458.60000113.7H743 D746 T780H743-S782 PolarHBondContact N-O 3.02Å; D746-S782 WeakPolarHBondContact OD1-CA 3.49Å; D746-S782 WeakPolarHBondContact OD1-CB 3.18Å; T780-S782 VanDerWaalsContact C-N 3.25Å; T780-S782 PolarHBondContact O-N 3.12Å; T780-S782 PolarHBondContact OG1-N 2.73Å; T780-S782 PolarHBondContact OG1-OG 3.11Å
783R86.1Confident86.3Confident81 Ų8145.1 Ų45.131%0.30624%0.243SC..EExtended strand (participates in β ladder)trans-148.2145.2179.469.1-174.476.6-178.8-0112E740 I741 T780E740-R783 WeakPolarHBondContact OE1-CD 3.44Å; E740-R783 IonicContact OE1-CZ 2.79Å; E740-R783 IonicContact OE1-NE 2.8Å; E740-R783 IonicContact OE1-NH1 3.31Å; E740-R783 PolarHBondContact OE1-NH1 3.03Å; I741-R783 WeakPolarHBondContact O-CA 3.07Å; T780-R783 CarbonylContact C-O 3.57Å; T780-R783 HydrophobicContact CG2-CG 4.37Å; T780-R783 PolarHBondContact N-O 2.85Å; T780-R783 WeakPolarHBondContact OG1-CG 3.19Å; T780-R783 PolarHBondContact OG1-N 2.87Å
784T89.4Confident85.9Confident2 Ų244.4 Ų44.41%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-116137.2173.1-67.30000110.4E740 I741 H743 V752 V775 I796E740-T784 WeakPolarHBondContact CA-O 3.38Å; I741-T784 PolarHBondContact N-O 3.45Å; I741-T784 PolarHBondContact O-N 2.99Å; H743-T784 PolarHBondContact CE1-OG1 3Å; H743-T784 PolarHBondContact NE2-N 2.8Å; H743-T784 PolarHBondContact NE2-OG1 2.93Å; V752-T784 HydrophobicContact CG1-CG2 3.88Å; V775-T784 HydrophobicContact CG1-CG2 4Å; V775-T784 HydrophobicContact CG2-CG2 4.49Å; T784-I796 HydrophobicContact CG2-CD1 4.24Å; T784-I796 HydrophobicContact CG2-CG1 4.43Å
785I91.6Very high85.1Confident9 Ų941.3 Ų41.35%0.04622%0.217CC..EExtended strand (participates in β ladder)trans-106.1115.8174.8-63.4171.1000108.1K738 I739 E740 S776 E778 S779K738-I785 HydrophobicContact CD-CG2 4.32Å; K738-I785 HydrophobicContact CG-CG2 3.83Å; I739-I785 CarbonylContact O-C 3.52Å; I739-I785 WeakPolarHBondContact O-CA 3.35Å; E740-I785 HydrophobicContact CB-CG1 4.13Å; E740-I785 HydrophobicContact CG-CG1 4.02Å; S776-I785 WeakPolarHBondContact CB-O 3.49Å; S776-I785 PolarHBondContact N-O 2.88Å; E778-I785 HydrophobicContact CB-CD1 3.8Å; S779-I785 PolarHBondContact OG-N 2.66Å
786C91.5Very high84.5Confident3 Ų338.4 Ų38.42%0.0220%0.199CC..EExtended strand (participates in β ladder)trans-99.5137.7176.9-62.50000111I739 C754 S774I739-C786 HydrophobicContact CB-CB 4.19Å; I739-C786 PolarHBondContact N-O 3.49Å; I739-C786 PolarHBondContact O-N 3.48Å; C754-C786 HydrophobicContact CB-CB 3.66Å; C754-C786 WeakPolarHBondContact CB-SG 3.46Å; C754-C786 WeakPolarHBondContact SG-CA 3.24Å; C754-C786 WeakPolarHBondContact SG-CB 3.49Å; C754-C786 CovalentContact SG-SG 2.02Å; C754-C786 PolarHBondContact SG-SG 3.24Å; S774-C786 WeakPolarHBondContact O-CA 3.43Å
787L92.8Very high83.6Confident49 Ų4937.8 Ų37.826%0.25719%0.194SC..EExtended strand (participates in β ladder)trans-113.3109.3173.8-59.2176.1000107.7P736 K738 C773 S774P736-L787 HydrophobicContact CB-CB 4.01Å; P736-L787 HydrophobicContact CG-CB 4.19Å; P736-L787 HydrophobicContact CG-CD2 4.3Å; K738-L787 HydrophobicContact CB-CD2 4.26Å; K738-L787 HydrophobicContact CG-CD2 4.23Å; C773-L787 CarbonylContact C-O 3.53Å; C773-L787 WeakPolarHBondContact CA-O 3.45Å; S774-L787 PolarHBondContact N-O 2.77Å; S774-L787 PolarHBondContact O-N 2.85Å; S774-L787 PolarHBondContact OG-O 3.27Å
788C91.3Very high82.8Confident1 Ų128.1 Ų28.11%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-120.3141.7-176.7-63.70000111.6P736 V737 I739 G772 C773 F794P736-C788 CarbonylContact C-O 3.58Å; P736-C788 WeakPolarHBondContact CA-O 3.47Å; V737-C788 PolarHBondContact N-O 2.72Å; V737-C788 PolarHBondContact O-N 3.48Å; V737-C788 VanDerWaalsContact O-N 3.1Å; I739-C788 HydrophobicContact CD1-CB 4.42Å; G772-C788 CarbonylContact O-C 3.56Å; G772-C788 VanDerWaalsContact O-CA 3.26Å; G772-C788 WeakPolarHBondContact O-CA 3.34Å; C773-C788 HydrophobicContact CB-CB 4.23Å; C773-C788 WeakPolarHBondContact CB-SG 3.45Å; C773-C788 WeakPolarHBondContact SG-CB 3.36Å; C773-C788 CovalentContact SG-SG 2.05Å; C773-C788 PolarHBondContact SG-SG 3.39Å; C788-F794 HydrophobicContact CB-CD1 4.39Å; C788-F794 HydrophobicContact CB-CE1 3.64Å; C788-F794 HydrophobicContact CB-CZ 4.23Å; C788-F794 VanDerWaalsContact SG-CE1 3.52Å
789N90.3Very high81.4Confident46 Ų4625.3 Ų25.325%0.24614%0.142CC..SBendtrans-95.914.5-178.975.6-22.9000114.3T731 D732 L733 G772T731-N789 CarbonylContact C-O 3.51Å; D732-N789 PolarHBondContact N-O 3.15Å; L733-N789 PolarHBondContact N-O 2.65Å; G772-N789 WeakPolarHBondContact CA-OD1 3.44Å; G772-N789 PolarHBondContact O-N 3.44Å; G772-N789 PolarHBondContact O-OD1 3.17Å
790H87.7Confident79.7Confident14 Ų1427.4 Ų27.47%0.06515%0.15CC..SBendtrans-143.7172179.65773.2000110.1I730 T731 F756 R771 T792 F794I730-H790 VanDerWaalsContact O-CA 3.28Å; I730-H790 WeakPolarHBondContact O-CA 3.4Å; I730-H790 WeakPolarHBondContact O-CB 3.41Å; T731-H790 HydrophobicContact CG2-CB 4.2Å; F756-H790 AromaticContact CD1-CE1 3.41Å; F756-H790 VanDerWaalsContact CD1-CE1 3.41Å; F756-H790 WeakPolarHBondContact CD1-CE1 3.5Å; F756-H790 AromaticContact CD1-NE2 3.54Å; F756-H790 AromaticContact CD2-CE1 3.9Å; F756-H790 AromaticContact CE1-CE1 3.87Å; F756-H790 AromaticContact CE1-NE2 3.64Å; F756-H790 AromaticContact CG-CE1 3.43Å; F756-H790 VanDerWaalsContact CG-CE1 3.43Å; F756-H790 WeakPolarHBondContact CG-CE1 3.4Å; R771-H790 PolarHBondContact O-NE2 2.9Å; H790-T792 PolarHBondContact CE1-OG1 3.05Å; H790-T792 VanDerWaalsContact CE1-OG1 3.26Å; H790-T792 PolarHBondContact ND1-OG1 3.22Å; H790-T792 VanDerWaalsContact ND1-OG1 3.11Å; H790-F794 AromaticContact CE1-CE1 3.72Å; H790-F794 AromaticContact ND1-CE1 3.81Å; H790-F794 AromaticContact ND1-CZ 3.98Å; H790-F794 VanDerWaalsContact O-CZ 3.32Å; H790-F794 WeakPolarHBondContact O-CZ 3.48Å
791L81.7Confident77.7Confident17 Ų1726.4 Ų26.49%0.08915%0.146CC..  trans-116.1116.6174.8-75.1179.1000110.6L675 L679 S723 V725 I730 V737L675-L791 HydrophobicContact CD2-CD2 3.69Å; L679-L791 HydrophobicContact CD1-CD1 3.99Å; S723-L791 WeakPolarHBondContact O-CB 3.32Å; V725-L791 HydrophobicContact CG2-CD1 3.64Å; I730-L791 HydrophobicContact CB-CD1 4.43Å; I730-L791 HydrophobicContact CD1-CD1 4.15Å; I730-L791 PolarHBondContact O-N 2.77Å; V737-L791 HydrophobicContact CG1-CD2 4.3Å; V737-L791 HydrophobicContact CG2-CD2 3.84Å; V737-L791 HydrophobicContact CG2-CG 4.45Å
792T82.5Confident75.8Confident36 Ų3629 Ų2922%0.22115%0.151CC..SBendtrans-152.8-160.3-177.852.90000110.3A722 S723 F756 H790 F794A722-T792 WeakPolarHBondContact CA-O 3.14Å; S723-T792 PolarHBondContact N-O 3.25Å; F756-T792 WeakPolarHBondContact CB-OG1 3.34Å; F756-T792 HydrophobicContact CD2-CG2 3.89Å; F756-T792 WeakPolarHBondContact CD2-OG1 3.41Å; F756-T792 HydrophobicContact CE2-CG2 4.31Å; H790-T792 PolarHBondContact CE1-OG1 3.05Å; H790-T792 VanDerWaalsContact CE1-OG1 3.26Å; H790-T792 PolarHBondContact ND1-OG1 3.22Å; H790-T792 VanDerWaalsContact ND1-OG1 3.11Å; T792-F794 VanDerWaalsContact N-CZ 3.33Å; T792-F794 WeakPolarHBondContact O-CD2 3.27Å; T792-F794 WeakPolarHBondContact O-CE2 3.16Å; T792-F794 WeakPolarHBondContact OG1-CE1 3.48Å; T792-F794 WeakPolarHBondContact OG1-CZ 3.37Å
793H77.9Confident73.5Confident8 Ų834.7 Ų34.74%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-92.7120.6170.6-61.161.1000109D611 V721 A722 F756 W757 F759D611-H793 IonicContact OD1-CE1 3.39Å; D611-H793 IonicContact OD1-NE2 3.4Å; D611-H793 IonicContact OD2-CE1 3.71Å; D611-H793 PolarHBondContact OD2-CE1 3.19Å; D611-H793 VanDerWaalsContact OD2-CE1 3.31Å; V721-H793 CarbonylContact O-C 3.59Å; A722-H793 HydrophobicContact CB-CB 4.06Å; A722-H793 VanDerWaalsContact CB-CD2 3.46Å; A722-H793 WeakPolarHBondContact CB-CD2 3.32Å; F756-H793 CarbonylContact C-O 3.58Å; F756-H793 WeakPolarHBondContact CA-O 2.95Å; F756-H793 WeakPolarHBondContact CB-O 3.19Å; W757-H793 HydrophobicContact CB-CB 3.84Å; W757-H793 PolarHBondContact N-O 3.44Å; F759-H793 AromaticContact CZ-CE1 3.91Å
794F81.3Confident71.1Confident4 Ų433 Ų332%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-110.2140.8-171.5-56.8-82.7000112.6V720 V721 I739 V755 F756 C788 H790 T792V720-F794 WeakPolarHBondContact CA-O 3.22Å; V720-F794 WeakPolarHBondContact CG1-O 3.43Å; V721-F794 HydrophobicContact CG2-CB 4.31Å; V721-F794 PolarHBondContact N-O 2.8Å; V721-F794 VanDerWaalsContact N-O 3.11Å; V721-F794 PolarHBondContact O-N 3.37Å; I739-F794 HydrophobicContact CD1-CB 3.99Å; I739-F794 HydrophobicContact CD1-CD1 3.55Å; I739-F794 HydrophobicContact CD1-CD2 3.32Å; I739-F794 HydrophobicContact CD1-CE1 3.74Å; I739-F794 HydrophobicContact CD1-CE2 3.51Å; I739-F794 HydrophobicContact CD1-CG 3.32Å; I739-F794 HydrophobicContact CD1-CZ 3.71Å; V755-F794 WeakPolarHBondContact O-CA 3.13Å; F756-F794 HydrophobicContact CB-CD1 3.94Å; F756-F794 HydrophobicContact CB-CE1 4.2Å; C788-F794 HydrophobicContact CB-CD1 4.39Å; C788-F794 HydrophobicContact CB-CE1 3.64Å; C788-F794 HydrophobicContact CB-CZ 4.23Å; C788-F794 VanDerWaalsContact SG-CE1 3.52Å; H790-F794 AromaticContact CE1-CE1 3.72Å; H790-F794 AromaticContact ND1-CE1 3.81Å; H790-F794 AromaticContact ND1-CZ 3.98Å; H790-F794 VanDerWaalsContact O-CZ 3.32Å; H790-F794 WeakPolarHBondContact O-CZ 3.48Å; T792-F794 VanDerWaalsContact N-CZ 3.33Å; T792-F794 WeakPolarHBondContact O-CD2 3.27Å; T792-F794 WeakPolarHBondContact O-CE2 3.16Å; T792-F794 WeakPolarHBondContact OG1-CE1 3.48Å; T792-F794 WeakPolarHBondContact OG1-CZ 3.37Å
795G73.8Confident68.9Low1 Ų138.1 Ų38.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-145.6167.5175.400000111.9V755V755-G795 WeakPolarHBondContact CG2-O 3.12Å; V755-G795 PolarHBondContact N-O 2.97Å; V755-G795 PolarHBondContact O-N 3.29Å
796I78.1Confident66.7Low0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-116.9116.2178.2-59.9157.2000109.5L716 N717 S718 I741 V752 T784 M798L716-I796 WeakPolarHBondContact CD1-O 3.49Å; N717-I796 PolarHBondContact N-O 2.86Å; S718-I796 PolarHBondContact OG-N 3.33Å; I741-I796 HydrophobicContact CB-CD1 3.67Å; I741-I796 HydrophobicContact CD1-CD1 4.1Å; I741-I796 HydrophobicContact CD1-CG1 4.27Å; I741-I796 HydrophobicContact CG1-CD1 4.35Å; I741-I796 HydrophobicContact CG2-CD1 4.28Å; V752-I796 HydrophobicContact CG1-CG2 3.23Å; T784-I796 HydrophobicContact CG2-CD1 4.24Å; T784-I796 HydrophobicContact CG2-CG1 4.43Å; I796-M798 HydrophobicContact CG2-CG 4.41Å
797L68.9Low64.9Low5 Ų544 Ų443%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-91.9140.3172.5-69.7-179.6000111.2Q711 L714 S715 L716 K753 V755 W768Q711-L797 HydrophobicContact CB-CD1 4.43Å; L714-L797 HydrophobicContact CB-CB 3.95Å; L714-L797 HydrophobicContact CB-CD1 4.42Å; L714-L797 HydrophobicContact CD1-CB 4.25Å; L714-L797 HydrophobicContact CD1-CD1 4.48Å; S715-L797 VanDerWaalsContact C-CD2 3.45Å; S715-L797 CarbonylContact O-C 3.58Å; S715-L797 WeakPolarHBondContact O-CA 3.27Å; S715-L797 WeakPolarHBondContact O-CD2 3.26Å; L716-L797 HydrophobicContact CB-CD2 3.98Å; L716-L797 HydrophobicContact CD1-CD2 4.25Å; K753-L797 PolarHBondContact N-O 3.29Å; K753-L797 PolarHBondContact O-N 3.47Å; V755-L797 HydrophobicContact CG1-CD1 4Å; V755-L797 HydrophobicContact CG1-CG 4.31Å; V755-L797 HydrophobicContact CG2-CB 4.39Å; V755-L797 HydrophobicContact CG2-CD1 4Å; V755-L797 HydrophobicContact CG2-CG 3.67Å; W768-L797 HydrophobicContact CB-CD1 3.71Å; W768-L797 HydrophobicContact CG-CD1 3.93Å; W768-L797 HydrophobicContact CG-CD2 4.37Å; W768-L797 HydrophobicContact CG-CG 4.35Å
798M66.1Low63.2Low12 Ų1245.6 Ų45.66%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-134.7161.2176.7-53.7-167.1-28.100110L714 S715 N717 Q747 I796L714-M798 CarbonylContact C-O 3.59Å; L714-M798 WeakPolarHBondContact CA-O 3.45Å; L714-M798 VanDerWaalsContact CB-O 3.24Å; L714-M798 WeakPolarHBondContact CB-O 3.44Å; S715-M798 PolarHBondContact N-O 3.14Å; S715-M798 PolarHBondContact O-N 3.49Å; S715-M798 PolarHBondContact OG-O 3.49Å; N717-M798 HydrophobicContact CB-CB 4.43Å; N717-M798 HydrophobicContact CB-CE 3.24Å; N717-M798 HydrophobicContact CB-CG 3.9Å; N717-M798 HydrophobicContact CB-SD 3.58Å; N717-M798 VanDerWaalsContact CB-SD 3.58Å; N717-M798 WeakPolarHBondContact ND2-CE 3.39Å; N717-M798 PolarHBondContact ND2-SD 2.75Å; Q747-M798 HydrophobicContact CG-CE 3.58Å; Q747-M798 HydrophobicContact CG-SD 4.01Å; I796-M798 HydrophobicContact CG2-CG 4.41Å
799D55.1Low61.8Low62 Ų6248.8 Ų48.833%0.33227%0.267SS..EExtended strand (participates in β ladder)trans-76.2129.1-178.6-159.3-39.2000113.1L714 S801L714-D799 HydrophobicContact CD2-CB 3.89Å; D799-S801 VanDerWaalsContact CG-OG 3.31Å; D799-S801 WeakPolarHBondContact OD1-CB 3.46Å; D799-S801 PolarHBondContact OD1-N 3.06Å; D799-S801 PolarHBondContact OD1-OG 2.92Å
800I47.6Very low60.8Low68 Ų6851.7 Ų51.735%0.34928%0.279SS..  trans-104.742.4171-42.5170.5000111E710 G713 S715 Q802E710-I800 VanDerWaalsContact CD-CD1 3.49Å; E710-I800 HydrophobicContact CG-CD1 3.34Å; E710-I800 WeakPolarHBondContact OE1-CD1 3.49Å; G713-I800 PolarHBondContact O-N 3.27Å; S715-I800 VanDerWaalsContact CA-CD1 3.48Å; S715-I800 VanDerWaalsContact CA-CG1 3.49Å; S715-I800 VanDerWaalsContact N-CG1 3.33Å; S715-I800 WeakPolarHBondContact OG-CG1 3.49Å; I800-Q802 PolarHBondContact O-N 3.21Å
801S40.1Very low60Low38 Ų3853.3 Ų53.327%0.26629%0.288SS..  trans-71.562.6162.238.70000111.6D799D799-S801 VanDerWaalsContact CG-OG 3.31Å; D799-S801 WeakPolarHBondContact OD1-CB 3.46Å; D799-S801 PolarHBondContact OD1-N 3.06Å; D799-S801 PolarHBondContact OD1-OG 2.92Å
802Q36.9Very low59.4Low113 Ų11355.6 Ų55.653%0.52830%0.297SS..  trans68.3147.4154.6-60.7-179.910.400118.4I800 S804I800-Q802 PolarHBondContact O-N 3.21Å; Q802-S804 CarbonylContact O-C 3.58Å; Q802-S804 PolarHBondContact O-N 3.43Å; Q802-S804 PolarHBondContact O-OG 3.02Å
803T33Very low59.1Low159 Ų15958.8 Ų58.898%0.97531%0.308SS*.SBendtrans-53.220.715744.10000115.1
804S34.5Very low59.3Low45 Ų4561.4 Ų61.432%0.31532%0.324SS..SBendtrans-78.2121.8149.949.40000106.3Q802 I806Q802-S804 CarbonylContact O-C 3.58Å; Q802-S804 PolarHBondContact O-N 3.43Å; Q802-S804 PolarHBondContact O-OG 3.02Å; S804-I806 VanDerWaalsContact C-N 3.27Å; S804-I806 PolarHBondContact O-N 3.32Å
805F44.1Very low59.1Low110 Ų11062.4 Ų62.448%0.48233%0.33SS..  trans-44102.2156.7-176.9-89.7000106.8I807 Y1042 L1043F805-I807 PolarHBondContact O-N 3.41Å; F805-Y1042 HydrophobicContact CB-CD1 3.79Å; F805-Y1042 HydrophobicContact CB-CE1 4.49Å; F805-Y1042 HydrophobicContact CB-CG 4.13Å; F805-Y1042 HydrophobicContact CD1-CD1 4.13Å; F805-Y1042 HydrophobicContact CG-CD1 4.34Å; F805-L1043 HydrophobicContact CD1-CB 4.33Å; F805-L1043 HydrophobicContact CE1-CB 3.91Å; F805-L1043 HydrophobicContact CE1-CD2 4.4Å
806I45.5Very low59.5Low106 Ų10664.9 Ų64.954%0.54435%0.345SS..  trans-62.3107.2-168.5-67.5175.5000105S804 D808S804-I806 VanDerWaalsContact C-N 3.27Å; S804-I806 PolarHBondContact O-N 3.32Å; I806-D808 PolarHBondContact O-N 2.88Å
807I54.2Low59.8Low30 Ų3071.5 Ų71.515%0.15437%0.374CS..  trans-60.4110.5167.9-62.5-177.5000103.9F805 N811 K812 L815 Y1042 L1043 T1046F805-I807 PolarHBondContact O-N 3.41Å; I807-N811 VanDerWaalsContact CG2-C 3.48Å; I807-N811 HydrophobicContact CG2-CB 3.22Å; I807-K812 HydrophobicContact CG2-CB 4.28Å; I807-L815 HydrophobicContact CD1-CD2 4.2Å; I807-Y1042 HydrophobicContact CD1-CE1 3.88Å; I807-Y1042 HydrophobicContact CG1-CE1 3.89Å; I807-L1043 HydrophobicContact CG1-CD1 4.04Å; I807-L1043 HydrophobicContact CG2-CD1 4.17Å; I807-T1046 HydrophobicContact CD1-CG2 3.98Å
808D55.6Low60.7Low83 Ų8374.3 Ų74.344%0.44439%0.388SS..  trans-34.8133.5173-174.4-20.6000109.6I806 E810 N811 K812I806-D808 PolarHBondContact O-N 2.88Å; D808-E810 CarbonylContact O-C 3.1Å; D808-E810 PolarHBondContact O-N 3.19Å; D808-E810 PolarHBondContact OD1-N 2.75Å; D808-N811 HydrophobicContact CB-CB 4.28Å; D808-N811 WeakPolarHBondContact CB-ND2 3.26Å; D808-N811 CarbonylContact O-C 3.48Å; D808-N811 WeakPolarHBondContact O-CA 3.41Å; D808-N811 WeakPolarHBondContact O-CB 3.27Å; D808-N811 PolarHBondContact O-N 3.47Å; D808-K812 PolarHBondContact O-N 3.08Å
809P61.8Low61.7Low68 Ų6874.7 Ų74.744%0.44239%0.392SS..Hα-helixtrans-46.1-30.4177.214.3-30.4000113.8K813P809-K813 VanDerWaalsContact O-CG 3.31Å; P809-K813 WeakPolarHBondContact O-CG 3.39Å; P809-K813 PolarHBondContact O-N 3.2Å
810E69.3Low63.3Low106 Ų10676.1 Ų76.150%0.49539%0.394SS..Hα-helixtrans-64.2-50.6170.1-72.1-60.5118.500112.8D808 K812 K813 V814D808-E810 CarbonylContact O-C 3.1Å; D808-E810 PolarHBondContact O-N 3.19Å; D808-E810 PolarHBondContact OD1-N 2.75Å; E810-K812 VanDerWaalsContact C-N 3.27Å; E810-K812 PolarHBondContact O-N 3.26Å; E810-K813 PolarHBondContact O-N 3.31Å; E810-K813 IonicContact OE1-NZ 3.53Å; E810-K813 PolarHBondContact OE1-NZ 2.87Å; E810-V814 VanDerWaalsContact O-CG2 3.32Å; E810-V814 WeakPolarHBondContact O-CG2 3.34Å; E810-V814 PolarHBondContact O-N 3.32Å
811N72.3Confident65.4Low49 Ų4977.9 Ų77.926%0.26240%0.403SS..Hα-helixtrans-63.2-33.1176.6-69.8-43.3000112I807 D808 V814 L815 L1043 Y1047I807-N811 VanDerWaalsContact CG2-C 3.48Å; I807-N811 HydrophobicContact CG2-CB 3.22Å; D808-N811 HydrophobicContact CB-CB 4.28Å; D808-N811 WeakPolarHBondContact CB-ND2 3.26Å; D808-N811 CarbonylContact O-C 3.48Å; D808-N811 WeakPolarHBondContact O-CA 3.41Å; D808-N811 WeakPolarHBondContact O-CB 3.27Å; D808-N811 PolarHBondContact O-N 3.47Å; N811-V814 PolarHBondContact O-N 3.4Å; N811-L815 WeakPolarHBondContact O-CB 3.42Å; N811-L815 PolarHBondContact O-N 3.12Å; N811-L1043 HydrophobicContact CB-CD1 4.48Å; N811-Y1047 WeakPolarHBondContact CA-OH 3.37Å; N811-Y1047 VanDerWaalsContact CB-OH 3.3Å; N811-Y1047 WeakPolarHBondContact CB-OH 3.49Å; N811-Y1047 PolarHBondContact O-OH 3.29Å; N811-Y1047 PolarHBondContact OD1-OH 3.07Å
812K67.8Low67.9Low65 Ų6576.2 Ų76.228%0.28339%0.392SS..Hα-helixtrans-65.7-46.1175.6-174.5-178.7176.1-170.50111I807 D808 E810 V814 L815 T816 D957I807-K812 HydrophobicContact CG2-CB 4.28Å; D808-K812 PolarHBondContact O-N 3.08Å; E810-K812 VanDerWaalsContact C-N 3.27Å; E810-K812 PolarHBondContact O-N 3.26Å; K812-V814 PolarHBondContact O-N 3.16Å; K812-L815 PolarHBondContact O-N 3.11Å; K812-T816 PolarHBondContact O-N 3.28Å; K812-T816 PolarHBondContact O-OG1 2.95Å; K812-D957 IonicContact NZ-OD2 2.73Å; K812-D957 PolarHBondContact NZ-OD2 3.16Å
813K76.1Confident70.5Confident102 Ų10271.3 Ų71.344%0.44337%0.369SS..Hα-helixtrans-58.5-47.8173.1-70169.5-163.6164.30111.1P809 E810 L815 T816 F817P809-K813 VanDerWaalsContact O-CG 3.31Å; P809-K813 WeakPolarHBondContact O-CG 3.39Å; P809-K813 PolarHBondContact O-N 3.2Å; E810-K813 PolarHBondContact O-N 3.31Å; E810-K813 IonicContact OE1-NZ 3.53Å; E810-K813 PolarHBondContact OE1-NZ 2.87Å; K813-L815 VanDerWaalsContact C-N 3.34Å; K813-L815 PolarHBondContact O-N 3.18Å; K813-T816 PolarHBondContact O-N 3Å; K813-F817 HydrophobicContact CB-CE2 4.48Å; K813-F817 WeakPolarHBondContact O-CD2 3.4Å; K813-F817 PolarHBondContact O-N 3.05Å
814V82.1Confident73.4Confident63 Ų6364.7 Ų64.738%0.38233%0.333SS..Hα-helixtrans-59.9-44.2179.3174.60000111.2E810 N811 K812 T816 F817 L818 Y1047E810-V814 VanDerWaalsContact O-CG2 3.32Å; E810-V814 WeakPolarHBondContact O-CG2 3.34Å; E810-V814 PolarHBondContact O-N 3.32Å; N811-V814 PolarHBondContact O-N 3.4Å; K812-V814 PolarHBondContact O-N 3.16Å; V814-T816 VanDerWaalsContact C-N 3.35Å; V814-T816 PolarHBondContact O-N 2.82Å; V814-F817 PolarHBondContact O-N 3.05Å; V814-L818 HydrophobicContact CG1-CD1 4.01Å; V814-L818 HydrophobicContact CG1-CG 4.35Å; V814-L818 WeakPolarHBondContact O-CG 3.49Å; V814-L818 PolarHBondContact O-N 3.44Å; V814-Y1047 HydrophobicContact CG1-CE1 4.02Å
815L78.8Confident76.3Confident26 Ų2665.9 Ų65.914%0.13634%0.335CS..Hα-helixtrans-65.6-38.4-180-160.170.3000112.1I807 N811 K812 K813 L818 S819 T1046 Y1047 T1050I807-L815 HydrophobicContact CD1-CD2 4.2Å; N811-L815 WeakPolarHBondContact O-CB 3.42Å; N811-L815 PolarHBondContact O-N 3.12Å; K812-L815 PolarHBondContact O-N 3.11Å; K813-L815 VanDerWaalsContact C-N 3.34Å; K813-L815 PolarHBondContact O-N 3.18Å; L815-L818 PolarHBondContact O-N 2.68Å; L815-S819 WeakPolarHBondContact O-CB 3.39Å; L815-S819 PolarHBondContact O-N 3.27Å; L815-S819 PolarHBondContact O-OG 2.86Å; L815-T1046 HydrophobicContact CD1-CG2 4.38Å; L815-T1046 HydrophobicContact CD2-CG2 3.56Å; L815-Y1047 HydrophobicContact CD1-CD1 3.95Å; L815-Y1047 HydrophobicContact CD1-CE1 4.1Å; L815-Y1047 HydrophobicContact CD1-CG 4.44Å; L815-T1050 VanDerWaalsContact CD1-CB 3.48Å; L815-T1050 HydrophobicContact CD1-CG2 3.64Å; L815-T1050 WeakPolarHBondContact CD1-OG1 3.5Å; L815-T1050 HydrophobicContact CG-CG2 4.01Å
816T81.1Confident78.7Confident52 Ų5260.6 Ų60.632%0.31931%0.312SS..Hα-helixtrans-61.7-48.1172.5-58.10000110.8K812 K813 V814 L818 S819 Y820K812-T816 PolarHBondContact O-N 3.28Å; K812-T816 PolarHBondContact O-OG1 2.95Å; K813-T816 PolarHBondContact O-N 3Å; V814-T816 VanDerWaalsContact C-N 3.35Å; V814-T816 PolarHBondContact O-N 2.82Å; T816-L818 PolarHBondContact O-N 2.93Å; T816-S819 PolarHBondContact O-N 2.99Å; T816-Y820 HydrophobicContact CG2-CD2 3.77Å; T816-Y820 HydrophobicContact CG2-CE2 3.77Å; T816-Y820 WeakPolarHBondContact O-CD2 3.38Å; T816-Y820 PolarHBondContact O-N 3.32Å
817F85.3Confident81.1Confident140 Ų14056.1 Ų56.161%0.61429%0.29SS*.Hα-helixtrans-59.1-45.2176.1-77.6-63.8000112.8K813 V814 S819 Y820 I821K813-F817 HydrophobicContact CB-CE2 4.48Å; K813-F817 WeakPolarHBondContact O-CD2 3.4Å; K813-F817 PolarHBondContact O-N 3.05Å; V814-F817 PolarHBondContact O-N 3.05Å; F817-S819 VanDerWaalsContact C-N 3.28Å; F817-S819 PolarHBondContact O-N 3.16Å; F817-Y820 PolarHBondContact O-N 3.12Å; F817-I821 WeakPolarHBondContact O-CB 3.24Å; F817-I821 WeakPolarHBondContact O-CG1 3.49Å; F817-I821 PolarHBondContact O-N 3.41Å
818L87.7Confident83.1Confident63 Ų6360.7 Ų60.733%0.3331%0.314SS..Hα-helixtrans-60.9-38176.9-73.2173.7000112.1V814 L815 T816 G822 Y1047 T1050 I1051 S1054V814-L818 HydrophobicContact CG1-CD1 4.01Å; V814-L818 HydrophobicContact CG1-CG 4.35Å; V814-L818 WeakPolarHBondContact O-CG 3.49Å; V814-L818 PolarHBondContact O-N 3.44Å; L815-L818 PolarHBondContact O-N 2.68Å; T816-L818 PolarHBondContact O-N 2.93Å; L818-G822 WeakPolarHBondContact O-CA 3.26Å; L818-G822 PolarHBondContact O-N 2.89Å; L818-Y1047 HydrophobicContact CD1-CD1 3.9Å; L818-Y1047 HydrophobicContact CD1-CE1 3.93Å; L818-T1050 HydrophobicContact CB-CG2 4.21Å; L818-I1051 HydrophobicContact CD1-CG1 4.28Å; L818-S1054 PolarHBondContact O-OG 2.88Å
819S87.7Confident84.9Confident20 Ų2057.4 Ų57.414%0.1430%0.297CS..Hα-helixtrans-68.5-50.4178.1-55.80000111.4L815 T816 F817 G822 C823 T1050L815-S819 WeakPolarHBondContact O-CB 3.39Å; L815-S819 PolarHBondContact O-N 3.27Å; L815-S819 PolarHBondContact O-OG 2.86Å; T816-S819 PolarHBondContact O-N 2.99Å; F817-S819 VanDerWaalsContact C-N 3.28Å; F817-S819 PolarHBondContact O-N 3.16Å; S819-G822 PolarHBondContact O-N 3.47Å; S819-C823 WeakPolarHBondContact O-CB 3.39Å; S819-C823 PolarHBondContact O-N 2.94Å; S819-C823 PolarHBondContact O-SG 2.99Å; S819-T1050 WeakPolarHBondContact OG-CG2 3.42Å
820Y88.7Confident86.5Confident93 Ų9354.2 Ų54.237%0.36528%0.277SS..Hα-helixtrans-65-47.2-178.8-87.4-99.6000112.6T816 F817 G824 L867T816-Y820 HydrophobicContact CG2-CD2 3.77Å; T816-Y820 HydrophobicContact CG2-CE2 3.77Å; T816-Y820 WeakPolarHBondContact O-CD2 3.38Å; T816-Y820 PolarHBondContact O-N 3.32Å; F817-Y820 PolarHBondContact O-N 3.12Å; Y820-G824 PolarHBondContact O-N 3.37Å; Y820-L867 HydrophobicContact CD1-CD2 3.66Å; Y820-L867 HydrophobicContact CE1-CD2 4.29Å; Y820-L867 HydrophobicContact CG-CD2 4.2Å
821I91.8Very high87.7Confident105 Ų10551 Ų5154%0.53827%0.268SS..Hα-helixtrans-65.1-45.7178.5-65.1171.8000110.1F817 G824 I825F817-I821 WeakPolarHBondContact O-CB 3.24Å; F817-I821 WeakPolarHBondContact O-CG1 3.49Å; F817-I821 PolarHBondContact O-N 3.41Å; I821-G824 PolarHBondContact O-N 3.44Å; I821-I825 HydrophobicContact CG2-CD1 3.88Å; I821-I825 WeakPolarHBondContact O-CG1 3.47Å; I821-I825 PolarHBondContact O-N 3.03Å
822G91.6Very high88.7Confident3 Ų350.4 Ų50.43%0.03127%0.27CS..Hα-helixtrans-62.5-51.6-179.900000112.5L818 S819 G824 I825 S826 S1054L818-G822 WeakPolarHBondContact O-CA 3.26Å; L818-G822 PolarHBondContact O-N 2.89Å; S819-G822 PolarHBondContact O-N 3.47Å; G822-G824 VanDerWaalsContact C-N 3.28Å; G822-G824 PolarHBondContact O-N 3.36Å; G822-I825 PolarHBondContact O-N 3.37Å; G822-S826 WeakPolarHBondContact O-CB 3.08Å; G822-S826 PolarHBondContact O-N 3.35Å; G822-S1054 CarbonylContact C-O 3.52Å
823C92.2Very high89.8Confident9 Ų947.3 Ų47.36%0.06126%0.257CS..Hα-helixtrans-60.8-36.3177-73.40000112S819 S826 A827 N863 F866 L867 S1054S819-C823 WeakPolarHBondContact O-CB 3.39Å; S819-C823 PolarHBondContact O-N 2.94Å; S819-C823 PolarHBondContact O-SG 2.99Å; C823-S826 PolarHBondContact O-N 2.99Å; C823-A827 VanDerWaalsContact O-CB 3.29Å; C823-A827 WeakPolarHBondContact O-CB 3.35Å; C823-A827 PolarHBondContact O-N 3.3Å; C823-N863 HydrophobicContact CB-CB 4.43Å; C823-N863 WeakPolarHBondContact CB-OD1 3.38Å; C823-N863 PolarHBondContact SG-OD1 3.38Å; C823-F866 HydrophobicContact CB-CD1 4.2Å; C823-L867 HydrophobicContact CB-CD1 4.45Å; C823-L867 HydrophobicContact CB-CD2 4.06Å; C823-L867 HydrophobicContact CB-CG 4.17Å; C823-S1054 PolarHBondContact N-O 3.25Å
824G93.8Very high90.7Very high20 Ų2043.8 Ų43.821%0.20624%0.242CC..Hα-helixtrans-62-50.8173.800000112.8Y820 I821 G822 S826 A827 I828Y820-G824 PolarHBondContact O-N 3.37Å; I821-G824 PolarHBondContact O-N 3.44Å; G822-G824 VanDerWaalsContact C-N 3.28Å; G822-G824 PolarHBondContact O-N 3.36Å; G824-S826 VanDerWaalsContact C-N 3.33Å; G824-S826 PolarHBondContact O-N 3.28Å; G824-A827 PolarHBondContact O-N 3.49Å; G824-I828 WeakPolarHBondContact O-CG1 3.32Å; G824-I828 PolarHBondContact O-N 3.49Å
825I94.8Very high91.1Very high70 Ų7046.5 Ų46.536%0.35925%0.254SS..Hα-helixtrans-60.9-44.9176.3-66.6168.2000110.4I821 G822 A827 I828 C829 L1058I821-I825 HydrophobicContact CG2-CD1 3.88Å; I821-I825 WeakPolarHBondContact O-CG1 3.47Å; I821-I825 PolarHBondContact O-N 3.03Å; G822-I825 PolarHBondContact O-N 3.37Å; I825-A827 PolarHBondContact O-N 3.49Å; I825-I828 PolarHBondContact O-N 3.07Å; I825-C829 WeakPolarHBondContact O-CB 3.07Å; I825-C829 PolarHBondContact O-N 2.86Å; I825-C829 PolarHBondContact O-SG 3.32Å; I825-L1058 HydrophobicContact CG2-CB 4.38Å; I825-L1058 HydrophobicContact CG2-CD1 4.22Å; I825-L1058 HydrophobicContact CG2-CD2 4.21Å
826S95.1Very high91.7Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-62.9-40.4179.8179.70000112.6G822 C823 G824 C829 S830 S1054 G1057G822-S826 WeakPolarHBondContact O-CB 3.08Å; G822-S826 PolarHBondContact O-N 3.35Å; C823-S826 PolarHBondContact O-N 2.99Å; G824-S826 VanDerWaalsContact C-N 3.33Å; G824-S826 PolarHBondContact O-N 3.28Å; S826-C829 PolarHBondContact O-N 3.39Å; S826-S830 WeakPolarHBondContact O-CB 3.41Å; S826-S830 PolarHBondContact O-N 2.96Å; S826-S830 PolarHBondContact O-OG 3.02Å; S826-S1054 WeakPolarHBondContact CB-O 3.29Å; S826-S1054 PolarHBondContact OG-O 3.49Å; S826-G1057 VanDerWaalsContact OG-CA 3.23Å; S826-G1057 WeakPolarHBondContact OG-CA 3.22Å; S826-G1057 PolarHBondContact OG-N 2.96Å
827A95.2Very high92.1Very high11 Ų1143.4 Ų43.49%0.09124%0.236CC..Hα-helixtrans-61.7-45.7174.100000111.7C823 G824 I825 C829 S830 A831 L860 N863C823-A827 VanDerWaalsContact O-CB 3.29Å; C823-A827 WeakPolarHBondContact O-CB 3.35Å; C823-A827 PolarHBondContact O-N 3.3Å; G824-A827 PolarHBondContact O-N 3.49Å; I825-A827 PolarHBondContact O-N 3.49Å; A827-C829 PolarHBondContact O-N 2.96Å; A827-S830 PolarHBondContact O-N 3.49Å; A827-A831 WeakPolarHBondContact O-CB 2.97Å; A827-A831 PolarHBondContact O-N 3.19Å; A827-L860 HydrophobicContact CB-CD1 4.16Å; A827-L860 VanDerWaalsContact O-CD1 3.28Å; A827-L860 WeakPolarHBondContact O-CD1 3.24Å; A827-N863 HydrophobicContact CB-CB 4.01Å
828I95.8Very high92.4Very high126 Ų12640.9 Ų40.965%0.64623%0.228SC*.Hα-helixtrans-61.5-46.3177-64.7167.4000110.7G824 I825 A831 A832G824-I828 WeakPolarHBondContact O-CG1 3.32Å; G824-I828 PolarHBondContact O-N 3.49Å; I825-I828 PolarHBondContact O-N 3.07Å; I828-A831 PolarHBondContact O-N 3.02Å; I828-A832 WeakPolarHBondContact O-CB 3.35Å; I828-A832 PolarHBondContact O-N 3.02Å
829C94.9Very high92.4Very high15 Ų1541 Ų4110%0.10124%0.238CC..Hα-helixtrans-66-39.2178.9-75.60000113.2I825 S826 A827 A832 T833 L1058 F1061I825-C829 WeakPolarHBondContact O-CB 3.07Å; I825-C829 PolarHBondContact O-N 2.86Å; I825-C829 PolarHBondContact O-SG 3.32Å; S826-C829 PolarHBondContact O-N 3.39Å; A827-C829 PolarHBondContact O-N 2.96Å; C829-A832 PolarHBondContact O-N 3.47Å; C829-T833 WeakPolarHBondContact O-CB 3.46Å; C829-T833 PolarHBondContact O-N 3.31Å; C829-T833 PolarHBondContact O-OG1 3.5Å; C829-L1058 WeakPolarHBondContact SG-CD1 3.45Å; C829-F1061 HydrophobicContact CB-CB 3.76Å; C829-F1061 HydrophobicContact CB-CD1 4.45Å; C829-F1061 HydrophobicContact CB-CG 4.12Å
830S94Very high92.3Very high1 Ų141.4 Ų41.41%0.00724%0.237CC..Hα-helixtrans-65.3-40.5173.3-76.40000111.6S826 A827 T833 L834S826-S830 WeakPolarHBondContact O-CB 3.41Å; S826-S830 PolarHBondContact O-N 2.96Å; S826-S830 PolarHBondContact O-OG 3.02Å; A827-S830 PolarHBondContact O-N 3.49Å; S830-T833 WeakPolarHBondContact O-CB 3.21Å; S830-T833 PolarHBondContact O-N 3.16Å; S830-L834 WeakPolarHBondContact O-CB 3.08Å; S830-L834 PolarHBondContact O-N 2.79Å
831A95Very high92.1Very high38 Ų3842 Ų4231%0.31424%0.244SC..Hα-helixtrans-63.9-44.1174.200000112A827 I828 T833 L834 L835 L860A827-A831 WeakPolarHBondContact O-CB 2.97Å; A827-A831 PolarHBondContact O-N 3.19Å; I828-A831 PolarHBondContact O-N 3.02Å; A831-T833 VanDerWaalsContact C-N 3.33Å; A831-T833 PolarHBondContact O-N 2.58Å; A831-L834 PolarHBondContact O-N 3.21Å; A831-L835 VanDerWaalsContact O-CB 3.32Å; A831-L835 WeakPolarHBondContact O-CB 3.44Å; A831-L835 PolarHBondContact O-N 3.12Å; A831-L860 HydrophobicContact CB-CD1 4.07Å; A831-L860 HydrophobicContact CB-CD2 4.36Å
832A92.6Very high91.6Very high36 Ų3642.7 Ų42.730%0.29824%0.243SC..Hα-helixtrans-63.2-38.2175.600000112.3I828 C829 T836 F1061I828-A832 WeakPolarHBondContact O-CB 3.35Å; I828-A832 PolarHBondContact O-N 3.02Å; C829-A832 PolarHBondContact O-N 3.47Å; A832-T836 VanDerWaalsContact O-CB 3.31Å; A832-T836 WeakPolarHBondContact O-CB 3.05Å; A832-T836 PolarHBondContact O-N 2.79Å; A832-T836 PolarHBondContact O-OG1 3.41Å; A832-F1061 HydrophobicContact CB-CD2 4.36Å; A832-F1061 HydrophobicContact CB-CE2 4.04Å
833T92.1Very high91.2Very high1 Ų142.8 Ų42.81%0.00624%0.243CC..Hα-helixtrans-61.7-51.7172.8-57.90000110.4C829 S830 A831 L835 T836 Y837 F1061 C1065C829-T833 WeakPolarHBondContact O-CB 3.46Å; C829-T833 PolarHBondContact O-N 3.31Å; C829-T833 PolarHBondContact O-OG1 3.5Å; S830-T833 WeakPolarHBondContact O-CB 3.21Å; S830-T833 PolarHBondContact O-N 3.16Å; A831-T833 VanDerWaalsContact C-N 3.33Å; A831-T833 PolarHBondContact O-N 2.58Å; T833-L835 PolarHBondContact O-N 3.25Å; T833-T836 PolarHBondContact O-N 2.75Å; T833-Y837 HydrophobicContact CG2-CD2 3.87Å; T833-Y837 HydrophobicContact CG2-CE2 4.04Å; T833-Y837 VanDerWaalsContact O-CD2 3.31Å; T833-Y837 WeakPolarHBondContact O-CD2 3.39Å; T833-Y837 PolarHBondContact O-N 3.33Å; T833-F1061 WeakPolarHBondContact OG1-CB 3.28Å; T833-F1061 WeakPolarHBondContact OG1-CD2 3.43Å; T833-C1065 HydrophobicContact CG2-CB 4.27Å
834L93.5Very high90.8Very high28 Ų2847.7 Ų47.715%0.14726%0.26CS..Hα-helixtrans-58.9-48.7179.6-177.759000111.6S830 A831 T836 Y837 I838 M853 L860S830-L834 WeakPolarHBondContact O-CB 3.08Å; S830-L834 PolarHBondContact O-N 2.79Å; A831-L834 PolarHBondContact O-N 3.21Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.26Å; L834-Y837 PolarHBondContact O-N 3.31Å; L834-I838 HydrophobicContact CD1-CD1 3.65Å; L834-I838 HydrophobicContact CD1-CG1 4.13Å; L834-I838 HydrophobicContact CD2-CD1 4.49Å; L834-I838 HydrophobicContact CG-CD1 3.7Å; L834-I838 HydrophobicContact CG-CG1 4.48Å; L834-I838 WeakPolarHBondContact O-CB 2.96Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.35Å; L834-I838 PolarHBondContact O-N 3.02Å; L834-M853 HydrophobicContact CD1-CG 3.27Å; L834-M853 HydrophobicContact CD1-SD 4.2Å; L834-L860 HydrophobicContact CD2-CD2 4.22Å
835L92.1Very high90.2Very high120 Ų12054.5 Ų54.563%0.62828%0.279SS*.Hα-helixtrans-60.2-43.8178.8-170.3153.1000111.5A831 T833 Y837 I838 A839A831-L835 VanDerWaalsContact O-CB 3.32Å; A831-L835 WeakPolarHBondContact O-CB 3.44Å; A831-L835 PolarHBondContact O-N 3.12Å; T833-L835 PolarHBondContact O-N 3.25Å; L835-Y837 PolarHBondContact O-N 3.11Å; L835-I838 PolarHBondContact O-N 2.48Å; L835-A839 WeakPolarHBondContact O-CB 3.47Å; L835-A839 PolarHBondContact O-N 3.49Å
836T90.4Very high89.7Confident11 Ų1154.7 Ų54.77%0.06728%0.281CS..Hα-helixtrans-59.5-48176.4-64.60000111.6A832 T833 L834 I838 F840 V1071 W1075A832-T836 VanDerWaalsContact O-CB 3.31Å; A832-T836 WeakPolarHBondContact O-CB 3.05Å; A832-T836 PolarHBondContact O-N 2.79Å; A832-T836 PolarHBondContact O-OG1 3.41Å; T833-T836 PolarHBondContact O-N 2.75Å; L834-T836 VanDerWaalsContact C-N 3.34Å; L834-T836 PolarHBondContact O-N 3.26Å; T836-I838 VanDerWaalsContact C-N 3.34Å; T836-I838 PolarHBondContact O-N 3.1Å; T836-F840 HydrophobicContact CG2-CD2 4.02Å; T836-F840 HydrophobicContact CG2-CE2 4.19Å; T836-F840 WeakPolarHBondContact O-CD2 3.45Å; T836-F840 PolarHBondContact O-N 2.82Å; T836-V1071 HydrophobicContact CG2-CG1 3.75Å; T836-W1075 HydrophobicContact CG2-CZ2 4.08Å
837Y90.9Very high89.2Confident1 Ų159.3 Ų59.30%0.00430%0.299CS..Hα-helixtrans-72.7-25.7-178.2-84.5-77000113.7T833 L834 L835 L843 S849 L852 H1064 K1068 V1071T833-Y837 HydrophobicContact CG2-CD2 3.87Å; T833-Y837 HydrophobicContact CG2-CE2 4.04Å; T833-Y837 VanDerWaalsContact O-CD2 3.31Å; T833-Y837 WeakPolarHBondContact O-CD2 3.39Å; T833-Y837 PolarHBondContact O-N 3.33Å; L834-Y837 PolarHBondContact O-N 3.31Å; L835-Y837 PolarHBondContact O-N 3.11Å; Y837-L843 HydrophobicContact CD1-CB 3.83Å; Y837-L843 HydrophobicContact CE1-CB 3.97Å; Y837-L843 HydrophobicContact CE1-CD2 3.98Å; Y837-L843 HydrophobicContact CE1-CG 4.47Å; Y837-S849 WeakPolarHBondContact CE1-OG 3.49Å; Y837-L852 HydrophobicContact CE2-CD2 3.89Å; Y837-H1064 PolarHBondContact OH-O 3.47Å; Y837-K1068 WeakPolarHBondContact OH-CD 3.16Å; Y837-K1068 PolarHBondContact OH-NZ 2.97Å; Y837-K1068 VanDerWaalsContact OH-NZ 3.12Å; Y837-V1071 WeakPolarHBondContact OH-CG2 3.34Å
838I89.9Confident88.7Confident87 Ų8761.3 Ų61.345%0.44631%0.311SS..Hα-helixtrans-76.6-44.6173.1-70.3172.7000111.2L834 L835 T836 F840 M853L834-I838 HydrophobicContact CD1-CD1 3.65Å; L834-I838 HydrophobicContact CD1-CG1 4.13Å; L834-I838 HydrophobicContact CD2-CD1 4.49Å; L834-I838 HydrophobicContact CG-CD1 3.7Å; L834-I838 HydrophobicContact CG-CG1 4.48Å; L834-I838 WeakPolarHBondContact O-CB 2.96Å; L834-I838 VanDerWaalsContact O-CG1 3.25Å; L834-I838 WeakPolarHBondContact O-CG1 3.35Å; L834-I838 PolarHBondContact O-N 3.02Å; L835-I838 PolarHBondContact O-N 2.48Å; T836-I838 VanDerWaalsContact C-N 3.34Å; T836-I838 PolarHBondContact O-N 3.1Å; I838-F840 VanDerWaalsContact C-N 3.33Å; I838-F840 PolarHBondContact O-N 2.05Å; I838-M853 HydrophobicContact CG1-SD 3.79Å
839A87.4Confident88.4Confident66 Ų6655.4 Ų55.455%0.54528%0.281SS..Hα-helixtrans-66.5-32.6-174.100000113L835L835-A839 WeakPolarHBondContact O-CB 3.47Å; L835-A839 PolarHBondContact O-N 3.49Å
840F87.5Confident88.2Confident28 Ų2857.3 Ų57.312%0.12329%0.287CS..  trans-105.5102.6-177.1-62-61.4000111.8T836 I838 K842 L843 R844 Q1074 W1075 Y1078 L1079T836-F840 HydrophobicContact CG2-CD2 4.02Å; T836-F840 HydrophobicContact CG2-CE2 4.19Å; T836-F840 WeakPolarHBondContact O-CD2 3.45Å; T836-F840 PolarHBondContact O-N 2.82Å; I838-F840 VanDerWaalsContact C-N 3.33Å; I838-F840 PolarHBondContact O-N 2.05Å; F840-K842 PolarHBondContact O-N 2.91Å; F840-K842 VanDerWaalsContact O-N 3.15Å; F840-L843 HydrophobicContact CB-CB 4.25Å; F840-L843 HydrophobicContact CB-CD1 3.68Å; F840-L843 HydrophobicContact CB-CG 4.28Å; F840-L843 HydrophobicContact CD2-CD1 3.91Å; F840-L843 HydrophobicContact CG-CD1 4.11Å; F840-L843 PolarHBondContact O-N 2.8Å; F840-R844 PolarHBondContact O-N 2.8Å; F840-Q1074 HydrophobicContact CD1-CB 4.29Å; F840-Q1074 HydrophobicContact CD2-CB 4.29Å; F840-Q1074 HydrophobicContact CE1-CB 4.49Å; F840-Q1074 HydrophobicContact CG-CB 4.2Å; F840-W1075 AromaticContact CE2-CD1 3.68Å; F840-W1075 AromaticContact CE2-NE1 3.94Å; F840-Y1078 HydrophobicContact CD1-CD2 4.04Å; F840-Y1078 AromaticContact CE1-CD2 3.62Å; F840-Y1078 HydrophobicContact CE1-CD2 3.62Å; F840-Y1078 AromaticContact CE1-CG 3.89Å; F840-Y1078 HydrophobicContact CE1-CG 3.89Å; F840-L1079 HydrophobicContact CE2-CD1 4.21Å; F840-L1079 HydrophobicContact CZ-CD1 3.87Å
841E82.8Confident88Confident107 Ų10757.3 Ų57.350%0.529%0.287SS..Hα-helixtrans-56.4-36.2-178.8-162.2-160.5145.700112.9L843 R844 R845E841-L843 VanDerWaalsContact C-N 3.25Å; E841-L843 PolarHBondContact O-N 3.05Å; E841-R844 PolarHBondContact O-N 2.02Å; E841-R844 VanDerWaalsContact O-N 3.16Å; E841-R845 PolarHBondContact O-N 2.98Å; E841-R845 IonicContact OE1-CZ 2.79Å; E841-R845 IonicContact OE1-NE 2.7Å; E841-R845 PolarHBondContact OE1-NE 2.95Å; E841-R845 IonicContact OE1-NH2 3.31Å; E841-R845 PolarHBondContact OE1-NH2 2.88Å
842K81.9Confident87.8Confident118 Ų11855.7 Ų55.751%0.51327%0.274SS..Hα-helixtrans-61.6-32.9179.4-163.9171.6-1761760112.3F840 D1091F840-K842 PolarHBondContact O-N 2.91Å; F840-K842 VanDerWaalsContact O-N 3.15Å; K842-D1091 IonicContact NZ-OD2 3Å
843L83.1Confident87.8Confident6 Ų656 Ų563%0.03127%0.269CS..Hα-helixtrans-78.9-30177.6-77.6160.5000112.4Y837 F840 E841 R845 S849 N1070 V1071 Q1074Y837-L843 HydrophobicContact CD1-CB 3.83Å; Y837-L843 HydrophobicContact CE1-CB 3.97Å; Y837-L843 HydrophobicContact CE1-CD2 3.98Å; Y837-L843 HydrophobicContact CE1-CG 4.47Å; F840-L843 HydrophobicContact CB-CB 4.25Å; F840-L843 HydrophobicContact CB-CD1 3.68Å; F840-L843 HydrophobicContact CB-CG 4.28Å; F840-L843 HydrophobicContact CD2-CD1 3.91Å; F840-L843 HydrophobicContact CG-CD1 4.11Å; F840-L843 PolarHBondContact O-N 2.8Å; E841-L843 VanDerWaalsContact C-N 3.25Å; E841-L843 PolarHBondContact O-N 3.05Å; L843-R845 VanDerWaalsContact C-N 3.33Å; L843-R845 PolarHBondContact O-N 3.32Å; L843-S849 WeakPolarHBondContact O-CB 3.49Å; L843-S849 PolarHBondContact O-OG 3.04Å; L843-N1070 HydrophobicContact CD2-CB 4.3Å; L843-V1071 HydrophobicContact CD1-CB 4.5Å; L843-V1071 HydrophobicContact CD1-CG2 4.08Å; L843-V1071 HydrophobicContact CD2-CG2 3.58Å; L843-Q1074 HydrophobicContact CD1-CB 4.14Å; L843-Q1074 HydrophobicContact CD1-CG 3.82Å; L843-Q1074 HydrophobicContact CG-CG 4.16Å
844R84.6Confident87.9Confident112 Ų11257.1 Ų57.142%0.42328%0.275SS..Hα-helixtrans-75.3-15-178.6-168.3173.865.6-175.4-1.8114.2F840 E841 K850F840-R844 PolarHBondContact O-N 2.8Å; E841-R844 PolarHBondContact O-N 2.02Å; E841-R844 VanDerWaalsContact O-N 3.16Å; R844-K850 WeakPolarHBondContact O-CE 2.99Å; R844-K850 WeakPolarHBondContact O-CG 3.19Å
845R81.4Confident87.9Confident163 Ų16355.9 Ų55.962%0.61527%0.269SS*.THydrogen-bonded Turntrans-70.9-31.1-176.9-74.6-178.7-178.2174.91.5113E841 L843 K850E841-R845 PolarHBondContact O-N 2.98Å; E841-R845 IonicContact OE1-CZ 2.79Å; E841-R845 IonicContact OE1-NE 2.7Å; E841-R845 PolarHBondContact OE1-NE 2.95Å; E841-R845 IonicContact OE1-NH2 3.31Å; E841-R845 PolarHBondContact OE1-NH2 2.88Å; L843-R845 VanDerWaalsContact C-N 3.33Å; L843-R845 PolarHBondContact O-N 3.32Å; R845-K850 PolarHBondContact O-NZ 3.18Å
846D83.6Confident88Confident73 Ų7350.1 Ų50.139%0.3924%0.239SC..SBendtrans-73.2138.5-176.9-62.5-24.8000112.5S849 K850D846-S849 PolarHBondContact O-N 2.62Å; D846-K850 WeakPolarHBondContact O-CG 3.46Å; D846-K850 PolarHBondContact O-N 2.9Å; D846-K850 VanDerWaalsContact O-N 3.15Å
847Y84.7Confident88.2Confident97 Ų9751 Ų5138%0.3824%0.244SC..Hα-helixtrans-60.6-45.7176.5-68.9-64.4000113.9S849 K850 I851 Y922Y847-S849 VanDerWaalsContact C-N 3.26Å; Y847-S849 PolarHBondContact O-N 2.75Å; Y847-K850 PolarHBondContact O-N 2.71Å; Y847-K850 VanDerWaalsContact O-N 3.09Å; Y847-I851 WeakPolarHBondContact O-CG1 3.31Å; Y847-I851 PolarHBondContact O-N 2.77Å; Y847-Y922 AromaticContact CD1-CD1 3.67Å; Y847-Y922 HydrophobicContact CD1-CD1 3.67Å; Y847-Y922 HydrophobicContact CD1-CE1 4.37Å; Y847-Y922 AromaticContact CE1-CD1 3.93Å; Y847-Y922 HydrophobicContact CE1-CD1 3.93Å; Y847-Y922 AromaticContact CG-CD1 3.99Å; Y847-Y922 HydrophobicContact CG-CD1 3.99Å; Y847-Y922 HydrophobicContact CG-CE1 4.34Å
848P85.5Confident88.4Confident53 Ų5351 Ų5134%0.34424%0.244SC..Hα-helixtrans-57.2-39.7175.1-19.624.1000112.7K850 I851 L852 H906P848-K850 VanDerWaalsContact C-N 3.33Å; P848-K850 PolarHBondContact O-N 2.92Å; P848-I851 PolarHBondContact O-N 3.18Å; P848-L852 VanDerWaalsContact O-CB 3.24Å; P848-L852 WeakPolarHBondContact O-CB 3.24Å; P848-L852 PolarHBondContact O-N 3Å; P848-H906 WeakPolarHBondContact CD-NE2 3.32Å; P848-H906 WeakPolarHBondContact CG-NE2 3.41Å
849S88.1Confident88.5Confident2 Ų247 Ų471%0.01422%0.223CC..Hα-helixtrans-65.7-35.9178.2-58.50000112Y837 L843 D846 Y847 M853Y837-S849 WeakPolarHBondContact CE1-OG 3.49Å; L843-S849 WeakPolarHBondContact O-CB 3.49Å; L843-S849 PolarHBondContact O-OG 3.04Å; D846-S849 PolarHBondContact O-N 2.62Å; Y847-S849 VanDerWaalsContact C-N 3.26Å; Y847-S849 PolarHBondContact O-N 2.75Å; S849-M853 VanDerWaalsContact O-CB 3.29Å; S849-M853 WeakPolarHBondContact O-CB 2.95Å; S849-M853 PolarHBondContact O-N 2.72Å
850K90.6Very high88.9Confident55 Ų5544.9 Ų44.924%0.23920%0.203CC..Hα-helixtrans-68.8-39.5175.3-67.1173.2-171.41710112.1R844 R845 D846 Y847 P848 M853 N854 I923R844-K850 WeakPolarHBondContact O-CE 2.99Å; R844-K850 WeakPolarHBondContact O-CG 3.19Å; R845-K850 PolarHBondContact O-NZ 3.18Å; D846-K850 WeakPolarHBondContact O-CG 3.46Å; D846-K850 PolarHBondContact O-N 2.9Å; D846-K850 VanDerWaalsContact O-N 3.15Å; Y847-K850 PolarHBondContact O-N 2.71Å; Y847-K850 VanDerWaalsContact O-N 3.09Å; P848-K850 VanDerWaalsContact C-N 3.33Å; P848-K850 PolarHBondContact O-N 2.92Å; K850-M853 PolarHBondContact O-N 3.5Å; K850-N854 PolarHBondContact O-N 3.4Å; K850-N854 PolarHBondContact O-ND2 3.42Å; K850-I923 HydrophobicContact CB-CD1 3.79Å; K850-I923 HydrophobicContact CB-CG1 4.16Å; K850-I923 HydrophobicContact CD-CG1 4.19Å
851I91.1Very high89.3Confident1 Ų148 Ų481%0.00522%0.216CC..Hα-helixtrans-67.3-47.3176.7-62.7168.9000109.7Y847 P848 M853 N854 L855 W899 E903 H906 I923 F926Y847-I851 WeakPolarHBondContact O-CG1 3.31Å; Y847-I851 PolarHBondContact O-N 2.77Å; P848-I851 PolarHBondContact O-N 3.18Å; I851-M853 VanDerWaalsContact C-N 3.26Å; I851-M853 PolarHBondContact O-N 3.38Å; I851-N854 PolarHBondContact O-N 3.45Å; I851-N854 VanDerWaalsContact O-N 3.08Å; I851-L855 PolarHBondContact O-N 2.82Å; I851-W899 HydrophobicContact CG1-CZ3 4.47Å; I851-W899 HydrophobicContact CG2-CE3 3.92Å; I851-W899 HydrophobicContact CG2-CZ3 4.13Å; I851-E903 WeakPolarHBondContact CB-OE2 3.19Å; I851-E903 HydrophobicContact CG2-CB 4.03Å; I851-E903 WeakPolarHBondContact CG2-OE2 3.25Å; I851-H906 HydrophobicContact CD1-CB 3.64Å; I851-I923 HydrophobicContact CG1-CD1 4.21Å; I851-F926 HydrophobicContact CD1-CD1 4.1Å; I851-F926 HydrophobicContact CD1-CE1 4.26Å; I851-F926 HydrophobicContact CG1-CD1 4.48Å
852L90.8Very high89.8Confident5 Ų543.6 Ų43.63%0.02620%0.197CC..Hα-helixtrans-57-38.7175-177.864000112.6Y837 P848 L855 S856 L1026 I1060 H1064Y837-L852 HydrophobicContact CE2-CD2 3.89Å; P848-L852 VanDerWaalsContact O-CB 3.24Å; P848-L852 WeakPolarHBondContact O-CB 3.24Å; P848-L852 PolarHBondContact O-N 3Å; L852-L855 PolarHBondContact O-N 3.27Å; L852-S856 VanDerWaalsContact O-CB 3.29Å; L852-S856 WeakPolarHBondContact O-CB 3.18Å; L852-S856 PolarHBondContact O-N 2.86Å; L852-S856 PolarHBondContact O-OG 3.03Å; L852-L1026 HydrophobicContact CD1-CD1 4.03Å; L852-I1060 HydrophobicContact CD1-CG2 3.69Å; L852-H1064 HydrophobicContact CD2-CB 3.79Å
853M92Very high90.4Very high41 Ų4138.6 Ų38.620%0.20218%0.175CC..Hα-helixtrans-63.6-43.3176.7-161.6175.37200111.3L834 I838 S849 K850 I851 S856 T857L834-M853 HydrophobicContact CD1-CG 3.27Å; L834-M853 HydrophobicContact CD1-SD 4.2Å; I838-M853 HydrophobicContact CG1-SD 3.79Å; S849-M853 VanDerWaalsContact O-CB 3.29Å; S849-M853 WeakPolarHBondContact O-CB 2.95Å; S849-M853 PolarHBondContact O-N 2.72Å; K850-M853 PolarHBondContact O-N 3.5Å; I851-M853 VanDerWaalsContact C-N 3.26Å; I851-M853 PolarHBondContact O-N 3.38Å; M853-S856 PolarHBondContact O-N 3.23Å; M853-T857 PolarHBondContact O-N 3.04Å; M853-T857 PolarHBondContact O-OG1 3.01Å
854N94.1Very high90.8Very high26 Ų2641.5 Ų41.514%0.13919%0.19CC..Hα-helixtrans-68.3-41.3176.4-76-88.9000112.4K850 I851 S856 T857 S858 W899 W931K850-N854 PolarHBondContact O-N 3.4Å; K850-N854 PolarHBondContact O-ND2 3.42Å; I851-N854 PolarHBondContact O-N 3.45Å; I851-N854 VanDerWaalsContact O-N 3.08Å; N854-S856 VanDerWaalsContact C-N 3.35Å; N854-T857 WeakPolarHBondContact O-CB 2.96Å; N854-T857 PolarHBondContact O-N 3.3Å; N854-S858 PolarHBondContact O-N 3.29Å; N854-W899 HydrophobicContact CB-CD2 3.76Å; N854-W899 VanDerWaalsContact CB-CE2 3.47Å; N854-W899 HydrophobicContact CB-CE3 3.98Å; N854-W899 HydrophobicContact CB-CG 4.48Å; N854-W899 HydrophobicContact CB-CH2 3.67Å; N854-W899 HydrophobicContact CB-CZ2 3.44Å; N854-W899 VanDerWaalsContact CB-CZ2 3.44Å; N854-W899 HydrophobicContact CB-CZ3 3.94Å; N854-W931 PolarHBondContact OD1-NE1 3.09Å
855L93.1Very high91.2Very high1 Ų137 Ų371%0.00518%0.175CC..Hα-helixtrans-60-45.2173.8177.660.2000111.3I851 L852 T857 S858 L859 W899 M900 L1026 I1060I851-L855 PolarHBondContact O-N 2.82Å; L852-L855 PolarHBondContact O-N 3.27Å; L855-T857 VanDerWaalsContact C-N 3.33Å; L855-T857 PolarHBondContact O-N 3.03Å; L855-S858 PolarHBondContact O-N 2.89Å; L855-L859 HydrophobicContact CD1-CD1 4.22Å; L855-L859 HydrophobicContact CD1-CG 4.34Å; L855-L859 HydrophobicContact CG-CD1 4.19Å; L855-L859 WeakPolarHBondContact O-CG 3.47Å; L855-L859 PolarHBondContact O-N 3.47Å; L855-W899 HydrophobicContact CB-CB 4.08Å; L855-W899 HydrophobicContact CD1-CB 3.81Å; L855-M900 HydrophobicContact CD1-CE 4.02Å; L855-M900 HydrophobicContact CD1-CG 3.73Å; L855-M900 HydrophobicContact CD2-CG 4.28Å; L855-L1026 HydrophobicContact CD2-CD1 4.45Å; L855-I1060 HydrophobicContact CD2-CD1 4.44Å
856S93.8Very high91.7Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-64.7-37177.8-56.40000111.8L852 M853 N854 L860L852-S856 VanDerWaalsContact O-CB 3.29Å; L852-S856 WeakPolarHBondContact O-CB 3.18Å; L852-S856 PolarHBondContact O-N 2.86Å; L852-S856 PolarHBondContact O-OG 3.03Å; M853-S856 PolarHBondContact O-N 3.23Å; N854-S856 VanDerWaalsContact C-N 3.35Å; S856-L860 VanDerWaalsContact O-CB 3.25Å; S856-L860 WeakPolarHBondContact O-CB 3.31Å; S856-L860 PolarHBondContact O-N 3.46Å
857T94.6Very high92Very high29 Ų2930.5 Ų30.518%0.17815%0.15CC..Hα-helixtrans-63.8-45.5173.2-61.80000111.7M853 N854 L855 L860 F861 W931M853-T857 PolarHBondContact O-N 3.04Å; M853-T857 PolarHBondContact O-OG1 3.01Å; N854-T857 WeakPolarHBondContact O-CB 2.96Å; N854-T857 PolarHBondContact O-N 3.3Å; L855-T857 VanDerWaalsContact C-N 3.33Å; L855-T857 PolarHBondContact O-N 3.03Å; T857-L860 PolarHBondContact O-N 3.49Å; T857-F861 HydrophobicContact CG2-CD2 3.79Å; T857-F861 HydrophobicContact CG2-CE2 3.59Å; T857-F861 WeakPolarHBondContact O-CD2 3.48Å; T857-F861 PolarHBondContact O-N 2.85Å; T857-F861 VanDerWaalsContact O-N 3.11Å; T857-W931 HydrophobicContact CG2-CH2 4.33Å; T857-W931 HydrophobicContact CG2-CZ2 4.4Å
858S95.4Very high92.2Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-61.5-46.7177.3-172.40000111.9N854 L855 L860 F861 L862 F892 T895 S896N854-S858 PolarHBondContact O-N 3.29Å; L855-S858 PolarHBondContact O-N 2.89Å; S858-L860 PolarHBondContact O-N 3.36Å; S858-F861 PolarHBondContact O-N 3.1Å; S858-L862 WeakPolarHBondContact O-CB 3.07Å; S858-L862 PolarHBondContact O-N 2.92Å; S858-F892 PolarHBondContact OG-O 3.1Å; S858-T895 WeakPolarHBondContact OG-CB 3.49Å; S858-S896 PolarHBondContact OG-N 3.45Å; S858-S896 VanDerWaalsContact OG-N 3.13Å; S858-S896 PolarHBondContact OG-OG 2.76Å
859L93Very high92.2Very high3 Ų327.6 Ų27.62%0.01614%0.138CC..Hα-helixtrans-65-37.3177-71.6173.4000112.2L855 L862 N863 M900 I1060L855-L859 HydrophobicContact CD1-CD1 4.22Å; L855-L859 HydrophobicContact CD1-CG 4.34Å; L855-L859 HydrophobicContact CG-CD1 4.19Å; L855-L859 WeakPolarHBondContact O-CG 3.47Å; L855-L859 PolarHBondContact O-N 3.47Å; L859-L862 HydrophobicContact CD2-CD2 4.5Å; L859-L862 PolarHBondContact O-N 2.92Å; L859-N863 WeakPolarHBondContact O-CB 3.27Å; L859-N863 PolarHBondContact O-N 3.5Å; L859-N863 PolarHBondContact O-ND2 3.37Å; L859-M900 HydrophobicContact CD2-CE 4.04Å; L859-I1060 HydrophobicContact CD1-CD1 3.52Å
860L95.4Very high91.7Very high23 Ų2328.5 Ų28.512%0.1215%0.147CC..Hα-helixtrans-60.5-50.4176.5177.264000111A827 A831 L834 S856 T857 S858 N863 I864A827-L860 HydrophobicContact CB-CD1 4.16Å; A827-L860 VanDerWaalsContact O-CD1 3.28Å; A827-L860 WeakPolarHBondContact O-CD1 3.24Å; A831-L860 HydrophobicContact CB-CD1 4.07Å; A831-L860 HydrophobicContact CB-CD2 4.36Å; L834-L860 HydrophobicContact CD2-CD2 4.22Å; S856-L860 VanDerWaalsContact O-CB 3.25Å; S856-L860 WeakPolarHBondContact O-CB 3.31Å; S856-L860 PolarHBondContact O-N 3.46Å; T857-L860 PolarHBondContact O-N 3.49Å; S858-L860 PolarHBondContact O-N 3.36Å; L860-N863 PolarHBondContact O-N 3.03Å; L860-I864 HydrophobicContact CD1-CD1 3.86Å; L860-I864 HydrophobicContact CD1-CG1 4.36Å; L860-I864 HydrophobicContact CG-CD1 3.94Å; L860-I864 WeakPolarHBondContact O-CG1 3.42Å; L860-I864 PolarHBondContact O-N 2.88Å
861F95.4Very high91.3Very high92 Ų9233.5 Ų33.540%0.40417%0.165SC..Hα-helixtrans-66.7-38.9178.8-75.3-64.2000112.5T857 S858 N863 I864 V865 F892T857-F861 HydrophobicContact CG2-CD2 3.79Å; T857-F861 HydrophobicContact CG2-CE2 3.59Å; T857-F861 WeakPolarHBondContact O-CD2 3.48Å; T857-F861 PolarHBondContact O-N 2.85Å; T857-F861 VanDerWaalsContact O-N 3.11Å; S858-F861 PolarHBondContact O-N 3.1Å; F861-N863 PolarHBondContact O-N 2.94Å; F861-I864 PolarHBondContact O-N 3.46Å; F861-V865 WeakPolarHBondContact O-CB 3.19Å; F861-V865 VanDerWaalsContact O-CG2 3.27Å; F861-V865 WeakPolarHBondContact O-CG2 3.35Å; F861-V865 PolarHBondContact O-N 3.42Å; F861-F892 HydrophobicContact CB-CD1 3.77Å; F861-F892 HydrophobicContact CB-CD2 3.85Å; F861-F892 HydrophobicContact CB-CE1 3.62Å; F861-F892 HydrophobicContact CB-CE2 3.71Å; F861-F892 HydrophobicContact CB-CG 3.9Å; F861-F892 HydrophobicContact CB-CZ 3.59Å; F861-F892 HydrophobicContact CD1-CZ 4.42Å; F861-F892 HydrophobicContact CD2-CE1 4.05Å; F861-F892 HydrophobicContact CD2-CZ 4.24Å; F861-F892 HydrophobicContact CG-CE1 4.01Å; F861-F892 HydrophobicContact CG-CE2 4.33Å; F861-F892 AromaticContact CG-CZ 3.86Å; F861-F892 HydrophobicContact CG-CZ 3.86Å
862L93.9Very high90.9Very high16 Ų1635.1 Ų35.18%0.08417%0.173CC..Hα-helixtrans-56.8-48.9174-179.960.9000111.6S858 L859 F866 L889 F892 L893S858-L862 WeakPolarHBondContact O-CB 3.07Å; S858-L862 PolarHBondContact O-N 2.92Å; L859-L862 HydrophobicContact CD2-CD2 4.5Å; L859-L862 PolarHBondContact O-N 2.92Å; L862-F866 VanDerWaalsContact O-CB 3.29Å; L862-F866 WeakPolarHBondContact O-CB 3.15Å; L862-F866 PolarHBondContact O-N 3.18Å; L862-L889 HydrophobicContact CD1-CD2 4.05Å; L862-L889 HydrophobicContact CD1-CG 4.23Å; L862-F892 HydrophobicContact CB-CB 3.93Å; L862-F892 HydrophobicContact CD1-CB 4.24Å; L862-L893 HydrophobicContact CD1-CB 4.09Å; L862-L893 HydrophobicContact CD2-CD1 4.22Å
863N93.2Very high90.1Very high12 Ų1235 Ų356%0.06417%0.173CC..Hα-helixtrans-67.1-39.6-179.9-74.9-68.4000112.2C823 A827 L859 L860 F861 L867C823-N863 HydrophobicContact CB-CB 4.43Å; C823-N863 WeakPolarHBondContact CB-OD1 3.38Å; C823-N863 PolarHBondContact SG-OD1 3.38Å; A827-N863 HydrophobicContact CB-CB 4.01Å; L859-N863 WeakPolarHBondContact O-CB 3.27Å; L859-N863 PolarHBondContact O-N 3.5Å; L859-N863 PolarHBondContact O-ND2 3.37Å; L860-N863 PolarHBondContact O-N 3.03Å; F861-N863 PolarHBondContact O-N 2.94Å; N863-L867 WeakPolarHBondContact O-CB 3.5Å; N863-L867 WeakPolarHBondContact O-CG 3.16Å; N863-L867 PolarHBondContact O-N 2.88Å
864I93.1Very high89.2Confident68 Ų6836.6 Ų36.635%0.34919%0.188SC..Hα-helixtrans-64-47.4177.2-71.1171.1000110.9L860 F861 F866 L867 L868L860-I864 HydrophobicContact CD1-CD1 3.86Å; L860-I864 HydrophobicContact CD1-CG1 4.36Å; L860-I864 HydrophobicContact CG-CD1 3.94Å; L860-I864 WeakPolarHBondContact O-CG1 3.42Å; L860-I864 PolarHBondContact O-N 2.88Å; F861-I864 PolarHBondContact O-N 3.46Å; I864-F866 PolarHBondContact O-N 3.32Å; I864-L867 PolarHBondContact O-N 2.86Å; I864-L868 HydrophobicContact CG2-CD1 3.86Å; I864-L868 VanDerWaalsContact O-CG 3.29Å; I864-L868 WeakPolarHBondContact O-CG 3.47Å; I864-L868 PolarHBondContact O-N 3.39Å; I864-L868 VanDerWaalsContact O-N 3.09Å
865V92.4Very high88.2Confident17 Ų1739.5 Ų39.510%0.10320%0.202CC..Hα-helixtrans-64.2-42.3179.5177.40000110.4F861 L867 L868 D869 L888 L889 F892F861-V865 WeakPolarHBondContact O-CB 3.19Å; F861-V865 VanDerWaalsContact O-CG2 3.27Å; F861-V865 WeakPolarHBondContact O-CG2 3.35Å; F861-V865 PolarHBondContact O-N 3.42Å; V865-L867 PolarHBondContact O-N 3.46Å; V865-L868 PolarHBondContact O-N 3.42Å; V865-D869 WeakPolarHBondContact O-CB 3.25Å; V865-D869 PolarHBondContact O-N 2.89Å; V865-L888 HydrophobicContact CG1-CB 4.17Å; V865-L888 HydrophobicContact CG2-CB 4.32Å; V865-L889 HydrophobicContact CG1-CB 3.9Å; V865-L889 HydrophobicContact CG1-CD1 4.24Å; V865-L889 HydrophobicContact CG1-CG 4.29Å; V865-F892 HydrophobicContact CG2-CD2 4.3Å; V865-F892 HydrophobicContact CG2-CE2 4.36Å
866F90.9Very high86.5Confident53 Ų5345 Ų4523%0.23224%0.236CC..Hα-helixtrans-60.9-41.6175.8178.8-98000113.3C823 L862 I864 L868 D869 L889 M962C823-F866 HydrophobicContact CB-CD1 4.2Å; L862-F866 VanDerWaalsContact O-CB 3.29Å; L862-F866 WeakPolarHBondContact O-CB 3.15Å; L862-F866 PolarHBondContact O-N 3.18Å; I864-F866 PolarHBondContact O-N 3.32Å; F866-L868 VanDerWaalsContact C-N 3.33Å; F866-L868 PolarHBondContact O-N 3.35Å; F866-D869 VanDerWaalsContact O-CB 3.32Å; F866-D869 WeakPolarHBondContact O-CB 3.44Å; F866-D869 PolarHBondContact O-N 3.31Å; F866-L889 HydrophobicContact CB-CD1 4.11Å; F866-L889 HydrophobicContact CD2-CD1 4.19Å; F866-M962 HydrophobicContact CD2-CE 4.28Å; F866-M962 HydrophobicContact CE2-CE 4.18Å
867L90.1Very high84.9Confident47 Ų4756.4 Ų56.425%0.24628%0.28CS..Hα-helixtrans-68.1-33.2177.7-72.1168.7000112.8Y820 C823 N863 I864 V865Y820-L867 HydrophobicContact CD1-CD2 3.66Å; Y820-L867 HydrophobicContact CE1-CD2 4.29Å; Y820-L867 HydrophobicContact CG-CD2 4.2Å; C823-L867 HydrophobicContact CB-CD1 4.45Å; C823-L867 HydrophobicContact CB-CD2 4.06Å; C823-L867 HydrophobicContact CB-CG 4.17Å; N863-L867 WeakPolarHBondContact O-CB 3.5Å; N863-L867 WeakPolarHBondContact O-CG 3.16Å; N863-L867 PolarHBondContact O-N 2.88Å; I864-L867 PolarHBondContact O-N 2.86Å; V865-L867 PolarHBondContact O-N 3.46Å
868L88.9Confident83.6Confident87 Ų8757.1 Ų57.146%0.45529%0.286SS..Hα-helixtrans-80.4-19.6177.1-66.4173.7000112.7I864 V865 F866 G870 W871 L872I864-L868 HydrophobicContact CG2-CD1 3.86Å; I864-L868 VanDerWaalsContact O-CG 3.29Å; I864-L868 WeakPolarHBondContact O-CG 3.47Å; I864-L868 PolarHBondContact O-N 3.39Å; I864-L868 VanDerWaalsContact O-N 3.09Å; V865-L868 PolarHBondContact O-N 3.42Å; F866-L868 VanDerWaalsContact C-N 3.33Å; F866-L868 PolarHBondContact O-N 3.35Å; L868-G870 PolarHBondContact O-N 3.41Å; L868-W871 PolarHBondContact O-N 3.09Å; L868-W871 VanDerWaalsContact O-N 3.15Å; L868-L872 HydrophobicContact CB-CD1 4.14Å; L868-L872 WeakPolarHBondContact O-CG 3.02Å; L868-L872 PolarHBondContact O-N 3.03Å
869D85.6Confident82.5Confident2 Ų264.6 Ų64.61%0.01132%0.321CS..Hα-helixtrans-56.8-51.9-172.2-169.585.6000113.1V865 F866 W871 L872 A873 L889 M962 C963V865-D869 WeakPolarHBondContact O-CB 3.25Å; V865-D869 PolarHBondContact O-N 2.89Å; F866-D869 VanDerWaalsContact O-CB 3.32Å; F866-D869 WeakPolarHBondContact O-CB 3.44Å; F866-D869 PolarHBondContact O-N 3.31Å; D869-W871 PolarHBondContact O-N 3.32Å; D869-L872 CarbonylContact O-C 3.58Å; D869-L872 PolarHBondContact O-N 2.96Å; D869-A873 WeakPolarHBondContact O-CB 3.42Å; D869-A873 PolarHBondContact O-N 3.45Å; D869-L889 HydrophobicContact CB-CD1 4.3Å; D869-M962 WeakPolarHBondContact OD2-CA 3.34Å; D869-M962 WeakPolarHBondContact OD2-CG 3.36Å; D869-C963 WeakPolarHBondContact OD1-CB 3.28Å; D869-C963 PolarHBondContact OD2-N 3.11Å
870G78.1Confident81.9Confident21 Ų2166.6 Ų66.622%0.21634%0.343CS..Hα-helixtrans-62-29.1179.800000113.7L868 S874L868-G870 PolarHBondContact O-N 3.41Å; G870-S874 PolarHBondContact O-N 3.4Å
871W82.4Confident81.4Confident159 Ų15970 Ų7060%0.60236%0.36SS*.Hα-helixtrans-75.8-40173.5-17775.2000111.7L868 D869 S874 M875L868-W871 PolarHBondContact O-N 3.09Å; L868-W871 VanDerWaalsContact O-N 3.15Å; D869-W871 PolarHBondContact O-N 3.32Å; W871-S874 PolarHBondContact O-N 3.22Å; W871-M875 HydrophobicContact CD2-CE 4.4Å; W871-M875 HydrophobicContact CH2-CE 4.44Å; W871-M875 HydrophobicContact CZ2-CE 3.59Å; W871-M875 WeakPolarHBondContact O-CG 3.45Å
872L81.8Confident81Confident36 Ų3665.9 Ų65.919%0.18834%0.343CS..Hα-helixtrans-67.3-36.1176.5-68.7170.1000112.2L868 D869 S874 M875 A885L868-L872 HydrophobicContact CB-CD1 4.14Å; L868-L872 WeakPolarHBondContact O-CG 3.02Å; L868-L872 PolarHBondContact O-N 3.03Å; D869-L872 CarbonylContact O-C 3.58Å; D869-L872 PolarHBondContact O-N 2.96Å; L872-S874 VanDerWaalsContact C-N 3.32Å; L872-S874 PolarHBondContact O-N 2.91Å; L872-M875 PolarHBondContact O-N 3.38Å; L872-A885 HydrophobicContact CD1-CB 3.75Å
873A75.1Confident80.7Confident3 Ų366.8 Ų66.83%0.02535%0.348CS..Hα-helixtrans-67-31.4176.300000112.8D869 M875 M961 C963D869-A873 WeakPolarHBondContact O-CB 3.42Å; D869-A873 PolarHBondContact O-N 3.45Å; A873-M875 VanDerWaalsContact C-N 3.27Å; A873-M875 PolarHBondContact O-N 2.82Å; A873-M961 VanDerWaalsContact CB-C 3.46Å; A873-M961 HydrophobicContact CB-CB 3.86Å; A873-M961 WeakPolarHBondContact CB-O 3.34Å; A873-C963 VanDerWaalsContact CA-SG 3.52Å; A873-C963 VanDerWaalsContact CB-SG 3.58Å
874S72.7Confident80.5Confident74 Ų7469.2 Ų69.252%0.51737%0.366SS..THydrogen-bonded Turntrans-73.2-16.1176.5-177.50000113.5G870 W871 L872 V876G870-S874 PolarHBondContact O-N 3.4Å; W871-S874 PolarHBondContact O-N 3.22Å; L872-S874 VanDerWaalsContact C-N 3.32Å; L872-S874 PolarHBondContact O-N 2.91Å; S874-V876 PolarHBondContact O-N 3.29Å; S874-V876 VanDerWaalsContact O-N 3.1Å
875M73.7Confident80.3Confident87 Ų8766.2 Ų66.243%0.42935%0.351SS..  trans-87.373.6-178.2-66.5-68.1173.400110.8W871 L872 A873 Y877 S878W871-M875 HydrophobicContact CD2-CE 4.4Å; W871-M875 HydrophobicContact CH2-CE 4.44Å; W871-M875 HydrophobicContact CZ2-CE 3.59Å; W871-M875 WeakPolarHBondContact O-CG 3.45Å; L872-M875 PolarHBondContact O-N 3.38Å; A873-M875 VanDerWaalsContact C-N 3.27Å; A873-M875 PolarHBondContact O-N 2.82Å; M875-Y877 PolarHBondContact O-N 2.9Å; M875-S878 PolarHBondContact O-N 3.33Å
876V57.7Low80.3Confident117 Ų11765.4 Ų65.471%0.70935%0.346SS*.THydrogen-bonded Turntrans-54.6-19.2-173.6179.50000114.5S874 S878S874-V876 PolarHBondContact O-N 3.29Å; S874-V876 VanDerWaalsContact O-N 3.1Å; V876-S878 PolarHBondContact O-N 3.46Å
877Y59.2Low80.4Confident239 Ų23964.4 Ų64.494%0.93734%0.344SS*.THydrogen-bonded Turntrans-81-4.4-175.8-93.5-87000116.3M875M875-Y877 PolarHBondContact O-N 2.9Å
878S67.2Low80.6Confident44 Ų4465.8 Ų65.831%0.30835%0.351SS..  trans-142.885.3176.656.10000113.4M875 V876 G880 L881M875-S878 PolarHBondContact O-N 3.33Å; V876-S878 PolarHBondContact O-N 3.46Å; S878-G880 PolarHBondContact O-N 3.43Å; S878-L881 PolarHBondContact O-N 3.05Å; S878-L881 VanDerWaalsContact OG-CD1 3.28Å; S878-L881 WeakPolarHBondContact OG-CD1 3.26Å; S878-L881 WeakPolarHBondContact OG-CG 3.37Å
879E72.6Confident80.7Confident156 Ų15662.1 Ų62.173%0.72933%0.332SS*.Hα-helixtrans-50.6-32.5174.3-66.2-172.815700112.8L881 C882 I883E879-L881 VanDerWaalsContact C-N 3.35Å; E879-L881 PolarHBondContact O-N 3.05Å; E879-C882 PolarHBondContact O-N 3.25Å; E879-I883 VanDerWaalsContact O-CG1 3.27Å; E879-I883 WeakPolarHBondContact O-CG1 3.46Å; E879-I883 PolarHBondContact O-N 2.84Å
880G81.1Confident81.1Confident45 Ų4562 Ų6246%0.46433%0.332SS..Hα-helixtrans-62.1-33.8177.200000114.7S878 S884S878-G880 PolarHBondContact O-N 3.43Å; G880-S884 WeakPolarHBondContact O-CB 3.34Å; G880-S884 PolarHBondContact O-N 2.99Å; G880-S884 PolarHBondContact O-OG 2.94Å
881L84.4Confident82Confident95 Ų9563.3 Ų63.350%0.49733%0.33SS..Hα-helixtrans-72.1-41177.5-71-175.5000111.3S878 E879 S884 A885S878-L881 PolarHBondContact O-N 3.05Å; S878-L881 VanDerWaalsContact OG-CD1 3.28Å; S878-L881 WeakPolarHBondContact OG-CD1 3.26Å; S878-L881 WeakPolarHBondContact OG-CG 3.37Å; E879-L881 VanDerWaalsContact C-N 3.35Å; E879-L881 PolarHBondContact O-N 3.05Å; L881-S884 PolarHBondContact O-N 2.99Å; L881-A885 WeakPolarHBondContact O-CB 3.41Å; L881-A885 PolarHBondContact O-N 3.33Å
882C85.8Confident82.7Confident5 Ų556.9 Ų56.93%0.03431%0.306CS..Hα-helixtrans-64.6-45.1176.5-1790000112E879 S884 A885 A886 V951 C963E879-C882 PolarHBondContact O-N 3.25Å; C882-S884 VanDerWaalsContact C-N 3.3Å; C882-S884 PolarHBondContact O-N 2.94Å; C882-A885 PolarHBondContact O-N 3.43Å; C882-A886 PolarHBondContact O-N 2.98Å; C882-V951 HydrophobicContact CB-CG2 4.36Å; C882-V951 WeakPolarHBondContact SG-CG2 3.36Å; C882-C963 WeakPolarHBondContact CA-SG 3.09Å; C882-C963 HydrophobicContact CB-CB 4.14Å; C882-C963 WeakPolarHBondContact CB-SG 3.48Å; C882-C963 WeakPolarHBondContact O-CB 3.35Å; C882-C963 WeakPolarHBondContact SG-CB 3.35Å; C882-C963 CovalentContact SG-SG 2.02Å; C882-C963 PolarHBondContact SG-SG 3.15Å
883I88.5Confident83.2Confident36 Ų3656 Ų5619%0.18530%0.302CS..Hα-helixtrans-59.7-43.4174.8-68.8166.2000110.3E879 A885 A886 V887E879-I883 VanDerWaalsContact O-CG1 3.27Å; E879-I883 WeakPolarHBondContact O-CG1 3.46Å; E879-I883 PolarHBondContact O-N 2.84Å; I883-A885 PolarHBondContact O-N 3.15Å; I883-A886 PolarHBondContact O-N 2.91Å; I883-V887 HydrophobicContact CG2-CG2 4.48Å; I883-V887 WeakPolarHBondContact O-CB 3.31Å; I883-V887 VanDerWaalsContact O-CG2 3.26Å; I883-V887 WeakPolarHBondContact O-CG2 3.49Å; I883-V887 PolarHBondContact O-N 3.22Å
884S89.5Confident84.1Confident63 Ų6355.9 Ų55.944%0.44130%0.301SS..Hα-helixtrans-63.5-41.1177.7-59.70000112.3G880 L881 C882 V887 L888G880-S884 WeakPolarHBondContact O-CB 3.34Å; G880-S884 PolarHBondContact O-N 2.99Å; G880-S884 PolarHBondContact O-OG 2.94Å; L881-S884 PolarHBondContact O-N 2.99Å; C882-S884 VanDerWaalsContact C-N 3.3Å; C882-S884 PolarHBondContact O-N 2.94Å; S884-V887 PolarHBondContact O-N 3.13Å; S884-L888 WeakPolarHBondContact O-CB 3.18Å; S884-L888 VanDerWaalsContact O-CG 3.29Å; S884-L888 WeakPolarHBondContact O-CG 3.43Å; S884-L888 PolarHBondContact O-N 2.89Å
885A89.3Confident85.2Confident4 Ų452.4 Ų52.43%0.03328%0.276CS..Hα-helixtrans-61.8-47.8175.800000111.6L872 L881 C882 I883 V887 L888 L889 C963L872-A885 HydrophobicContact CD1-CB 3.75Å; L881-A885 WeakPolarHBondContact O-CB 3.41Å; L881-A885 PolarHBondContact O-N 3.33Å; C882-A885 PolarHBondContact O-N 3.43Å; I883-A885 PolarHBondContact O-N 3.15Å; A885-V887 VanDerWaalsContact C-N 3.34Å; A885-V887 PolarHBondContact O-N 3.09Å; A885-L888 PolarHBondContact O-N 2.81Å; A885-L889 WeakPolarHBondContact O-CB 3.44Å; A885-L889 PolarHBondContact O-N 3.49Å; A885-C963 HydrophobicContact CB-CB 4.36Å
886A90.8Very high86.1Confident0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-61.1-41.3178.200000112.3C882 I883 L889 H890 Y949 C963C882-A886 PolarHBondContact O-N 2.98Å; I883-A886 PolarHBondContact O-N 2.91Å; A886-L889 PolarHBondContact O-N 2.88Å; A886-H890 WeakPolarHBondContact O-CB 3.14Å; A886-H890 PolarHBondContact O-N 3.04Å; A886-Y949 HydrophobicContact CB-CD1 3.87Å; A886-Y949 HydrophobicContact CB-CG 4.41Å; A886-C963 HydrophobicContact CB-CB 4.31Å
887V93.7Very high87.8Confident32 Ų3243.2 Ų43.219%0.19423%0.225CC..Hα-helixtrans-64.3-45.2175.6169.60000111.4I883 S884 A885 H890 Y891 V938 V942 Y949I883-V887 HydrophobicContact CG2-CG2 4.48Å; I883-V887 WeakPolarHBondContact O-CB 3.31Å; I883-V887 VanDerWaalsContact O-CG2 3.26Å; I883-V887 WeakPolarHBondContact O-CG2 3.49Å; I883-V887 PolarHBondContact O-N 3.22Å; S884-V887 PolarHBondContact O-N 3.13Å; A885-V887 VanDerWaalsContact C-N 3.34Å; A885-V887 PolarHBondContact O-N 3.09Å; V887-H890 PolarHBondContact O-N 3.38Å; V887-Y891 WeakPolarHBondContact O-CB 3.46Å; V887-Y891 PolarHBondContact O-N 3.45Å; V887-V938 HydrophobicContact CG1-CG1 3.78Å; V887-V942 HydrophobicContact CG1-CG2 4.14Å; V887-V942 HydrophobicContact CG2-CG2 3.79Å; V887-Y949 HydrophobicContact CG2-CD1 4.06Å; V887-Y949 HydrophobicContact CG2-CD2 3.71Å; V887-Y949 HydrophobicContact CG2-CE1 4.07Å; V887-Y949 HydrophobicContact CG2-CE2 3.74Å; V887-Y949 HydrophobicContact CG2-CG 3.88Å
888L93.9Very high89.5Confident77 Ų7732.1 Ų32.140%0.40318%0.182SC..Hα-helixtrans-65.1-40.7178-72.9174.1000111.7V865 S884 A885 Y891 F892V865-L888 HydrophobicContact CG1-CB 4.17Å; V865-L888 HydrophobicContact CG2-CB 4.32Å; S884-L888 WeakPolarHBondContact O-CB 3.18Å; S884-L888 VanDerWaalsContact O-CG 3.29Å; S884-L888 WeakPolarHBondContact O-CG 3.43Å; S884-L888 PolarHBondContact O-N 2.89Å; A885-L888 PolarHBondContact O-N 2.81Å; L888-Y891 PolarHBondContact O-N 2.78Å; L888-F892 HydrophobicContact CB-CD2 4.33Å; L888-F892 HydrophobicContact CB-CE2 4.26Å; L888-F892 HydrophobicContact CD2-CE2 4.01Å; L888-F892 WeakPolarHBondContact O-CD2 3.47Å; L888-F892 PolarHBondContact O-N 2.9Å
889L91.8Very high90.8Very high10 Ų1030 Ų305%0.05217%0.167CC..Hα-helixtrans-67.1-41.3179.6-154.7158.4000110.4L862 V865 F866 D869 A885 A886 L893 M962 W964L862-L889 HydrophobicContact CD1-CD2 4.05Å; L862-L889 HydrophobicContact CD1-CG 4.23Å; V865-L889 HydrophobicContact CG1-CB 3.9Å; V865-L889 HydrophobicContact CG1-CD1 4.24Å; V865-L889 HydrophobicContact CG1-CG 4.29Å; F866-L889 HydrophobicContact CB-CD1 4.11Å; F866-L889 HydrophobicContact CD2-CD1 4.19Å; D869-L889 HydrophobicContact CB-CD1 4.3Å; A885-L889 WeakPolarHBondContact O-CB 3.44Å; A885-L889 PolarHBondContact O-N 3.49Å; A886-L889 PolarHBondContact O-N 2.88Å; L889-L893 WeakPolarHBondContact O-CB 3.45Å; L889-L893 PolarHBondContact O-N 3.29Å; L889-M962 HydrophobicContact CD1-CE 4.26Å; L889-W964 HydrophobicContact CB-CE3 4.34Å; L889-W964 HydrophobicContact CB-CZ3 3.72Å; L889-W964 HydrophobicContact CD1-CZ3 4.44Å; L889-W964 HydrophobicContact CD2-CE3 3.83Å; L889-W964 HydrophobicContact CD2-CH2 3.53Å; L889-W964 HydrophobicContact CD2-CZ3 3.05Å; L889-W964 HydrophobicContact CG-CE3 4.43Å; L889-W964 HydrophobicContact CG-CZ3 3.83Å
890H94.4Very high91.7Very high0 Ų022.6 Ų22.60%013%0.132CC..Hα-helixtrans-60.6-47170.9-174.2-160.7000111.7A886 V887 L893 L894 Y949 I965 T974 C975A886-H890 WeakPolarHBondContact O-CB 3.14Å; A886-H890 PolarHBondContact O-N 3.04Å; V887-H890 PolarHBondContact O-N 3.38Å; H890-L893 PolarHBondContact O-N 3.31Å; H890-L894 WeakPolarHBondContact CD2-CD1 3.31Å; H890-L894 WeakPolarHBondContact O-CD1 3.37Å; H890-L894 PolarHBondContact O-N 3.14Å; H890-L894 VanDerWaalsContact O-N 3.11Å; H890-Y949 HydrophobicContact CB-CE1 4.19Å; H890-Y949 AromaticContact ND1-CE1 3.74Å; H890-Y949 AromaticContact ND1-CZ 3.75Å; H890-Y949 PolarHBondContact ND1-OH 3.42Å; H890-I965 HydrophobicContact CB-CD1 4.49Å; H890-T974 PolarHBondContact CE1-OG1 3.23Å; H890-T974 PolarHBondContact NE2-OG1 2.91Å; H890-T974 VanDerWaalsContact NE2-OG1 3.09Å; H890-C975 PolarHBondContact CD2-SG 3.42Å; H890-C975 PolarHBondContact NE2-SG 3.46Å; H890-C975 VanDerWaalsContact NE2-SG 3.37Å
891Y96.4Very high92.2Very high47 Ų4720.8 Ų20.818%0.18411%0.113CC..Hα-helixtrans-63.5-49.4-179.6174.5-112.1000113.7V887 L888 L893 L894 T895 W931 P934 A935V887-Y891 WeakPolarHBondContact O-CB 3.46Å; V887-Y891 PolarHBondContact O-N 3.45Å; L888-Y891 PolarHBondContact O-N 2.78Å; Y891-L893 VanDerWaalsContact C-N 3.29Å; Y891-L893 PolarHBondContact O-N 2.66Å; Y891-L894 PolarHBondContact O-N 3.31Å; Y891-T895 WeakPolarHBondContact O-CB 3.18Å; Y891-T895 PolarHBondContact O-N 2.82Å; Y891-T895 PolarHBondContact O-OG1 2.78Å; Y891-W931 HydrophobicContact CE1-CE3 4.21Å; Y891-W931 HydrophobicContact CE1-CZ3 4.3Å; Y891-W931 PolarHBondContact OH-O 3.25Å; Y891-P934 HydrophobicContact CD2-CB 3.88Å; Y891-P934 HydrophobicContact CE2-CB 3.84Å; Y891-A935 HydrophobicContact CD2-CB 4.48Å; Y891-A935 HydrophobicContact CE2-CB 3.68Å
892F96Very high92.5Very high24 Ų2417.1 Ų17.111%0.1059%0.094CC..Hα-helixtrans-70.8-25.9-179.9-69.7-60000112.5S858 F861 L862 V865 L888 S896 W931S858-F892 PolarHBondContact OG-O 3.1Å; F861-F892 HydrophobicContact CB-CD1 3.77Å; F861-F892 HydrophobicContact CB-CD2 3.85Å; F861-F892 HydrophobicContact CB-CE1 3.62Å; F861-F892 HydrophobicContact CB-CE2 3.71Å; F861-F892 HydrophobicContact CB-CG 3.9Å; F861-F892 HydrophobicContact CB-CZ 3.59Å; F861-F892 HydrophobicContact CD1-CZ 4.42Å; F861-F892 HydrophobicContact CD2-CE1 4.05Å; F861-F892 HydrophobicContact CD2-CZ 4.24Å; F861-F892 HydrophobicContact CG-CE1 4.01Å; F861-F892 HydrophobicContact CG-CE2 4.33Å; F861-F892 AromaticContact CG-CZ 3.86Å; F861-F892 HydrophobicContact CG-CZ 3.86Å; L862-F892 HydrophobicContact CB-CB 3.93Å; L862-F892 HydrophobicContact CD1-CB 4.24Å; V865-F892 HydrophobicContact CG2-CD2 4.3Å; V865-F892 HydrophobicContact CG2-CE2 4.36Å; L888-F892 HydrophobicContact CB-CD2 4.33Å; L888-F892 HydrophobicContact CB-CE2 4.26Å; L888-F892 HydrophobicContact CD2-CE2 4.01Å; L888-F892 WeakPolarHBondContact O-CD2 3.47Å; L888-F892 PolarHBondContact O-N 2.9Å; F892-S896 WeakPolarHBondContact O-CB 3.27Å; F892-S896 PolarHBondContact O-N 2.83Å; F892-S896 PolarHBondContact O-OG 2.94Å; F892-W931 HydrophobicContact CD1-CZ3 4.19Å; F892-W931 AromaticContact CE1-CZ3 3.98Å; F892-W931 HydrophobicContact CE1-CZ3 3.98Å
893L93Very high92.7Very high19 Ų1917.5 Ų17.510%0.09910%0.095CC..Hα-helixtrans-64.3-54171179.563.9000110.8L862 L889 H890 Y891 T895 S896 F897 W964 W1031L862-L893 HydrophobicContact CD1-CB 4.09Å; L862-L893 HydrophobicContact CD2-CD1 4.22Å; L889-L893 WeakPolarHBondContact O-CB 3.45Å; L889-L893 PolarHBondContact O-N 3.29Å; H890-L893 PolarHBondContact O-N 3.31Å; Y891-L893 VanDerWaalsContact C-N 3.29Å; Y891-L893 PolarHBondContact O-N 2.66Å; L893-T895 VanDerWaalsContact C-N 3.32Å; L893-T895 PolarHBondContact O-N 3.22Å; L893-S896 WeakPolarHBondContact O-CB 3.46Å; L893-S896 PolarHBondContact O-N 3.3Å; L893-F897 HydrophobicContact CD1-CE2 3.83Å; L893-F897 HydrophobicContact CD1-CZ 3.76Å; L893-F897 HydrophobicContact CD2-CE2 4.44Å; L893-F897 HydrophobicContact CG-CD2 4.46Å; L893-F897 HydrophobicContact CG-CE2 3.81Å; L893-F897 HydrophobicContact CG-CZ 4.27Å; L893-F897 PolarHBondContact O-N 2.89Å; L893-W964 HydrophobicContact CD2-CH2 3.99Å; L893-W964 HydrophobicContact CD2-CZ2 4.31Å; L893-W1031 HydrophobicContact CD1-CH2 3.31Å; L893-W1031 HydrophobicContact CD1-CZ2 4.09Å; L893-W1031 HydrophobicContact CD1-CZ3 3.8Å
894L94.4Very high92.6Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans-60.6-44178.1-90.462.6000111.1H890 Y891 S896 F897 T898 P934 L937 V938 Y978H890-L894 WeakPolarHBondContact CD2-CD1 3.31Å; H890-L894 WeakPolarHBondContact O-CD1 3.37Å; H890-L894 PolarHBondContact O-N 3.14Å; H890-L894 VanDerWaalsContact O-N 3.11Å; Y891-L894 PolarHBondContact O-N 3.31Å; L894-S896 VanDerWaalsContact C-N 3.26Å; L894-S896 PolarHBondContact O-N 3.46Å; L894-F897 WeakPolarHBondContact O-CB 3.42Å; L894-F897 PolarHBondContact O-N 3.35Å; L894-F897 VanDerWaalsContact O-N 3.09Å; L894-T898 PolarHBondContact O-N 3.42Å; L894-T898 PolarHBondContact O-OG1 3.23Å; L894-P934 HydrophobicContact CB-CB 3.83Å; L894-P934 HydrophobicContact CB-CG 4.19Å; L894-L937 HydrophobicContact CD2-CB 4.36Å; L894-L937 HydrophobicContact CD2-CD1 4.23Å; L894-V938 HydrophobicContact CD2-CG2 4.43Å; L894-Y978 HydrophobicContact CB-CE1 4.32Å; L894-Y978 HydrophobicContact CD2-CD1 4.46Å; L894-Y978 HydrophobicContact CD2-CG 4.45Å; L894-Y978 HydrophobicContact CG-CD1 3.89Å; L894-Y978 HydrophobicContact CG-CE1 4.14Å; L894-Y978 HydrophobicContact CG-CG 4.31Å
895T95.4Very high92.5Very high0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-60.6-36.9178.7-54.40000112.4S858 Y891 L893 T898 W899 G930 W931 P934S858-T895 WeakPolarHBondContact OG-CB 3.49Å; Y891-T895 WeakPolarHBondContact O-CB 3.18Å; Y891-T895 PolarHBondContact O-N 2.82Å; Y891-T895 PolarHBondContact O-OG1 2.78Å; L893-T895 VanDerWaalsContact C-N 3.32Å; L893-T895 PolarHBondContact O-N 3.22Å; T895-T898 PolarHBondContact O-N 3.09Å; T895-W899 VanDerWaalsContact CG2-CD1 3.47Å; T895-W899 PolarHBondContact O-N 3.25Å; T895-G930 WeakPolarHBondContact CG2-O 3.41Å; T895-W931 HydrophobicContact CG2-CD2 3.94Å; T895-W931 HydrophobicContact CG2-CE3 3.43Å; T895-W931 VanDerWaalsContact CG2-CE3 3.43Å; T895-W931 HydrophobicContact CG2-CH2 4Å; T895-W931 HydrophobicContact CG2-CZ2 4.44Å; T895-W931 HydrophobicContact CG2-CZ3 3.46Å; T895-W931 VanDerWaalsContact CG2-CZ3 3.46Å; T895-P934 WeakPolarHBondContact OG1-CB 3.34Å
896S93Very high92.4Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-64.2-43.2175.2-58.60000110.9S858 F892 L893 L894 W899 M900S858-S896 PolarHBondContact OG-N 3.45Å; S858-S896 VanDerWaalsContact OG-N 3.13Å; S858-S896 PolarHBondContact OG-OG 2.76Å; F892-S896 WeakPolarHBondContact O-CB 3.27Å; F892-S896 PolarHBondContact O-N 2.83Å; F892-S896 PolarHBondContact O-OG 2.94Å; L893-S896 WeakPolarHBondContact O-CB 3.46Å; L893-S896 PolarHBondContact O-N 3.3Å; L894-S896 VanDerWaalsContact C-N 3.26Å; L894-S896 PolarHBondContact O-N 3.46Å; S896-W899 PolarHBondContact O-N 3.14Å; S896-M900 VanDerWaalsContact O-CG 3.26Å; S896-M900 WeakPolarHBondContact O-CG 3.46Å; S896-M900 PolarHBondContact O-N 3.47Å
897F93.3Very high92Very high12 Ų1218.2 Ų18.25%0.05310%0.095CC..Hα-helixtrans-63.2-42.9173.6-63.7-38.7000112.9L893 L894 W899 M900 G901 Y978 F979 M982 W1031L893-F897 HydrophobicContact CD1-CE2 3.83Å; L893-F897 HydrophobicContact CD1-CZ 3.76Å; L893-F897 HydrophobicContact CD2-CE2 4.44Å; L893-F897 HydrophobicContact CG-CD2 4.46Å; L893-F897 HydrophobicContact CG-CE2 3.81Å; L893-F897 HydrophobicContact CG-CZ 4.27Å; L893-F897 PolarHBondContact O-N 2.89Å; L894-F897 WeakPolarHBondContact O-CB 3.42Å; L894-F897 PolarHBondContact O-N 3.35Å; L894-F897 VanDerWaalsContact O-N 3.09Å; F897-W899 VanDerWaalsContact C-N 3.34Å; F897-W899 PolarHBondContact O-N 3.37Å; F897-M900 PolarHBondContact O-N 3.33Å; F897-G901 PolarHBondContact O-N 3.22Å; F897-Y978 HydrophobicContact CB-CE1 4.36Å; F897-F979 HydrophobicContact CD1-CD2 4.11Å; F897-F979 HydrophobicContact CD2-CB 4.4Å; F897-F979 HydrophobicContact CD2-CD2 4.35Å; F897-F979 AromaticContact CE1-CD2 3.64Å; F897-F979 HydrophobicContact CE1-CD2 3.64Å; F897-F979 HydrophobicContact CE1-CE2 4.03Å; F897-F979 HydrophobicContact CE2-CB 4.02Å; F897-F979 AromaticContact CE2-CD2 3.9Å; F897-F979 HydrophobicContact CE2-CD2 3.9Å; F897-F979 HydrophobicContact CE2-CG 4.37Å; F897-F979 HydrophobicContact CG-CD2 4.45Å; F897-F979 HydrophobicContact CZ-CB 4.43Å; F897-F979 AromaticContact CZ-CD2 3.53Å; F897-F979 HydrophobicContact CZ-CD2 3.53Å; F897-F979 HydrophobicContact CZ-CE2 4.23Å; F897-F979 HydrophobicContact CZ-CG 4.29Å; F897-M982 HydrophobicContact CB-CB 4.39Å; F897-M982 HydrophobicContact CB-CG 4.43Å; F897-W1031 AromaticContact CE1-CD2 3.49Å; F897-W1031 HydrophobicContact CE1-CD2 3.49Å; F897-W1031 VanDerWaalsContact CE1-CD2 3.49Å; F897-W1031 AromaticContact CE1-CE2 3.69Å; F897-W1031 AromaticContact CE1-CE3 3.7Å; F897-W1031 HydrophobicContact CE1-CE3 3.7Å; F897-W1031 AromaticContact CE1-CG 3.89Å; F897-W1031 HydrophobicContact CE1-CG 3.89Å; F897-W1031 HydrophobicContact CE1-CH2 4.27Å; F897-W1031 HydrophobicContact CE1-CZ2 4.06Å; F897-W1031 HydrophobicContact CE1-CZ3 4.1Å; F897-W1031 AromaticContact CZ-CD2 3.85Å; F897-W1031 HydrophobicContact CZ-CD2 3.85Å; F897-W1031 AromaticContact CZ-CE3 3.51Å; F897-W1031 HydrophobicContact CZ-CE3 3.51Å; F897-W1031 HydrophobicContact CZ-CH2 4.04Å; F897-W1031 HydrophobicContact CZ-CZ2 4.3Å; F897-W1031 AromaticContact CZ-CZ3 3.64Å; F897-W1031 HydrophobicContact CZ-CZ3 3.64Å
898T94.5Very high91.5Very high5 Ų521.3 Ų21.33%0.03110%0.104CC..Hα-helixtrans-63.9-40179.2-34.30000111.3L894 T895 G901 L902 V929 L933 P934 Y978L894-T898 PolarHBondContact O-N 3.42Å; L894-T898 PolarHBondContact O-OG1 3.23Å; T895-T898 PolarHBondContact O-N 3.09Å; T898-G901 PolarHBondContact O-N 3.33Å; T898-L902 WeakPolarHBondContact O-CB 3.28Å; T898-L902 VanDerWaalsContact O-CG 3.31Å; T898-L902 WeakPolarHBondContact O-CG 3.41Å; T898-L902 PolarHBondContact O-N 2.89Å; T898-V929 HydrophobicContact CG2-CG1 4.45Å; T898-L933 HydrophobicContact CG2-CD2 4.41Å; T898-P934 WeakPolarHBondContact OG1-CG 3.33Å; T898-Y978 PolarHBondContact OG1-OH 2.86Å
899W94.8Very high91Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-69.8-35.9176.4-81.4114.1000113.3I851 N854 L855 T895 S896 F897 G901 L902 E903 F926 W931I851-W899 HydrophobicContact CG1-CZ3 4.47Å; I851-W899 HydrophobicContact CG2-CE3 3.92Å; I851-W899 HydrophobicContact CG2-CZ3 4.13Å; N854-W899 HydrophobicContact CB-CD2 3.76Å; N854-W899 VanDerWaalsContact CB-CE2 3.47Å; N854-W899 HydrophobicContact CB-CE3 3.98Å; N854-W899 HydrophobicContact CB-CG 4.48Å; N854-W899 HydrophobicContact CB-CH2 3.67Å; N854-W899 HydrophobicContact CB-CZ2 3.44Å; N854-W899 VanDerWaalsContact CB-CZ2 3.44Å; N854-W899 HydrophobicContact CB-CZ3 3.94Å; L855-W899 HydrophobicContact CB-CB 4.08Å; L855-W899 HydrophobicContact CD1-CB 3.81Å; T895-W899 VanDerWaalsContact CG2-CD1 3.47Å; T895-W899 PolarHBondContact O-N 3.25Å; S896-W899 PolarHBondContact O-N 3.14Å; F897-W899 VanDerWaalsContact C-N 3.34Å; F897-W899 PolarHBondContact O-N 3.37Å; W899-G901 VanDerWaalsContact C-N 3.32Å; W899-L902 HydrophobicContact CD2-CD1 4.39Å; W899-L902 HydrophobicContact CE3-CB 4.3Å; W899-L902 HydrophobicContact CE3-CD1 3.97Å; W899-L902 HydrophobicContact CZ3-CD1 4.07Å; W899-L902 PolarHBondContact O-N 2.89Å; W899-E903 PolarHBondContact O-N 2.95Å; W899-F926 HydrophobicContact CH2-CB 4.43Å; W899-F926 HydrophobicContact CZ3-CB 4.35Å; W899-W931 AromaticContact CE2-NE1 3.75Å; W899-W931 AromaticContact CZ2-CD1 3.63Å; W899-W931 AromaticContact CZ2-NE1 3.42Å; W899-W931 AromaticContact NE1-CD1 3.94Å; W899-W931 AromaticContact NE1-CD2 3.98Å; W899-W931 AromaticContact NE1-CE2 3.52Å; W899-W931 AromaticContact NE1-CZ2 3.87Å; W899-W931 AromaticContact NE1-NE1 3.51Å
900M91.9Very high90.3Very high1 Ų121.5 Ų21.51%0.00511%0.112CC..Hα-helixtrans-62.9-41.1170-67.4172.1-152.500111.1L855 L859 S896 F897 E903 S904 G1028L855-M900 HydrophobicContact CD1-CE 4.02Å; L855-M900 HydrophobicContact CD1-CG 3.73Å; L855-M900 HydrophobicContact CD2-CG 4.28Å; L859-M900 HydrophobicContact CD2-CE 4.04Å; S896-M900 VanDerWaalsContact O-CG 3.26Å; S896-M900 WeakPolarHBondContact O-CG 3.46Å; S896-M900 PolarHBondContact O-N 3.47Å; F897-M900 PolarHBondContact O-N 3.33Å; M900-E903 PolarHBondContact O-N 2.96Å; M900-S904 PolarHBondContact O-N 3.45Å; M900-S904 VanDerWaalsContact O-N 3.09Å; M900-G1028 VanDerWaalsContact SD-CA 3.57Å
901G91.2Very high89.4Confident6 Ų624 Ų246%0.06213%0.125CC..Hα-helixtrans-59.3-47.2171.500000113.7F897 T898 W899 E903 S904 V905 N986F897-G901 PolarHBondContact O-N 3.22Å; T898-G901 PolarHBondContact O-N 3.33Å; W899-G901 VanDerWaalsContact C-N 3.32Å; G901-E903 VanDerWaalsContact C-N 3.32Å; G901-E903 PolarHBondContact O-N 3.34Å; G901-S904 PolarHBondContact O-N 2.97Å; G901-S904 PolarHBondContact O-OG 3.47Å; G901-V905 WeakPolarHBondContact O-CG2 3.41Å; G901-V905 PolarHBondContact O-N 3.49Å; G901-N986 VanDerWaalsContact CA-OD1 3.27Å; G901-N986 WeakPolarHBondContact CA-OD1 3.31Å
902L91.7Very high88.3Confident18 Ų1824.3 Ų24.39%0.09413%0.132CC..Hα-helixtrans-66.7-34.2178.7-73174.1000112.2T898 W899 V905 H906 F926 V929T898-L902 WeakPolarHBondContact O-CB 3.28Å; T898-L902 VanDerWaalsContact O-CG 3.31Å; T898-L902 WeakPolarHBondContact O-CG 3.41Å; T898-L902 PolarHBondContact O-N 2.89Å; W899-L902 HydrophobicContact CD2-CD1 4.39Å; W899-L902 HydrophobicContact CE3-CB 4.3Å; W899-L902 HydrophobicContact CE3-CD1 3.97Å; W899-L902 HydrophobicContact CZ3-CD1 4.07Å; W899-L902 PolarHBondContact O-N 2.89Å; L902-V905 PolarHBondContact O-N 3.21Å; L902-H906 WeakPolarHBondContact O-CB 3.34Å; L902-H906 PolarHBondContact O-N 2.88Å; L902-F926 HydrophobicContact CB-CD1 3.86Å; L902-F926 HydrophobicContact CB-CE1 4Å; L902-F926 HydrophobicContact CD1-CB 4.43Å; L902-F926 HydrophobicContact CD1-CD1 4.31Å; L902-F926 WeakPolarHBondContact CD1-O 3.43Å; L902-F926 HydrophobicContact CD2-CD1 3.95Å; L902-F926 HydrophobicContact CD2-CE1 3.98Å; L902-F926 HydrophobicContact CD2-CG 4.33Å; L902-F926 HydrophobicContact CD2-CZ 4.38Å; L902-F926 HydrophobicContact CG-CD1 4.26Å; L902-F926 WeakPolarHBondContact O-CE1 3.21Å; L902-V929 HydrophobicContact CD1-CB 4.44Å; L902-V929 HydrophobicContact CD1-CG1 4.43Å; L902-V929 HydrophobicContact CD2-CG1 4.17Å
903E88.4Confident87.1Confident13 Ų1328.5 Ų28.56%0.06115%0.15CC..Hα-helixtrans-64.6-39.8172.1-175.763.3-175.500111.3I851 W899 M900 G901 V905 H906 M907 L1026 L1027I851-E903 WeakPolarHBondContact CB-OE2 3.19Å; I851-E903 HydrophobicContact CG2-CB 4.03Å; I851-E903 WeakPolarHBondContact CG2-OE2 3.25Å; W899-E903 PolarHBondContact O-N 2.95Å; M900-E903 PolarHBondContact O-N 2.96Å; G901-E903 VanDerWaalsContact C-N 3.32Å; G901-E903 PolarHBondContact O-N 3.34Å; E903-V905 PolarHBondContact O-N 3.42Å; E903-H906 WeakPolarHBondContact O-CB 3.22Å; E903-H906 PolarHBondContact O-N 3.11Å; E903-H906 VanDerWaalsContact O-N 3.16Å; E903-H906 IonicContact OE2-CD2 3.47Å; E903-M907 WeakPolarHBondContact O-CG 3.15Å; E903-M907 PolarHBondContact O-N 3.4Å; E903-L1026 HydrophobicContact CG-CD1 4.37Å; E903-L1026 HydrophobicContact CG-CD2 3.87Å; E903-L1026 HydrophobicContact CG-CG 3.97Å; E903-L1027 HydrophobicContact CG-CD2 4.42Å
904S87.4Confident85.8Confident1 Ų131.9 Ų31.91%0.00717%0.171CC..Hα-helixtrans-63.9-40.7176.485.30000112.3M900 G901 M907 Y908 N986M900-S904 PolarHBondContact O-N 3.45Å; M900-S904 VanDerWaalsContact O-N 3.09Å; G901-S904 PolarHBondContact O-N 2.97Å; G901-S904 PolarHBondContact O-OG 3.47Å; S904-M907 PolarHBondContact O-N 3.42Å; S904-Y908 PolarHBondContact O-N 3.38Å; S904-N986 VanDerWaalsContact CB-OD1 3.26Å; S904-N986 WeakPolarHBondContact CB-OD1 2.94Å; S904-N986 PolarHBondContact OG-OD1 2.96Å
905V87.8Confident83.5Confident58 Ų5840.9 Ų40.935%0.35221%0.211SC..Hα-helixtrans-65.7-37.3172.3174.90000111.6G901 L902 E903 Y908 I909 F926G901-V905 WeakPolarHBondContact O-CG2 3.41Å; G901-V905 PolarHBondContact O-N 3.49Å; L902-V905 PolarHBondContact O-N 3.21Å; E903-V905 PolarHBondContact O-N 3.42Å; V905-Y908 WeakPolarHBondContact O-CB 3.29Å; V905-Y908 PolarHBondContact O-N 3.5Å; V905-I909 HydrophobicContact CG1-CD1 4.03Å; V905-I909 WeakPolarHBondContact O-CG1 3.3Å; V905-I909 PolarHBondContact O-N 2.97Å; V905-I909 VanDerWaalsContact O-N 3.12Å; V905-F926 HydrophobicContact CG1-CZ 4.33Å
906H86.5Confident81.6Confident22 Ų2248.9 Ų48.910%0.10225%0.254CS..Hα-helixtrans-63-46.1174.8179.653.4000111.3P848 I851 L902 E903 Y908 I909 A910 Y922 F926P848-H906 WeakPolarHBondContact CD-NE2 3.32Å; P848-H906 WeakPolarHBondContact CG-NE2 3.41Å; I851-H906 HydrophobicContact CD1-CB 3.64Å; L902-H906 WeakPolarHBondContact O-CB 3.34Å; L902-H906 PolarHBondContact O-N 2.88Å; E903-H906 WeakPolarHBondContact O-CB 3.22Å; E903-H906 PolarHBondContact O-N 3.11Å; E903-H906 VanDerWaalsContact O-N 3.16Å; E903-H906 IonicContact OE2-CD2 3.47Å; H906-Y908 VanDerWaalsContact C-N 3.3Å; H906-Y908 PolarHBondContact O-N 2.96Å; H906-I909 PolarHBondContact O-N 3.18Å; H906-A910 WeakPolarHBondContact O-CB 3.26Å; H906-A910 PolarHBondContact O-N 3.32Å; H906-Y922 AromaticContact ND1-CE1 3.74Å; H906-Y922 AromaticContact ND1-CZ 3.72Å; H906-Y922 PolarHBondContact ND1-OH 3.39Å; H906-F926 HydrophobicContact CB-CE1 4.36Å
907M82.6Confident80.1Confident38 Ų3851.5 Ų51.519%0.18727%0.27CS..Hα-helixtrans-59.6-40175.8-65.4-149.583.800112E903 S904 A910 L911 V993 L1023E903-M907 WeakPolarHBondContact O-CG 3.15Å; E903-M907 PolarHBondContact O-N 3.4Å; S904-M907 PolarHBondContact O-N 3.42Å; M907-A910 PolarHBondContact O-N 3.19Å; M907-L911 HydrophobicContact CE-CD1 4.11Å; M907-L911 WeakPolarHBondContact O-CB 3.18Å; M907-L911 WeakPolarHBondContact O-CG 3.48Å; M907-L911 PolarHBondContact O-N 3.45Å; M907-V993 HydrophobicContact CB-CG2 4.04Å; M907-V993 HydrophobicContact CE-CG1 4.31Å; M907-L1023 HydrophobicContact CE-CD2 3.76Å; M907-L1023 HydrophobicContact SD-CD2 3.39Å; M907-L1023 WeakPolarHBondContact SD-CD2 3.31Å
908Y84Confident79Confident96 Ų9660.3 Ų60.338%0.37630%0.304SS..Hα-helixtrans-57.9-51.3174.6179.2-119.3000113.1S904 V905 H906 A910 L911 V912 K913 M989S904-Y908 PolarHBondContact O-N 3.38Å; V905-Y908 WeakPolarHBondContact O-CB 3.29Å; V905-Y908 PolarHBondContact O-N 3.5Å; H906-Y908 VanDerWaalsContact C-N 3.3Å; H906-Y908 PolarHBondContact O-N 2.96Å; Y908-A910 VanDerWaalsContact C-N 3.25Å; Y908-A910 PolarHBondContact O-N 2.66Å; Y908-L911 PolarHBondContact O-N 2.83Å; Y908-V912 HydrophobicContact CD2-CB 3.64Å; Y908-V912 HydrophobicContact CD2-CG1 4.24Å; Y908-V912 HydrophobicContact CD2-CG2 3.46Å; Y908-V912 VanDerWaalsContact CD2-CG2 3.46Å; Y908-V912 HydrophobicContact CE2-CB 3.55Å; Y908-V912 HydrophobicContact CE2-CG1 3.62Å; Y908-V912 HydrophobicContact CE2-CG2 3.66Å; Y908-V912 WeakPolarHBondContact O-CA 3.38Å; Y908-V912 WeakPolarHBondContact O-CB 3.19Å; Y908-V912 PolarHBondContact O-N 3Å; Y908-K913 PolarHBondContact O-N 3.09Å; Y908-M989 HydrophobicContact CD2-CE 3.27Å; Y908-M989 HydrophobicContact CE2-CE 4.17Å; Y908-M989 HydrophobicContact CG-CE 3.51Å
909I82.5Confident78.1Confident37 Ų3762.7 Ų62.719%0.1932%0.316CS..Hα-helixtrans-64.7-37-177.9-64.5167.6000109.7V905 H906 K913 I919 Y922V905-I909 HydrophobicContact CG1-CD1 4.03Å; V905-I909 WeakPolarHBondContact O-CG1 3.3Å; V905-I909 PolarHBondContact O-N 2.97Å; V905-I909 VanDerWaalsContact O-N 3.12Å; H906-I909 PolarHBondContact O-N 3.18Å; I909-K913 CarbonylContact O-C 3.5Å; I909-I919 HydrophobicContact CD1-CD1 4.41Å; I909-Y922 HydrophobicContact CD1-CE2 4.48Å
910A77.3Confident77.3Confident55 Ų5571.3 Ų71.346%0.45535%0.349SS..Hα-helixtrans-73.9-31.5-179.100000114.3H906 M907 Y908H906-A910 WeakPolarHBondContact O-CB 3.26Å; H906-A910 PolarHBondContact O-N 3.32Å; M907-A910 PolarHBondContact O-N 3.19Å; Y908-A910 VanDerWaalsContact C-N 3.25Å; Y908-A910 PolarHBondContact O-N 2.66Å
911L74.8Confident77Confident51 Ų5179.4 Ų79.427%0.26738%0.379SS..Hα-helixtrans-109.9-32-172.3-63.3175.4000114.6M907 Y908 V914 V993 Q996M907-L911 HydrophobicContact CE-CD1 4.11Å; M907-L911 WeakPolarHBondContact O-CB 3.18Å; M907-L911 WeakPolarHBondContact O-CG 3.48Å; M907-L911 PolarHBondContact O-N 3.45Å; Y908-L911 PolarHBondContact O-N 2.83Å; L911-V914 VanDerWaalsContact C-CG2 3.46Å; L911-V914 WeakPolarHBondContact O-CG2 3.35Å; L911-V993 HydrophobicContact CD1-CB 4.49Å; L911-V993 HydrophobicContact CD1-CG1 3.81Å; L911-V993 HydrophobicContact CD1-CG2 4.14Å; L911-Q996 VanDerWaalsContact C-OE1 3.26Å; L911-Q996 PolarHBondContact O-NE2 3.46Å; L911-Q996 PolarHBondContact O-OE1 3.48Å
912V73.9Confident76.7Confident54 Ų5479.9 Ų79.933%0.32738%0.379SS..THydrogen-bonded Turntrans-98-50.2179.8-174.70000111.2Y908 V914 V992 Q996Y908-V912 HydrophobicContact CD2-CB 3.64Å; Y908-V912 HydrophobicContact CD2-CG1 4.24Å; Y908-V912 HydrophobicContact CD2-CG2 3.46Å; Y908-V912 VanDerWaalsContact CD2-CG2 3.46Å; Y908-V912 HydrophobicContact CE2-CB 3.55Å; Y908-V912 HydrophobicContact CE2-CG1 3.62Å; Y908-V912 HydrophobicContact CE2-CG2 3.66Å; Y908-V912 WeakPolarHBondContact O-CA 3.38Å; Y908-V912 WeakPolarHBondContact O-CB 3.19Å; Y908-V912 PolarHBondContact O-N 3Å; V912-V914 VanDerWaalsContact C-N 3.27Å; V912-V914 PolarHBondContact O-N 3.13Å; V912-V914 VanDerWaalsContact O-N 3.11Å; V912-V992 HydrophobicContact CG2-CG1 3.47Å; V912-V992 VanDerWaalsContact CG2-CG1 3.47Å; V912-Q996 VanDerWaalsContact CA-NE2 3.34Å; V912-Q996 VanDerWaalsContact CG2-CD 3.42Å; V912-Q996 VanDerWaalsContact CG2-NE2 3.28Å; V912-Q996 VanDerWaalsContact CG2-OE1 3.22Å
913K70.1Confident76.4Confident112 Ų11281 Ų8149%0.48739%0.385SS..  trans-9254.6-175.8-158173.1-179.2176.40111.5Y908 I909 F915 T917Y908-K913 PolarHBondContact O-N 3.09Å; I909-K913 CarbonylContact O-C 3.5Å; K913-F915 VanDerWaalsContact C-N 3.28Å; K913-F915 PolarHBondContact O-N 2.94Å; K913-T917 HydrophobicContact CD-CG2 3.87Å; K913-T917 HydrophobicContact CG-CG2 4.31Å; K913-T917 PolarHBondContact O-OG1 3.41Å; K913-T917 VanDerWaalsContact O-OG1 3.11Å
914V65.4Low76.5Confident90 Ų9084.6 Ų84.655%0.54540%0.404SS..  trans-74-13.8-168.1-1700000113.4L911 V912L911-V914 VanDerWaalsContact C-CG2 3.46Å; L911-V914 WeakPolarHBondContact O-CG2 3.35Å; V912-V914 VanDerWaalsContact C-N 3.27Å; V912-V914 PolarHBondContact O-N 3.13Å; V912-V914 VanDerWaalsContact O-N 3.11Å
915F47.4Very low76.6Confident190 Ų19090.2 Ų90.283%0.83343%0.428SS*.SBendtrans-107.7118.6179.9-62.6-73.6000112.5K913K913-F915 VanDerWaalsContact C-N 3.28Å; K913-F915 PolarHBondContact O-N 2.94Å
916N54.3Low76.9Confident168 Ų16888.4 Ų88.490%0.89842%0.416SS*.SBendtrans68.539.6162-134.312.6000118.6
917T62.4Low77.1Confident55 Ų5589.1 Ų89.134%0.33742%0.423SS..  trans-113.279.2172.417.20000113K913K913-T917 HydrophobicContact CD-CG2 3.87Å; K913-T917 HydrophobicContact CG-CG2 4.31Å; K913-T917 PolarHBondContact O-OG1 3.41Å; K913-T917 VanDerWaalsContact O-OG1 3.11Å
918Y69.4Low77.7Confident196 Ų19692.6 Ų92.677%0.76944%0.441SS*.  trans-86.7112.6166.3-179.6-94.6000110.3R920Y918-R920 HydrophobicContact CE1-CB 4.28Å
919I75.8Confident78.2Confident55 Ų5591.2 Ų91.228%0.28244%0.443SS..  trans-101.5110.3177.1-57.9170.5000109.1I909 R921 Y922 K925I909-I919 HydrophobicContact CD1-CD1 4.41Å; I919-R921 PolarHBondContact O-N 2.82Å; I919-Y922 HydrophobicContact CB-CD2 3.79Å; I919-Y922 HydrophobicContact CB-CG 4.47Å; I919-Y922 HydrophobicContact CD1-CD2 3.74Å; I919-Y922 HydrophobicContact CD1-CE2 3.79Å; I919-Y922 HydrophobicContact CG1-CD2 4.33Å; I919-Y922 HydrophobicContact CG2-CD2 3.93Å; I919-Y922 WeakPolarHBondContact O-CB 3.47Å; I919-Y922 PolarHBondContact O-N 3.03Å; I919-K925 HydrophobicContact CG2-CD 4.35Å
920R79.1Confident78.7Confident181 Ų18189.5 Ų89.568%0.68343%0.434SS*.THydrogen-bonded Turntrans-61133.1175.5-170.6178.7-177.9-171.71.1110.3Y918 Y922Y918-R920 HydrophobicContact CE1-CB 4.28Å; R920-Y922 VanDerWaalsContact C-N 3.29Å; R920-Y922 PolarHBondContact O-N 3.09Å
921R84Confident79.6Confident171 Ų17189.6 Ų89.665%0.64542%0.422SS*.THydrogen-bonded Turntrans52.643.5-177.1-62.9179.7-177.4173.20.4113I919 I923 L924 K925I919-R921 PolarHBondContact O-N 2.82Å; R921-I923 PolarHBondContact O-N 3.43Å; R921-L924 HydrophobicContact CB-CB 4.24Å; R921-L924 HydrophobicContact CB-CD2 4.45Å; R921-L924 PolarHBondContact O-N 3.23Å; R921-K925 PolarHBondContact O-N 3.27Å
922Y85.3Confident80.6Confident16 Ų1688.5 Ų88.56%0.06342%0.424CS..Hα-helixtrans-48.5-54.6-176.6-178-115.3000114.3Y847 H906 I909 I919 R920 L924 K925 F926Y847-Y922 AromaticContact CD1-CD1 3.67Å; Y847-Y922 HydrophobicContact CD1-CD1 3.67Å; Y847-Y922 HydrophobicContact CD1-CE1 4.37Å; Y847-Y922 AromaticContact CE1-CD1 3.93Å; Y847-Y922 HydrophobicContact CE1-CD1 3.93Å; Y847-Y922 AromaticContact CG-CD1 3.99Å; Y847-Y922 HydrophobicContact CG-CD1 3.99Å; Y847-Y922 HydrophobicContact CG-CE1 4.34Å; H906-Y922 AromaticContact ND1-CE1 3.74Å; H906-Y922 AromaticContact ND1-CZ 3.72Å; H906-Y922 PolarHBondContact ND1-OH 3.39Å; I909-Y922 HydrophobicContact CD1-CE2 4.48Å; I919-Y922 HydrophobicContact CB-CD2 3.79Å; I919-Y922 HydrophobicContact CB-CG 4.47Å; I919-Y922 HydrophobicContact CD1-CD2 3.74Å; I919-Y922 HydrophobicContact CD1-CE2 3.79Å; I919-Y922 HydrophobicContact CG1-CD2 4.33Å; I919-Y922 HydrophobicContact CG2-CD2 3.93Å; I919-Y922 WeakPolarHBondContact O-CB 3.47Å; I919-Y922 PolarHBondContact O-N 3.03Å; R920-Y922 VanDerWaalsContact C-N 3.29Å; R920-Y922 PolarHBondContact O-N 3.09Å; Y922-L924 VanDerWaalsContact C-N 3.33Å; Y922-L924 PolarHBondContact O-N 2.93Å; Y922-K925 PolarHBondContact O-N 3.25Å; Y922-F926 HydrophobicContact CD2-CD2 4.18Å; Y922-F926 AromaticContact CD2-CE2 3.87Å; Y922-F926 HydrophobicContact CD2-CE2 3.87Å; Y922-F926 HydrophobicContact CE1-CE2 4.47Å; Y922-F926 HydrophobicContact CE1-CZ 4.41Å; Y922-F926 AromaticContact CE2-CD2 3.91Å; Y922-F926 HydrophobicContact CE2-CD2 3.91Å; Y922-F926 HydrophobicContact CE2-CE1 4.37Å; Y922-F926 AromaticContact CE2-CE2 3.23Å; Y922-F926 HydrophobicContact CE2-CE2 3.23Å; Y922-F926 AromaticContact CE2-CZ 3.53Å; Y922-F926 HydrophobicContact CE2-CZ 3.53Å; Y922-F926 AromaticContact CZ-CE1 3.88Å; Y922-F926 AromaticContact CZ-CE2 3.59Å; Y922-F926 AromaticContact CZ-CZ 3.44Å; Y922-F926 VanDerWaalsContact CZ-CZ 3.44Å; Y922-F926 WeakPolarHBondContact O-CD2 3.4Å; Y922-F926 PolarHBondContact O-N 3.43Å; Y922-F926 WeakPolarHBondContact OH-CE1 3.38Å; Y922-F926 WeakPolarHBondContact OH-CZ 3.43Å
923I86.9Confident81.6Confident41 Ų4189.5 Ų89.521%0.2143%0.427CS..Hα-helixtrans-65.4-33.7-176.7-168.861.9000113.1K850 I851 R921 K925 F926 C927K850-I923 HydrophobicContact CB-CD1 3.79Å; K850-I923 HydrophobicContact CB-CG1 4.16Å; K850-I923 HydrophobicContact CD-CG1 4.19Å; I851-I923 HydrophobicContact CG1-CD1 4.21Å; R921-I923 PolarHBondContact O-N 3.43Å; I923-K925 VanDerWaalsContact C-N 3.34Å; I923-K925 PolarHBondContact O-N 3.11Å; I923-F926 PolarHBondContact O-N 3.49Å; I923-C927 PolarHBondContact O-N 2.77Å; I923-C927 PolarHBondContact O-SG 3.23Å; I923-C927 VanDerWaalsContact O-SG 3.34Å
924L88.7Confident82.8Confident90 Ų9084.1 Ų84.147%0.47140%0.403SS..Hα-helixtrans-63.6-42.7178.5-179.267.3000110.9R921 Y922 F926 C927 I928R921-L924 HydrophobicContact CB-CB 4.24Å; R921-L924 HydrophobicContact CB-CD2 4.45Å; R921-L924 PolarHBondContact O-N 3.23Å; Y922-L924 VanDerWaalsContact C-N 3.33Å; Y922-L924 PolarHBondContact O-N 2.93Å; L924-F926 VanDerWaalsContact C-N 3.33Å; L924-C927 PolarHBondContact O-N 3.45Å; L924-I928 HydrophobicContact CG-CD1 4.33Å; L924-I928 WeakPolarHBondContact O-CG1 3.3Å; L924-I928 PolarHBondContact O-N 3.38Å
925K91.2Very high84.3Confident118 Ų11881.9 Ų81.951%0.51339%0.394SS..Hα-helixtrans-64.1-40.8176.7-65.2-175.3178.1-170.30111.5I919 R921 Y922 I923 C927 I928 V929I919-K925 HydrophobicContact CG2-CD 4.35Å; R921-K925 PolarHBondContact O-N 3.27Å; Y922-K925 PolarHBondContact O-N 3.25Å; I923-K925 VanDerWaalsContact C-N 3.34Å; I923-K925 PolarHBondContact O-N 3.11Å; K925-C927 VanDerWaalsContact C-N 3.34Å; K925-I928 PolarHBondContact O-N 3.09Å; K925-V929 WeakPolarHBondContact O-CG2 3.37Å; K925-V929 PolarHBondContact O-N 3.3Å; K925-V929 VanDerWaalsContact O-N 3.09Å
926F92.4Very high86.6Confident20 Ų2077.3 Ų77.39%0.08838%0.382CS..Hα-helixtrans-64.2-39.6176.3-86.5-128.2000111.3I851 W899 L902 V905 H906 Y922 I923 L924 V929 G930I851-F926 HydrophobicContact CD1-CD1 4.1Å; I851-F926 HydrophobicContact CD1-CE1 4.26Å; I851-F926 HydrophobicContact CG1-CD1 4.48Å; W899-F926 HydrophobicContact CH2-CB 4.43Å; W899-F926 HydrophobicContact CZ3-CB 4.35Å; L902-F926 HydrophobicContact CB-CD1 3.86Å; L902-F926 HydrophobicContact CB-CE1 4Å; L902-F926 HydrophobicContact CD1-CB 4.43Å; L902-F926 HydrophobicContact CD1-CD1 4.31Å; L902-F926 WeakPolarHBondContact CD1-O 3.43Å; L902-F926 HydrophobicContact CD2-CD1 3.95Å; L902-F926 HydrophobicContact CD2-CE1 3.98Å; L902-F926 HydrophobicContact CD2-CG 4.33Å; L902-F926 HydrophobicContact CD2-CZ 4.38Å; L902-F926 HydrophobicContact CG-CD1 4.26Å; L902-F926 WeakPolarHBondContact O-CE1 3.21Å; V905-F926 HydrophobicContact CG1-CZ 4.33Å; H906-F926 HydrophobicContact CB-CE1 4.36Å; Y922-F926 HydrophobicContact CD2-CD2 4.18Å; Y922-F926 AromaticContact CD2-CE2 3.87Å; Y922-F926 HydrophobicContact CD2-CE2 3.87Å; Y922-F926 HydrophobicContact CE1-CE2 4.47Å; Y922-F926 HydrophobicContact CE1-CZ 4.41Å; Y922-F926 AromaticContact CE2-CD2 3.91Å; Y922-F926 HydrophobicContact CE2-CD2 3.91Å; Y922-F926 HydrophobicContact CE2-CE1 4.37Å; Y922-F926 AromaticContact CE2-CE2 3.23Å; Y922-F926 HydrophobicContact CE2-CE2 3.23Å; Y922-F926 AromaticContact CE2-CZ 3.53Å; Y922-F926 HydrophobicContact CE2-CZ 3.53Å; Y922-F926 AromaticContact CZ-CE1 3.88Å; Y922-F926 AromaticContact CZ-CE2 3.59Å; Y922-F926 AromaticContact CZ-CZ 3.44Å; Y922-F926 VanDerWaalsContact CZ-CZ 3.44Å; Y922-F926 WeakPolarHBondContact O-CD2 3.4Å; Y922-F926 PolarHBondContact O-N 3.43Å; Y922-F926 WeakPolarHBondContact OH-CE1 3.38Å; Y922-F926 WeakPolarHBondContact OH-CZ 3.43Å; I923-F926 PolarHBondContact O-N 3.49Å; L924-F926 VanDerWaalsContact C-N 3.33Å; F926-V929 PolarHBondContact O-N 3Å; F926-G930 PolarHBondContact O-N 3.3Å
927C92.5Very high88.5Confident37 Ų3771.8 Ų71.825%0.2535%0.352CS..Hα-helixtrans-64.6-40.6173.7-69.50000112.8I923 L924 K925 V929 G930 W931I923-C927 PolarHBondContact O-N 2.77Å; I923-C927 PolarHBondContact O-SG 3.23Å; I923-C927 VanDerWaalsContact O-SG 3.34Å; L924-C927 PolarHBondContact O-N 3.45Å; K925-C927 VanDerWaalsContact C-N 3.34Å; C927-V929 VanDerWaalsContact C-N 3.31Å; C927-V929 PolarHBondContact O-N 2.9Å; C927-G930 PolarHBondContact O-N 3.17Å; C927-W931 PolarHBondContact O-N 3.37Å
928I94.3Very high90Very high111 Ų11169.5 Ų69.557%0.56934%0.338SS*.Hα-helixtrans-60-43.5176.4-69.1165.4000110.4L924 K925 G932L924-I928 HydrophobicContact CG-CD1 4.33Å; L924-I928 WeakPolarHBondContact O-CG1 3.3Å; L924-I928 PolarHBondContact O-N 3.38Å; K925-I928 PolarHBondContact O-N 3.09Å; I928-G932 WeakPolarHBondContact O-CA 3.36Å; I928-G932 PolarHBondContact O-N 3.44Å
929V94.3Very high91.2Very high68 Ų6861.8 Ų61.841%0.41232%0.318SS..Hα-helixtrans-72.6-49.2178.4177.20000111.2T898 L902 K925 F926 C927 W931 L933T898-V929 HydrophobicContact CG2-CG1 4.45Å; L902-V929 HydrophobicContact CD1-CB 4.44Å; L902-V929 HydrophobicContact CD1-CG1 4.43Å; L902-V929 HydrophobicContact CD2-CG1 4.17Å; K925-V929 WeakPolarHBondContact O-CG2 3.37Å; K925-V929 PolarHBondContact O-N 3.3Å; K925-V929 VanDerWaalsContact O-N 3.09Å; F926-V929 PolarHBondContact O-N 3Å; C927-V929 VanDerWaalsContact C-N 3.31Å; C927-V929 PolarHBondContact O-N 2.9Å; V929-W931 PolarHBondContact O-N 3.04Å; V929-L933 VanDerWaalsContact O-CB 3.27Å; V929-L933 WeakPolarHBondContact O-CB 3.32Å; V929-L933 PolarHBondContact O-N 3.46Å; V929-L933 VanDerWaalsContact O-N 3.09Å
930G93.7Very high92.1Very high0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-64.3-38.9-172.400000113.8T895 F926 C927 P934T895-G930 WeakPolarHBondContact CG2-O 3.41Å; F926-G930 PolarHBondContact O-N 3.3Å; C927-G930 PolarHBondContact O-N 3.17Å; G930-P934 WeakPolarHBondContact O-CD 3.17Å
931W96.4Very high92.8Very high57 Ų5755.9 Ų55.922%0.21630%0.3CS..Hα-helixtrans-97.3-33.3177-64.6104.5000112.6N854 T857 Y891 F892 T895 W899 C927 V929 A935N854-W931 PolarHBondContact OD1-NE1 3.09Å; T857-W931 HydrophobicContact CG2-CH2 4.33Å; T857-W931 HydrophobicContact CG2-CZ2 4.4Å; Y891-W931 HydrophobicContact CE1-CE3 4.21Å; Y891-W931 HydrophobicContact CE1-CZ3 4.3Å; Y891-W931 PolarHBondContact OH-O 3.25Å; F892-W931 HydrophobicContact CD1-CZ3 4.19Å; F892-W931 AromaticContact CE1-CZ3 3.98Å; F892-W931 HydrophobicContact CE1-CZ3 3.98Å; T895-W931 HydrophobicContact CG2-CD2 3.94Å; T895-W931 HydrophobicContact CG2-CE3 3.43Å; T895-W931 VanDerWaalsContact CG2-CE3 3.43Å; T895-W931 HydrophobicContact CG2-CH2 4Å; T895-W931 HydrophobicContact CG2-CZ2 4.44Å; T895-W931 HydrophobicContact CG2-CZ3 3.46Å; T895-W931 VanDerWaalsContact CG2-CZ3 3.46Å; W899-W931 AromaticContact CE2-NE1 3.75Å; W899-W931 AromaticContact CZ2-CD1 3.63Å; W899-W931 AromaticContact CZ2-NE1 3.42Å; W899-W931 AromaticContact NE1-CD1 3.94Å; W899-W931 AromaticContact NE1-CD2 3.98Å; W899-W931 AromaticContact NE1-CE2 3.52Å; W899-W931 AromaticContact NE1-CZ2 3.87Å; W899-W931 AromaticContact NE1-NE1 3.51Å; C927-W931 PolarHBondContact O-N 3.37Å; V929-W931 PolarHBondContact O-N 3.04Å; W931-A935 WeakPolarHBondContact O-CB 3.33Å; W931-A935 PolarHBondContact O-N 3.08Å
932G95.1Very high93.2Very high29 Ų2950.4 Ų50.430%0.29929%0.285SS..Hα-helixtrans-77.2-41-174.100000114.3I928 A935 V936I928-G932 WeakPolarHBondContact O-CA 3.36Å; I928-G932 PolarHBondContact O-N 3.44Å; G932-A935 PolarHBondContact O-N 3.28Å; G932-V936 WeakPolarHBondContact O-CG2 3.47Å; G932-V936 PolarHBondContact O-N 3.22Å
933L94.3Very high93.5Very high74 Ų7455.4 Ų55.439%0.38732%0.317SS..Hα-helixtrans-63.4-47.2-178177.768.8000112.1T898 V929 A935 L937 Y978T898-L933 HydrophobicContact CG2-CD2 4.41Å; V929-L933 VanDerWaalsContact O-CB 3.27Å; V929-L933 WeakPolarHBondContact O-CB 3.32Å; V929-L933 PolarHBondContact O-N 3.46Å; V929-L933 VanDerWaalsContact O-N 3.09Å; L933-A935 VanDerWaalsContact C-N 3.34Å; L933-A935 PolarHBondContact O-N 3.27Å; L933-L937 PolarHBondContact O-N 3.47Å; L933-Y978 HydrophobicContact CD2-CE2 4.21Å; L933-Y978 WeakPolarHBondContact CD2-OH 3.39Å; L933-Y978 HydrophobicContact CG-CE2 4.43Å
934P95.9Very high93.7Very high0 Ų056.7 Ų56.70%033%0.334CS..Hα-helixtrans-59.8-39.1170.5-27.137.3000113.9Y891 L894 T895 T898 G930 V936 L937 V938Y891-P934 HydrophobicContact CD2-CB 3.88Å; Y891-P934 HydrophobicContact CE2-CB 3.84Å; L894-P934 HydrophobicContact CB-CB 3.83Å; L894-P934 HydrophobicContact CB-CG 4.19Å; T895-P934 WeakPolarHBondContact OG1-CB 3.34Å; T898-P934 WeakPolarHBondContact OG1-CG 3.33Å; G930-P934 WeakPolarHBondContact O-CD 3.17Å; P934-V936 PolarHBondContact O-N 2.92Å; P934-L937 PolarHBondContact O-N 3.28Å; P934-V938 WeakPolarHBondContact O-CG2 3.37Å; P934-V938 PolarHBondContact O-N 3.21Å
935A95.8Very high93.7Very high43 Ų4355.1 Ų55.136%0.35533%0.326SS..Hα-helixtrans-65.4-41.5-177.700000111.6Y891 W931 G932 L933 G939Y891-A935 HydrophobicContact CD2-CB 4.48Å; Y891-A935 HydrophobicContact CE2-CB 3.68Å; W931-A935 WeakPolarHBondContact O-CB 3.33Å; W931-A935 PolarHBondContact O-N 3.08Å; G932-A935 PolarHBondContact O-N 3.28Å; L933-A935 VanDerWaalsContact C-N 3.34Å; L933-A935 PolarHBondContact O-N 3.27Å; A935-G939 WeakPolarHBondContact O-CA 3.15Å; A935-G939 PolarHBondContact O-N 3.36Å
936V95.8Very high93.5Very high93 Ų9355.5 Ų55.556%0.56433%0.328SS*.Hα-helixtrans-63.6-46.2175.7171.90000110.6G932 P934 G939 I940G932-V936 WeakPolarHBondContact O-CG2 3.47Å; G932-V936 PolarHBondContact O-N 3.22Å; P934-V936 PolarHBondContact O-N 2.92Å; V936-G939 PolarHBondContact O-N 3.34Å; V936-I940 HydrophobicContact CG1-CD1 4.03Å; V936-I940 VanDerWaalsContact O-CG1 3.32Å; V936-I940 WeakPolarHBondContact O-CG1 3.44Å; V936-I940 PolarHBondContact O-N 3.23Å
937L94.3Very high93Very high53 Ų5359.2 Ų59.228%0.27735%0.349SS..Hα-helixtrans-61.8-50.3-179.8-75.8170.3000112.2L894 L933 P934 G939 I940 V941 Y978L894-L937 HydrophobicContact CD2-CB 4.36Å; L894-L937 HydrophobicContact CD2-CD1 4.23Å; L933-L937 PolarHBondContact O-N 3.47Å; P934-L937 PolarHBondContact O-N 3.28Å; L937-G939 VanDerWaalsContact C-N 3.31Å; L937-G939 PolarHBondContact O-N 3.35Å; L937-I940 PolarHBondContact O-N 3.34Å; L937-V941 WeakPolarHBondContact O-CG2 3.35Å; L937-V941 PolarHBondContact O-N 3.36Å; L937-Y978 HydrophobicContact CD1-CD2 3.5Å; L937-Y978 VanDerWaalsContact CD1-CD2 3.5Å; L937-Y978 HydrophobicContact CD1-CE2 3.35Å
938V95.5Very high92.9Very high7 Ų761 Ų614%0.04235%0.351CS..Hα-helixtrans-65.6-37.9178.1175.90000110.9V887 L894 P934 I940 V941 V942V887-V938 HydrophobicContact CG1-CG1 3.78Å; L894-V938 HydrophobicContact CD2-CG2 4.43Å; P934-V938 WeakPolarHBondContact O-CG2 3.37Å; P934-V938 PolarHBondContact O-N 3.21Å; V938-I940 PolarHBondContact O-N 2.89Å; V938-V941 PolarHBondContact O-N 2.87Å; V938-V942 HydrophobicContact CG1-CG2 4.27Å; V938-V942 WeakPolarHBondContact O-CG2 3.47Å; V938-V942 PolarHBondContact O-N 3.3Å
939G94Very high92.6Very high33 Ų3355.9 Ų55.934%0.3432%0.324SS..Hα-helixtrans-56.8-46.2174.500000112.5A935 V936 L937 V941 V942 T943A935-G939 WeakPolarHBondContact O-CA 3.15Å; A935-G939 PolarHBondContact O-N 3.36Å; V936-G939 PolarHBondContact O-N 3.34Å; L937-G939 VanDerWaalsContact C-N 3.31Å; L937-G939 PolarHBondContact O-N 3.35Å; G939-V941 PolarHBondContact O-N 3.31Å; G939-V942 PolarHBondContact O-N 3.34Å; G939-T943 VanDerWaalsContact O-CG2 3.31Å; G939-T943 WeakPolarHBondContact O-CG2 3.46Å; G939-T943 PolarHBondContact O-N 3.45Å; G939-T943 PolarHBondContact O-OG1 3.05Å; G939-T943 VanDerWaalsContact O-OG1 3.05Å
940I94.2Very high92.1Very high101 Ų10152.9 Ų52.952%0.51831%0.307SS..Hα-helixtrans-58.1-48176-69.2163.9000110.8V936 L937 V938 V942 T943 A944V936-I940 HydrophobicContact CG1-CD1 4.03Å; V936-I940 VanDerWaalsContact O-CG1 3.32Å; V936-I940 WeakPolarHBondContact O-CG1 3.44Å; V936-I940 PolarHBondContact O-N 3.23Å; L937-I940 PolarHBondContact O-N 3.34Å; V938-I940 PolarHBondContact O-N 2.89Å; I940-V942 PolarHBondContact O-N 2.87Å; I940-T943 WeakPolarHBondContact CA-OG1 2.81Å; I940-T943 PolarHBondContact O-N 2.99Å; I940-T943 PolarHBondContact O-OG1 3.49Å; I940-A944 WeakPolarHBondContact O-CB 3.21Å; I940-A944 PolarHBondContact O-N 3.09Å
941V93.7Very high91.5Very high12 Ų1255.3 Ų55.37%0.07332%0.322CS..Hα-helixtrans-60.6-46.6-179.7179.10000111.2L937 V938 G939 A944 N945 Y948 Y949 V970 T974L937-V941 WeakPolarHBondContact O-CG2 3.35Å; L937-V941 PolarHBondContact O-N 3.36Å; V938-V941 PolarHBondContact O-N 2.87Å; G939-V941 PolarHBondContact O-N 3.31Å; V941-A944 PolarHBondContact O-N 3.15Å; V941-N945 PolarHBondContact O-N 3.39Å; V941-N945 VanDerWaalsContact O-N 3.13Å; V941-Y948 HydrophobicContact CG1-CD2 4.16Å; V941-Y949 HydrophobicContact CB-CE2 4.48Å; V941-Y949 HydrophobicContact CG1-CE2 3.71Å; V941-Y949 WeakPolarHBondContact CG1-OH 3.44Å; V941-V970 HydrophobicContact CG1-CG1 3.61Å; V941-V970 HydrophobicContact CG2-CG1 4.24Å; V941-T974 HydrophobicContact CG2-CG2 3.82Å
942V92.9Very high90.1Very high56 Ų5656.7 Ų56.734%0.33933%0.333SS..Hα-helixtrans-64.9-40179.3174.50000111.4V887 V938 G939 I940 A944 K946 Y949V887-V942 HydrophobicContact CG1-CG2 4.14Å; V887-V942 HydrophobicContact CG2-CG2 3.79Å; V938-V942 HydrophobicContact CG1-CG2 4.27Å; V938-V942 WeakPolarHBondContact O-CG2 3.47Å; V938-V942 PolarHBondContact O-N 3.3Å; G939-V942 PolarHBondContact O-N 3.34Å; I940-V942 PolarHBondContact O-N 2.87Å; V942-A944 VanDerWaalsContact C-N 3.33Å; V942-K946 PolarHBondContact O-N 3.28Å; V942-Y949 HydrophobicContact CG2-CD2 4.41Å; V942-Y949 HydrophobicContact CG2-CE2 3.66Å
943T91.2Very high88.3Confident120 Ų12058.9 Ų58.974%0.73634%0.338SS*.Hα-helixtrans-69.9-28.8176.755.30000113.4G939 I940G939-T943 VanDerWaalsContact O-CG2 3.31Å; G939-T943 WeakPolarHBondContact O-CG2 3.46Å; G939-T943 PolarHBondContact O-N 3.45Å; G939-T943 PolarHBondContact O-OG1 3.05Å; G939-T943 VanDerWaalsContact O-OG1 3.05Å; I940-T943 WeakPolarHBondContact CA-OG1 2.81Å; I940-T943 PolarHBondContact O-N 2.99Å; I940-T943 PolarHBondContact O-OG1 3.49Å
944A91.8Very high86Confident68 Ų6859.7 Ų59.756%0.56234%0.342SS*.Hα-helixtrans-71.9-52178.500000110.8I940 V941 V942 Y948I940-A944 WeakPolarHBondContact O-CB 3.21Å; I940-A944 PolarHBondContact O-N 3.09Å; V941-A944 PolarHBondContact O-N 3.15Å; V942-A944 VanDerWaalsContact C-N 3.33Å; A944-Y948 HydrophobicContact CB-CE2 4.15Å
945N89.1Confident83.4Confident57 Ų5767.6 Ų67.631%0.30538%0.379SS..  trans-162123.4168.4-164.5-17.2000110.5V941 D947 Y948V941-N945 PolarHBondContact O-N 3.39Å; V941-N945 VanDerWaalsContact O-N 3.13Å; N945-D947 PolarHBondContact O-N 2.86Å; N945-D947 WeakPolarHBondContact OD1-CB 3.42Å; N945-D947 PolarHBondContact OD1-N 3.4Å; N945-D947 PolarHBondContact OD1-OD2 2.94Å; N945-Y948 HydrophobicContact CB-CD1 4.17Å; N945-Y948 HydrophobicContact CB-CD2 3.71Å; N945-Y948 HydrophobicContact CB-CE1 3.95Å; N945-Y948 HydrophobicContact CB-CE2 3.47Å; N945-Y948 VanDerWaalsContact CB-CE2 3.47Å; N945-Y948 HydrophobicContact CB-CG 4.06Å; N945-Y948 WeakPolarHBondContact O-CD2 3.13Å; N945-Y948 PolarHBondContact O-N 3.12Å
946K85.4Confident80.8Confident127 Ų12769.4 Ų69.455%0.55239%0.386SS*.G310 helixtrans-66.1-25174.566.8176.5-176.11720112.6V942 Y948 Y949V942-K946 PolarHBondContact O-N 3.28Å; K946-Y948 PolarHBondContact O-N 3.02Å; K946-Y949 PolarHBondContact O-N 2.78Å; K946-Y949 VanDerWaalsContact O-N 3.15Å
947D83.4Confident78.2Confident98 Ų9869 Ų6952%0.52438%0.38SS..G310 helixtrans-74.7-7.4-176.2-56.1-28.6000112.5N945 Y949N945-D947 PolarHBondContact O-N 2.86Å; N945-D947 WeakPolarHBondContact OD1-CB 3.42Å; N945-D947 PolarHBondContact OD1-N 3.4Å; N945-D947 PolarHBondContact OD1-OD2 2.94Å; D947-Y949 PolarHBondContact O-N 2.98Å
948Y89.2Confident75.6Confident75 Ų7574.4 Ų74.429%0.29441%0.409SS..G310 helixtrans-63.7-16.7167-63.2-32.5000112.8V941 A944 N945 K946 I965 K966 E967 V970V941-Y948 HydrophobicContact CG1-CD2 4.16Å; A944-Y948 HydrophobicContact CB-CE2 4.15Å; N945-Y948 HydrophobicContact CB-CD1 4.17Å; N945-Y948 HydrophobicContact CB-CD2 3.71Å; N945-Y948 HydrophobicContact CB-CE1 3.95Å; N945-Y948 HydrophobicContact CB-CE2 3.47Å; N945-Y948 VanDerWaalsContact CB-CE2 3.47Å; N945-Y948 HydrophobicContact CB-CG 4.06Å; N945-Y948 WeakPolarHBondContact O-CD2 3.13Å; N945-Y948 PolarHBondContact O-N 3.12Å; K946-Y948 PolarHBondContact O-N 3.02Å; Y948-I965 CarbonylContact O-C 3.47Å; Y948-I965 WeakPolarHBondContact O-CA 3.27Å; Y948-K966 PolarHBondContact O-N 3.45Å; Y948-E967 HydrophobicContact CD1-CB 3.68Å; Y948-E967 HydrophobicContact CD1-CG 3.9Å; Y948-E967 HydrophobicContact CE1-CB 4.38Å; Y948-E967 HydrophobicContact CE1-CG 4.09Å; Y948-E967 HydrophobicContact CG-CB 4.2Å; Y948-V970 HydrophobicContact CD1-CG2 4.41Å; Y948-V970 HydrophobicContact CD2-CG2 3.87Å; Y948-V970 HydrophobicContact CE2-CG2 4.22Å; Y948-V970 HydrophobicContact CG-CG2 3.97Å
949Y88.9Confident73.3Confident3 Ų377.1 Ų77.11%0.01243%0.429CS..EExtended strand (participates in β ladder)trans-108.3147.3174.7-60.6-83.1000111.4A886 V887 H890 V941 V942 K946 D947 I965A886-Y949 HydrophobicContact CB-CD1 3.87Å; A886-Y949 HydrophobicContact CB-CG 4.41Å; V887-Y949 HydrophobicContact CG2-CD1 4.06Å; V887-Y949 HydrophobicContact CG2-CD2 3.71Å; V887-Y949 HydrophobicContact CG2-CE1 4.07Å; V887-Y949 HydrophobicContact CG2-CE2 3.74Å; V887-Y949 HydrophobicContact CG2-CG 3.88Å; H890-Y949 HydrophobicContact CB-CE1 4.19Å; H890-Y949 AromaticContact ND1-CE1 3.74Å; H890-Y949 AromaticContact ND1-CZ 3.75Å; H890-Y949 PolarHBondContact ND1-OH 3.42Å; V941-Y949 HydrophobicContact CB-CE2 4.48Å; V941-Y949 HydrophobicContact CG1-CE2 3.71Å; V941-Y949 WeakPolarHBondContact CG1-OH 3.44Å; V942-Y949 HydrophobicContact CG2-CD2 4.41Å; V942-Y949 HydrophobicContact CG2-CE2 3.66Å; K946-Y949 PolarHBondContact O-N 2.78Å; K946-Y949 VanDerWaalsContact O-N 3.15Å; D947-Y949 PolarHBondContact O-N 2.98Å; Y949-I965 HydrophobicContact CD1-CG1 3.91Å; Y949-I965 HydrophobicContact CE1-CD1 4.39Å; Y949-I965 HydrophobicContact CE1-CG1 3.7Å
950G83Confident71.5Confident5 Ų578.6 Ų78.65%0.05244%0.438CS..EExtended strand (participates in β ladder)trans163.3-164.5168.900000113.9L952 W964G950-L952 PolarHBondContact O-N 2.96Å; G950-W964 PolarHBondContact N-O 3.36Å; G950-W964 PolarHBondContact O-N 2.97Å
951V81.3Confident70.2Confident51 Ų5176.8 Ų76.831%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-68.2127.1179.4-175.30000110.6C882 M961 K966C882-V951 HydrophobicContact CB-CG2 4.36Å; C882-V951 WeakPolarHBondContact SG-CG2 3.36Å; V951-M961 HydrophobicContact CG1-CB 4.38Å; V951-K966 WeakPolarHBondContact O-CE 3.41Å
952L67.8Low69.5Low86 Ų8678.8 Ų78.845%0.4544%0.437SS..EExtended strand (participates in β ladder)trans-87.9101.4168.8-169.269000108.3G950 M962G950-L952 PolarHBondContact O-N 2.96Å; L952-M962 PolarHBondContact N-O 3.15Å
953N56.9Low69.3Low75 Ų7576.1 Ų76.140%0.40142%0.421SS..  trans-104102.7-177.6-151.920.7000109.8H955N953-H955 PolarHBondContact ND2-CE1 3.34Å; N953-H955 PolarHBondContact O-N 3.01Å
954N45.4Very low69.1Low90 Ų9072 Ų7248%0.48139%0.392SS..  trans-82.9105165.4-93.2-1.9000107.3T956 D957N954-T956 PolarHBondContact O-N 3.03Å; N954-D957 PolarHBondContact O-N 2.6Å
955H42.3Very low68.9Low167 Ų16769.2 Ų69.277%0.77337%0.368SS*.THydrogen-bonded Turntrans-63.718.2-171.8-82.5-70.1000116.6N953N953-H955 PolarHBondContact ND2-CE1 3.34Å; N953-H955 PolarHBondContact O-N 3.01Å
956T41.2Very low68.6Low80 Ų8071.9 Ų71.949%0.49138%0.376SS..THydrogen-bonded Turntrans-127-5-177.9500000115.7N954N954-T956 PolarHBondContact O-N 3.03Å
957D40.7Very low68.6Low84 Ų8469.9 Ų69.945%0.44937%0.369SS..  trans-146.1121.3176.3-92.6-26000111.9K812 N954 S959K812-D957 IonicContact NZ-OD2 2.73Å; K812-D957 PolarHBondContact NZ-OD2 3.16Å; N954-D957 PolarHBondContact O-N 2.6Å; D957-S959 PolarHBondContact O-N 2.97Å
958D40.5Very low68.3Low167 Ų16772.1 Ų72.189%0.89337%0.374SS*.THydrogen-bonded Turntrans-63.113.8173.5-97.8-21.3000114.6
959S47.5Very low68.1Low64 Ų6472.1 Ų72.145%0.44839%0.385SS..THydrogen-bonded Turntrans-111.610.1-159.884.10000117.1D957D957-S959 PolarHBondContact O-N 2.97Å
960A54.7Low68Low64 Ų6472.8 Ų72.853%0.52939%0.389SS..  trans-178.991.5157.600000111.7
961M66.9Low68.1Low63 Ų6375.7 Ų75.731%0.3140%0.401SS..  trans-69.1128.5161.8-62.2178.5-176.600108A873 V951A873-M961 VanDerWaalsContact CB-C 3.46Å; A873-M961 HydrophobicContact CB-CB 3.86Å; A873-M961 WeakPolarHBondContact CB-O 3.34Å; V951-M961 HydrophobicContact CG1-CB 4.38Å
962M79.7Confident68.4Low54 Ų5480.1 Ų80.127%0.26641%0.413SS..EExtended strand (participates in β ladder)trans-129.8142.6179.3-172.3-173175.200109.8F866 D869 L889 L952 W964F866-M962 HydrophobicContact CD2-CE 4.28Å; F866-M962 HydrophobicContact CE2-CE 4.18Å; D869-M962 WeakPolarHBondContact OD2-CA 3.34Å; D869-M962 WeakPolarHBondContact OD2-CG 3.36Å; L889-M962 HydrophobicContact CD1-CE 4.26Å; L952-M962 PolarHBondContact N-O 3.15Å; M962-W964 HydrophobicContact CE-CD2 4.39Å; M962-W964 HydrophobicContact CE-CE3 4.26Å
963C87.6Confident69.3Low0 Ų080.6 Ų80.60%042%0.419CS..EExtended strand (participates in β ladder)trans-91.6111.1174.1-67.10000110.4D869 A873 C882 A885 A886D869-C963 WeakPolarHBondContact OD1-CB 3.28Å; D869-C963 PolarHBondContact OD2-N 3.11Å; A873-C963 VanDerWaalsContact CA-SG 3.52Å; A873-C963 VanDerWaalsContact CB-SG 3.58Å; C882-C963 WeakPolarHBondContact CA-SG 3.09Å; C882-C963 HydrophobicContact CB-CB 4.14Å; C882-C963 WeakPolarHBondContact CB-SG 3.48Å; C882-C963 WeakPolarHBondContact O-CB 3.35Å; C882-C963 WeakPolarHBondContact SG-CB 3.35Å; C882-C963 CovalentContact SG-SG 2.02Å; C882-C963 PolarHBondContact SG-SG 3.15Å; A885-C963 HydrophobicContact CB-CB 4.36Å; A886-C963 HydrophobicContact CB-CB 4.31Å
964W88.9Confident70.8Confident35 Ų3578 Ų7813%0.13341%0.407CS..EExtended strand (participates in β ladder)trans-148.5-174.2-175.7-160.8-120.6000113.3L889 L893 G950 M962 K966 F971L889-W964 HydrophobicContact CB-CE3 4.34Å; L889-W964 HydrophobicContact CB-CZ3 3.72Å; L889-W964 HydrophobicContact CD1-CZ3 4.44Å; L889-W964 HydrophobicContact CD2-CE3 3.83Å; L889-W964 HydrophobicContact CD2-CH2 3.53Å; L889-W964 HydrophobicContact CD2-CZ3 3.05Å; L889-W964 HydrophobicContact CG-CE3 4.43Å; L889-W964 HydrophobicContact CG-CZ3 3.83Å; L893-W964 HydrophobicContact CD2-CH2 3.99Å; L893-W964 HydrophobicContact CD2-CZ2 4.31Å; G950-W964 PolarHBondContact N-O 3.36Å; G950-W964 PolarHBondContact O-N 2.97Å; M962-W964 HydrophobicContact CE-CD2 4.39Å; M962-W964 HydrophobicContact CE-CE3 4.26Å; W964-K966 PolarHBondContact O-N 3.47Å; W964-F971 AromaticContact NE1-CD2 3.82Å; W964-F971 AromaticContact NE1-CE2 3.9Å
965I87.2Confident72.7Confident9 Ų974.1 Ų74.15%0.04639%0.386CS..EExtended strand (participates in β ladder)trans-73.4120174.9-56.2169.6000108.3H890 Y948 Y949 V970 F971 C975H890-I965 HydrophobicContact CB-CD1 4.49Å; Y948-I965 CarbonylContact O-C 3.47Å; Y948-I965 WeakPolarHBondContact O-CA 3.27Å; Y949-I965 HydrophobicContact CD1-CG1 3.91Å; Y949-I965 HydrophobicContact CE1-CD1 4.39Å; Y949-I965 HydrophobicContact CE1-CG1 3.7Å; I965-V970 HydrophobicContact CG2-CB 3.97Å; I965-V970 HydrophobicContact CG2-CG1 3.88Å; I965-F971 HydrophobicContact CG2-CB 4.23Å; I965-C975 VanDerWaalsContact CD1-SG 3.55Å
966K83.1Confident74.9Confident113 Ų11368.4 Ų68.449%0.49136%0.363SS..  trans-80.2-39.7178.4-72.5179169.5175.70112.3Y948 V951 W964 K968Y948-K966 PolarHBondContact O-N 3.45Å; V951-K966 WeakPolarHBondContact O-CE 3.41Å; W964-K966 PolarHBondContact O-N 3.47Å; K966-K968 PolarHBondContact O-N 3.5Å
967E84.1Confident77.1Confident85 Ų8566.4 Ų66.440%0.39736%0.358SS..  trans-78.8118.7-173.8-175.353.3-132.800111.3Y948 S969 V970 F971Y948-E967 HydrophobicContact CD1-CB 3.68Å; Y948-E967 HydrophobicContact CD1-CG 3.9Å; Y948-E967 HydrophobicContact CE1-CB 4.38Å; Y948-E967 HydrophobicContact CE1-CG 4.09Å; Y948-E967 HydrophobicContact CG-CB 4.2Å; E967-S969 VanDerWaalsContact C-N 3.33Å; E967-S969 PolarHBondContact O-N 2.82Å; E967-V970 HydrophobicContact CB-CB 4.22Å; E967-V970 HydrophobicContact CB-CG2 3.97Å; E967-V970 HydrophobicContact CG-CB 4.4Å; E967-V970 HydrophobicContact CG-CG2 3.83Å; E967-V970 PolarHBondContact O-N 3.19Å; E967-F971 PolarHBondContact O-N 3.4Å; E967-F971 VanDerWaalsContact O-N 3.14Å
968K78.3Confident79.6Confident145 Ų14563.3 Ų63.363%0.6334%0.34SS*.Hα-helixtrans-62.7-39.9-175.9-68.3-177.9-179.4177.10111.9K966 V970 F971 Y972K966-K968 PolarHBondContact O-N 3.5Å; K968-V970 VanDerWaalsContact C-N 3.33Å; K968-V970 PolarHBondContact O-N 2.78Å; K968-F971 PolarHBondContact O-N 3.24Å; K968-Y972 HydrophobicContact CB-CD2 4.43Å; K968-Y972 HydrophobicContact CB-CE2 4.36Å; K968-Y972 WeakPolarHBondContact O-CD2 3.33Å; K968-Y972 PolarHBondContact O-N 2.91Å
969S83.4Confident81.9Confident74 Ų7456.2 Ų56.252%0.51730%0.302SS..Hα-helixtrans-60.8-42.5-180-177.60000112.2E967 T973E967-S969 VanDerWaalsContact C-N 3.33Å; E967-S969 PolarHBondContact O-N 2.82Å; S969-T973 VanDerWaalsContact O-CB 3.31Å; S969-T973 WeakPolarHBondContact O-CB 3.44Å; S969-T973 PolarHBondContact O-N 3.13Å; S969-T973 PolarHBondContact O-OG1 3.29Å
970V86.9Confident83.9Confident17 Ų1755.1 Ų55.110%0.10329%0.293CS..Hα-helixtrans-64.4-49.4176.9176.70000110V941 Y948 I965 E967 K968 Y972 T973 T974V941-V970 HydrophobicContact CG1-CG1 3.61Å; V941-V970 HydrophobicContact CG2-CG1 4.24Å; Y948-V970 HydrophobicContact CD1-CG2 4.41Å; Y948-V970 HydrophobicContact CD2-CG2 3.87Å; Y948-V970 HydrophobicContact CE2-CG2 4.22Å; Y948-V970 HydrophobicContact CG-CG2 3.97Å; I965-V970 HydrophobicContact CG2-CB 3.97Å; I965-V970 HydrophobicContact CG2-CG1 3.88Å; E967-V970 HydrophobicContact CB-CB 4.22Å; E967-V970 HydrophobicContact CB-CG2 3.97Å; E967-V970 HydrophobicContact CG-CB 4.4Å; E967-V970 HydrophobicContact CG-CG2 3.83Å; E967-V970 PolarHBondContact O-N 3.19Å; K968-V970 VanDerWaalsContact C-N 3.33Å; K968-V970 PolarHBondContact O-N 2.78Å; V970-Y972 PolarHBondContact O-N 3.35Å; V970-T973 PolarHBondContact O-N 2.9Å; V970-T974 HydrophobicContact CG1-CG2 4.3Å; V970-T974 PolarHBondContact O-N 3.25Å; V970-T974 PolarHBondContact O-OG1 3.15Å
971F86.5Confident85.6Confident67 Ų6756.7 Ų56.729%0.29429%0.292SS..Iπ-helixtrans-55.1-49.7178.3172.5-101.6000112.9W964 I965 E967 K968 C975 V976W964-F971 AromaticContact NE1-CD2 3.82Å; W964-F971 AromaticContact NE1-CE2 3.9Å; I965-F971 HydrophobicContact CG2-CB 4.23Å; E967-F971 PolarHBondContact O-N 3.4Å; E967-F971 VanDerWaalsContact O-N 3.14Å; K968-F971 PolarHBondContact O-N 3.24Å; F971-C975 HydrophobicContact CD2-CB 4.15Å; F971-C975 HydrophobicContact CE2-CB 4.27Å; F971-C975 WeakPolarHBondContact O-CA 3.24Å; F971-C975 VanDerWaalsContact O-CB 3.24Å; F971-C975 WeakPolarHBondContact O-CB 3.15Å; F971-C975 PolarHBondContact O-N 3.42Å; F971-V976 HydrophobicContact CD1-CG2 4.35Å; F971-V976 HydrophobicContact CE1-CG2 3.83Å; F971-V976 HydrophobicContact CZ-CG2 4.08Å; F971-V976 PolarHBondContact O-N 2.92Å
972Y86.6Confident86.7Confident143 Ų14354.8 Ų54.856%0.56128%0.283SS*.Iπ-helixtrans-67.1-39.3-179.8-75.1-66.4000112.5K968 V970 V976 G977K968-Y972 HydrophobicContact CB-CD2 4.43Å; K968-Y972 HydrophobicContact CB-CE2 4.36Å; K968-Y972 WeakPolarHBondContact O-CD2 3.33Å; K968-Y972 PolarHBondContact O-N 2.91Å; V970-Y972 PolarHBondContact O-N 3.35Å; Y972-V976 HydrophobicContact CD1-CB 4.34Å; Y972-V976 HydrophobicContact CD1-CG2 3.96Å; Y972-V976 WeakPolarHBondContact O-CB 3.13Å; Y972-V976 PolarHBondContact O-N 3.48Å; Y972-G977 PolarHBondContact O-N 3.05Å
973T86.6Confident87.1Confident96 Ų9653.7 Ų53.759%0.58928%0.277SS*.Iπ-helixtrans-74.8-48.1-176.6-54.30000111.8S969 V970S969-T973 VanDerWaalsContact O-CB 3.31Å; S969-T973 WeakPolarHBondContact O-CB 3.44Å; S969-T973 PolarHBondContact O-N 3.13Å; S969-T973 PolarHBondContact O-OG1 3.29Å; V970-T973 PolarHBondContact O-N 2.9Å
974T88.8Confident87.3Confident22 Ų2259.2 Ų59.214%0.13531%0.306CS..Iπ-helixtrans-92-30.6-170.567.90000113.6H890 V941 V970 Y978H890-T974 PolarHBondContact CE1-OG1 3.23Å; H890-T974 PolarHBondContact NE2-OG1 2.91Å; H890-T974 VanDerWaalsContact NE2-OG1 3.09Å; V941-T974 HydrophobicContact CG2-CG2 3.82Å; V970-T974 HydrophobicContact CG1-CG2 4.3Å; V970-T974 PolarHBondContact O-N 3.25Å; V970-T974 PolarHBondContact O-OG1 3.15Å; T974-Y978 WeakPolarHBondContact O-CB 3.33Å
975C85.6Confident87.2Confident8 Ų861.7 Ų61.75%0.05432%0.321CS..Iπ-helixtrans-93.9-59.6176.7-58.20000111.2H890 I965 F971 F979H890-C975 PolarHBondContact CD2-SG 3.42Å; H890-C975 PolarHBondContact NE2-SG 3.46Å; H890-C975 VanDerWaalsContact NE2-SG 3.37Å; I965-C975 VanDerWaalsContact CD1-SG 3.55Å; F971-C975 HydrophobicContact CD2-CB 4.15Å; F971-C975 HydrophobicContact CE2-CB 4.27Å; F971-C975 WeakPolarHBondContact O-CA 3.24Å; F971-C975 VanDerWaalsContact O-CB 3.24Å; F971-C975 WeakPolarHBondContact O-CB 3.15Å; F971-C975 PolarHBondContact O-N 3.42Å; C975-F979 WeakPolarHBondContact O-CB 3.43Å; C975-F979 PolarHBondContact O-N 2.85Å
976V87.5Confident87.2Confident46 Ų4661.6 Ų61.628%0.27932%0.32SS..Iπ-helixtrans-70.4-48-173.5-177.40000111.3F971 Y972 Y978 F979 C980F971-V976 HydrophobicContact CD1-CG2 4.35Å; F971-V976 HydrophobicContact CE1-CG2 3.83Å; F971-V976 HydrophobicContact CZ-CG2 4.08Å; F971-V976 PolarHBondContact O-N 2.92Å; Y972-V976 HydrophobicContact CD1-CB 4.34Å; Y972-V976 HydrophobicContact CD1-CG2 3.96Å; Y972-V976 WeakPolarHBondContact O-CB 3.13Å; Y972-V976 PolarHBondContact O-N 3.48Å; V976-Y978 PolarHBondContact O-N 2.97Å; V976-F979 PolarHBondContact O-N 3.35Å; V976-C980 WeakPolarHBondContact O-CB 3.26Å; V976-C980 PolarHBondContact O-N 3.35Å; V976-C980 PolarHBondContact O-SG 2.96Å
977G89.1Confident87.5Confident38 Ų3858 Ų5839%0.39231%0.308SS..Iπ-helixtrans-59.8-45.9177.700000112.9Y972 C980 L981Y972-G977 PolarHBondContact O-N 3.05Å; G977-C980 PolarHBondContact O-N 3.49Å; G977-L981 PolarHBondContact O-N 3.48Å; G977-L981 VanDerWaalsContact O-N 3.12Å
978Y91.7Very high87.6Confident20 Ų2056.3 Ų56.38%0.07831%0.308CS..Hα-helixtrans-64.5-42.8177-168.7-89.8000112.2L894 F897 T898 L933 L937 T974 V976 L981 M982L894-Y978 HydrophobicContact CB-CE1 4.32Å; L894-Y978 HydrophobicContact CD2-CD1 4.46Å; L894-Y978 HydrophobicContact CD2-CG 4.45Å; L894-Y978 HydrophobicContact CG-CD1 3.89Å; L894-Y978 HydrophobicContact CG-CE1 4.14Å; L894-Y978 HydrophobicContact CG-CG 4.31Å; F897-Y978 HydrophobicContact CB-CE1 4.36Å; T898-Y978 PolarHBondContact OG1-OH 2.86Å; L933-Y978 HydrophobicContact CD2-CE2 4.21Å; L933-Y978 WeakPolarHBondContact CD2-OH 3.39Å; L933-Y978 HydrophobicContact CG-CE2 4.43Å; L937-Y978 HydrophobicContact CD1-CD2 3.5Å; L937-Y978 VanDerWaalsContact CD1-CD2 3.5Å; L937-Y978 HydrophobicContact CD1-CE2 3.35Å; T974-Y978 WeakPolarHBondContact O-CB 3.33Å; V976-Y978 PolarHBondContact O-N 2.97Å; Y978-L981 PolarHBondContact O-N 2.92Å; Y978-M982 HydrophobicContact CD1-CG 4.07Å; Y978-M982 HydrophobicContact CE1-CG 3.72Å; Y978-M982 HydrophobicContact CE2-CE 4.46Å; Y978-M982 WeakPolarHBondContact O-CG 3.14Å; Y978-M982 PolarHBondContact O-N 2.9Å; Y978-M982 VanDerWaalsContact O-N 3.07Å
979F89.7Confident87.9Confident18 Ų1850.8 Ų50.88%0.07929%0.285CS..Hα-helixtrans-58.9-50.6174.4168-104.1000111.4F897 C975 V976 L981 M982 F983 W1031 L1035F897-F979 HydrophobicContact CD1-CD2 4.11Å; F897-F979 HydrophobicContact CD2-CB 4.4Å; F897-F979 HydrophobicContact CD2-CD2 4.35Å; F897-F979 AromaticContact CE1-CD2 3.64Å; F897-F979 HydrophobicContact CE1-CD2 3.64Å; F897-F979 HydrophobicContact CE1-CE2 4.03Å; F897-F979 HydrophobicContact CE2-CB 4.02Å; F897-F979 AromaticContact CE2-CD2 3.9Å; F897-F979 HydrophobicContact CE2-CD2 3.9Å; F897-F979 HydrophobicContact CE2-CG 4.37Å; F897-F979 HydrophobicContact CG-CD2 4.45Å; F897-F979 HydrophobicContact CZ-CB 4.43Å; F897-F979 AromaticContact CZ-CD2 3.53Å; F897-F979 HydrophobicContact CZ-CD2 3.53Å; F897-F979 HydrophobicContact CZ-CE2 4.23Å; F897-F979 HydrophobicContact CZ-CG 4.29Å; C975-F979 WeakPolarHBondContact O-CB 3.43Å; C975-F979 PolarHBondContact O-N 2.85Å; V976-F979 PolarHBondContact O-N 3.35Å; F979-L981 VanDerWaalsContact C-N 3.29Å; F979-L981 PolarHBondContact O-N 3Å; F979-M982 PolarHBondContact O-N 3.27Å; F979-F983 HydrophobicContact CD2-CB 4.4Å; F979-F983 HydrophobicContact CE1-CB 4.2Å; F979-F983 HydrophobicContact CE1-CG 4.29Å; F979-F983 HydrophobicContact CE2-CB 3.94Å; F979-F983 HydrophobicContact CE2-CD2 4.01Å; F979-F983 HydrophobicContact CE2-CG 4.23Å; F979-F983 HydrophobicContact CZ-CB 3.84Å; F979-F983 AromaticContact CZ-CD2 3.68Å; F979-F983 HydrophobicContact CZ-CD2 3.68Å; F979-F983 HydrophobicContact CZ-CE2 4.38Å; F979-F983 AromaticContact CZ-CG 3.77Å; F979-F983 HydrophobicContact CZ-CG 3.77Å; F979-F983 WeakPolarHBondContact O-CB 3.49Å; F979-F983 PolarHBondContact O-N 3.07Å; F979-W1031 HydrophobicContact CD2-CB 4.47Å; F979-W1031 HydrophobicContact CE2-CB 3.39Å; F979-W1031 HydrophobicContact CE2-CG 4.26Å; F979-W1031 HydrophobicContact CZ-CB 3.67Å; F979-L1035 HydrophobicContact CE1-CD1 3.93Å; F979-L1035 HydrophobicContact CE1-CD2 4.19Å; F979-L1035 HydrophobicContact CE1-CG 3.89Å
980C89.9Confident87.9Confident40 Ų4048.8 Ų48.827%0.2727%0.267SS..Hα-helixtrans-56.9-42.8179.6-740000111.9V976 G977 F983 L984V976-C980 WeakPolarHBondContact O-CB 3.26Å; V976-C980 PolarHBondContact O-N 3.35Å; V976-C980 PolarHBondContact O-SG 2.96Å; G977-C980 PolarHBondContact O-N 3.49Å; C980-F983 PolarHBondContact O-N 3.01Å; C980-L984 WeakPolarHBondContact O-CB 3.37Å; C980-L984 VanDerWaalsContact O-CG 3.24Å; C980-L984 WeakPolarHBondContact O-CG 3.39Å; C980-L984 PolarHBondContact O-N 3.02Å
981L90.3Very high87.9Confident98 Ų9852.3 Ų52.351%0.51328%0.284SS..Hα-helixtrans-61-49.8176.7-179.265.6000111.9G977 Y978 F979 L985G977-L981 PolarHBondContact O-N 3.48Å; G977-L981 VanDerWaalsContact O-N 3.12Å; Y978-L981 PolarHBondContact O-N 2.92Å; F979-L981 VanDerWaalsContact C-N 3.29Å; F979-L981 PolarHBondContact O-N 3Å; L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.27Å
982M89.6Confident87.7Confident23 Ų2351.6 Ų51.611%0.11329%0.286CS..Hα-helixtrans-68.8-37.4-179.9-68-62.8130.200112.4F897 Y978 F979 L985 N986F897-M982 HydrophobicContact CB-CB 4.39Å; F897-M982 HydrophobicContact CB-CG 4.43Å; Y978-M982 HydrophobicContact CD1-CG 4.07Å; Y978-M982 HydrophobicContact CE1-CG 3.72Å; Y978-M982 HydrophobicContact CE2-CE 4.46Å; Y978-M982 WeakPolarHBondContact O-CG 3.14Å; Y978-M982 PolarHBondContact O-N 2.9Å; Y978-M982 VanDerWaalsContact O-N 3.07Å; F979-M982 PolarHBondContact O-N 3.27Å; M982-L985 HydrophobicContact CE-CD1 4.35Å; M982-L985 PolarHBondContact O-N 3.48Å; M982-L985 HydrophobicContact SD-CD1 4.44Å; M982-N986 WeakPolarHBondContact O-CB 3.07Å; M982-N986 VanDerWaalsContact O-CG 3.27Å; M982-N986 PolarHBondContact O-N 3.46Å
983F88.4Confident87.3Confident30 Ų3044.9 Ų44.913%0.13226%0.26CS..Hα-helixtrans-65.8-44.4178.6-177.6-102.8000111.5F979 C980 L985 N986 V987 M1029 L1035F979-F983 HydrophobicContact CD2-CB 4.4Å; F979-F983 HydrophobicContact CE1-CB 4.2Å; F979-F983 HydrophobicContact CE1-CG 4.29Å; F979-F983 HydrophobicContact CE2-CB 3.94Å; F979-F983 HydrophobicContact CE2-CD2 4.01Å; F979-F983 HydrophobicContact CE2-CG 4.23Å; F979-F983 HydrophobicContact CZ-CB 3.84Å; F979-F983 AromaticContact CZ-CD2 3.68Å; F979-F983 HydrophobicContact CZ-CD2 3.68Å; F979-F983 HydrophobicContact CZ-CE2 4.38Å; F979-F983 AromaticContact CZ-CG 3.77Å; F979-F983 HydrophobicContact CZ-CG 3.77Å; F979-F983 WeakPolarHBondContact O-CB 3.49Å; F979-F983 PolarHBondContact O-N 3.07Å; C980-F983 PolarHBondContact O-N 3.01Å; F983-L985 VanDerWaalsContact C-N 3.33Å; F983-L985 PolarHBondContact O-N 2.87Å; F983-N986 PolarHBondContact O-N 3.43Å; F983-N986 VanDerWaalsContact O-N 3.13Å; F983-V987 HydrophobicContact CD1-CG2 3.82Å; F983-V987 HydrophobicContact CD2-CG2 4.41Å; F983-V987 HydrophobicContact CE1-CG2 3.5Å; F983-V987 VanDerWaalsContact CE1-CG2 3.5Å; F983-V987 HydrophobicContact CE2-CG2 4.14Å; F983-V987 HydrophobicContact CG-CG2 4.26Å; F983-V987 HydrophobicContact CZ-CG2 3.67Å; F983-V987 WeakPolarHBondContact O-CG2 3.49Å; F983-V987 PolarHBondContact O-N 2.91Å; F983-M1029 HydrophobicContact CE2-CE 4.42Å; F983-M1029 HydrophobicContact CE2-SD 4.36Å; F983-M1029 HydrophobicContact CZ-CE 4.38Å; F983-L1035 HydrophobicContact CD1-CD1 4.23Å; F983-L1035 HydrophobicContact CE1-CD1 4.27Å
984L90.3Very high86.8Confident117 Ų11742.2 Ų42.261%0.61324%0.241SC*.Hα-helixtrans-60.6-42175.5-74172.9000112C980 V987 A988C980-L984 WeakPolarHBondContact O-CB 3.37Å; C980-L984 VanDerWaalsContact O-CG 3.24Å; C980-L984 WeakPolarHBondContact O-CG 3.39Å; C980-L984 PolarHBondContact O-N 3.02Å; L984-V987 PolarHBondContact O-N 3.17Å; L984-A988 WeakPolarHBondContact O-CB 3.38Å; L984-A988 PolarHBondContact O-N 3.44Å
985L87.3Confident86.3Confident87 Ų8747.7 Ų47.746%0.45527%0.266SS..Hα-helixtrans-59.7-47.1172.8-69.8173.1000110.9L981 M982 F983 V987 A988 M989L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.27Å; M982-L985 HydrophobicContact CE-CD1 4.35Å; M982-L985 PolarHBondContact O-N 3.48Å; M982-L985 HydrophobicContact SD-CD1 4.44Å; F983-L985 VanDerWaalsContact C-N 3.33Å; F983-L985 PolarHBondContact O-N 2.87Å; L985-V987 PolarHBondContact O-N 3.42Å; L985-A988 PolarHBondContact O-N 2.9Å; L985-M989 WeakPolarHBondContact O-CB 3.32Å; L985-M989 VanDerWaalsContact O-CG 3.24Å; L985-M989 WeakPolarHBondContact O-CG 3.37Å; L985-M989 PolarHBondContact O-N 2.97Å
986N87.2Confident85.8Confident6 Ų649.8 Ų49.83%0.03228%0.275CS..Hα-helixtrans-65.5-38.8-179.7-71.5-11.7000113.3G901 S904 M982 F983 M989 F990 L1027 M1029G901-N986 VanDerWaalsContact CA-OD1 3.27Å; G901-N986 WeakPolarHBondContact CA-OD1 3.31Å; S904-N986 VanDerWaalsContact CB-OD1 3.26Å; S904-N986 WeakPolarHBondContact CB-OD1 2.94Å; S904-N986 PolarHBondContact OG-OD1 2.96Å; M982-N986 WeakPolarHBondContact O-CB 3.07Å; M982-N986 VanDerWaalsContact O-CG 3.27Å; M982-N986 PolarHBondContact O-N 3.46Å; F983-N986 PolarHBondContact O-N 3.43Å; F983-N986 VanDerWaalsContact O-N 3.13Å; N986-M989 PolarHBondContact O-N 3.28Å; N986-F990 WeakPolarHBondContact O-CB 3.32Å; N986-F990 PolarHBondContact O-N 2.75Å; N986-L1027 PolarHBondContact ND2-O 2.96Å; N986-M1029 HydrophobicContact CB-SD 4.45Å
987V88.8Confident85Confident38 Ų3849.4 Ų49.423%0.2327%0.272CS..Hα-helixtrans-62.9-49.5174.5174.20000110.2F983 L984 L985 M989 F990 I991 M1029F983-V987 HydrophobicContact CD1-CG2 3.82Å; F983-V987 HydrophobicContact CD2-CG2 4.41Å; F983-V987 HydrophobicContact CE1-CG2 3.5Å; F983-V987 VanDerWaalsContact CE1-CG2 3.5Å; F983-V987 HydrophobicContact CE2-CG2 4.14Å; F983-V987 HydrophobicContact CG-CG2 4.26Å; F983-V987 HydrophobicContact CZ-CG2 3.67Å; F983-V987 WeakPolarHBondContact O-CG2 3.49Å; F983-V987 PolarHBondContact O-N 2.91Å; L984-V987 PolarHBondContact O-N 3.17Å; L985-V987 PolarHBondContact O-N 3.42Å; V987-M989 VanDerWaalsContact C-N 3.3Å; V987-M989 PolarHBondContact O-N 2.96Å; V987-F990 PolarHBondContact O-N 3.44Å; V987-I991 HydrophobicContact CG1-CD1 4.03Å; V987-I991 WeakPolarHBondContact O-CG1 3.36Å; V987-I991 PolarHBondContact O-N 3.05Å; V987-M1029 HydrophobicContact CB-CE 4.09Å; V987-M1029 HydrophobicContact CG1-CE 4.39Å; V987-M1029 HydrophobicContact CG2-CE 3.42Å; V987-M1029 VanDerWaalsContact CG2-CE 3.42Å; V987-M1029 HydrophobicContact CG2-SD 3.94Å
988A87.2Confident84.1Confident49 Ų4951.4 Ų51.441%0.40528%0.279SS..Hα-helixtrans-58.9-44.4178.700000111.1L984 L985 I991 V992L984-A988 WeakPolarHBondContact O-CB 3.38Å; L984-A988 PolarHBondContact O-N 3.44Å; L985-A988 PolarHBondContact O-N 2.9Å; A988-I991 PolarHBondContact O-N 2.91Å; A988-V992 WeakPolarHBondContact O-CG2 3.14Å; A988-V992 PolarHBondContact O-N 3.19Å; A988-V992 VanDerWaalsContact O-N 3.14Å
989M83.6Confident82.9Confident29 Ų2953.3 Ų53.314%0.14330%0.304CS..Hα-helixtrans-67.3-39.8177.1-65-30.2-5300113.1Y908 L985 N986 V987 I991 V992 V993Y908-M989 HydrophobicContact CD2-CE 3.27Å; Y908-M989 HydrophobicContact CE2-CE 4.17Å; Y908-M989 HydrophobicContact CG-CE 3.51Å; L985-M989 WeakPolarHBondContact O-CB 3.32Å; L985-M989 VanDerWaalsContact O-CG 3.24Å; L985-M989 WeakPolarHBondContact O-CG 3.37Å; L985-M989 PolarHBondContact O-N 2.97Å; N986-M989 PolarHBondContact O-N 3.28Å; V987-M989 VanDerWaalsContact C-N 3.3Å; V987-M989 PolarHBondContact O-N 2.96Å; M989-I991 VanDerWaalsContact C-N 3.32Å; M989-I991 PolarHBondContact O-N 3.39Å; M989-V992 HydrophobicContact CE-CB 4.37Å; M989-V992 PolarHBondContact O-N 2.85Å; M989-V993 WeakPolarHBondContact O-CB 3.4Å; M989-V993 VanDerWaalsContact O-CG2 3.26Å; M989-V993 WeakPolarHBondContact O-CG2 3.48Å; M989-V993 PolarHBondContact O-N 2.74Å
990F85.1Confident81.6Confident33 Ų3361.7 Ų61.715%0.14534%0.335CS..Hα-helixtrans-59.2-43.4176.2179.7-98.9000111.4N986 V987 V993 M994 V1020 L1023 L1027 M1029N986-F990 WeakPolarHBondContact O-CB 3.32Å; N986-F990 PolarHBondContact O-N 2.75Å; V987-F990 PolarHBondContact O-N 3.44Å; F990-V993 PolarHBondContact O-N 3.3Å; F990-M994 HydrophobicContact CE1-CE 3.89Å; F990-M994 HydrophobicContact CE2-CE 4.02Å; F990-M994 HydrophobicContact CZ-CE 3.46Å; F990-M994 VanDerWaalsContact CZ-CE 3.46Å; F990-M994 VanDerWaalsContact O-CB 3.29Å; F990-M994 WeakPolarHBondContact O-CB 3.33Å; F990-M994 PolarHBondContact O-N 3.44Å; F990-V1020 HydrophobicContact CZ-CG1 4.27Å; F990-L1023 HydrophobicContact CD2-CB 4.19Å; F990-L1023 HydrophobicContact CE2-CB 3.84Å; F990-L1027 HydrophobicContact CB-CD1 3.92Å; F990-L1027 HydrophobicContact CD2-CD1 3.99Å; F990-L1027 HydrophobicContact CG-CD1 4.47Å; F990-M1029 HydrophobicContact CB-SD 4.35Å; F990-M1029 HydrophobicContact CD2-CG 4.5Å
991I85.1Confident80.1Confident90 Ų9062 Ų6246%0.46233%0.334SS..Hα-helixtrans-62.1-48.8176.4-66.1166.7000110.6V987 A988 M989 V993 M994 M995V987-I991 HydrophobicContact CG1-CD1 4.03Å; V987-I991 WeakPolarHBondContact O-CG1 3.36Å; V987-I991 PolarHBondContact O-N 3.05Å; A988-I991 PolarHBondContact O-N 2.91Å; M989-I991 VanDerWaalsContact C-N 3.32Å; M989-I991 PolarHBondContact O-N 3.39Å; I991-V993 PolarHBondContact O-N 3Å; I991-M994 PolarHBondContact O-N 2.97Å; I991-M995 HydrophobicContact CG2-CG 4.44Å; I991-M995 HydrophobicContact CG2-SD 4.26Å; I991-M995 WeakPolarHBondContact O-CG 3.08Å; I991-M995 PolarHBondContact O-N 3.29Å
992V83.1Confident78.3Confident53 Ų5360.8 Ų60.832%0.32135%0.345SS..Hα-helixtrans-60.2-45.9179.5172.20000111.3V912 A988 M989 M995 Q996V912-V992 HydrophobicContact CG2-CG1 3.47Å; V912-V992 VanDerWaalsContact CG2-CG1 3.47Å; A988-V992 WeakPolarHBondContact O-CG2 3.14Å; A988-V992 PolarHBondContact O-N 3.19Å; A988-V992 VanDerWaalsContact O-N 3.14Å; M989-V992 HydrophobicContact CE-CB 4.37Å; M989-V992 PolarHBondContact O-N 2.85Å; V992-M995 PolarHBondContact O-N 3.24Å; V992-Q996 WeakPolarHBondContact O-CG 3.11Å; V992-Q996 PolarHBondContact O-N 3.29Å
993V77.8Confident76.5Confident2 Ų269.2 Ų69.21%0.01238%0.381CS..Hα-helixtrans-64.1-41.4178.11710000110.9M907 L911 M989 F990 I991 Q996 I997 L1023M907-V993 HydrophobicContact CB-CG2 4.04Å; M907-V993 HydrophobicContact CE-CG1 4.31Å; L911-V993 HydrophobicContact CD1-CB 4.49Å; L911-V993 HydrophobicContact CD1-CG1 3.81Å; L911-V993 HydrophobicContact CD1-CG2 4.14Å; M989-V993 WeakPolarHBondContact O-CB 3.4Å; M989-V993 VanDerWaalsContact O-CG2 3.26Å; M989-V993 WeakPolarHBondContact O-CG2 3.48Å; M989-V993 PolarHBondContact O-N 2.74Å; F990-V993 PolarHBondContact O-N 3.3Å; I991-V993 PolarHBondContact O-N 3Å; V993-Q996 PolarHBondContact O-N 3.38Å; V993-I997 HydrophobicContact CG1-CD1 3.68Å; V993-I997 HydrophobicContact CG1-CG1 4.38Å; V993-I997 VanDerWaalsContact O-CG1 3.25Å; V993-I997 WeakPolarHBondContact O-CG1 3.35Å; V993-I997 PolarHBondContact O-N 3.44Å; V993-L1023 HydrophobicContact CG1-CD1 4.18Å
994M76.8Confident75Confident40 Ų4079.4 Ų79.420%0.19742%0.418CS..Hα-helixtrans-62.6-46.8176.2-166.166.675.600111.7F990 I991 Q996 I997 C998 V1020F990-M994 HydrophobicContact CE1-CE 3.89Å; F990-M994 HydrophobicContact CE2-CE 4.02Å; F990-M994 HydrophobicContact CZ-CE 3.46Å; F990-M994 VanDerWaalsContact CZ-CE 3.46Å; F990-M994 VanDerWaalsContact O-CB 3.29Å; F990-M994 WeakPolarHBondContact O-CB 3.33Å; F990-M994 PolarHBondContact O-N 3.44Å; I991-M994 PolarHBondContact O-N 2.97Å; M994-Q996 VanDerWaalsContact C-N 3.26Å; M994-Q996 PolarHBondContact O-N 3.49Å; M994-I997 PolarHBondContact O-N 2.94Å; M994-C998 PolarHBondContact O-N 3.42Å; M994-C998 PolarHBondContact O-SG 3.48Å; M994-C998 VanDerWaalsContact O-SG 3.42Å; M994-V1020 HydrophobicContact CE-CB 3.93Å; M994-V1020 HydrophobicContact CE-CG1 3.78Å; M994-V1020 HydrophobicContact CE-CG2 3.36Å; M994-V1020 HydrophobicContact SD-CG2 3.74Å
995M78.9Confident73.2Confident136 Ų13676.8 Ų76.867%0.6741%0.41SS*.Hα-helixtrans-58.3-39.3176.7-74.3-174.674.100111.8I991 V992 G999I991-M995 HydrophobicContact CG2-CG 4.44Å; I991-M995 HydrophobicContact CG2-SD 4.26Å; I991-M995 WeakPolarHBondContact O-CG 3.08Å; I991-M995 PolarHBondContact O-N 3.29Å; V992-M995 PolarHBondContact O-N 3.24Å; M995-G999 PolarHBondContact O-N 3.35Å
996Q74.3Confident71.7Confident52 Ų5281.3 Ų81.324%0.24344%0.435CS..Hα-helixtrans-72.9-35.5177.5-72.3-168.8-41.200113.8L911 V912 V992 V993 M994 G999 R1000L911-Q996 VanDerWaalsContact C-OE1 3.26Å; L911-Q996 PolarHBondContact O-NE2 3.46Å; L911-Q996 PolarHBondContact O-OE1 3.48Å; V912-Q996 VanDerWaalsContact CA-NE2 3.34Å; V912-Q996 VanDerWaalsContact CG2-CD 3.42Å; V912-Q996 VanDerWaalsContact CG2-NE2 3.28Å; V912-Q996 VanDerWaalsContact CG2-OE1 3.22Å; V992-Q996 WeakPolarHBondContact O-CG 3.11Å; V992-Q996 PolarHBondContact O-N 3.29Å; V993-Q996 PolarHBondContact O-N 3.38Å; M994-Q996 VanDerWaalsContact C-N 3.26Å; M994-Q996 PolarHBondContact O-N 3.49Å; Q996-G999 PolarHBondContact O-N 2.74Å; Q996-R1000 WeakPolarHBondContact O-CB 3.42Å; Q996-R1000 WeakPolarHBondContact O-CG 3.35Å; Q996-R1000 PolarHBondContact O-N 2.86Å
997I71.6Confident70.6Confident39 Ų3987.5 Ų87.520%0.246%0.458CS..Hα-helixtrans-66.9-45175.4-69.5167.8000109.9V993 M994 R1000 L1023V993-I997 HydrophobicContact CG1-CD1 3.68Å; V993-I997 HydrophobicContact CG1-CG1 4.38Å; V993-I997 VanDerWaalsContact O-CG1 3.25Å; V993-I997 WeakPolarHBondContact O-CG1 3.35Å; V993-I997 PolarHBondContact O-N 3.44Å; M994-I997 PolarHBondContact O-N 2.94Å; I997-R1000 PolarHBondContact O-N 3.24Å; I997-L1023 HydrophobicContact CD1-CD1 3.8Å
998C68.4Low69.8Low80 Ų8089.4 Ų89.454%0.54147%0.469SS..Hα-helixtrans-64.1-39.3173.5-67.20000112M994M994-C998 PolarHBondContact O-N 3.42Å; M994-C998 PolarHBondContact O-SG 3.48Å; M994-C998 VanDerWaalsContact O-SG 3.42Å
999G67.3Low69Low59 Ų5993.3 Ų93.361%0.60848%0.483SS*.Hα-helixtrans-70.3-27.1179.100000114.9M995 Q996M995-G999 PolarHBondContact O-N 3.35Å; Q996-G999 PolarHBondContact O-N 2.74Å
1000R63.3Low68.6Low195 Ų195101.4 Ų101.474%0.73651%0.512SS*.Hα-helixtrans-77.3-21178.9-89.1169.662.6121.1-4.4114.2Q996 I997 G1002Q996-R1000 WeakPolarHBondContact O-CB 3.42Å; Q996-R1000 WeakPolarHBondContact O-CG 3.35Å; Q996-R1000 PolarHBondContact O-N 2.86Å; I997-R1000 PolarHBondContact O-N 3.24Å; R1000-G1002 VanDerWaalsContact C-N 3.34Å; R1000-G1002 PolarHBondContact O-N 2.93Å
1001N57.4Low68Low47 Ų47104.5 Ų104.525%0.25153%0.527SS..G310 helixtrans-78.5-14.6-174.7-78.19.4000114K1003 E1012 N1016N1001-K1003 PolarHBondContact O-N 2.89Å; N1001-E1012 PolarHBondContact ND2-OE1 2.83Å; N1001-N1016 PolarHBondContact ND2-OD1 3.22Å
1002G53.9Low67.4Low71 Ų71103.1 Ų103.173%0.73252%0.518SS*.G310 helixtrans-70.83.2-176.300000117.1R1000R1000-G1002 VanDerWaalsContact C-N 3.34Å; R1000-G1002 PolarHBondContact O-N 2.93Å
1003K51.8Low66.9Low200 Ų200105 Ų10587%0.8753%0.526SS*.G310 helixtrans-132.32.9-172-91.9-178.6179.11750118.7N1001N1001-K1003 PolarHBondContact O-N 2.89Å
1004R55.2Low66.8Low244 Ų244109.8 Ų109.892%0.92155%0.551SS**  trans-175.7102.9170-114.2169.8-178.4178.10.8112.6
1005S53.1Low66.7Low63 Ų63114.6 Ų114.644%0.44157%0.567SS.*  trans-168.8116.4155.6-173.70000112.6R1007S1005-R1007 VanDerWaalsContact C-N 3.25Å; S1005-R1007 PolarHBondContact O-N 3.34Å; S1005-R1007 VanDerWaalsContact O-N 3.08Å; S1005-R1007 WeakPolarHBondContact OG-CB 3.32Å; S1005-R1007 WeakPolarHBondContact OG-CD 3.33Å; S1005-R1007 VanDerWaalsContact OG-CG 3.31Å; S1005-R1007 WeakPolarHBondContact OG-CG 3.48Å
1006N55.6Low66.6Low181 Ų181110.3 Ų110.397%0.96855%0.546SS*.  trans-76.772.2161.3-88.8-8.4000109
1007R63.7Low66.8Low136 Ų136112.6 Ų112.651%0.51356%0.56SS.*  trans-129.7152.7176.8-83.4178.5149.9135.6-6.7111.4S1005 E1011S1005-R1007 VanDerWaalsContact C-N 3.25Å; S1005-R1007 PolarHBondContact O-N 3.34Å; S1005-R1007 VanDerWaalsContact O-N 3.08Å; S1005-R1007 WeakPolarHBondContact OG-CB 3.32Å; S1005-R1007 WeakPolarHBondContact OG-CD 3.33Å; S1005-R1007 VanDerWaalsContact OG-CG 3.31Å; S1005-R1007 WeakPolarHBondContact OG-CG 3.48Å; R1007-E1011 IonicContact NE-OE2 3.92Å
1008T72.4Confident67.3Low78 Ų78116.6 Ų116.648%0.47957%0.572SS.*  trans-70.6147.1176.963.20000110.8R1010 E1011 E1012T1008-R1010 PolarHBondContact O-N 3.27Å; T1008-R1010 VanDerWaalsContact O-N 3.13Å; T1008-E1011 PolarHBondContact O-N 3.29Å; T1008-E1011 VanDerWaalsContact OG1-CG 3.32Å; T1008-E1011 WeakPolarHBondContact OG1-CG 3.48Å; T1008-E1011 PolarHBondContact OG1-OE1 3.48Å; T1008-E1012 PolarHBondContact O-N 2.96Å; T1008-E1012 VanDerWaalsContact O-N 3.11Å
1009L70.9Confident67.8Low131 Ų131114.8 Ų114.869%0.68656%0.561SS**Hα-helixtrans-52.1-37.3179.3-179.765.5000112.4E1012 I1013L1009-E1012 PolarHBondContact O-N 2.96Å; L1009-I1013 HydrophobicContact CD1-CD1 4.06Å; L1009-I1013 HydrophobicContact CD1-CG1 4.39Å; L1009-I1013 HydrophobicContact CD2-CD1 4.5Å; L1009-I1013 HydrophobicContact CG-CD1 3.84Å; L1009-I1013 WeakPolarHBondContact O-CB 3.38Å; L1009-I1013 VanDerWaalsContact O-CG1 3.25Å; L1009-I1013 WeakPolarHBondContact O-CG1 2.97Å; L1009-I1013 PolarHBondContact O-N 3.46Å
1010R74.1Confident68.6Low200 Ų200114.3 Ų114.376%0.75555%0.546SS*.Hα-helixtrans-67-40.3178.3-170.4176.8179-1790.1112.6T1008 E1012 L1014T1008-R1010 PolarHBondContact O-N 3.27Å; T1008-R1010 VanDerWaalsContact O-N 3.13Å; R1010-E1012 VanDerWaalsContact C-N 3.34Å; R1010-L1014 HydrophobicContact CG-CD1 4.16Å; R1010-L1014 WeakPolarHBondContact O-CB 3.18Å; R1010-L1014 WeakPolarHBondContact O-CG 3.37Å; R1010-L1014 PolarHBondContact O-N 2.96Å
1011E74.1Confident69.7Low97 Ų97107.3 Ų107.345%0.45353%0.525SS..Hα-helixtrans-68.2-35.4176.2-76.7172.3-147.900112.1R1007 T1008 R1015R1007-E1011 IonicContact NE-OE2 3.92Å; T1008-E1011 PolarHBondContact O-N 3.29Å; T1008-E1011 VanDerWaalsContact OG1-CG 3.32Å; T1008-E1011 WeakPolarHBondContact OG1-CG 3.48Å; T1008-E1011 PolarHBondContact OG1-OE1 3.48Å; E1011-R1015 VanDerWaalsContact O-CB 3.26Å; E1011-R1015 WeakPolarHBondContact O-CB 3.39Å; E1011-R1015 PolarHBondContact O-N 3.17Å
1012E71.7Confident71Confident61 Ų61106 Ų10629%0.28552%0.519SS..Hα-helixtrans-70.5-44.7176.8-172.8163.8-166.800111.9N1001 T1008 L1009 R1010 R1015 N1016N1001-E1012 PolarHBondContact ND2-OE1 2.83Å; T1008-E1012 PolarHBondContact O-N 2.96Å; T1008-E1012 VanDerWaalsContact O-N 3.11Å; L1009-E1012 PolarHBondContact O-N 2.96Å; R1010-E1012 VanDerWaalsContact C-N 3.34Å; E1012-R1015 PolarHBondContact O-N 3.27Å; E1012-N1016 WeakPolarHBondContact O-CB 3.22Å; E1012-N1016 VanDerWaalsContact O-CG 3.24Å; E1012-N1016 PolarHBondContact O-N 2.72Å; E1012-N1016 PolarHBondContact O-ND2 3.47Å
1013I73.3Confident72.5Confident94 Ų94103.1 Ų103.148%0.48249%0.487SS..Hα-helixtrans-60.6-46.6174.5-69.3168.5000110.8L1009 R1015 N1016 L1017L1009-I1013 HydrophobicContact CD1-CD1 4.06Å; L1009-I1013 HydrophobicContact CD1-CG1 4.39Å; L1009-I1013 HydrophobicContact CD2-CD1 4.5Å; L1009-I1013 HydrophobicContact CG-CD1 3.84Å; L1009-I1013 WeakPolarHBondContact O-CB 3.38Å; L1009-I1013 VanDerWaalsContact O-CG1 3.25Å; L1009-I1013 WeakPolarHBondContact O-CG1 2.97Å; L1009-I1013 PolarHBondContact O-N 3.46Å; I1013-R1015 VanDerWaalsContact C-N 3.33Å; I1013-R1015 PolarHBondContact O-N 3.38Å; I1013-N1016 PolarHBondContact O-N 2.96Å; I1013-L1017 VanDerWaalsContact O-CB 3.24Å; I1013-L1017 WeakPolarHBondContact O-CB 3.25Å; I1013-L1017 PolarHBondContact O-N 2.93Å
1014L74.8Confident74.3Confident102 Ų10295.1 Ų95.153%0.53446%0.455SS..Hα-helixtrans-63.5-37.9178.8-79169.1000112.5R1010 R1018R1010-L1014 HydrophobicContact CG-CD1 4.16Å; R1010-L1014 WeakPolarHBondContact O-CB 3.18Å; R1010-L1014 WeakPolarHBondContact O-CG 3.37Å; R1010-L1014 PolarHBondContact O-N 2.96Å; L1014-R1018 VanDerWaalsContact O-CB 3.24Å; L1014-R1018 WeakPolarHBondContact O-CB 3.5Å; L1014-R1018 PolarHBondContact O-N 2.98Å
1015R75.1Confident75.8Confident141 Ų14184.1 Ų84.153%0.53241%0.413SS..Hα-helixtrans-68.1-43176.2-176-178.9174.9-153.2-3.2111.8E1011 E1012 I1013 R1018 S1019E1011-R1015 VanDerWaalsContact O-CB 3.26Å; E1011-R1015 WeakPolarHBondContact O-CB 3.39Å; E1011-R1015 PolarHBondContact O-N 3.17Å; E1012-R1015 PolarHBondContact O-N 3.27Å; I1013-R1015 VanDerWaalsContact C-N 3.33Å; I1013-R1015 PolarHBondContact O-N 3.38Å; R1015-R1018 PolarHBondContact O-N 2.95Å; R1015-S1019 PolarHBondContact O-N 3.43Å
1016N76.7Confident77.5Confident45 Ų4581.3 Ų81.324%0.24139%0.393CS..Hα-helixtrans-66.6-45178.1-70.9-15.1000110.8N1001 E1012 I1013 R1018 S1019 V1020N1001-N1016 PolarHBondContact ND2-OD1 3.22Å; E1012-N1016 WeakPolarHBondContact O-CB 3.22Å; E1012-N1016 VanDerWaalsContact O-CG 3.24Å; E1012-N1016 PolarHBondContact O-N 2.72Å; E1012-N1016 PolarHBondContact O-ND2 3.47Å; I1013-N1016 PolarHBondContact O-N 2.96Å; N1016-R1018 PolarHBondContact O-N 3.45Å; N1016-S1019 WeakPolarHBondContact O-CA 3.23Å; N1016-S1019 WeakPolarHBondContact O-CB 3.44Å; N1016-S1019 PolarHBondContact O-N 2.85Å; N1016-S1019 VanDerWaalsContact O-N 3.08Å; N1016-V1020 WeakPolarHBondContact O-CG2 3.34Å; N1016-V1020 PolarHBondContact O-N 3.16Å
1017L79.1Confident79Confident101 Ų10172.7 Ų72.753%0.52935%0.348SS..Hα-helixtrans-60.8-43.6176-172.2142.8000111.7I1013 S1019 V1020 V1021I1013-L1017 VanDerWaalsContact O-CB 3.24Å; I1013-L1017 WeakPolarHBondContact O-CB 3.25Å; I1013-L1017 PolarHBondContact O-N 2.93Å; L1017-S1019 VanDerWaalsContact C-N 3.28Å; L1017-S1019 PolarHBondContact O-N 2.8Å; L1017-V1020 PolarHBondContact O-N 3.46Å; L1017-V1021 HydrophobicContact CD2-CG2 4.15Å; L1017-V1021 WeakPolarHBondContact O-CB 3.29Å; L1017-V1021 VanDerWaalsContact O-CG2 3.27Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.38Å; L1017-V1021 PolarHBondContact O-N 2.8Å
1018R81.8Confident80Confident123 Ų12366.4 Ų66.446%0.46433%0.325SS..Hα-helixtrans-59.9-38.7173.4-179.4174171.6-169.5-8.6112.2L1014 R1015 N1016 S1022 F1063 L1067L1014-R1018 VanDerWaalsContact O-CB 3.24Å; L1014-R1018 WeakPolarHBondContact O-CB 3.5Å; L1014-R1018 PolarHBondContact O-N 2.98Å; R1015-R1018 PolarHBondContact O-N 2.95Å; N1016-R1018 PolarHBondContact O-N 3.45Å; R1018-S1022 WeakPolarHBondContact O-CB 3.16Å; R1018-S1022 PolarHBondContact O-N 3.35Å; R1018-S1022 VanDerWaalsContact O-N 3.07Å; R1018-F1063 HydrophobicContact CG-CD1 4.42Å; R1018-F1063 HydrophobicContact CG-CE1 4.22Å; R1018-L1067 PolarHBondContact NH2-O 3.46Å
1019S79.7Confident80.8Confident42 Ų4264.3 Ų64.329%0.29431%0.31SS..Hα-helixtrans-68.1-42.9176-165.20000112.1R1015 N1016 L1017 S1022 L1023R1015-S1019 PolarHBondContact O-N 3.43Å; N1016-S1019 WeakPolarHBondContact O-CA 3.23Å; N1016-S1019 WeakPolarHBondContact O-CB 3.44Å; N1016-S1019 PolarHBondContact O-N 2.85Å; N1016-S1019 VanDerWaalsContact O-N 3.08Å; L1017-S1019 VanDerWaalsContact C-N 3.28Å; L1017-S1019 PolarHBondContact O-N 2.8Å; S1019-S1022 PolarHBondContact O-N 3.46Å; S1019-L1023 WeakPolarHBondContact O-CB 3.49Å; S1019-L1023 WeakPolarHBondContact O-CD1 3.48Å; S1019-L1023 VanDerWaalsContact O-CG 3.26Å; S1019-L1023 WeakPolarHBondContact O-CG 3.45Å; S1019-L1023 PolarHBondContact O-N 3.38Å
1020V84.1Confident81.7Confident49 Ų4958.4 Ų58.430%0.29728%0.279SS..Hα-helixtrans-62.3-50.71791760000110.5F990 M994 N1016 L1017 S1022 L1023 T1024F990-V1020 HydrophobicContact CZ-CG1 4.27Å; M994-V1020 HydrophobicContact CE-CB 3.93Å; M994-V1020 HydrophobicContact CE-CG1 3.78Å; M994-V1020 HydrophobicContact CE-CG2 3.36Å; M994-V1020 HydrophobicContact SD-CG2 3.74Å; N1016-V1020 WeakPolarHBondContact O-CG2 3.34Å; N1016-V1020 PolarHBondContact O-N 3.16Å; L1017-V1020 PolarHBondContact O-N 3.46Å; V1020-S1022 PolarHBondContact O-N 2.88Å; V1020-L1023 PolarHBondContact O-N 3.31Å; V1020-T1024 WeakPolarHBondContact O-CB 3.49Å; V1020-T1024 PolarHBondContact O-N 3.33Å; V1020-T1024 PolarHBondContact O-OG1 2.02Å
1021V85.3Confident82.2Confident48 Ų4849.9 Ų49.929%0.29125%0.247SC..Hα-helixtrans-61.3-46.9179.6176.30000110.4L1017 L1023 T1024 F1025 F1063L1017-V1021 HydrophobicContact CD2-CG2 4.15Å; L1017-V1021 WeakPolarHBondContact O-CB 3.29Å; L1017-V1021 VanDerWaalsContact O-CG2 3.27Å; L1017-V1021 WeakPolarHBondContact O-CG2 3.38Å; L1017-V1021 PolarHBondContact O-N 2.8Å; V1021-L1023 VanDerWaalsContact C-N 3.34Å; V1021-L1023 PolarHBondContact O-N 3.39Å; V1021-T1024 PolarHBondContact O-N 2.84Å; V1021-F1025 HydrophobicContact CG1-CD2 4.07Å; V1021-F1025 HydrophobicContact CG1-CE2 3.72Å; V1021-F1025 WeakPolarHBondContact O-CD2 3.31Å; V1021-F1025 PolarHBondContact O-N 2.8Å; V1021-F1063 HydrophobicContact CB-CZ 4.36Å; V1021-F1063 HydrophobicContact CG1-CE2 3.69Å; V1021-F1063 HydrophobicContact CG1-CZ 3.6Å
1022S84.6Confident82.7Confident19 Ų1945.4 Ų45.413%0.13323%0.227CC..Hα-helixtrans-57-44.3176.9-177.50000112.6R1018 S1019 V1020 L1026 H1064R1018-S1022 WeakPolarHBondContact O-CB 3.16Å; R1018-S1022 PolarHBondContact O-N 3.35Å; R1018-S1022 VanDerWaalsContact O-N 3.07Å; S1019-S1022 PolarHBondContact O-N 3.46Å; V1020-S1022 PolarHBondContact O-N 2.88Å; S1022-L1026 WeakPolarHBondContact O-CB 3.29Å; S1022-L1026 PolarHBondContact O-N 2.98Å; S1022-H1064 PolarHBondContact O-NE2 2.94Å; S1022-H1064 PolarHBondContact OG-CE1 3.22Å; S1022-H1064 VanDerWaalsContact OG-CE1 3.29Å; S1022-H1064 PolarHBondContact OG-NE2 3.43Å
1023L85.9Confident83.5Confident10 Ų1045.2 Ų45.25%0.05223%0.226CC..Hα-helixtrans-71.6-34.3-179.9-73.4164.6000113M907 F990 V993 I997 S1019 V1020 V1021 F1025 L1026 L1027M907-L1023 HydrophobicContact CE-CD2 3.76Å; M907-L1023 HydrophobicContact SD-CD2 3.39Å; M907-L1023 WeakPolarHBondContact SD-CD2 3.31Å; F990-L1023 HydrophobicContact CD2-CB 4.19Å; F990-L1023 HydrophobicContact CE2-CB 3.84Å; V993-L1023 HydrophobicContact CG1-CD1 4.18Å; I997-L1023 HydrophobicContact CD1-CD1 3.8Å; S1019-L1023 WeakPolarHBondContact O-CB 3.49Å; S1019-L1023 WeakPolarHBondContact O-CD1 3.48Å; S1019-L1023 VanDerWaalsContact O-CG 3.26Å; S1019-L1023 WeakPolarHBondContact O-CG 3.45Å; S1019-L1023 PolarHBondContact O-N 3.38Å; V1020-L1023 PolarHBondContact O-N 3.31Å; V1021-L1023 VanDerWaalsContact C-N 3.34Å; V1021-L1023 PolarHBondContact O-N 3.39Å; L1023-F1025 VanDerWaalsContact C-N 3.32Å; L1023-F1025 PolarHBondContact O-N 2.89Å; L1023-L1026 PolarHBondContact O-N 3.2Å; L1023-L1027 WeakPolarHBondContact O-CB 3.44Å; L1023-L1027 WeakPolarHBondContact O-CG 3.47Å; L1023-L1027 PolarHBondContact O-N 3.38Å
1024T88.6Confident83.9Confident32 Ų3242.9 Ų42.920%0.19622%0.221CC..Hα-helixtrans-58.9-43.9179.5-58.50000111.1V1020 V1021 G1028 M1029 T1030V1020-T1024 WeakPolarHBondContact O-CB 3.49Å; V1020-T1024 PolarHBondContact O-N 3.33Å; V1020-T1024 PolarHBondContact O-OG1 2.02Å; V1021-T1024 PolarHBondContact O-N 2.84Å; T1024-G1028 PolarHBondContact O-N 3.24Å; T1024-M1029 HydrophobicContact CG2-CB 3.82Å; T1024-M1029 PolarHBondContact O-N 3.03Å; T1024-T1030 HydrophobicContact CG2-CG2 4.23Å
1025F88.3Confident84.2Confident13 Ų1341.4 Ų41.46%0.05721%0.213CC..Hα-helixtrans-77.7-34.6177.9-68.4-69.2000113.6V1021 L1023 G1028 T1030 F1052 Q1056 F1059 F1063V1021-F1025 HydrophobicContact CG1-CD2 4.07Å; V1021-F1025 HydrophobicContact CG1-CE2 3.72Å; V1021-F1025 WeakPolarHBondContact O-CD2 3.31Å; V1021-F1025 PolarHBondContact O-N 2.8Å; L1023-F1025 VanDerWaalsContact C-N 3.32Å; L1023-F1025 PolarHBondContact O-N 2.89Å; F1025-G1028 PolarHBondContact O-N 3.41Å; F1025-T1030 HydrophobicContact CD1-CG2 3.95Å; F1025-T1030 HydrophobicContact CE1-CG2 3.66Å; F1025-T1030 HydrophobicContact CZ-CG2 4.41Å; F1025-F1052 HydrophobicContact CE1-CB 4.45Å; F1025-F1052 AromaticContact CE1-CD1 3.6Å; F1025-F1052 HydrophobicContact CE1-CD1 3.6Å; F1025-F1052 HydrophobicContact CE1-CE1 4.27Å; F1025-F1052 HydrophobicContact CE1-CG 4.38Å; F1025-F1052 AromaticContact CZ-CD1 3.66Å; F1025-F1052 HydrophobicContact CZ-CD1 3.66Å; F1025-F1052 AromaticContact CZ-CE1 3.85Å; F1025-F1052 HydrophobicContact CZ-CE1 3.85Å; F1025-Q1056 PolarHBondContact O-NE2 3.45Å; F1025-F1059 HydrophobicContact CB-CB 4.02Å; F1025-F1059 HydrophobicContact CD1-CB 3.91Å; F1025-F1059 AromaticContact CD1-CD2 3.67Å; F1025-F1059 HydrophobicContact CD1-CD2 3.67Å; F1025-F1059 HydrophobicContact CD1-CE2 4.42Å; F1025-F1059 AromaticContact CD1-CG 3.91Å; F1025-F1059 HydrophobicContact CD1-CG 3.91Å; F1025-F1059 HydrophobicContact CD2-CB 3.79Å; F1025-F1059 HydrophobicContact CD2-CD1 4.19Å; F1025-F1059 HydrophobicContact CD2-CD2 4.4Å; F1025-F1059 AromaticContact CD2-CG 3.88Å; F1025-F1059 HydrophobicContact CD2-CG 3.88Å; F1025-F1059 HydrophobicContact CE1-CB 4.32Å; F1025-F1059 HydrophobicContact CE1-CD1 4.48Å; F1025-F1059 AromaticContact CE1-CD2 3.32Å; F1025-F1059 HydrophobicContact CE1-CD2 3.32Å; F1025-F1059 AromaticContact CE1-CE2 3.63Å; F1025-F1059 HydrophobicContact CE1-CE2 3.63Å; F1025-F1059 AromaticContact CE1-CG 3.8Å; F1025-F1059 HydrophobicContact CE1-CG 3.8Å; F1025-F1059 HydrophobicContact CE1-CZ 4.34Å; F1025-F1059 HydrophobicContact CE2-CB 4.22Å; F1025-F1059 AromaticContact CE2-CD1 3.81Å; F1025-F1059 HydrophobicContact CE2-CD1 3.81Å; F1025-F1059 HydrophobicContact CE2-CD2 4.12Å; F1025-F1059 HydrophobicContact CE2-CE1 4.16Å; F1025-F1059 HydrophobicContact CE2-CE2 4.45Å; F1025-F1059 AromaticContact CE2-CG 3.79Å; F1025-F1059 HydrophobicContact CE2-CG 3.79Å; F1025-F1059 HydrophobicContact CE2-CZ 4.47Å; F1025-F1059 HydrophobicContact CG-CB 3.63Å; F1025-F1059 HydrophobicContact CG-CD2 4.21Å; F1025-F1059 AromaticContact CG-CG 3.96Å; F1025-F1059 HydrophobicContact CG-CG 3.96Å; F1025-F1059 HydrophobicContact CZ-CB 4.48Å; F1025-F1059 AromaticContact CZ-CD1 3.98Å; F1025-F1059 HydrophobicContact CZ-CD1 3.98Å; F1025-F1059 AromaticContact CZ-CD2 3.59Å; F1025-F1059 HydrophobicContact CZ-CD2 3.59Å; F1025-F1059 HydrophobicContact CZ-CE1 4.05Å; F1025-F1059 AromaticContact CZ-CE2 3.66Å; F1025-F1059 HydrophobicContact CZ-CE2 3.66Å; F1025-F1059 AromaticContact CZ-CG 3.76Å; F1025-F1059 HydrophobicContact CZ-CG 3.76Å; F1025-F1059 AromaticContact CZ-CZ 3.89Å; F1025-F1059 HydrophobicContact CZ-CZ 3.89Å; F1025-F1063 HydrophobicContact CD2-CE2 4.49Å
1026L87.1Confident84.5Confident4 Ų440 Ų402%0.02121%0.211CC..Hα-helixtrans-65.6-39.3178.4-173.470.2000112.1L852 L855 E903 S1022 L1023L852-L1026 HydrophobicContact CD1-CD1 4.03Å; L855-L1026 HydrophobicContact CD2-CD1 4.45Å; E903-L1026 HydrophobicContact CG-CD1 4.37Å; E903-L1026 HydrophobicContact CG-CD2 3.87Å; E903-L1026 HydrophobicContact CG-CG 3.97Å; S1022-L1026 WeakPolarHBondContact O-CB 3.29Å; S1022-L1026 PolarHBondContact O-N 2.98Å; L1023-L1026 PolarHBondContact O-N 3.2Å
1027L88.8Confident84.4Confident1 Ų138.9 Ų38.91%0.00521%0.208CC..THydrogen-bonded Turntrans-90.90.6-178.8-59.2-172.6000113.9E903 N986 F990 L1023 M1029E903-L1027 HydrophobicContact CG-CD2 4.42Å; N986-L1027 PolarHBondContact ND2-O 2.96Å; F990-L1027 HydrophobicContact CB-CD1 3.92Å; F990-L1027 HydrophobicContact CD2-CD1 3.99Å; F990-L1027 HydrophobicContact CG-CD1 4.47Å; L1023-L1027 WeakPolarHBondContact O-CB 3.44Å; L1023-L1027 WeakPolarHBondContact O-CG 3.47Å; L1023-L1027 PolarHBondContact O-N 3.38Å; L1027-M1029 HydrophobicContact CB-CG 4.3Å
1028G84.9Confident84Confident3 Ų342.9 Ų42.93%0.03122%0.216CC..THydrogen-bonded Turntrans72.126.4176.900000114.8M900 T1024 F1025 T1030 W1031M900-G1028 VanDerWaalsContact SD-CA 3.57Å; T1024-G1028 PolarHBondContact O-N 3.24Å; F1025-G1028 PolarHBondContact O-N 3.41Å; G1028-T1030 PolarHBondContact O-N 3.31Å; G1028-W1031 WeakPolarHBondContact O-CB 3.29Å; G1028-W1031 PolarHBondContact O-N 2.98Å
1029M87.9Confident83.4Confident35 Ų3539 Ų3917%0.17221%0.214CC..G310 helixtrans-64.7-24.1-176.3-63.7-64-63.100113F983 N986 V987 F990 T1024 L1027 W1031 G1032F983-M1029 HydrophobicContact CE2-CE 4.42Å; F983-M1029 HydrophobicContact CE2-SD 4.36Å; F983-M1029 HydrophobicContact CZ-CE 4.38Å; N986-M1029 HydrophobicContact CB-SD 4.45Å; V987-M1029 HydrophobicContact CB-CE 4.09Å; V987-M1029 HydrophobicContact CG1-CE 4.39Å; V987-M1029 HydrophobicContact CG2-CE 3.42Å; V987-M1029 VanDerWaalsContact CG2-CE 3.42Å; V987-M1029 HydrophobicContact CG2-SD 3.94Å; F990-M1029 HydrophobicContact CB-SD 4.35Å; F990-M1029 HydrophobicContact CD2-CG 4.5Å; T1024-M1029 HydrophobicContact CG2-CB 3.82Å; T1024-M1029 PolarHBondContact O-N 3.03Å; L1027-M1029 HydrophobicContact CB-CG 4.3Å; M1029-W1031 PolarHBondContact O-N 3.38Å; M1029-G1032 PolarHBondContact O-N 3.45Å; M1029-G1032 VanDerWaalsContact O-N 3.11Å
1030T89.6Confident82.9Confident7 Ų742.9 Ų42.94%0.04324%0.238CC..G310 helixtrans-67.8-19.217851.80000113.7T1024 F1025 G1028 G1032 F1033 F1052T1024-T1030 HydrophobicContact CG2-CG2 4.23Å; F1025-T1030 HydrophobicContact CD1-CG2 3.95Å; F1025-T1030 HydrophobicContact CE1-CG2 3.66Å; F1025-T1030 HydrophobicContact CZ-CG2 4.41Å; G1028-T1030 PolarHBondContact O-N 3.31Å; T1030-G1032 PolarHBondContact O-N 2.86Å; T1030-F1033 HydrophobicContact CG2-CE2 4.31Å; T1030-F1033 WeakPolarHBondContact O-CD2 3.39Å; T1030-F1033 PolarHBondContact O-N 3.24Å; T1030-F1052 HydrophobicContact CG2-CB 3.96Å; T1030-F1052 HydrophobicContact CG2-CD1 4.47Å; T1030-F1052 HydrophobicContact CG2-CG 4.18Å
1031W85.9Confident82.5Confident20 Ų2043.6 Ų43.68%0.07624%0.243CC..G310 helixtrans-66.3-19.9172-73.882.3000112.5L893 F897 F979 G1028 M1029 F1033 A1034 F1049 N1053L893-W1031 HydrophobicContact CD1-CH2 3.31Å; L893-W1031 HydrophobicContact CD1-CZ2 4.09Å; L893-W1031 HydrophobicContact CD1-CZ3 3.8Å; F897-W1031 AromaticContact CE1-CD2 3.49Å; F897-W1031 HydrophobicContact CE1-CD2 3.49Å; F897-W1031 VanDerWaalsContact CE1-CD2 3.49Å; F897-W1031 AromaticContact CE1-CE2 3.69Å; F897-W1031 AromaticContact CE1-CE3 3.7Å; F897-W1031 HydrophobicContact CE1-CE3 3.7Å; F897-W1031 AromaticContact CE1-CG 3.89Å; F897-W1031 HydrophobicContact CE1-CG 3.89Å; F897-W1031 HydrophobicContact CE1-CH2 4.27Å; F897-W1031 HydrophobicContact CE1-CZ2 4.06Å; F897-W1031 HydrophobicContact CE1-CZ3 4.1Å; F897-W1031 AromaticContact CZ-CD2 3.85Å; F897-W1031 HydrophobicContact CZ-CD2 3.85Å; F897-W1031 AromaticContact CZ-CE3 3.51Å; F897-W1031 HydrophobicContact CZ-CE3 3.51Å; F897-W1031 HydrophobicContact CZ-CH2 4.04Å; F897-W1031 HydrophobicContact CZ-CZ2 4.3Å; F897-W1031 AromaticContact CZ-CZ3 3.64Å; F897-W1031 HydrophobicContact CZ-CZ3 3.64Å; F979-W1031 HydrophobicContact CD2-CB 4.47Å; F979-W1031 HydrophobicContact CE2-CB 3.39Å; F979-W1031 HydrophobicContact CE2-CG 4.26Å; F979-W1031 HydrophobicContact CZ-CB 3.67Å; G1028-W1031 WeakPolarHBondContact O-CB 3.29Å; G1028-W1031 PolarHBondContact O-N 2.98Å; M1029-W1031 PolarHBondContact O-N 3.38Å; W1031-F1033 PolarHBondContact O-N 3.41Å; W1031-F1033 VanDerWaalsContact O-N 3.16Å; W1031-A1034 WeakPolarHBondContact O-CB 3.42Å; W1031-A1034 PolarHBondContact O-N 2.97Å; W1031-F1049 HydrophobicContact CD2-CE2 4.16Å; W1031-F1049 AromaticContact CE3-CE2 3.57Å; W1031-F1049 HydrophobicContact CE3-CE2 3.57Å; W1031-F1049 AromaticContact CE3-CZ 3.93Å; W1031-F1049 HydrophobicContact CE3-CZ 3.93Å; W1031-F1049 AromaticContact CZ3-CE2 3.97Å; W1031-F1049 HydrophobicContact CZ3-CE2 3.97Å; W1031-F1049 AromaticContact CZ3-CZ 3.83Å; W1031-F1049 HydrophobicContact CZ3-CZ 3.83Å; W1031-N1053 WeakPolarHBondContact CH2-ND2 3.48Å; W1031-N1053 WeakPolarHBondContact CH2-OD1 3.32Å; W1031-N1053 WeakPolarHBondContact CZ2-OD1 3.48Å; W1031-N1053 PolarHBondContact NE1-OD1 3.48Å
1032G84Confident82.2Confident4 Ų444.4 Ų44.44%0.04124%0.241CC..G310 helixtrans-59.3-22.9173.600000113.7M1029 T1030 A1034 L1035 F1036M1029-G1032 PolarHBondContact O-N 3.45Å; M1029-G1032 VanDerWaalsContact O-N 3.11Å; T1030-G1032 PolarHBondContact O-N 2.86Å; G1032-A1034 PolarHBondContact O-N 3.45Å; G1032-L1035 WeakPolarHBondContact O-CB 3.03Å; G1032-L1035 PolarHBondContact O-N 3.33Å; G1032-F1036 WeakPolarHBondContact O-CD2 2.89Å
1033F89.3Confident82Confident56 Ų5645.5 Ų45.525%0.24625%0.245CC..G310 helixtrans-60.6-26.6174.3-64.2-44.6000112.8T1030 W1031 L1035 F1036 A1037 F1045 L1048 F1049 F1052T1030-F1033 HydrophobicContact CG2-CE2 4.31Å; T1030-F1033 WeakPolarHBondContact O-CD2 3.39Å; T1030-F1033 PolarHBondContact O-N 3.24Å; W1031-F1033 PolarHBondContact O-N 3.41Å; W1031-F1033 VanDerWaalsContact O-N 3.16Å; F1033-L1035 VanDerWaalsContact C-N 3.3Å; F1033-L1035 PolarHBondContact O-N 2.9Å; F1033-F1036 PolarHBondContact O-N 2.93Å; F1033-A1037 PolarHBondContact O-N 3.46Å; F1033-F1045 HydrophobicContact CB-CD1 4.3Å; F1033-F1045 AromaticContact CD1-CD1 3.82Å; F1033-F1045 HydrophobicContact CD1-CD1 3.82Å; F1033-F1045 AromaticContact CD1-CE1 3.93Å; F1033-F1045 HydrophobicContact CD1-CE1 3.93Å; F1033-F1045 HydrophobicContact CE1-CE1 4.44Å; F1033-F1045 HydrophobicContact CG-CD1 4.43Å; F1033-L1048 HydrophobicContact CD2-CB 4.1Å; F1033-L1048 HydrophobicContact CE2-CB 4.44Å; F1033-L1048 HydrophobicContact CG-CB 4.24Å; F1033-F1049 HydrophobicContact CB-CB 3.96Å; F1033-F1052 HydrophobicContact CD2-CD2 4.01Å; F1033-F1052 AromaticContact CE2-CD2 3.47Å; F1033-F1052 HydrophobicContact CE2-CD2 3.47Å; F1033-F1052 VanDerWaalsContact CE2-CD2 3.47Å; F1033-F1052 AromaticContact CE2-CE2 3.89Å; F1033-F1052 HydrophobicContact CE2-CE2 3.89Å; F1033-F1052 HydrophobicContact CE2-CG 4.3Å; F1033-F1052 HydrophobicContact CZ-CD2 4.45Å; F1033-F1052 HydrophobicContact CZ-CE2 4.46Å
1034A81.4Confident81.9Confident46 Ų4649.2 Ų49.238%0.3827%0.269SS..G310 helixtrans-66.5-28.7174.200000113.1W1031 G1032 F1049W1031-A1034 WeakPolarHBondContact O-CB 3.42Å; W1031-A1034 PolarHBondContact O-N 2.97Å; G1032-A1034 PolarHBondContact O-N 3.45Å; A1034-F1049 HydrophobicContact CB-CD2 3.82Å; A1034-F1049 HydrophobicContact CB-CE2 3.86Å; A1034-F1049 HydrophobicContact CB-CG 4.32Å; A1034-F1049 HydrophobicContact CB-CZ 4.39Å
1035L80.8Confident81.8Confident70 Ų7050.1 Ų50.137%0.36627%0.27SS..THydrogen-bonded Turntrans-75.5-28.2177.2-66.2174.7000112.7F979 F983 G1032 F1033F979-L1035 HydrophobicContact CE1-CD1 3.93Å; F979-L1035 HydrophobicContact CE1-CD2 4.19Å; F979-L1035 HydrophobicContact CE1-CG 3.89Å; F983-L1035 HydrophobicContact CD1-CD1 4.23Å; F983-L1035 HydrophobicContact CE1-CD1 4.27Å; G1032-L1035 WeakPolarHBondContact O-CB 3.03Å; G1032-L1035 PolarHBondContact O-N 3.33Å; F1033-L1035 VanDerWaalsContact C-N 3.3Å; F1033-L1035 PolarHBondContact O-N 2.9Å
1036F80.1Confident81.5Confident112 Ų11250.2 Ų50.249%0.49127%0.272SS..SBendtrans-91.7-1.8-180-61.2-69.1000112.9G1032 F1033 W1038 F1045G1032-F1036 WeakPolarHBondContact O-CD2 2.89Å; F1033-F1036 PolarHBondContact O-N 2.93Å; F1036-W1038 VanDerWaalsContact C-N 3.25Å; F1036-W1038 PolarHBondContact O-N 3.35Å; F1036-F1045 HydrophobicContact CB-CD1 3.81Å; F1036-F1045 HydrophobicContact CB-CD2 4.15Å; F1036-F1045 HydrophobicContact CB-CE1 3.83Å; F1036-F1045 HydrophobicContact CB-CE2 4.18Å; F1036-F1045 HydrophobicContact CB-CG 3.98Å; F1036-F1045 HydrophobicContact CB-CZ 4.03Å; F1036-F1045 WeakPolarHBondContact O-CD2 3.37Å
1037A76.2Confident81.6Confident22 Ų2252.2 Ų52.218%0.18228%0.279CS..  trans-78.671.5173.400000110.8F1033 Y1042 F1045F1033-A1037 PolarHBondContact O-N 3.46Å; A1037-Y1042 HydrophobicContact CB-CD2 4.12Å; A1037-Y1042 HydrophobicContact CB-CE2 4.34Å; A1037-Y1042 VanDerWaalsContact O-CD2 3.22Å; A1037-Y1042 WeakPolarHBondContact O-CD2 3.29Å; A1037-F1045 HydrophobicContact CB-CB 3.99Å
1038W69.7Low81.7Confident184 Ų18455 Ų5570%0.69729%0.294SS*.  trans-144.5154.717265-75.2000111.2F1036 V1041F1036-W1038 VanDerWaalsContact C-N 3.25Å; F1036-W1038 PolarHBondContact O-N 3.35Å; W1038-V1041 WeakPolarHBondContact O-CG2 3.13Å
1039G68.5Low81.9Confident41 Ų4157.1 Ų57.142%0.42330%0.302SS..G310 helixtrans63.9-146.8178.300000113.9V1041 Y1042G1039-V1041 PolarHBondContact O-N 3.48Å; G1039-Y1042 VanDerWaalsContact O-CB 3.26Å; G1039-Y1042 WeakPolarHBondContact O-CB 3.48Å; G1039-Y1042 PolarHBondContact O-N 2.99Å
1040P69.6Low81.9Confident124 Ų12456 Ų5681%0.80530%0.298SS*.G310 helixtrans-69.6-14.1-171.428.3-35.1000114.2
1041V77.1Confident82Confident65 Ų6558.8 Ų58.839%0.39431%0.311SS..G310 helixtrans-97.43.6179.6-64.20000113.1W1038 G1039 L1043 T1044 F1045W1038-V1041 WeakPolarHBondContact O-CG2 3.13Å; G1039-V1041 PolarHBondContact O-N 3.48Å; V1041-L1043 VanDerWaalsContact C-N 3.35Å; V1041-L1043 PolarHBondContact O-N 3.27Å; V1041-T1044 PolarHBondContact O-N 3.35Å; V1041-F1045 HydrophobicContact CB-CD2 3.76Å; V1041-F1045 HydrophobicContact CB-CE2 3.88Å; V1041-F1045 HydrophobicContact CG2-CD2 3.72Å; V1041-F1045 HydrophobicContact CG2-CE2 3.82Å; V1041-F1045 WeakPolarHBondContact O-CD2 3.2Å; V1041-F1045 PolarHBondContact O-N 3Å; V1041-F1045 VanDerWaalsContact O-N 3.14Å
1042Y77.4Confident82.2Confident64 Ų6460.5 Ų60.525%0.25132%0.32SS..Hα-helixtrans-51.3-48.5-176.5178.3-94.5000113.2F805 I807 A1037 G1039 F1045 T1046F805-Y1042 HydrophobicContact CB-CD1 3.79Å; F805-Y1042 HydrophobicContact CB-CE1 4.49Å; F805-Y1042 HydrophobicContact CB-CG 4.13Å; F805-Y1042 HydrophobicContact CD1-CD1 4.13Å; F805-Y1042 HydrophobicContact CG-CD1 4.34Å; I807-Y1042 HydrophobicContact CD1-CE1 3.88Å; I807-Y1042 HydrophobicContact CG1-CE1 3.89Å; A1037-Y1042 HydrophobicContact CB-CD2 4.12Å; A1037-Y1042 HydrophobicContact CB-CE2 4.34Å; A1037-Y1042 VanDerWaalsContact O-CD2 3.22Å; A1037-Y1042 WeakPolarHBondContact O-CD2 3.29Å; G1039-Y1042 VanDerWaalsContact O-CB 3.26Å; G1039-Y1042 WeakPolarHBondContact O-CB 3.48Å; G1039-Y1042 PolarHBondContact O-N 2.99Å; Y1042-F1045 PolarHBondContact O-N 3.46Å; Y1042-T1046 VanDerWaalsContact O-CB 3.27Å; Y1042-T1046 WeakPolarHBondContact O-CB 3.45Å; Y1042-T1046 PolarHBondContact O-N 3.5Å; Y1042-T1046 PolarHBondContact O-OG1 2.97Å
1043L80.6Confident82.3Confident43 Ų4362.1 Ų62.123%0.22533%0.327CS..Hα-helixtrans-62.1-48.9-176.4-171.267000111.3F805 I807 N811 V1041 F1045 T1046 Y1047F805-L1043 HydrophobicContact CD1-CB 4.33Å; F805-L1043 HydrophobicContact CE1-CB 3.91Å; F805-L1043 HydrophobicContact CE1-CD2 4.4Å; I807-L1043 HydrophobicContact CG1-CD1 4.04Å; I807-L1043 HydrophobicContact CG2-CD1 4.17Å; N811-L1043 HydrophobicContact CB-CD1 4.48Å; V1041-L1043 VanDerWaalsContact C-N 3.35Å; V1041-L1043 PolarHBondContact O-N 3.27Å; L1043-F1045 PolarHBondContact O-N 2.93Å; L1043-T1046 PolarHBondContact O-N 2.97Å; L1043-Y1047 HydrophobicContact CD1-CD2 4.18Å; L1043-Y1047 HydrophobicContact CD1-CE2 3.7Å; L1043-Y1047 HydrophobicContact CG-CD2 4.07Å; L1043-Y1047 HydrophobicContact CG-CE2 3.88Å; L1043-Y1047 VanDerWaalsContact O-CD2 3.27Å; L1043-Y1047 WeakPolarHBondContact O-CD2 2.99Å; L1043-Y1047 PolarHBondContact O-N 3Å
1044T84.4Confident82.3Confident88 Ų8859.7 Ų59.754%0.5432%0.317SS..Hα-helixtrans-60.6-48.6-179.3-52.30000111.7V1041 T1046 Y1047 L1048V1041-T1044 PolarHBondContact O-N 3.35Å; T1044-T1046 VanDerWaalsContact C-N 3.32Å; T1044-T1046 PolarHBondContact O-N 3.37Å; T1044-Y1047 PolarHBondContact O-N 3.49Å; T1044-L1048 HydrophobicContact CG2-CD1 4.3Å; T1044-L1048 WeakPolarHBondContact O-CG 3.4Å; T1044-L1048 PolarHBondContact O-N 3.4Å; T1044-L1048 VanDerWaalsContact O-N 3.08Å
1045F85.6Confident82.8Confident51 Ų5159.3 Ų59.322%0.22431%0.308CS..Hα-helixtrans-69.6-29.7-180-79.9-73.9000112.9F1033 F1036 A1037 V1041 Y1042 L1043 L1048 F1049F1033-F1045 HydrophobicContact CB-CD1 4.3Å; F1033-F1045 AromaticContact CD1-CD1 3.82Å; F1033-F1045 HydrophobicContact CD1-CD1 3.82Å; F1033-F1045 AromaticContact CD1-CE1 3.93Å; F1033-F1045 HydrophobicContact CD1-CE1 3.93Å; F1033-F1045 HydrophobicContact CE1-CE1 4.44Å; F1033-F1045 HydrophobicContact CG-CD1 4.43Å; F1036-F1045 HydrophobicContact CB-CD1 3.81Å; F1036-F1045 HydrophobicContact CB-CD2 4.15Å; F1036-F1045 HydrophobicContact CB-CE1 3.83Å; F1036-F1045 HydrophobicContact CB-CE2 4.18Å; F1036-F1045 HydrophobicContact CB-CG 3.98Å; F1036-F1045 HydrophobicContact CB-CZ 4.03Å; F1036-F1045 WeakPolarHBondContact O-CD2 3.37Å; A1037-F1045 HydrophobicContact CB-CB 3.99Å; V1041-F1045 HydrophobicContact CB-CD2 3.76Å; V1041-F1045 HydrophobicContact CB-CE2 3.88Å; V1041-F1045 HydrophobicContact CG2-CD2 3.72Å; V1041-F1045 HydrophobicContact CG2-CE2 3.82Å; V1041-F1045 WeakPolarHBondContact O-CD2 3.2Å; V1041-F1045 PolarHBondContact O-N 3Å; V1041-F1045 VanDerWaalsContact O-N 3.14Å; Y1042-F1045 PolarHBondContact O-N 3.46Å; L1043-F1045 PolarHBondContact O-N 2.93Å; F1045-L1048 HydrophobicContact CD1-CD1 4.36Å; F1045-L1048 PolarHBondContact O-N 3.48Å; F1045-F1049 WeakPolarHBondContact O-CB 3.36Å; F1045-F1049 PolarHBondContact O-N 3Å
1046T82.9Confident83.3Confident15 Ų1556 Ų569%0.09229%0.291CS..Hα-helixtrans-66.1-42.8173-61.50000112I807 L815 Y1042 L1043 T1044 F1049 T1050I807-T1046 HydrophobicContact CD1-CG2 3.98Å; L815-T1046 HydrophobicContact CD1-CG2 4.38Å; L815-T1046 HydrophobicContact CD2-CG2 3.56Å; Y1042-T1046 VanDerWaalsContact O-CB 3.27Å; Y1042-T1046 WeakPolarHBondContact O-CB 3.45Å; Y1042-T1046 PolarHBondContact O-N 3.5Å; Y1042-T1046 PolarHBondContact O-OG1 2.97Å; L1043-T1046 PolarHBondContact O-N 2.97Å; T1044-T1046 VanDerWaalsContact C-N 3.32Å; T1044-T1046 PolarHBondContact O-N 3.37Å; T1046-F1049 PolarHBondContact O-N 3.18Å; T1046-T1050 WeakPolarHBondContact O-CB 2.98Å; T1046-T1050 PolarHBondContact O-N 3.38Å; T1046-T1050 PolarHBondContact O-OG1 2.84Å; T1046-T1050 VanDerWaalsContact O-OG1 3.1Å
1047Y89.4Confident83.8Confident46 Ų4650.7 Ų50.718%0.1827%0.268CS..Hα-helixtrans-62.9-46.2173.7-87-74.7000112.5N811 V814 L815 L818 L1043 T1044 T1050 I1051N811-Y1047 WeakPolarHBondContact CA-OH 3.37Å; N811-Y1047 VanDerWaalsContact CB-OH 3.3Å; N811-Y1047 WeakPolarHBondContact CB-OH 3.49Å; N811-Y1047 PolarHBondContact O-OH 3.29Å; N811-Y1047 PolarHBondContact OD1-OH 3.07Å; V814-Y1047 HydrophobicContact CG1-CE1 4.02Å; L815-Y1047 HydrophobicContact CD1-CD1 3.95Å; L815-Y1047 HydrophobicContact CD1-CE1 4.1Å; L815-Y1047 HydrophobicContact CD1-CG 4.44Å; L818-Y1047 HydrophobicContact CD1-CD1 3.9Å; L818-Y1047 HydrophobicContact CD1-CE1 3.93Å; L1043-Y1047 HydrophobicContact CD1-CD2 4.18Å; L1043-Y1047 HydrophobicContact CD1-CE2 3.7Å; L1043-Y1047 HydrophobicContact CG-CD2 4.07Å; L1043-Y1047 HydrophobicContact CG-CE2 3.88Å; L1043-Y1047 VanDerWaalsContact O-CD2 3.27Å; L1043-Y1047 WeakPolarHBondContact O-CD2 2.99Å; L1043-Y1047 PolarHBondContact O-N 3Å; T1044-Y1047 PolarHBondContact O-N 3.49Å; Y1047-T1050 PolarHBondContact O-N 3.11Å; Y1047-I1051 WeakPolarHBondContact O-CB 3.35Å; Y1047-I1051 WeakPolarHBondContact O-CD1 3.32Å; Y1047-I1051 VanDerWaalsContact O-CG1 3.25Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.33Å; Y1047-I1051 PolarHBondContact O-N 2.95Å
1048L90.3Very high84.6Confident59 Ų5951.7 Ų51.731%0.30927%0.27SS..Hα-helixtrans-61.1-46.3177.8-68.5172000111F1033 T1044 F1045 I1051 F1052F1033-L1048 HydrophobicContact CD2-CB 4.1Å; F1033-L1048 HydrophobicContact CE2-CB 4.44Å; F1033-L1048 HydrophobicContact CG-CB 4.24Å; T1044-L1048 HydrophobicContact CG2-CD1 4.3Å; T1044-L1048 WeakPolarHBondContact O-CG 3.4Å; T1044-L1048 PolarHBondContact O-N 3.4Å; T1044-L1048 VanDerWaalsContact O-N 3.08Å; F1045-L1048 HydrophobicContact CD1-CD1 4.36Å; F1045-L1048 PolarHBondContact O-N 3.48Å; L1048-I1051 PolarHBondContact O-N 3.32Å; L1048-F1052 HydrophobicContact CB-CD2 4.43Å; L1048-F1052 HydrophobicContact CD2-CE2 4Å; L1048-F1052 WeakPolarHBondContact O-CB 3.42Å; L1048-F1052 WeakPolarHBondContact O-CD2 3.34Å; L1048-F1052 PolarHBondContact O-N 2.9Å
1049F89.3Confident85.7Confident47 Ų4744.9 Ų44.921%0.20625%0.245CC..Hα-helixtrans-55.7-54.3175.1172.5-107000111.1W1031 F1033 A1034 F1045 T1046 I1051 F1052 N1053W1031-F1049 HydrophobicContact CD2-CE2 4.16Å; W1031-F1049 AromaticContact CE3-CE2 3.57Å; W1031-F1049 HydrophobicContact CE3-CE2 3.57Å; W1031-F1049 AromaticContact CE3-CZ 3.93Å; W1031-F1049 HydrophobicContact CE3-CZ 3.93Å; W1031-F1049 AromaticContact CZ3-CE2 3.97Å; W1031-F1049 HydrophobicContact CZ3-CE2 3.97Å; W1031-F1049 AromaticContact CZ3-CZ 3.83Å; W1031-F1049 HydrophobicContact CZ3-CZ 3.83Å; F1033-F1049 HydrophobicContact CB-CB 3.96Å; A1034-F1049 HydrophobicContact CB-CD2 3.82Å; A1034-F1049 HydrophobicContact CB-CE2 3.86Å; A1034-F1049 HydrophobicContact CB-CG 4.32Å; A1034-F1049 HydrophobicContact CB-CZ 4.39Å; F1045-F1049 WeakPolarHBondContact O-CB 3.36Å; F1045-F1049 PolarHBondContact O-N 3Å; T1046-F1049 PolarHBondContact O-N 3.18Å; F1049-I1051 PolarHBondContact O-N 3.4Å; F1049-F1052 PolarHBondContact O-N 3.44Å; F1049-N1053 HydrophobicContact CD2-CB 4.43Å; F1049-N1053 HydrophobicContact CE2-CB 4.19Å; F1049-N1053 HydrophobicContact CZ-CB 4.39Å; F1049-N1053 WeakPolarHBondContact O-CB 3.27Å; F1049-N1053 PolarHBondContact O-N 2.79Å
1050T88.4Confident86.8Confident13 Ų1343 Ų438%0.0823%0.226CC..Hα-helixtrans-60.9-44.8-177.6-65.40000112.5L815 L818 S819 T1046 Y1047 S1054L815-T1050 VanDerWaalsContact CD1-CB 3.48Å; L815-T1050 HydrophobicContact CD1-CG2 3.64Å; L815-T1050 WeakPolarHBondContact CD1-OG1 3.5Å; L815-T1050 HydrophobicContact CG-CG2 4.01Å; L818-T1050 HydrophobicContact CB-CG2 4.21Å; S819-T1050 WeakPolarHBondContact OG-CG2 3.42Å; T1046-T1050 WeakPolarHBondContact O-CB 2.98Å; T1046-T1050 PolarHBondContact O-N 3.38Å; T1046-T1050 PolarHBondContact O-OG1 2.84Å; T1046-T1050 VanDerWaalsContact O-OG1 3.1Å; Y1047-T1050 PolarHBondContact O-N 3.11Å; T1050-S1054 WeakPolarHBondContact O-CB 3.26Å; T1050-S1054 PolarHBondContact O-N 2.91Å; T1050-S1054 PolarHBondContact O-OG 2.89Å
1051I90.8Very high87.9Confident64 Ų6439 Ų3933%0.32820%0.196SC..Hα-helixtrans-63.9-50.8-179.8-68.9166.1000111.3L818 Y1047 L1048 F1049 S1054 L1055L818-I1051 HydrophobicContact CD1-CG1 4.28Å; Y1047-I1051 WeakPolarHBondContact O-CB 3.35Å; Y1047-I1051 WeakPolarHBondContact O-CD1 3.32Å; Y1047-I1051 VanDerWaalsContact O-CG1 3.25Å; Y1047-I1051 WeakPolarHBondContact O-CG1 3.33Å; Y1047-I1051 PolarHBondContact O-N 2.95Å; L1048-I1051 PolarHBondContact O-N 3.32Å; F1049-I1051 PolarHBondContact O-N 3.4Å; I1051-S1054 PolarHBondContact O-OG 3.35Å; I1051-L1055 HydrophobicContact CG2-CD1 4.18Å; I1051-L1055 WeakPolarHBondContact O-CB 3.46Å; I1051-L1055 WeakPolarHBondContact O-CG 3.27Å; I1051-L1055 PolarHBondContact O-N 3.3Å
1052F90Very high88.6Confident57 Ų5738.6 Ų38.625%0.2519%0.19CC..Hα-helixtrans-73.7-33.3-175.2-74.5-63000112.7F1025 T1030 F1033 L1048 F1049 Q1056 F1059F1025-F1052 HydrophobicContact CE1-CB 4.45Å; F1025-F1052 AromaticContact CE1-CD1 3.6Å; F1025-F1052 HydrophobicContact CE1-CD1 3.6Å; F1025-F1052 HydrophobicContact CE1-CE1 4.27Å; F1025-F1052 HydrophobicContact CE1-CG 4.38Å; F1025-F1052 AromaticContact CZ-CD1 3.66Å; F1025-F1052 HydrophobicContact CZ-CD1 3.66Å; F1025-F1052 AromaticContact CZ-CE1 3.85Å; F1025-F1052 HydrophobicContact CZ-CE1 3.85Å; T1030-F1052 HydrophobicContact CG2-CB 3.96Å; T1030-F1052 HydrophobicContact CG2-CD1 4.47Å; T1030-F1052 HydrophobicContact CG2-CG 4.18Å; F1033-F1052 HydrophobicContact CD2-CD2 4.01Å; F1033-F1052 AromaticContact CE2-CD2 3.47Å; F1033-F1052 HydrophobicContact CE2-CD2 3.47Å; F1033-F1052 VanDerWaalsContact CE2-CD2 3.47Å; F1033-F1052 AromaticContact CE2-CE2 3.89Å; F1033-F1052 HydrophobicContact CE2-CE2 3.89Å; F1033-F1052 HydrophobicContact CE2-CG 4.3Å; F1033-F1052 HydrophobicContact CZ-CD2 4.45Å; F1033-F1052 HydrophobicContact CZ-CE2 4.46Å; L1048-F1052 HydrophobicContact CB-CD2 4.43Å; L1048-F1052 HydrophobicContact CD2-CE2 4Å; L1048-F1052 WeakPolarHBondContact O-CB 3.42Å; L1048-F1052 WeakPolarHBondContact O-CD2 3.34Å; L1048-F1052 PolarHBondContact O-N 2.9Å; F1049-F1052 PolarHBondContact O-N 3.44Å; F1052-Q1056 PolarHBondContact O-N 2.84Å; F1052-F1059 HydrophobicContact CD1-CE2 4.01Å; F1052-F1059 HydrophobicContact CD1-CZ 4.4Å; F1052-F1059 HydrophobicContact CE1-CZ 4.45Å
1053N86.7Confident89.2Confident37 Ų3737.4 Ų37.420%0.19819%0.187CC..Hα-helixtrans-72.3-48.7177.8-173.634.5000111.6W1031 F1049 L1055 Q1056W1031-N1053 WeakPolarHBondContact CH2-ND2 3.48Å; W1031-N1053 WeakPolarHBondContact CH2-OD1 3.32Å; W1031-N1053 WeakPolarHBondContact CZ2-OD1 3.48Å; W1031-N1053 PolarHBondContact NE1-OD1 3.48Å; F1049-N1053 HydrophobicContact CD2-CB 4.43Å; F1049-N1053 HydrophobicContact CE2-CB 4.19Å; F1049-N1053 HydrophobicContact CZ-CB 4.39Å; F1049-N1053 WeakPolarHBondContact O-CB 3.27Å; F1049-N1053 PolarHBondContact O-N 2.79Å; N1053-L1055 PolarHBondContact O-N 3Å; N1053-Q1056 WeakPolarHBondContact O-CB 3.49Å; N1053-Q1056 PolarHBondContact O-N 3.29Å; N1053-Q1056 VanDerWaalsContact O-N 3.11Å
1054S89.9Confident89.6Confident6 Ų636.8 Ų36.84%0.04218%0.183CC..Hα-helixtrans-62.8-30.7-179.973.10000111.8L818 G822 C823 S826 T1050 I1051L818-S1054 PolarHBondContact O-OG 2.88Å; G822-S1054 CarbonylContact C-O 3.52Å; C823-S1054 PolarHBondContact N-O 3.25Å; S826-S1054 WeakPolarHBondContact CB-O 3.29Å; S826-S1054 PolarHBondContact OG-O 3.49Å; T1050-S1054 WeakPolarHBondContact O-CB 3.26Å; T1050-S1054 PolarHBondContact O-N 2.91Å; T1050-S1054 PolarHBondContact O-OG 2.89Å; I1051-S1054 PolarHBondContact O-OG 3.35Å
1055L90.9Very high89.8Confident37 Ų3732.6 Ų32.619%0.19416%0.157CC..THydrogen-bonded Turntrans-93.89.3177.4-63.1175.3000114.9I1051 N1053 G1057 L1058 F1059I1051-L1055 HydrophobicContact CG2-CD1 4.18Å; I1051-L1055 WeakPolarHBondContact O-CB 3.46Å; I1051-L1055 WeakPolarHBondContact O-CG 3.27Å; I1051-L1055 PolarHBondContact O-N 3.3Å; N1053-L1055 PolarHBondContact O-N 3Å; L1055-G1057 VanDerWaalsContact C-N 3.32Å; L1055-G1057 PolarHBondContact O-N 3.42Å; L1055-L1058 HydrophobicContact CD2-CD2 3.98Å; L1055-L1058 WeakPolarHBondContact O-CB 3.29Å; L1055-L1058 PolarHBondContact O-N 3.47Å; L1055-F1059 HydrophobicContact CB-CD2 4.16Å; L1055-F1059 HydrophobicContact CB-CE2 3.82Å; L1055-F1059 VanDerWaalsContact O-CD2 3.28Å; L1055-F1059 WeakPolarHBondContact O-CD2 3.49Å; L1055-F1059 PolarHBondContact O-N 3.37Å
1056Q91.1Very high90Very high2 Ų231.4 Ų31.41%0.00916%0.156CC..Hα-helixtrans-57.5-42-174.2-173.2172.84.500113F1025 F1052 N1053 L1058 F1059 I1060F1025-Q1056 PolarHBondContact O-NE2 3.45Å; F1052-Q1056 PolarHBondContact O-N 2.84Å; N1053-Q1056 WeakPolarHBondContact O-CB 3.49Å; N1053-Q1056 PolarHBondContact O-N 3.29Å; N1053-Q1056 VanDerWaalsContact O-N 3.11Å; Q1056-L1058 VanDerWaalsContact C-N 3.34Å; Q1056-L1058 PolarHBondContact O-N 3.03Å; Q1056-F1059 PolarHBondContact O-N 3.25Å; Q1056-I1060 HydrophobicContact CG-CD1 4.15Å; Q1056-I1060 WeakPolarHBondContact O-CG1 3.29Å; Q1056-I1060 PolarHBondContact O-N 3.01Å; Q1056-I1060 VanDerWaalsContact O-N 3.09Å
1057G91Very high90.1Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-66.6-31.417700000113.7S826 L1055 F1061S826-G1057 VanDerWaalsContact OG-CA 3.23Å; S826-G1057 WeakPolarHBondContact OG-CA 3.22Å; S826-G1057 PolarHBondContact OG-N 2.96Å; L1055-G1057 VanDerWaalsContact C-N 3.32Å; L1055-G1057 PolarHBondContact O-N 3.42Å; G1057-F1061 WeakPolarHBondContact O-CB 3.21Å; G1057-F1061 PolarHBondContact O-N 2.8Å
1058L93.6Very high89.9Confident42 Ų4233.9 Ų33.922%0.2217%0.169CC..Hα-helixtrans-64.8-48.3173.5173.866.8000110.9I825 C829 L1055 Q1056 I1060 F1061 I1062I825-L1058 HydrophobicContact CG2-CB 4.38Å; I825-L1058 HydrophobicContact CG2-CD1 4.22Å; I825-L1058 HydrophobicContact CG2-CD2 4.21Å; C829-L1058 WeakPolarHBondContact SG-CD1 3.45Å; L1055-L1058 HydrophobicContact CD2-CD2 3.98Å; L1055-L1058 WeakPolarHBondContact O-CB 3.29Å; L1055-L1058 PolarHBondContact O-N 3.47Å; Q1056-L1058 VanDerWaalsContact C-N 3.34Å; Q1056-L1058 PolarHBondContact O-N 3.03Å; L1058-I1060 VanDerWaalsContact C-N 3.32Å; L1058-I1060 PolarHBondContact O-N 3.15Å; L1058-F1061 PolarHBondContact O-N 2.9Å; L1058-I1062 HydrophobicContact CD1-CD1 3.93Å; L1058-I1062 HydrophobicContact CD1-CG1 4.23Å; L1058-I1062 HydrophobicContact CG-CD1 3.88Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; L1058-I1062 PolarHBondContact O-N 3.49Å
1059F92.3Very high89.5Confident42 Ų4237.4 Ų37.418%0.18418%0.184CC..Hα-helixtrans-63.8-39178.7-70.2-65.1000112.1F1025 F1052 L1055 Q1056 I1062 F1063F1025-F1059 HydrophobicContact CB-CB 4.02Å; F1025-F1059 HydrophobicContact CD1-CB 3.91Å; F1025-F1059 AromaticContact CD1-CD2 3.67Å; F1025-F1059 HydrophobicContact CD1-CD2 3.67Å; F1025-F1059 HydrophobicContact CD1-CE2 4.42Å; F1025-F1059 AromaticContact CD1-CG 3.91Å; F1025-F1059 HydrophobicContact CD1-CG 3.91Å; F1025-F1059 HydrophobicContact CD2-CB 3.79Å; F1025-F1059 HydrophobicContact CD2-CD1 4.19Å; F1025-F1059 HydrophobicContact CD2-CD2 4.4Å; F1025-F1059 AromaticContact CD2-CG 3.88Å; F1025-F1059 HydrophobicContact CD2-CG 3.88Å; F1025-F1059 HydrophobicContact CE1-CB 4.32Å; F1025-F1059 HydrophobicContact CE1-CD1 4.48Å; F1025-F1059 AromaticContact CE1-CD2 3.32Å; F1025-F1059 HydrophobicContact CE1-CD2 3.32Å; F1025-F1059 AromaticContact CE1-CE2 3.63Å; F1025-F1059 HydrophobicContact CE1-CE2 3.63Å; F1025-F1059 AromaticContact CE1-CG 3.8Å; F1025-F1059 HydrophobicContact CE1-CG 3.8Å; F1025-F1059 HydrophobicContact CE1-CZ 4.34Å; F1025-F1059 HydrophobicContact CE2-CB 4.22Å; F1025-F1059 AromaticContact CE2-CD1 3.81Å; F1025-F1059 HydrophobicContact CE2-CD1 3.81Å; F1025-F1059 HydrophobicContact CE2-CD2 4.12Å; F1025-F1059 HydrophobicContact CE2-CE1 4.16Å; F1025-F1059 HydrophobicContact CE2-CE2 4.45Å; F1025-F1059 AromaticContact CE2-CG 3.79Å; F1025-F1059 HydrophobicContact CE2-CG 3.79Å; F1025-F1059 HydrophobicContact CE2-CZ 4.47Å; F1025-F1059 HydrophobicContact CG-CB 3.63Å; F1025-F1059 HydrophobicContact CG-CD2 4.21Å; F1025-F1059 AromaticContact CG-CG 3.96Å; F1025-F1059 HydrophobicContact CG-CG 3.96Å; F1025-F1059 HydrophobicContact CZ-CB 4.48Å; F1025-F1059 AromaticContact CZ-CD1 3.98Å; F1025-F1059 HydrophobicContact CZ-CD1 3.98Å; F1025-F1059 AromaticContact CZ-CD2 3.59Å; F1025-F1059 HydrophobicContact CZ-CD2 3.59Å; F1025-F1059 HydrophobicContact CZ-CE1 4.05Å; F1025-F1059 AromaticContact CZ-CE2 3.66Å; F1025-F1059 HydrophobicContact CZ-CE2 3.66Å; F1025-F1059 AromaticContact CZ-CG 3.76Å; F1025-F1059 HydrophobicContact CZ-CG 3.76Å; F1025-F1059 AromaticContact CZ-CZ 3.89Å; F1025-F1059 HydrophobicContact CZ-CZ 3.89Å; F1052-F1059 HydrophobicContact CD1-CE2 4.01Å; F1052-F1059 HydrophobicContact CD1-CZ 4.4Å; F1052-F1059 HydrophobicContact CE1-CZ 4.45Å; L1055-F1059 HydrophobicContact CB-CD2 4.16Å; L1055-F1059 HydrophobicContact CB-CE2 3.82Å; L1055-F1059 VanDerWaalsContact O-CD2 3.28Å; L1055-F1059 WeakPolarHBondContact O-CD2 3.49Å; L1055-F1059 PolarHBondContact O-N 3.37Å; Q1056-F1059 PolarHBondContact O-N 3.25Å; F1059-I1062 PolarHBondContact O-N 3.48Å; F1059-F1063 HydrophobicContact CD1-CE2 4.19Å; F1059-F1063 VanDerWaalsContact O-CD2 3.31Å; F1059-F1063 WeakPolarHBondContact O-CD2 3.37Å; F1059-F1063 PolarHBondContact O-N 2.73Å
1060I91.2Very high89.2Confident1 Ų139 Ų391%0.00520%0.195CC..Hα-helixtrans-60.5-47.3173.7-69.7170.1000110.6L852 L855 L859 Q1056 L1058 I1062 H1064L852-I1060 HydrophobicContact CD1-CG2 3.69Å; L855-I1060 HydrophobicContact CD2-CD1 4.44Å; L859-I1060 HydrophobicContact CD1-CD1 3.52Å; Q1056-I1060 HydrophobicContact CG-CD1 4.15Å; Q1056-I1060 WeakPolarHBondContact O-CG1 3.29Å; Q1056-I1060 PolarHBondContact O-N 3.01Å; Q1056-I1060 VanDerWaalsContact O-N 3.09Å; L1058-I1060 VanDerWaalsContact C-N 3.32Å; L1058-I1060 PolarHBondContact O-N 3.15Å; I1060-I1062 PolarHBondContact O-N 3.47Å; I1060-H1064 WeakPolarHBondContact O-CA 3.35Å; I1060-H1064 WeakPolarHBondContact O-CB 3.4Å; I1060-H1064 PolarHBondContact O-N 3.12Å
1061F93.8Very high89.1Confident40 Ų4038.4 Ų38.418%0.17519%0.191CC..Iπ-helixtrans-59.5-47.5175.9172-101.5000111.8C829 A832 T833 G1057 L1058 C1065 A1066 W1075C829-F1061 HydrophobicContact CB-CB 3.76Å; C829-F1061 HydrophobicContact CB-CD1 4.45Å; C829-F1061 HydrophobicContact CB-CG 4.12Å; A832-F1061 HydrophobicContact CB-CD2 4.36Å; A832-F1061 HydrophobicContact CB-CE2 4.04Å; T833-F1061 WeakPolarHBondContact OG1-CB 3.28Å; T833-F1061 WeakPolarHBondContact OG1-CD2 3.43Å; G1057-F1061 WeakPolarHBondContact O-CB 3.21Å; G1057-F1061 PolarHBondContact O-N 2.8Å; L1058-F1061 PolarHBondContact O-N 2.9Å; F1061-C1065 HydrophobicContact CD2-CB 3.78Å; F1061-C1065 HydrophobicContact CE2-CB 4.25Å; F1061-C1065 HydrophobicContact CG-CB 4.44Å; F1061-C1065 CarbonylContact O-C 3.59Å; F1061-C1065 VanDerWaalsContact O-CA 3.31Å; F1061-C1065 WeakPolarHBondContact O-CA 3.21Å; F1061-C1065 WeakPolarHBondContact O-CB 3.37Å; F1061-C1065 PolarHBondContact O-N 3.34Å; F1061-A1066 HydrophobicContact CD1-CB 4.44Å; F1061-A1066 HydrophobicContact CE1-CB 4.03Å; F1061-A1066 HydrophobicContact CZ-CB 4.2Å; F1061-A1066 PolarHBondContact O-N 3.41Å; F1061-W1075 AromaticContact CE2-CH2 3.83Å; F1061-W1075 HydrophobicContact CE2-CH2 3.83Å; F1061-W1075 HydrophobicContact CE2-CZ2 4.31Å; F1061-W1075 AromaticContact CZ-CH2 3.82Å; F1061-W1075 HydrophobicContact CZ-CH2 3.82Å
1062I92.2Very high88.8Confident56 Ų5638.5 Ų38.529%0.28719%0.19SC..Iπ-helixtrans-58.7-56.7-179.6-70169.3000110.4L1058 F1059 I1060 L1067L1058-I1062 HydrophobicContact CD1-CD1 3.93Å; L1058-I1062 HydrophobicContact CD1-CG1 4.23Å; L1058-I1062 HydrophobicContact CG-CD1 3.88Å; L1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; L1058-I1062 PolarHBondContact O-N 3.49Å; F1059-I1062 PolarHBondContact O-N 3.48Å; I1060-I1062 PolarHBondContact O-N 3.47Å; I1062-L1067 HydrophobicContact CG2-CD1 3.6Å; I1062-L1067 HydrophobicContact CG2-CG 4.1Å; I1062-L1067 WeakPolarHBondContact O-CB 3.32Å; I1062-L1067 WeakPolarHBondContact O-CG 3.25Å; I1062-L1067 PolarHBondContact O-N 3.16Å
1063F90Very high88.5Confident39 Ų3940.3 Ų40.317%0.17120%0.198CC..Iπ-helixtrans-80.3-36.8-171.1-70.3-68.9000114R1018 V1021 F1025 F1059 L1067R1018-F1063 HydrophobicContact CG-CD1 4.42Å; R1018-F1063 HydrophobicContact CG-CE1 4.22Å; V1021-F1063 HydrophobicContact CB-CZ 4.36Å; V1021-F1063 HydrophobicContact CG1-CE2 3.69Å; V1021-F1063 HydrophobicContact CG1-CZ 3.6Å; F1025-F1063 HydrophobicContact CD2-CE2 4.49Å; F1059-F1063 HydrophobicContact CD1-CE2 4.19Å; F1059-F1063 VanDerWaalsContact O-CD2 3.31Å; F1059-F1063 WeakPolarHBondContact O-CD2 3.37Å; F1059-F1063 PolarHBondContact O-N 2.73Å; F1063-L1067 HydrophobicContact CD1-CD1 4.04Å; F1063-L1067 HydrophobicContact CE1-CD1 4.24Å
1064H87.6Confident88.4Confident31 Ų3139.4 Ų39.414%0.14419%0.193CC..Iπ-helixtrans-104.5-9.9-172.3-64.4-86.2000114.3Y837 L852 S1022 I1060 K1068Y837-H1064 PolarHBondContact OH-O 3.47Å; L852-H1064 HydrophobicContact CD2-CB 3.79Å; S1022-H1064 PolarHBondContact O-NE2 2.94Å; S1022-H1064 PolarHBondContact OG-CE1 3.22Å; S1022-H1064 VanDerWaalsContact OG-CE1 3.29Å; S1022-H1064 PolarHBondContact OG-NE2 3.43Å; I1060-H1064 WeakPolarHBondContact O-CA 3.35Å; I1060-H1064 WeakPolarHBondContact O-CB 3.4Å; I1060-H1064 PolarHBondContact O-N 3.12Å; H1064-K1068 WeakPolarHBondContact O-CD 3.27Å
1065C89.3Confident88.2Confident0 Ų042.2 Ų42.20%020%0.202CC..Iπ-helixtrans-116.1-71.9173.2-165.20000111T833 F1061 L1067 K1068 V1071T833-C1065 HydrophobicContact CG2-CB 4.27Å; F1061-C1065 HydrophobicContact CD2-CB 3.78Å; F1061-C1065 HydrophobicContact CE2-CB 4.25Å; F1061-C1065 HydrophobicContact CG-CB 4.44Å; F1061-C1065 CarbonylContact O-C 3.59Å; F1061-C1065 VanDerWaalsContact O-CA 3.31Å; F1061-C1065 WeakPolarHBondContact O-CA 3.21Å; F1061-C1065 WeakPolarHBondContact O-CB 3.37Å; F1061-C1065 PolarHBondContact O-N 3.34Å; C1065-L1067 PolarHBondContact O-N 2.79Å; C1065-K1068 PolarHBondContact O-N 3.42Å; C1065-V1071 VanDerWaalsContact O-CB 3.29Å; C1065-V1071 WeakPolarHBondContact O-CB 3.48Å; C1065-V1071 WeakPolarHBondContact O-CG1 3.31Å
1066A88.7Confident87.7Confident25 Ų2545.8 Ų45.821%0.20721%0.213CC..Iπ-helixtrans-65.3-39.3-170.500000113.8F1061 Q1072 W1075F1061-A1066 HydrophobicContact CD1-CB 4.44Å; F1061-A1066 HydrophobicContact CE1-CB 4.03Å; F1061-A1066 HydrophobicContact CZ-CB 4.2Å; F1061-A1066 PolarHBondContact O-N 3.41Å; A1066-Q1072 WeakPolarHBondContact O-CG 3.19Å; A1066-Q1072 PolarHBondContact O-NE2 3.43Å; A1066-W1075 HydrophobicContact CB-CH2 4.43Å; A1066-W1075 HydrophobicContact CB-CZ3 4.4Å
1067L85.7Confident87Confident60 Ų6047 Ų4731%0.31422%0.218SC..THydrogen-bonded Turntrans-92.6-1.9-179.4-64.4179000114R1018 I1062 F1063 C1065R1018-L1067 PolarHBondContact NH2-O 3.46Å; I1062-L1067 HydrophobicContact CG2-CD1 3.6Å; I1062-L1067 HydrophobicContact CG2-CG 4.1Å; I1062-L1067 WeakPolarHBondContact O-CB 3.32Å; I1062-L1067 WeakPolarHBondContact O-CG 3.25Å; I1062-L1067 PolarHBondContact O-N 3.16Å; F1063-L1067 HydrophobicContact CD1-CD1 4.04Å; F1063-L1067 HydrophobicContact CE1-CD1 4.24Å; C1065-L1067 PolarHBondContact O-N 2.79Å
1068K84.6Confident86.3Confident53 Ų5353.5 Ų53.523%0.2324%0.243CC..  trans-82.4119.4-178.3-172.4169.7176.1178.60110.2Y837 H1064 C1065 N1070 V1071 Q1072Y837-K1068 WeakPolarHBondContact OH-CD 3.16Å; Y837-K1068 PolarHBondContact OH-NZ 2.97Å; Y837-K1068 VanDerWaalsContact OH-NZ 3.12Å; H1064-K1068 WeakPolarHBondContact O-CD 3.27Å; C1065-K1068 PolarHBondContact O-N 3.42Å; K1068-N1070 VanDerWaalsContact C-N 3.28Å; K1068-N1070 PolarHBondContact O-N 3.27Å; K1068-N1070 VanDerWaalsContact O-N 3.15Å; K1068-V1071 HydrophobicContact CB-CB 4.36Å; K1068-V1071 HydrophobicContact CB-CG2 4.09Å; K1068-V1071 HydrophobicContact CD-CG2 4.15Å; K1068-V1071 HydrophobicContact CG-CG2 4.25Å; K1068-V1071 WeakPolarHBondContact O-CB 3.42Å; K1068-V1071 PolarHBondContact O-N 3.09Å; K1068-Q1072 PolarHBondContact O-N 3.09Å
1069E83.1Confident85.5Confident133 Ų13357.1 Ų57.162%0.62126%0.262SS*.Hα-helixtrans-54.3-40.7-172.9-66.3-176.5-173.600113.7V1071 Q1072 K1073E1069-V1071 VanDerWaalsContact C-N 3.3Å; E1069-V1071 PolarHBondContact O-N 3.37Å; E1069-Q1072 PolarHBondContact O-N 3.37Å; E1069-K1073 VanDerWaalsContact O-CG 3.26Å; E1069-K1073 WeakPolarHBondContact O-CG 3.26Å; E1069-K1073 PolarHBondContact O-N 3.01Å
1070N83.3Confident84.6Confident82 Ų8257.2 Ų57.244%0.43927%0.267SS..Hα-helixtrans-65.4-35.1179.8-70.9-13000112.2L843 K1068 Q1074L843-N1070 HydrophobicContact CD2-CB 4.3Å; K1068-N1070 VanDerWaalsContact C-N 3.28Å; K1068-N1070 PolarHBondContact O-N 3.27Å; K1068-N1070 VanDerWaalsContact O-N 3.15Å; N1070-Q1074 WeakPolarHBondContact O-CG 3.43Å; N1070-Q1074 PolarHBondContact O-N 3.14Å
1071V85.5Confident83.4Confident0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-74.5-46.9177.6178.70000110.1T836 Y837 L843 C1065 K1068 E1069 K1073 Q1074 W1075T836-V1071 HydrophobicContact CG2-CG1 3.75Å; Y837-V1071 WeakPolarHBondContact OH-CG2 3.34Å; L843-V1071 HydrophobicContact CD1-CB 4.5Å; L843-V1071 HydrophobicContact CD1-CG2 4.08Å; L843-V1071 HydrophobicContact CD2-CG2 3.58Å; C1065-V1071 VanDerWaalsContact O-CB 3.29Å; C1065-V1071 WeakPolarHBondContact O-CB 3.48Å; C1065-V1071 WeakPolarHBondContact O-CG1 3.31Å; K1068-V1071 HydrophobicContact CB-CB 4.36Å; K1068-V1071 HydrophobicContact CB-CG2 4.09Å; K1068-V1071 HydrophobicContact CD-CG2 4.15Å; K1068-V1071 HydrophobicContact CG-CG2 4.25Å; K1068-V1071 WeakPolarHBondContact O-CB 3.42Å; K1068-V1071 PolarHBondContact O-N 3.09Å; E1069-V1071 VanDerWaalsContact C-N 3.3Å; E1069-V1071 PolarHBondContact O-N 3.37Å; V1071-K1073 PolarHBondContact O-N 3.12Å; V1071-Q1074 WeakPolarHBondContact O-CA 3.35Å; V1071-Q1074 PolarHBondContact O-N 3.39Å; V1071-W1075 HydrophobicContact CG1-CD2 4.21Å; V1071-W1075 HydrophobicContact CG1-CG 4.41Å; V1071-W1075 HydrophobicContact CG1-CZ2 4.19Å; V1071-W1075 PolarHBondContact O-N 3.41Å
1072Q84.7Confident82Confident66 Ų6663.1 Ų63.131%0.30832%0.321SS..Hα-helixtrans-55-39.5175.9-69.7-175.2-12.400112.4A1066 K1068 E1069 W1075 R1076A1066-Q1072 WeakPolarHBondContact O-CG 3.19Å; A1066-Q1072 PolarHBondContact O-NE2 3.43Å; K1068-Q1072 PolarHBondContact O-N 3.09Å; E1069-Q1072 PolarHBondContact O-N 3.37Å; Q1072-W1075 PolarHBondContact O-N 3.34Å; Q1072-R1076 WeakPolarHBondContact O-CB 3.29Å; Q1072-R1076 VanDerWaalsContact O-CG 3.29Å; Q1072-R1076 WeakPolarHBondContact O-CG 3.32Å; Q1072-R1076 PolarHBondContact O-N 3.48Å
1073K83.3Confident80.5Confident95 Ų9566.5 Ų66.541%0.41335%0.347SS..Hα-helixtrans-62.8-40.6174.6-74.3170.8-173.1171.90112.3E1069 V1071 R1077E1069-K1073 VanDerWaalsContact O-CG 3.26Å; E1069-K1073 WeakPolarHBondContact O-CG 3.26Å; E1069-K1073 PolarHBondContact O-N 3.01Å; V1071-K1073 PolarHBondContact O-N 3.12Å; K1073-R1077 VanDerWaalsContact O-CB 3.26Å; K1073-R1077 WeakPolarHBondContact O-CB 3.49Å; K1073-R1077 PolarHBondContact O-N 2.8Å; K1073-R1077 VanDerWaalsContact O-N 3.09Å
1074Q84.1Confident79Confident17 Ų1772.4 Ų72.48%0.07937%0.369CS..Hα-helixtrans-69.7-43.6176.5-63.5-47.9-71.800111.5F840 L843 N1070 V1071 R1076 R1077 Y1078F840-Q1074 HydrophobicContact CD1-CB 4.29Å; F840-Q1074 HydrophobicContact CD2-CB 4.29Å; F840-Q1074 HydrophobicContact CE1-CB 4.49Å; F840-Q1074 HydrophobicContact CG-CB 4.2Å; L843-Q1074 HydrophobicContact CD1-CB 4.14Å; L843-Q1074 HydrophobicContact CD1-CG 3.82Å; L843-Q1074 HydrophobicContact CG-CG 4.16Å; N1070-Q1074 WeakPolarHBondContact O-CG 3.43Å; N1070-Q1074 PolarHBondContact O-N 3.14Å; V1071-Q1074 WeakPolarHBondContact O-CA 3.35Å; V1071-Q1074 PolarHBondContact O-N 3.39Å; Q1074-R1076 PolarHBondContact O-N 3.15Å; Q1074-R1077 PolarHBondContact O-N 3.04Å; Q1074-R1077 VanDerWaalsContact O-N 3.09Å; Q1074-Y1078 WeakPolarHBondContact O-CD2 3.33Å; Q1074-Y1078 PolarHBondContact O-N 3.29Å
1075W85.5Confident77.8Confident65 Ų6578.8 Ų78.825%0.24639%0.392CS..Hα-helixtrans-59.9-46.2175.3-73.44000112T836 F840 F1061 A1066 V1071 Q1072 R1077 Y1078 L1079 C1080T836-W1075 HydrophobicContact CG2-CZ2 4.08Å; F840-W1075 AromaticContact CE2-CD1 3.68Å; F840-W1075 AromaticContact CE2-NE1 3.94Å; F1061-W1075 AromaticContact CE2-CH2 3.83Å; F1061-W1075 HydrophobicContact CE2-CH2 3.83Å; F1061-W1075 HydrophobicContact CE2-CZ2 4.31Å; F1061-W1075 AromaticContact CZ-CH2 3.82Å; F1061-W1075 HydrophobicContact CZ-CH2 3.82Å; A1066-W1075 HydrophobicContact CB-CH2 4.43Å; A1066-W1075 HydrophobicContact CB-CZ3 4.4Å; V1071-W1075 HydrophobicContact CG1-CD2 4.21Å; V1071-W1075 HydrophobicContact CG1-CG 4.41Å; V1071-W1075 HydrophobicContact CG1-CZ2 4.19Å; V1071-W1075 PolarHBondContact O-N 3.41Å; Q1072-W1075 PolarHBondContact O-N 3.34Å; W1075-R1077 PolarHBondContact O-N 3.39Å; W1075-Y1078 PolarHBondContact O-N 2.98Å; W1075-L1079 HydrophobicContact CB-CD1 4.28Å; W1075-L1079 HydrophobicContact CG-CD1 3.94Å; W1075-L1079 WeakPolarHBondContact O-CA 3.49Å; W1075-L1079 WeakPolarHBondContact O-CB 3.49Å; W1075-L1079 PolarHBondContact O-N 3.04Å; W1075-C1080 PolarHBondContact O-N 2.72Å; W1075-C1080 VanDerWaalsContact O-N 3.16Å
1076R81.2Confident76.5Confident113 Ų11381.5 Ų81.543%0.42641%0.406SS..Hα-helixtrans-65.1-24.9175.4-71.2176.1-177.9-122.73.1113.4Q1072 Q1074 R1085 L1086Q1072-R1076 WeakPolarHBondContact O-CB 3.29Å; Q1072-R1076 VanDerWaalsContact O-CG 3.29Å; Q1072-R1076 WeakPolarHBondContact O-CG 3.32Å; Q1072-R1076 PolarHBondContact O-N 3.48Å; Q1074-R1076 PolarHBondContact O-N 3.15Å; R1076-R1085 VanDerWaalsContact O-CA 3.27Å; R1076-R1085 WeakPolarHBondContact O-CA 3.37Å; R1076-L1086 HydrophobicContact CB-CB 4.45Å; R1076-L1086 HydrophobicContact CB-CD1 3.56Å; R1076-L1086 VanDerWaalsContact CD-CD1 3.47Å; R1076-L1086 HydrophobicContact CG-CD1 4.16Å; R1076-L1086 PolarHBondContact O-N 3.2Å; R1076-L1086 VanDerWaalsContact O-N 3.12Å
1077R76.8Confident75Confident26 Ų2684.4 Ų84.410%0.09843%0.425CS..Hα-helixtrans-81.9-37.3179.3-175.1169.2-80.3173.2-4.4112.5K1073 Q1074 W1075 S1087 E1088K1073-R1077 VanDerWaalsContact O-CB 3.26Å; K1073-R1077 WeakPolarHBondContact O-CB 3.49Å; K1073-R1077 PolarHBondContact O-N 2.8Å; K1073-R1077 VanDerWaalsContact O-N 3.09Å; Q1074-R1077 PolarHBondContact O-N 3.04Å; Q1074-R1077 VanDerWaalsContact O-N 3.09Å; W1075-R1077 PolarHBondContact O-N 3.39Å; R1077-S1087 PolarHBondContact NH2-O 2.87Å; R1077-S1087 VanDerWaalsContact NH2-O 3.12Å; R1077-E1088 PolarHBondContact NH2-O 3.44Å
1078Y75.7Confident73.3Confident137 Ų13788.6 Ų88.654%0.53744%0.443SS..Hα-helixtrans-116.3-26.5-170.1-66.5-73.9000115.7F840 Q1074 W1075F840-Y1078 HydrophobicContact CD1-CD2 4.04Å; F840-Y1078 AromaticContact CE1-CD2 3.62Å; F840-Y1078 HydrophobicContact CE1-CD2 3.62Å; F840-Y1078 AromaticContact CE1-CG 3.89Å; F840-Y1078 HydrophobicContact CE1-CG 3.89Å; Q1074-Y1078 WeakPolarHBondContact O-CD2 3.33Å; Q1074-Y1078 PolarHBondContact O-N 3.29Å; W1075-Y1078 PolarHBondContact O-N 2.98Å
1079L76.6Confident71.7Confident119 Ų11992.8 Ų92.862%0.62347%0.468SS*.THydrogen-bonded Turntrans-105-23.8-177.1-80144.1000113.4F840 W1075F840-L1079 HydrophobicContact CE2-CD1 4.21Å; F840-L1079 HydrophobicContact CZ-CD1 3.87Å; W1075-L1079 HydrophobicContact CB-CD1 4.28Å; W1075-L1079 HydrophobicContact CG-CD1 3.94Å; W1075-L1079 WeakPolarHBondContact O-CA 3.49Å; W1075-L1079 WeakPolarHBondContact O-CB 3.49Å; W1075-L1079 PolarHBondContact O-N 3.04Å
1080C74.1Confident70.2Confident43 Ų4388.7 Ų88.729%0.29145%0.454SS..  trans-88.8134.7178.7-64.20000112.6W1075 R1085W1075-C1080 PolarHBondContact O-N 2.72Å; W1075-C1080 VanDerWaalsContact O-N 3.16Å; C1080-R1085 WeakPolarHBondContact O-CB 3.28Å
1081C66.2Low68.5Low112 Ų11289.7 Ų89.776%0.75746%0.459SS*.  trans-108.2155171.2-67.20000111
1082G64.7Low66.3Low54 Ų54100.2 Ų100.256%0.55750%0.499SS*.G310 helixtrans76.8-149.9179.100000114.1Y1084 R1085G1082-Y1084 PolarHBondContact O-N 2.94Å; G1082-R1085 WeakPolarHBondContact O-CB 3.48Å; G1082-R1085 PolarHBondContact O-N 3.09Å; G1082-R1085 VanDerWaalsContact O-N 3.14Å
1083P59.4Low64.2Low127 Ų127101.1 Ų101.183%0.82551%0.513SS*.G310 helixtrans-66.8-8.6-169.426.9-34.5000114.7
1084Y60Low62.3Low162 Ų162106 Ų10664%0.63553%0.534SS*.G310 helixtrans-92-1.9179-61.3-76.3000113.7G1082G1082-Y1084 PolarHBondContact O-N 2.94Å
1085R60.7Low60.2Low165 Ų165111.8 Ų111.862%0.62357%0.57SS**PPolyproline II helixtrans-80.2124.2-179.7-168.6174.6176.7-178.2-3.8112R1076 C1080 G1082R1076-R1085 VanDerWaalsContact O-CA 3.27Å; R1076-R1085 WeakPolarHBondContact O-CA 3.37Å; C1080-R1085 WeakPolarHBondContact O-CB 3.28Å; G1082-R1085 WeakPolarHBondContact O-CB 3.48Å; G1082-R1085 PolarHBondContact O-N 3.09Å; G1082-R1085 VanDerWaalsContact O-N 3.14Å
1086L63.3Low58.2Low58 Ų58112 Ų11230%0.30459%0.586SS.*PPolyproline II helixtrans-80.6129.3174-101.4103.5000111.2R1076R1076-L1086 HydrophobicContact CB-CB 4.45Å; R1076-L1086 HydrophobicContact CB-CD1 3.56Å; R1076-L1086 VanDerWaalsContact CD-CD1 3.47Å; R1076-L1086 HydrophobicContact CG-CD1 4.16Å; R1076-L1086 PolarHBondContact O-N 3.2Å; R1076-L1086 VanDerWaalsContact O-N 3.12Å
1087S56.6Low56.4Low86 Ų86112 Ų11260%0.60160%0.599SS**PPolyproline II helixtrans-70.3155.4177.460.60000113R1077 N1089R1077-S1087 PolarHBondContact NH2-O 2.87Å; R1077-S1087 VanDerWaalsContact NH2-O 3.12Å; S1087-N1089 VanDerWaalsContact C-N 3.31Å; S1087-N1089 PolarHBondContact O-N 2.95Å
1088E50.4Low54.4Low147 Ų147118.4 Ų118.469%0.68764%0.635SS**THydrogen-bonded Turntrans-68.3-26.8-171.4-133.4167.3-17600113.3R1077R1077-E1088 PolarHBondContact NH2-O 3.44Å
1089N50Low52.5Low141 Ų141119.2 Ų119.275%0.75465%0.649SS**THydrogen-bonded Turntrans-9411.8-170.9-74.7-18.2000116.3S1087 D1091S1087-N1089 VanDerWaalsContact C-N 3.31Å; S1087-N1089 PolarHBondContact O-N 2.95Å; N1089-D1091 PolarHBondContact O-N 3.1Å
1090S52.7Low50.4Low47 Ų47119.9 Ų119.933%0.32966%0.658SS.*THydrogen-bonded Turntrans-72.7-6.8-177.967.30000115.3
1091D47.3Very low48.5Very low104 Ų104127.1 Ų127.156%0.55668%0.684SS**THydrogen-bonded Turntrans-90.7-9.5-176.4-72.6-18.3000113.3K842 N1089K842-D1091 IonicContact NZ-OD2 3Å; N1089-D1091 PolarHBondContact O-N 3.1Å
1092W39.8Very low46.9Very low221 Ų221130.9 Ų130.984%0.83769%0.688SS**SBendtrans-86.4-25.2179.5-170.9-102.3000114.2K1094W1092-K1094 PolarHBondContact O-N 3.37Å
1093S40.3Very low45.3Very low84 Ų84133.9 Ų133.959%0.58770%0.695SS**THydrogen-bonded Turntrans-88.410.6-168.4480000116.2
1094K43.1Very low44Very low199 Ų199133 Ų13387%0.86569%0.692SS**THydrogen-bonded Turntrans-110.23174.7-76-167.3177.8-178.20116.1W1092W1092-K1094 PolarHBondContact O-N 3.37Å
1095T40.6Very low42.5Very low137 Ų137130.1 Ų130.184%0.8470%0.696SS**SBendtrans-120.61.4176-35.70000114.3
1096A43.8Very low41Very low70 Ų70129 Ų12958%0.57970%0.702SS**SBendtrans-133.653.6175.800000112.8
1097T41.6Very low39.4Very low113 Ų113132.9 Ų132.969%0.69372%0.723SS**  trans-171.580.41569.40000111
1098N35.3Very low38.1Very low161 Ų161136.5 Ų136.586%0.86174%0.735SS**SBendtrans-15765.9142.7-111.3-10.1000109.8
1099N36.1Very low37Very low154 Ų154133 Ų13382%0.82473%0.731SS**SBendtrans-160.185.9145-85.9-18.9000100.6
1100T33.3Very low36Very low132 Ų132135.7 Ų135.781%0.8174%0.736SS**  -173.4165.973.237.90000110
1101K34Very low34.7Very low195 Ų195138.1 Ų138.185%0.84875%0.753SS**  trans-55.8158.4-178.8-75.4171.6170.9172.90116.4
1102K31.2Very low33.8Very low191 Ų191140.8 Ų140.883%0.8377%0.767SS**  trans83.6120140.7-92-166.7168.1-179.10121
1103V32Very low33.2Very low118 Ų118135.6 Ų135.672%0.71576%0.764SS**  83.3128.5128.6179.30000120.4
1104S31Very low32.6Very low107 Ų107136.6 Ų136.675%0.74877%0.771SS**  trans60.1146.7158.170.80000117.6
1105S28.9Very low31.9Very low103 Ų103132.2 Ų132.272%0.7277%0.766SS**  cis-163.8149.822.743.80000109.1
1106D29Very low31.3Very low141 Ų141130.3 Ų130.375%0.75476%0.758SS**  trans23.3137.4138.7-68.6-23.3000123.6
1107N30.3Very low30.6Very low139 Ų139137.1 Ų137.174%0.74378%0.775SS**  trans84.4113.3136.2-73.9-23.9000122
1108L29.5Very low29.8Very low162 Ų162135 Ų13585%0.84878%0.775SS**  86.4131.7121.2-143.285000120.5
1109A27.3Very low29.5Very low74 Ų74132.9 Ų132.961%0.61277%0.773SS**  trans77.9117.9139.200000121.8
1110K28.4Very low29.1Very low197 Ų197130 Ų13086%0.85777%0.765SS**  65.8128122.6-77-178.2173.1175.80121.7
1111S26.5Very low29Very low98 Ų98130.2 Ų130.269%0.68577%0.766SS**  trans76.8121.3130.863.40000121.4
1112L28.8Very low29.2Very low161 Ų161128.7 Ų128.784%0.84377%0.766SS**  25.8122.4125.2-70142.6000115.8
1113S27Very low29Very low112 Ų112125.9 Ų125.978%0.78376%0.76SS**  173155.679.237.70000105.4
1114S26.2Very low28.8Very low104 Ų104130.1 Ų130.173%0.72776%0.763SS**  -174.2156.755.945.40000110.6
1115S28.8Very low28.9Very low108 Ų108129.8 Ų129.876%0.75576%0.757SS**  trans-12.7156.814963.70000117.4
1116S29Very low29.2Very low97 Ų97130 Ų13068%0.67876%0.758SS**  cis-175.5154.233.568.50000109.2
1117F28.7Very low29.1Very low212 Ų212133.6 Ų133.693%0.9377%0.767SS**  trans48.6132138.9-88-89000121.9
1118G25.1Very low29.4Very low69 Ų69131.7 Ų131.771%0.71177%0.77SS**  trans141.6104.3139.500000115.5
1119S28.6Very low29.4Very low116 Ų116134.1 Ų134.181%0.81177%0.774SS**  trans-16.5150.2144.9-92.50000115.1
1120S28.6Very low29.5Very low94 Ų94135.2 Ų135.266%0.65778%0.783SS**  cis178.6153.33230.10000109.6
1121T29.3Very low29.6Very low136 Ų136132.5 Ų132.583%0.83478%0.783SS**  trans57118.6144.652.80000121.2
1122I38.7Very low29.7Very low163 Ų163135.9 Ų135.984%0.83679%0.793SS**  trans-73.9144.2171.8-66.1155.7000111.6
1123N27.1Very low29.9Very low133 Ų133134.2 Ų134.271%0.71179%0.79SS**  trans178.9142.4148.2-105-4.8000107.7
1124W28.1Very low30.7Very low206 Ų206134.1 Ų134.178%0.7879%0.786SS**  cis-157150.917.9-110.892.2000109.5
1125T32.3Very low30.9Very low101 Ų101139 Ų13962%0.6279%0.794SS**  trans45.2123.6147.151.60000127.3
1126S36.2Very low31Very low106 Ų106138.4 Ų138.474%0.74179%0.79SS**  49.8125.512580.70000123.1
1127K27.2Very low31Very low218 Ų218143.4 Ų143.495%0.94880%0.8SS**  -165.5148126.9-113.7174.5-177175.80112.7
1128A36.4Very low30.9Very low98 Ų98144 Ų14481%0.8180%0.796SS**  trans-76.2164.5-178.600000114
1129K29.3Very low31Very low214 Ų214147.5 Ų147.593%0.9380%0.799SS**  trans-157.4141.1148.1-134.2172.4-176179.20113.8
1130A29.6Very low31.1Very low97 Ų97153 Ų15380%0.80280%0.801SS**  trans-79.2169.9-177.300000114.1
1131T29.9Very low31.3Very low139 Ų139155.4 Ų155.485%0.85381%0.807SS**  trans-105.8145.2172.3-35.30000110.1
1132L29.4Very low31.5Very low169 Ų169155.4 Ų155.489%0.88581%0.807SS**  trans-143.7143.7164.7-104.7156.3000110.3
1133T32Very low31.2Very low127 Ų127151.4 Ų151.478%0.77981%0.806SS**  trans-88.1168.8-175.644.30000113.9
1134P43.3Very low31.5Very low109 Ų109153.6 Ų153.671%0.70881%0.812SS**  trans-108.4146.81799.313.7000117.1
1135F31.3Very low31.7Very low206 Ų206150.1 Ų150.190%0.90481%0.814SS**  trans63.9140.8146-77.9-75.3000121.5
1136S31.4Very low32.6Very low96 Ų96151.4 Ų151.467%0.67182%0.824SS**  cis-166.3151.89.163.90000113.7
1137K28.8Very low32.5Very low202 Ų202153.5 Ų153.588%0.87886%0.863SS**  trans54.3140.5147.8-79.6176.5174.41750119.1
1138R26.5Very low32.8Very low224 Ų224150.3 Ų150.385%0.84586%0.858SS**  cis-168161.925.8-156.8178.3-176.2159.81109.7
1139N27.7Very low32.6Very low144 Ų144153.1 Ų153.177%0.7786%0.861SS**  trans92.1114.6159.1-77.6-1.1000122.7
1140R29.5Very low32.8Very low230 Ų230149.7 Ų149.787%0.86886%0.857SS**  trans-20.3136.9146.6-83.9173.9168.1168.9-5.7115.9
1141N32.5Very low32.9Very low146 Ų146152.8 Ų152.878%0.78186%0.86SS**  -174.1160.282.5-114.9-0.8000111.6
1142T34.4Very low33.1Very low135 Ų135153.6 Ų153.683%0.82886%0.861SS**  trans-53.5150.7179.3450000116.5
1143G32.2Very low33.4Very low79 Ų79152.6 Ų152.681%0.81486%0.859SS**  trans176.1114.9164.900000112.7
1144E34.5Very low33.5Very low180 Ų180154.4 Ų154.484%0.84187%0.865SS**  trans-70.2141.3-174.9-67.8161.1136.300114.7
1145T32.3Very low32.7Very low132 Ų132157.9 Ų157.981%0.8188%0.877SS**  trans45.6170.9132.972.50000121.4
1146P50.2Low32.8Very low128 Ų128153.9 Ų153.983%0.83188%0.875SS**  -125166.3-97.629.6-6.7000114.6
1147G34.2Very low33Very low151 Ų151159.2 Ų159.2100%1.55789%0.893SS**  trans-1520162.600000109.4

Retrieved 1,147 of 1,147 residues in 692.3 ms (Link to these results)

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