A0A060WWF0_ONCMY Loading...

Phospholipase A-2-activating protein

Plays a role in protein ubiquitination, sorting and degradation through its association with VCP. Involved in ubiquitin-mediated membrane proteins trafficking to late endosomes in an ESCRT-dependent manner, and hence plays a role in synaptic vesicle recycling. May play a role in macroautophagy, regulating for instance the clearance of damaged lysosomes. Plays a role in cerebellar Purkinje cell development. Positively regulates cytosolic and calcium-independent phospholipase A2 activities in a tumor necrosis factor alpha (TNF-alpha)- or lipopolysaccharide (LPS)-dependent manner, and hence prostaglandin E2 biosynthesis.

AlphaFold DB , UniProt , Accession A0A060WWF0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 799 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
1M33Very low73.3Confident241 Ų24170.4 Ų70.4100%1.18741%0.412SS*.  0133.50-67.5162.6-179.100105.9
2A31.2Very low75.1Confident96 Ų9668.8 Ų68.879%0.79341%0.408SS*.PPolyproline II helixtrans-64.1138.4169.500000108
3T42.1Very low76.6Confident116 Ų11664.1 Ų64.171%0.71238%0.379SS*.PPolyproline II helixtrans-57.1128.7163.5360000107.6N5T3-N5 PolarHBondContact O-N 3Å
4P56.1Low77.8Confident104 Ų10466.5 Ų66.568%0.67540%0.397SS*.PPolyproline II helixtrans-61127.7175.725.5-32.4000108.7S6P4-S6 PolarHBondContact O-N 2.98Å
5N75.4Confident78.4Confident92 Ų9263.7 Ų63.749%0.49239%0.387SS..PPolyproline II helixtrans-58.8123178.2-73.428.3000109.2T3 E299T3-N5 PolarHBondContact O-N 3Å; N5-E299 HydrophobicContact CB-CB 4.12Å; N5-E299 PolarHBondContact ND2-O 2.93Å
6S89.9Confident79.6Confident19 Ų1960.6 Ų60.613%0.13337%0.367CS..PPolyproline II helixtrans-93.1146.2174.550.90000110.3P4 K8P4-S6 PolarHBondContact O-N 2.98Å; S6-K8 PolarHBondContact O-N 3.16Å; S6-K8 WeakPolarHBondContact OG-CE 3.49Å
7Y95.9Very high80.6Confident6 Ų667.3 Ų67.32%0.02439%0.394CS..PPolyproline II helixtrans-70.5123.8172.3-81.5-89.7000109.6F240 I257 Q265 I267 G283 I285 F297 T298 E299Y7-F240 HydrophobicContact CE2-CZ 4.35Å; Y7-F240 VanDerWaalsContact OH-CE1 3.27Å; Y7-F240 WeakPolarHBondContact OH-CE1 3.34Å; Y7-F240 WeakPolarHBondContact OH-CZ 3.38Å; Y7-I257 HydrophobicContact CD2-CG1 3.99Å; Y7-I257 HydrophobicContact CD2-CG2 4.28Å; Y7-I257 HydrophobicContact CE2-CG2 4.22Å; Y7-I257 HydrophobicContact CG-CG1 4.49Å; Y7-Q265 PolarHBondContact O-NE2 3.37Å; Y7-I267 WeakPolarHBondContact O-CD1 3.3Å; Y7-G283 WeakPolarHBondContact CE1-O 3.33Å; Y7-G283 PolarHBondContact OH-O 2.97Å; Y7-I285 HydrophobicContact CD1-CD1 3.55Å; Y7-I285 HydrophobicContact CD1-CG1 4.13Å; Y7-I285 HydrophobicContact CD2-CD1 4.09Å; Y7-I285 HydrophobicContact CE1-CD1 3.52Å; Y7-I285 HydrophobicContact CE1-CG1 3.76Å; Y7-I285 HydrophobicContact CE2-CD1 4.05Å; Y7-I285 HydrophobicContact CG-CD1 3.84Å; Y7-F297 HydrophobicContact CD1-CB 4.24Å; Y7-T298 CarbonylContact C-O 3.56Å; Y7-T298 WeakPolarHBondContact CA-O 3.4Å; Y7-E299 HydrophobicContact CD1-CB 4.3Å; Y7-E299 HydrophobicContact CD2-CB 4.25Å; Y7-E299 HydrophobicContact CE1-CB 4.17Å; Y7-E299 HydrophobicContact CE1-CG 4.14Å; Y7-E299 HydrophobicContact CE2-CB 4.12Å; Y7-E299 HydrophobicContact CE2-CG 4.27Å; Y7-E299 WeakPolarHBondContact CE2-OE2 3.17Å; Y7-E299 HydrophobicContact CG-CB 4.34Å
8K95.5Very high81.5Confident65 Ų6567.5 Ų67.528%0.28339%0.391SS..EExtended strand (participates in β ladder)trans-121.8159.8174.6-60.5-163.2173.1-165.10110.1S6 S10 F297 T298 M304 L310 D371S6-K8 PolarHBondContact O-N 3.16Å; S6-K8 WeakPolarHBondContact OG-CE 3.49Å; K8-S10 PolarHBondContact O-N 3Å; K8-F297 CarbonylContact O-C 3.59Å; K8-F297 VanDerWaalsContact O-CA 3.25Å; K8-F297 WeakPolarHBondContact O-CA 3.43Å; K8-T298 PolarHBondContact N-O 2.56Å; K8-T298 PolarHBondContact O-N 2.78Å; K8-M304 HydrophobicContact CB-CE 4.17Å; K8-M304 HydrophobicContact CB-CG 4.19Å; K8-M304 HydrophobicContact CB-SD 3.91Å; K8-M304 HydrophobicContact CD-CE 4.39Å; K8-M304 HydrophobicContact CD-SD 3.99Å; K8-M304 HydrophobicContact CG-CE 4.17Å; K8-M304 HydrophobicContact CG-SD 4.16Å; K8-L310 HydrophobicContact CB-CD2 4.35Å; K8-D371 IonicContact NZ-OD1 3.78Å; K8-D371 PolarHBondContact NZ-OD1 3.18Å
9L96.4Very high82.4Confident7 Ų764.5 Ų64.54%0.03737%0.374CS..EExtended strand (participates in β ladder)trans-57.3131.9179.2-175.270.6000109R295 F297 A305 L310 F313L9-R295 HydrophobicContact CD1-CB 4.04Å; L9-R295 HydrophobicContact CD1-CG 4.38Å; L9-F297 HydrophobicContact CB-CD1 4.38Å; L9-F297 HydrophobicContact CB-CE1 4.17Å; L9-F297 HydrophobicContact CD1-CE1 4.05Å; L9-F297 HydrophobicContact CD1-CZ 4.16Å; L9-A305 HydrophobicContact CG-CB 4.45Å; L9-A305 VanDerWaalsContact O-CB 3.27Å; L9-A305 WeakPolarHBondContact O-CB 3.48Å; L9-A305 PolarHBondContact O-N 2.78Å; L9-L310 HydrophobicContact CB-CD2 3.95Å; L9-F313 HydrophobicContact CD2-CB 3.88Å; L9-F313 HydrophobicContact CD2-CD2 4.19Å; L9-F313 HydrophobicContact CD2-CG 4.03Å
10S95.4Very high83.2Confident9 Ų961.3 Ų61.36%0.06336%0.355CS..EExtended strand (participates in β ladder)trans-98.5-51171.9-179.30000109.7K8 V296 R303 A305K8-S10 PolarHBondContact O-N 3Å; S10-V296 WeakPolarHBondContact CB-O 3.43Å; S10-V296 PolarHBondContact N-O 2.92Å; S10-R303 WeakPolarHBondContact CA-O 3.33Å; S10-R303 VanDerWaalsContact CB-O 3.26Å; S10-R303 WeakPolarHBondContact CB-O 3.16Å; S10-R303 PolarHBondContact OG-O 2.94Å; S10-A305 WeakPolarHBondContact O-CA 3.36Å; S10-A305 VanDerWaalsContact O-CB 3.3Å; S10-A305 WeakPolarHBondContact O-CB 3.38Å
11C94.9Very high83.9Confident19 Ų1960.6 Ų60.613%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-157.2156.2172.864.20000112.5V296C11-V296 PolarHBondContact N-O 2.82Å; C11-V296 PolarHBondContact O-N 2.96Å
12S95.1Very high87Confident52 Ų5249.4 Ų49.436%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-106.8127.6165-65.30000109P14S12-P14 WeakPolarHBondContact O-CD 3.49Å
13I95.3Very high90.2Very high7 Ų745.6 Ų45.64%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-112.1106-173.4-52.6160.6000108.2F33 W45 F55 I294 V296I13-F33 HydrophobicContact CD1-CE1 4.17Å; I13-F33 HydrophobicContact CD1-CZ 3.74Å; I13-W45 HydrophobicContact CG2-CD2 4.1Å; I13-W45 HydrophobicContact CG2-CE3 3.6Å; I13-W45 HydrophobicContact CG2-CH2 3.65Å; I13-W45 HydrophobicContact CG2-CZ2 4.13Å; I13-W45 HydrophobicContact CG2-CZ3 3.36Å; I13-F55 HydrophobicContact CD1-CB 3.78Å; I13-F55 HydrophobicContact CD1-CD2 3.62Å; I13-F55 HydrophobicContact CD1-CE2 4.49Å; I13-F55 HydrophobicContact CD1-CG 3.86Å; I13-F55 HydrophobicContact CG1-CB 4.27Å; I13-F55 HydrophobicContact CG1-CD2 4.42Å; I13-I294 HydrophobicContact CB-CB 4.23Å; I13-I294 HydrophobicContact CD1-CB 4.46Å; I13-I294 HydrophobicContact CD1-CG2 4.29Å; I13-I294 PolarHBondContact N-O 3.16Å; I13-I294 PolarHBondContact O-N 2.7Å; I13-V296 HydrophobicContact CD1-CG2 3.8Å
14P93Very high92.8Very high98 Ų9841.2 Ų41.264%0.63623%0.234SC*.  trans-75.9141.4168.831.9-32.9000110.2S12 L293S12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L293 HydrophobicContact CB-CD2 3.92Å
15G86.4Confident94.8Very high24 Ų2437.7 Ų37.725%0.24721%0.213CC..  trans-173.8-41.5178.700000114.2R43G15-R43 PolarHBondContact O-NE 2.96Å; G15-R43 PolarHBondContact O-NH1 2.87Å; G15-R43 PolarHBondContact O-NH2 3Å
16H97.5Very high95.6Very high14 Ų1433.5 Ų33.57%0.06519%0.192CC..  trans-96.8144.5-179.9-70.4-68.2000112.2M18 V20 S35 S37 D39 T41H16-M18 VanDerWaalsContact C-N 3.33Å; H16-M18 WeakPolarHBondContact CB-O 2.92Å; H16-V20 HydrophobicContact CB-CG2 4.21Å; H16-S35 PolarHBondContact CD2-OG 3.18Å; H16-S35 PolarHBondContact NE2-OG 3.07Å; H16-S37 VanDerWaalsContact CG-CB 3.41Å; H16-S37 WeakPolarHBondContact ND1-CB 2.99Å; H16-D39 VanDerWaalsContact CA-OD2 3.31Å; H16-D39 WeakPolarHBondContact CA-OD2 3.45Å; H16-D39 WeakPolarHBondContact CB-OD2 3.42Å; H16-D39 IonicContact CE1-OD2 3.82Å; H16-D39 IonicContact CG-OD2 2.8Å; H16-D39 IonicContact ND1-OD1 3.68Å; H16-D39 PolarHBondContact ND1-OD1 3.22Å; H16-D39 IonicContact ND1-OD2 3.93Å; H16-D39 PolarHBondContact ND1-OD2 3.25Å; H16-T41 PolarHBondContact CE1-OG1 2.93Å; H16-T41 VanDerWaalsContact CE1-OG1 3.23Å; H16-T41 PolarHBondContact ND1-OG1 3.25Å
17E96.6Very high95.5Very high175 Ų17538.8 Ų38.882%0.81821%0.212SC*.SBendtrans-85.1-10.9177.9-63.3-177.9174.800112.7D39E17-D39 HydrophobicContact CB-CB 4.24Å; E17-D39 PolarHBondContact N-OD2 3.41Å
18M97.6Very high95.1Very high71 Ų7142.5 Ų42.535%0.3523%0.229SC..SBendtrans-144.9171.5-179.9-56.8-176.674.200110.1H16 V20 S37 R38 D39 F67 G292H16-M18 VanDerWaalsContact C-N 3.33Å; H16-M18 WeakPolarHBondContact CB-O 2.92Å; M18-V20 PolarHBondContact O-N 3.24Å; M18-S37 VanDerWaalsContact C-OG 3.31Å; M18-S37 PolarHBondContact O-OG 2.82Å; M18-R38 HydrophobicContact CB-CB 3.83Å; M18-R38 HydrophobicContact CE-CB 3.98Å; M18-R38 HydrophobicContact SD-CB 4.02Å; M18-D39 HydrophobicContact CB-CB 4.35Å; M18-D39 HydrophobicContact CG-CB 4.33Å; M18-F67 HydrophobicContact CE-CZ 4.49Å; M18-G292 VanDerWaalsContact O-CA 3.32Å; M18-G292 WeakPolarHBondContact O-CA 3.31Å
19D97.6Very high94.8Very high11 Ų1141 Ų416%0.05923%0.226CC..  trans-38.5128.8-177.1-48.553.4000114.3R21 S37 R38 W275 A289 S290D19-R21 HydrophobicContact CB-CG 4.39Å; D19-R21 PolarHBondContact O-N 2.92Å; D19-S37 VanDerWaalsContact O-CA 3.27Å; D19-S37 WeakPolarHBondContact O-CA 3.44Å; D19-S37 WeakPolarHBondContact O-CB 3.45Å; D19-S37 PolarHBondContact O-OG 3.23Å; D19-R38 HydrophobicContact CB-CG 4.24Å; D19-R38 VanDerWaalsContact CG-CZ 3.45Å; D19-R38 PolarHBondContact O-N 3.28Å; D19-R38 IonicContact OD1-CZ 2.78Å; D19-R38 IonicContact OD1-NE 2.78Å; D19-R38 PolarHBondContact OD1-NE 3.49Å; D19-R38 IonicContact OD1-NH2 3.31Å; D19-R38 PolarHBondContact OD1-NH2 3.03Å; D19-R38 IonicContact OD2-CZ 2.95Å; D19-R38 IonicContact OD2-NE 2.59Å; D19-R38 IonicContact OD2-NH2 3.22Å; D19-R38 PolarHBondContact OD2-NH2 2.85Å; D19-R38 VanDerWaalsContact OD2-NH2 3.07Å; D19-W275 PolarHBondContact OD2-NE1 3.12Å; D19-A289 WeakPolarHBondContact CA-O 3.31Å; D19-S290 WeakPolarHBondContact OD2-CA 3.31Å; D19-S290 WeakPolarHBondContact OD2-CB 3.31Å
20V98.6Very high94.4Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-80.6111.6171.9-173.10000108.2H16 M18 L23 V36 W275 C276 A289 I294H16-V20 HydrophobicContact CB-CG2 4.21Å; M18-V20 PolarHBondContact O-N 3.24Å; V20-L23 HydrophobicContact CG1-CD2 4.44Å; V20-L23 HydrophobicContact CG1-CG 4.38Å; V20-V36 CarbonylContact C-O 3.6Å; V20-W275 WeakPolarHBondContact O-CB 3.26Å; V20-C276 PolarHBondContact O-SG 3.44Å; V20-A289 PolarHBondContact N-O 3.17Å; V20-I294 HydrophobicContact CB-CG1 4.5Å; V20-I294 HydrophobicContact CG1-CG1 4.1Å; V20-I294 HydrophobicContact CG2-CG1 3.89Å
21R98Very high94.2Very high46 Ų4647.2 Ų47.217%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-98.6-21.4-168.1-71.2-57.7-48.9-67.1-12.7114.5D19 V36 R38D19-R21 HydrophobicContact CB-CG 4.39Å; D19-R21 PolarHBondContact O-N 2.92Å; R21-V36 PolarHBondContact N-O 3.47Å; R21-R38 HydrophobicContact CG-CG 3.78Å
22G98.1Very high94.1Very high7 Ų746.3 Ų46.37%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-149.5149.3176.200000111.9S35 V36G22-S35 CarbonylContact O-C 3.29Å; G22-S35 WeakPolarHBondContact O-CA 3.28Å; G22-V36 PolarHBondContact N-O 2.8Å; G22-V36 PolarHBondContact O-N 3.45Å
23L98.4Very high94.2Very high15 Ų1543.9 Ų43.98%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-137.4143.1175.3-77.2170000109.3V20 F33 V34 C278 A286 V287 G288 I294V20-L23 HydrophobicContact CG1-CD2 4.44Å; V20-L23 HydrophobicContact CG1-CG 4.38Å; L23-F33 HydrophobicContact CD2-CD2 3.73Å; L23-F33 HydrophobicContact CD2-CE2 3.65Å; L23-V34 CarbonylContact C-O 3.59Å; L23-V34 VanDerWaalsContact CA-O 3.31Å; L23-V34 WeakPolarHBondContact CA-O 3.46Å; L23-C278 HydrophobicContact CB-CB 4.24Å; L23-A286 HydrophobicContact CD1-CB 4.25Å; L23-V287 VanDerWaalsContact CD1-C 3.43Å; L23-G288 VanDerWaalsContact CD1-N 3.3Å; L23-I294 HydrophobicContact CD1-CG2 4.4Å; L23-I294 HydrophobicContact CD2-CD1 4.42Å; L23-I294 HydrophobicContact CD2-CG2 4.25Å
24S97.8Very high94.4Very high25 Ų2543.5 Ų43.518%0.17524%0.236CC..EExtended strand (participates in β ladder)trans-149.4130.2172.7-163.80000110.4F33 V34S24-F33 CarbonylContact O-C 3.58Å; S24-F33 WeakPolarHBondContact O-CA 3.25Å; S24-F33 WeakPolarHBondContact O-CB 3.24Å; S24-V34 PolarHBondContact N-O 3.12Å; S24-V34 PolarHBondContact O-N 3.44Å
25A96.4Very high94.7Very high29 Ų2938.9 Ų38.924%0.2421%0.205CC..EExtended strand (participates in β ladder)trans-66.4141.7172.900000110.3I73 L280A25-I73 VanDerWaalsContact O-CG1 3.29Å; A25-I73 WeakPolarHBondContact O-CG1 3.44Å; A25-L280 HydrophobicContact CB-CD2 4.27Å
26A93.4Very high95.2Very high5 Ų537.7 Ų37.74%0.04119%0.194CC..  trans-106.8151.7-178.700000111.8F28 A32 I73 L99A26-F28 VanDerWaalsContact C-N 3.34Å; A26-A32 HydrophobicContact CB-CB 4.22Å; A26-A32 PolarHBondContact N-O 2.9Å; A26-I73 HydrophobicContact CB-CD1 4.41Å; A26-I73 HydrophobicContact CB-CG1 4.34Å; A26-L99 HydrophobicContact CB-CD2 4.29Å
27F87Confident95.3Very high129 Ų12937 Ų3757%0.56619%0.191SC*.SBendtrans-78.1-18.8176.9-62.7-74.2000113.4I73 A75 P76F27-I73 HydrophobicContact CD2-CG2 3.64Å; F27-I73 HydrophobicContact CE2-CG2 3.89Å; F27-A75 HydrophobicContact CE2-CB 4.15Å; F27-A75 HydrophobicContact CZ-CB 4.49Å; F27-P76 HydrophobicContact CB-CG 4.39Å
28F87.7Confident95.4Very high85 Ų8532.5 Ų32.537%0.37317%0.166SC..SBendtrans-151.9139.4-177-176.6-88.7000112A26 R82 L99A26-F28 VanDerWaalsContact C-N 3.34Å; F28-R82 HydrophobicContact CB-CB 4.31Å; F28-R82 HydrophobicContact CB-CG 4.4Å; F28-R82 HydrophobicContact CD1-CB 4.36Å; F28-R82 HydrophobicContact CD1-CG 3.85Å; F28-R82 HydrophobicContact CE1-CG 4.34Å; F28-R82 HydrophobicContact CG-CB 4.46Å; F28-R82 HydrophobicContact CG-CG 4.04Å; F28-L99 HydrophobicContact CB-CD1 4.45Å
29P88.9Confident95.4Very high34 Ų3429.9 Ų29.922%0.22115%0.153CC..SBendcis-64.2169.8-15.929.3-33.5000111A32 V46 M58P29-A32 HydrophobicContact CG-CB 4.01Å; P29-A32 WeakPolarHBondContact O-CB 3.26Å; P29-A32 PolarHBondContact O-N 3.12Å; P29-A32 VanDerWaalsContact O-N 3.09Å; P29-V46 HydrophobicContact CG-CB 4.16Å; P29-V46 HydrophobicContact CG-CG1 3.42Å; P29-V46 VanDerWaalsContact CG-CG1 3.42Å; P29-M58 HydrophobicContact CG-CE 4.01Å
30D89.4Confident95.4Very high135 Ų13536.1 Ų36.172%0.72218%0.176SC*.THydrogen-bonded Turntrans-59.6141.3-177.6-171.224.1000111.8A32D30-A32 PolarHBondContact O-N 3.37Å
31G90.1Very high95.4Very high11 Ų1137 Ų3711%0.11318%0.182CC..THydrogen-bonded Turntrans68.50.5-172.700000116.3F55G31-F55 WeakPolarHBondContact O-CE1 3.45Å
32A94.3Very high95.4Very high0 Ų035 Ų350%018%0.175CC..  trans-70.5157178.500000113.1A26 P29 D30 W45 V46A26-A32 HydrophobicContact CB-CB 4.22Å; A26-A32 PolarHBondContact N-O 2.9Å; P29-A32 HydrophobicContact CG-CB 4.01Å; P29-A32 WeakPolarHBondContact O-CB 3.26Å; P29-A32 PolarHBondContact O-N 3.12Å; P29-A32 VanDerWaalsContact O-N 3.09Å; D30-A32 PolarHBondContact O-N 3.37Å; A32-W45 VanDerWaalsContact CA-O 3.23Å; A32-W45 WeakPolarHBondContact CA-O 3.23Å; A32-W45 VanDerWaalsContact CB-O 3.31Å; A32-W45 WeakPolarHBondContact CB-O 3.38Å; A32-V46 HydrophobicContact CB-CG1 4.09Å
33F97.1Very high95.4Very high0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-149165.5171.872.1-93.2000111.5I13 L23 S24 W45 F55 L280 I294I13-F33 HydrophobicContact CD1-CE1 4.17Å; I13-F33 HydrophobicContact CD1-CZ 3.74Å; L23-F33 HydrophobicContact CD2-CD2 3.73Å; L23-F33 HydrophobicContact CD2-CE2 3.65Å; S24-F33 CarbonylContact O-C 3.58Å; S24-F33 WeakPolarHBondContact O-CA 3.25Å; S24-F33 WeakPolarHBondContact O-CB 3.24Å; F33-W45 HydrophobicContact CD1-CB 4.11Å; F33-W45 HydrophobicContact CD2-CB 4.3Å; F33-W45 AromaticContact CD2-CD1 3.84Å; F33-W45 HydrophobicContact CD2-CG 4.38Å; F33-W45 HydrophobicContact CE1-CB 3.79Å; F33-W45 HydrophobicContact CE1-CG 4.34Å; F33-W45 HydrophobicContact CE2-CB 3.98Å; F33-W45 AromaticContact CE2-CD1 3.32Å; F33-W45 AromaticContact CE2-CG 3.78Å; F33-W45 HydrophobicContact CE2-CG 3.78Å; F33-W45 HydrophobicContact CG-CB 4.35Å; F33-W45 HydrophobicContact CZ-CB 3.71Å; F33-W45 AromaticContact CZ-CD1 3.77Å; F33-W45 AromaticContact CZ-CG 3.75Å; F33-W45 HydrophobicContact CZ-CG 3.75Å; F33-W45 PolarHBondContact N-O 2.91Å; F33-W45 PolarHBondContact O-N 3.33Å; F33-F55 AromaticContact CD1-CD1 3.99Å; F33-F55 HydrophobicContact CD1-CD1 3.99Å; F33-F55 AromaticContact CD1-CE1 3.65Å; F33-F55 HydrophobicContact CD1-CE1 3.65Å; F33-F55 HydrophobicContact CD1-CZ 4.18Å; F33-F55 AromaticContact CE1-CD1 3.51Å; F33-F55 HydrophobicContact CE1-CD1 3.51Å; F33-F55 HydrophobicContact CE1-CD2 4.22Å; F33-F55 AromaticContact CE1-CE1 3.49Å; F33-F55 HydrophobicContact CE1-CE1 3.49Å; F33-F55 VanDerWaalsContact CE1-CE1 3.49Å; F33-F55 HydrophobicContact CE1-CE2 4.21Å; F33-F55 AromaticContact CE1-CG 3.9Å; F33-F55 HydrophobicContact CE1-CG 3.9Å; F33-F55 AromaticContact CE1-CZ 3.86Å; F33-F55 HydrophobicContact CE1-CZ 3.86Å; F33-L280 HydrophobicContact CB-CD2 3.76Å; F33-L280 HydrophobicContact CD1-CD1 4.31Å; F33-L280 HydrophobicContact CD1-CD2 3.87Å; F33-L280 HydrophobicContact CG-CD2 4.04Å; F33-I294 HydrophobicContact CE2-CD1 4.13Å; F33-I294 HydrophobicContact CE2-CG2 4.02Å; F33-I294 HydrophobicContact CZ-CG2 3.97Å
34V98.3Very high95.3Very high0 Ų036 Ų360%018%0.176CC..EExtended strand (participates in β ladder)trans-120.6136.4-178.7-176.60000109.9L23 S24 R43 V44 M61 V71 I73 I85L23-V34 CarbonylContact C-O 3.59Å; L23-V34 VanDerWaalsContact CA-O 3.31Å; L23-V34 WeakPolarHBondContact CA-O 3.46Å; S24-V34 PolarHBondContact N-O 3.12Å; S24-V34 PolarHBondContact O-N 3.44Å; V34-R43 WeakPolarHBondContact CA-O 3.19Å; V34-V44 HydrophobicContact CG2-CG2 4.2Å; V34-M61 HydrophobicContact CG1-CE 3.53Å; V34-V71 HydrophobicContact CB-CG2 4.3Å; V34-V71 HydrophobicContact CG1-CG2 3.87Å; V34-I73 HydrophobicContact CB-CD1 4.37Å; V34-I73 HydrophobicContact CG2-CD1 3.78Å; V34-I85 HydrophobicContact CG1-CD1 4.49Å; V34-I85 HydrophobicContact CG1-CG2 4.05Å; V34-I85 HydrophobicContact CG2-CD1 3.89Å; V34-I85 HydrophobicContact CG2-CG1 4.25Å
35S98.6Very high95.2Very high0 Ų035.1 Ų35.10%017%0.169CC..EExtended strand (participates in β ladder)trans-114.4157.9171.565.50000112H16 G22 G42 R43 W45H16-S35 PolarHBondContact CD2-OG 3.18Å; H16-S35 PolarHBondContact NE2-OG 3.07Å; G22-S35 CarbonylContact O-C 3.29Å; G22-S35 WeakPolarHBondContact O-CA 3.28Å; S35-G42 CarbonylContact O-C 3.54Å; S35-G42 WeakPolarHBondContact O-CA 3.44Å; S35-R43 PolarHBondContact N-O 2.76Å; S35-R43 PolarHBondContact O-N 2.84Å; S35-W45 PolarHBondContact OG-NE1 3.15Å
36V98.8Very high95.1Very high0 Ų034.7 Ų34.70%016%0.163CC..EExtended strand (participates in β ladder)trans-139.6149.3171.5-680000111.8V20 R21 G22 T41 V68 V71 T87V20-V36 CarbonylContact C-O 3.6Å; R21-V36 PolarHBondContact N-O 3.47Å; G22-V36 PolarHBondContact N-O 2.8Å; G22-V36 PolarHBondContact O-N 3.45Å; V36-T41 WeakPolarHBondContact CA-O 3.32Å; V36-V68 HydrophobicContact CB-CB 3.9Å; V36-V68 HydrophobicContact CB-CG1 3.55Å; V36-V68 HydrophobicContact CG1-CB 4.35Å; V36-V68 HydrophobicContact CG1-CG1 3.59Å; V36-V68 HydrophobicContact CG2-CG1 4.11Å; V36-V71 HydrophobicContact CG1-CB 3.78Å; V36-V71 HydrophobicContact CG1-CG1 4.2Å; V36-V71 HydrophobicContact CG1-CG2 4.33Å; V36-V71 HydrophobicContact CG2-CB 4.01Å; V36-V71 HydrophobicContact CG2-CG1 3.89Å; V36-T87 HydrophobicContact CG1-CG2 3.69Å
37S98.8Very high95Very high0 Ų037.1 Ų37.10%018%0.178CC..EExtended strand (participates in β ladder)trans-139.7162.7-171.2170.60000115.1H16 M18 D19 D39 R40 T41 V68H16-S37 VanDerWaalsContact CG-CB 3.41Å; H16-S37 WeakPolarHBondContact ND1-CB 2.99Å; M18-S37 VanDerWaalsContact C-OG 3.31Å; M18-S37 PolarHBondContact O-OG 2.82Å; D19-S37 VanDerWaalsContact O-CA 3.27Å; D19-S37 WeakPolarHBondContact O-CA 3.44Å; D19-S37 WeakPolarHBondContact O-CB 3.45Å; D19-S37 PolarHBondContact O-OG 3.23Å; S37-D39 WeakPolarHBondContact CB-OD1 3.37Å; S37-D39 PolarHBondContact O-N 2.89Å; S37-D39 PolarHBondContact OG-N 2.97Å; S37-R40 PolarHBondContact O-N 3.4Å; S37-T41 PolarHBondContact N-O 2.86Å; S37-V68 CarbonylContact C-O 3.45Å; S37-V68 PolarHBondContact O-N 2.85Å
38R98Very high95Very high79 Ų7932.2 Ų32.230%0.29816%0.158SC..THydrogen-bonded Turntrans-60.9-15.8165-59.2-158.2-70.4-172.21.5113.5M18 D19 R21 R40 F67M18-R38 HydrophobicContact CB-CB 3.83Å; M18-R38 HydrophobicContact CE-CB 3.98Å; M18-R38 HydrophobicContact SD-CB 4.02Å; D19-R38 HydrophobicContact CB-CG 4.24Å; D19-R38 VanDerWaalsContact CG-CZ 3.45Å; D19-R38 PolarHBondContact O-N 3.28Å; D19-R38 IonicContact OD1-CZ 2.78Å; D19-R38 IonicContact OD1-NE 2.78Å; D19-R38 PolarHBondContact OD1-NE 3.49Å; D19-R38 IonicContact OD1-NH2 3.31Å; D19-R38 PolarHBondContact OD1-NH2 3.03Å; D19-R38 IonicContact OD2-CZ 2.95Å; D19-R38 IonicContact OD2-NE 2.59Å; D19-R38 IonicContact OD2-NH2 3.22Å; D19-R38 PolarHBondContact OD2-NH2 2.85Å; D19-R38 VanDerWaalsContact OD2-NH2 3.07Å; R21-R38 HydrophobicContact CG-CG 3.78Å; R38-R40 PolarHBondContact O-N 2.82Å; R38-F67 HydrophobicContact CB-CB 4.36Å; R38-F67 HydrophobicContact CB-CD1 4.05Å; R38-F67 HydrophobicContact CB-CD2 4.24Å; R38-F67 HydrophobicContact CB-CE1 4.38Å; R38-F67 HydrophobicContact CB-CG 3.96Å; R38-F67 HydrophobicContact CG-CB 4.4Å; R38-F67 HydrophobicContact CG-CD2 4.12Å; R38-F67 HydrophobicContact CG-CG 4.19Å; R38-F67 WeakPolarHBondContact O-CD1 3.38Å; R38-F67 WeakPolarHBondContact O-CE1 3.34Å
39D97.6Very high94.3Very high16 Ų1634.6 Ų34.69%0.08619%0.185CC..THydrogen-bonded Turntrans-66.7-5.2172.771.510.6000114H16 E17 M18 S37 T41H16-D39 VanDerWaalsContact CA-OD2 3.31Å; H16-D39 WeakPolarHBondContact CA-OD2 3.45Å; H16-D39 WeakPolarHBondContact CB-OD2 3.42Å; H16-D39 IonicContact CE1-OD2 3.82Å; H16-D39 IonicContact CG-OD2 2.8Å; H16-D39 IonicContact ND1-OD1 3.68Å; H16-D39 PolarHBondContact ND1-OD1 3.22Å; H16-D39 IonicContact ND1-OD2 3.93Å; H16-D39 PolarHBondContact ND1-OD2 3.25Å; E17-D39 HydrophobicContact CB-CB 4.24Å; E17-D39 PolarHBondContact N-OD2 3.41Å; M18-D39 HydrophobicContact CB-CB 4.35Å; M18-D39 HydrophobicContact CG-CB 4.33Å; S37-D39 WeakPolarHBondContact CB-OD1 3.37Å; S37-D39 PolarHBondContact O-N 2.89Å; S37-D39 PolarHBondContact OG-N 2.97Å; D39-T41 VanDerWaalsContact CG-OG1 3.26Å; D39-T41 WeakPolarHBondContact OD1-CA 3.4Å; D39-T41 WeakPolarHBondContact OD1-CB 3.47Å; D39-T41 PolarHBondContact OD1-N 3.39Å; D39-T41 PolarHBondContact OD1-OG1 3.45Å; D39-T41 PolarHBondContact OD2-OG1 3.36Å
40R97.8Very high93.3Very high142 Ų14235.2 Ų35.254%0.53619%0.191SC..SBendtrans81.913-179.9-47.2166.8-71.6179.1-3114.2S37 R38 F67S37-R40 PolarHBondContact O-N 3.4Å; R38-R40 PolarHBondContact O-N 2.82Å; R40-F67 HydrophobicContact CG-CD1 4.42Å
41T98.3Very high91.9Very high20 Ų2035 Ų3512%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-112.2158178.372.40000112.6H16 V36 S37 D39 C60 M61H16-T41 PolarHBondContact CE1-OG1 2.93Å; H16-T41 VanDerWaalsContact CE1-OG1 3.23Å; H16-T41 PolarHBondContact ND1-OG1 3.25Å; V36-T41 WeakPolarHBondContact CA-O 3.32Å; S37-T41 PolarHBondContact N-O 2.86Å; D39-T41 VanDerWaalsContact CG-OG1 3.26Å; D39-T41 WeakPolarHBondContact OD1-CA 3.4Å; D39-T41 WeakPolarHBondContact OD1-CB 3.47Å; D39-T41 PolarHBondContact OD1-N 3.39Å; D39-T41 PolarHBondContact OD1-OG1 3.45Å; D39-T41 PolarHBondContact OD2-OG1 3.36Å; T41-C60 VanDerWaalsContact CB-SG 3.53Å; T41-M61 WeakPolarHBondContact CA-O 3.26Å
42G98.2Very high90.7Very high4 Ų439.4 Ų39.44%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-115.3156.415500000110S35 C60 M61S35-G42 CarbonylContact O-C 3.54Å; S35-G42 WeakPolarHBondContact O-CA 3.44Å; G42-C60 CarbonylContact O-C 3.48Å; G42-M61 PolarHBondContact N-O 2.92Å; G42-M61 VanDerWaalsContact N-O 3.08Å; G42-M61 PolarHBondContact O-N 3.46Å
43R98.1Very high89.6Confident41 Ų4145.9 Ų45.916%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-136.4137.5-179.6-67.2175.4-168.4-114.86110.5G15 V34 S35 W45 E57 C60G15-R43 PolarHBondContact O-NE 2.96Å; G15-R43 PolarHBondContact O-NH1 2.87Å; G15-R43 PolarHBondContact O-NH2 3Å; V34-R43 WeakPolarHBondContact CA-O 3.19Å; S35-R43 PolarHBondContact N-O 2.76Å; S35-R43 PolarHBondContact O-N 2.84Å; R43-W45 HydrophobicContact CB-CZ2 3.9Å; R43-W45 HydrophobicContact CG-CZ2 4.43Å; R43-E57 WeakPolarHBondContact CD-OE2 3.35Å; R43-E57 IonicContact CZ-OE2 2.67Å; R43-E57 IonicContact NE-OE2 3.76Å; R43-E57 IonicContact NH1-OE1 2.73Å; R43-E57 IonicContact NH1-OE2 3.84Å; R43-E57 PolarHBondContact NH1-OE2 3.15Å; R43-C60 HydrophobicContact CG-CB 4.21Å
44V97.1Very high89Confident0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-96119.3174.9-175.90000108.2V34 M58 H59 M61 I85 L99V34-V44 HydrophobicContact CG2-CG2 4.2Å; V44-M58 HydrophobicContact CB-CB 4.29Å; V44-M58 HydrophobicContact CG1-CB 4.27Å; V44-M58 HydrophobicContact CG1-SD 4.5Å; V44-M58 PolarHBondContact O-N 2.87Å; V44-H59 PolarHBondContact N-O 2.99Å; V44-H59 VanDerWaalsContact N-O 3.11Å; V44-M61 HydrophobicContact CG2-CE 4.27Å; V44-M61 HydrophobicContact CG2-SD 4.28Å; V44-I85 HydrophobicContact CG2-CD1 3.73Å; V44-L99 HydrophobicContact CG1-CD2 4.15Å
45W96.3Very high88.8Confident7 Ų747.6 Ų47.63%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-105.7132.5-179-58.497.6000110.1I13 A32 F33 S35 R43 F55 E57 I294I13-W45 HydrophobicContact CG2-CD2 4.1Å; I13-W45 HydrophobicContact CG2-CE3 3.6Å; I13-W45 HydrophobicContact CG2-CH2 3.65Å; I13-W45 HydrophobicContact CG2-CZ2 4.13Å; I13-W45 HydrophobicContact CG2-CZ3 3.36Å; A32-W45 VanDerWaalsContact CA-O 3.23Å; A32-W45 WeakPolarHBondContact CA-O 3.23Å; A32-W45 VanDerWaalsContact CB-O 3.31Å; A32-W45 WeakPolarHBondContact CB-O 3.38Å; F33-W45 HydrophobicContact CD1-CB 4.11Å; F33-W45 HydrophobicContact CD2-CB 4.3Å; F33-W45 AromaticContact CD2-CD1 3.84Å; F33-W45 HydrophobicContact CD2-CG 4.38Å; F33-W45 HydrophobicContact CE1-CB 3.79Å; F33-W45 HydrophobicContact CE1-CG 4.34Å; F33-W45 HydrophobicContact CE2-CB 3.98Å; F33-W45 AromaticContact CE2-CD1 3.32Å; F33-W45 AromaticContact CE2-CG 3.78Å; F33-W45 HydrophobicContact CE2-CG 3.78Å; F33-W45 HydrophobicContact CG-CB 4.35Å; F33-W45 HydrophobicContact CZ-CB 3.71Å; F33-W45 AromaticContact CZ-CD1 3.77Å; F33-W45 AromaticContact CZ-CG 3.75Å; F33-W45 HydrophobicContact CZ-CG 3.75Å; F33-W45 PolarHBondContact N-O 2.91Å; F33-W45 PolarHBondContact O-N 3.33Å; S35-W45 PolarHBondContact OG-NE1 3.15Å; R43-W45 HydrophobicContact CB-CZ2 3.9Å; R43-W45 HydrophobicContact CG-CZ2 4.43Å; W45-F55 HydrophobicContact CB-CB 4.36Å; W45-F55 HydrophobicContact CB-CD1 4.15Å; W45-F55 HydrophobicContact CE3-CB 4.48Å; W45-E57 HydrophobicContact CE3-CB 4.19Å; W45-E57 HydrophobicContact CH2-CB 4.32Å; W45-E57 HydrophobicContact CZ3-CB 3.84Å; W45-I294 HydrophobicContact CZ2-CD1 4.06Å
46V94.3Very high88.6Confident21 Ų2150.9 Ų50.913%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-121.8143.1176.5-62.10000110.8P29 A32 N48 F55 T56 M58P29-V46 HydrophobicContact CG-CB 4.16Å; P29-V46 HydrophobicContact CG-CG1 3.42Å; P29-V46 VanDerWaalsContact CG-CG1 3.42Å; A32-V46 HydrophobicContact CB-CG1 4.09Å; V46-N48 PolarHBondContact O-N 3.49Å; V46-F55 CarbonylContact O-C 3.48Å; V46-F55 VanDerWaalsContact O-CA 3.3Å; V46-F55 WeakPolarHBondContact O-CA 3.5Å; V46-T56 WeakPolarHBondContact CG2-OG1 3.22Å; V46-T56 PolarHBondContact N-O 3.33Å; V46-T56 PolarHBondContact O-N 2.87Å; V46-M58 HydrophobicContact CG1-CB 4.18Å; V46-M58 HydrophobicContact CG1-CE 3.5Å; V46-M58 VanDerWaalsContact CG1-CE 3.5Å
47P91.5Very high88.3Confident55 Ų5554.6 Ų54.636%0.35729%0.288SS..EExtended strand (participates in β ladder)trans-54.8132.5172.6-24.633.9000110.6F55P47-F55 HydrophobicContact CB-CE1 4.46Å; P47-F55 HydrophobicContact CG-CD1 4.41Å; P47-F55 HydrophobicContact CG-CE1 3.86Å; P47-F55 HydrophobicContact CG-CZ 4.48Å
48N85.2Confident88.1Confident26 Ų2658.4 Ų58.414%0.13931%0.307CS..  trans-80.2156.1177.773.719.8000110.7V46 S50 D52 R53 G54 T56V46-N48 PolarHBondContact O-N 3.49Å; N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact ND2-OG 3.03Å; N48-S50 PolarHBondContact OD1-N 2.97Å; N48-S50 PolarHBondContact OD1-OG 3.46Å; N48-S50 VanDerWaalsContact OD1-OG 3.11Å; N48-D52 PolarHBondContact ND2-OD1 2.81Å; N48-D52 PolarHBondContact ND2-OD2 3.23Å; N48-D52 PolarHBondContact OD1-OD1 2.67Å; N48-R53 WeakPolarHBondContact OD1-CA 3.27Å; N48-R53 PolarHBondContact OD1-N 3.42Å; N48-G54 VanDerWaalsContact CG-C 3.47Å; N48-G54 VanDerWaalsContact CG-O 3.24Å; N48-G54 PolarHBondContact N-O 2.73Å; N48-G54 PolarHBondContact ND2-N 3.08Å; N48-G54 PolarHBondContact OD1-N 2.86Å; N48-G54 PolarHBondContact OD1-O 3.04Å; N48-T56 HydrophobicContact CB-CG2 4.02Å
49S74.3Confident87.9Confident136 Ų13655.9 Ų55.995%0.95130%0.299SS*.SBendtrans-89.49.7176.4-50.60000113
50S67.4Low87.8Confident47 Ų4756.6 Ų56.633%0.32931%0.305SS..SBendtrans-92.4164.5-172.137.80000112.5N48 D52 R53N48-S50 VanDerWaalsContact C-N 3.27Å; N48-S50 PolarHBondContact ND2-OG 3.03Å; N48-S50 PolarHBondContact OD1-N 2.97Å; N48-S50 PolarHBondContact OD1-OG 3.46Å; N48-S50 VanDerWaalsContact OD1-OG 3.11Å; S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact O-N 3.3Å; S50-D52 VanDerWaalsContact O-N 3.14Å; S50-D52 PolarHBondContact OG-OD1 2.78Å; S50-R53 PolarHBondContact O-N 3.42Å; S50-R53 VanDerWaalsContact O-N 3.1Å
51P60Low87.8Confident129 Ų12950 Ų5084%0.83828%0.28SS*.THydrogen-bonded Turntrans-64.8-17.8-174.7-22.534.6000114.6R53P51-R53 VanDerWaalsContact C-N 3.32Å
52D65.5Low87.8Confident105 Ų10551.8 Ų51.856%0.56129%0.291SS*.THydrogen-bonded Turntrans-77-14176.560.8-10.1000113.5N48 S50 G54N48-D52 PolarHBondContact ND2-OD1 2.81Å; N48-D52 PolarHBondContact ND2-OD2 3.23Å; N48-D52 PolarHBondContact OD1-OD1 2.67Å; S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact O-N 3.3Å; S50-D52 VanDerWaalsContact O-N 3.14Å; S50-D52 PolarHBondContact OG-OD1 2.78Å; D52-G54 PolarHBondContact O-N 2.83Å
53R70.9Confident87.6Confident136 Ų13653.5 Ų53.551%0.51331%0.308SS..  trans54.126.4173.7-55.9178.5178-162.8-5114.2N48 S50 P51 D302N48-R53 WeakPolarHBondContact OD1-CA 3.27Å; N48-R53 PolarHBondContact OD1-N 3.42Å; S50-R53 PolarHBondContact O-N 3.42Å; S50-R53 VanDerWaalsContact O-N 3.1Å; P51-R53 VanDerWaalsContact C-N 3.32Å; R53-D302 PolarHBondContact NH1-O 3.22Å
54G85.1Confident87.6Confident5 Ų552.3 Ų52.35%0.05231%0.305CS..  trans-85.2-152.9178.800000112.7N48 D52N48-G54 VanDerWaalsContact CG-C 3.47Å; N48-G54 VanDerWaalsContact CG-O 3.24Å; N48-G54 PolarHBondContact N-O 2.73Å; N48-G54 PolarHBondContact ND2-N 3.08Å; N48-G54 PolarHBondContact OD1-N 2.86Å; N48-G54 PolarHBondContact OD1-O 3.04Å; D52-G54 PolarHBondContact O-N 2.83Å
55F93.7Very high87.5Confident30 Ų3060 Ų6013%0.13234%0.341CS..EExtended strand (participates in β ladder)trans-126.7146.5-177.6-69.2-99.2000111.5I13 G31 F33 W45 V46 P47 L280 V296I13-F55 HydrophobicContact CD1-CB 3.78Å; I13-F55 HydrophobicContact CD1-CD2 3.62Å; I13-F55 HydrophobicContact CD1-CE2 4.49Å; I13-F55 HydrophobicContact CD1-CG 3.86Å; I13-F55 HydrophobicContact CG1-CB 4.27Å; I13-F55 HydrophobicContact CG1-CD2 4.42Å; G31-F55 WeakPolarHBondContact O-CE1 3.45Å; F33-F55 AromaticContact CD1-CD1 3.99Å; F33-F55 HydrophobicContact CD1-CD1 3.99Å; F33-F55 AromaticContact CD1-CE1 3.65Å; F33-F55 HydrophobicContact CD1-CE1 3.65Å; F33-F55 HydrophobicContact CD1-CZ 4.18Å; F33-F55 AromaticContact CE1-CD1 3.51Å; F33-F55 HydrophobicContact CE1-CD1 3.51Å; F33-F55 HydrophobicContact CE1-CD2 4.22Å; F33-F55 AromaticContact CE1-CE1 3.49Å; F33-F55 HydrophobicContact CE1-CE1 3.49Å; F33-F55 VanDerWaalsContact CE1-CE1 3.49Å; F33-F55 HydrophobicContact CE1-CE2 4.21Å; F33-F55 AromaticContact CE1-CG 3.9Å; F33-F55 HydrophobicContact CE1-CG 3.9Å; F33-F55 AromaticContact CE1-CZ 3.86Å; F33-F55 HydrophobicContact CE1-CZ 3.86Å; W45-F55 HydrophobicContact CB-CB 4.36Å; W45-F55 HydrophobicContact CB-CD1 4.15Å; W45-F55 HydrophobicContact CE3-CB 4.48Å; V46-F55 CarbonylContact O-C 3.48Å; V46-F55 VanDerWaalsContact O-CA 3.3Å; V46-F55 WeakPolarHBondContact O-CA 3.5Å; P47-F55 HydrophobicContact CB-CE1 4.46Å; P47-F55 HydrophobicContact CG-CD1 4.41Å; P47-F55 HydrophobicContact CG-CE1 3.86Å; P47-F55 HydrophobicContact CG-CZ 4.48Å; F55-L280 HydrophobicContact CZ-CD1 3.86Å; F55-V296 HydrophobicContact CD2-CG2 4.34Å; F55-V296 HydrophobicContact CE2-CG1 4.43Å; F55-V296 HydrophobicContact CE2-CG2 3.97Å
56T92.9Very high87.5Confident70 Ų7062.5 Ų62.543%0.42935%0.354SS..EExtended strand (participates in β ladder)trans-115.1144.7169.544.50000110.3V46 N48 M58V46-T56 WeakPolarHBondContact CG2-OG1 3.22Å; V46-T56 PolarHBondContact N-O 3.33Å; V46-T56 PolarHBondContact O-N 2.87Å; N48-T56 HydrophobicContact CB-CG2 4.02Å; T56-M58 PolarHBondContact O-N 2.74Å
57E94.3Very high87.6Confident77 Ų7765 Ų6536%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-66.2126.7168.2-178.3-179.3130.500109.6R43 W45 C60R43-E57 WeakPolarHBondContact CD-OE2 3.35Å; R43-E57 IonicContact CZ-OE2 2.67Å; R43-E57 IonicContact NE-OE2 3.76Å; R43-E57 IonicContact NH1-OE1 2.73Å; R43-E57 IonicContact NH1-OE2 3.84Å; R43-E57 PolarHBondContact NH1-OE2 3.15Å; W45-E57 HydrophobicContact CE3-CB 4.19Å; W45-E57 HydrophobicContact CH2-CB 4.32Å; W45-E57 HydrophobicContact CZ3-CB 3.84Å; E57-C60 WeakPolarHBondContact OE1-CB 3.2Å; E57-C60 PolarHBondContact OE1-N 2.89Å; E57-C60 VanDerWaalsContact OE1-N 3.08Å
58M93Very high87.9Confident81 Ų8162.5 Ų62.540%0.39935%0.347SS..EExtended strand (participates in β ladder)trans-78.4-48167.6-176.5-170-7000110.5P29 V44 V46 T56P29-M58 HydrophobicContact CG-CE 4.01Å; V44-M58 HydrophobicContact CB-CB 4.29Å; V44-M58 HydrophobicContact CG1-CB 4.27Å; V44-M58 HydrophobicContact CG1-SD 4.5Å; V44-M58 PolarHBondContact O-N 2.87Å; V46-M58 HydrophobicContact CG1-CB 4.18Å; V46-M58 HydrophobicContact CG1-CE 3.5Å; V46-M58 VanDerWaalsContact CG1-CE 3.5Å; T56-M58 PolarHBondContact O-N 2.74Å
59H93.8Very high88.5Confident26 Ų2661.6 Ų61.612%0.1234%0.343CS..EExtended strand (participates in β ladder)trans-165.4161.3170.159.5-87.3000111.6V44 L99V44-H59 PolarHBondContact N-O 2.99Å; V44-H59 VanDerWaalsContact N-O 3.11Å; H59-L99 PolarHBondContact CE1-O 3.16Å
60C96.8Very high89.6Confident31 Ų3155.6 Ų55.621%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-97.3121.7172-177.80000110.5T41 G42 R43 E57 P102T41-C60 VanDerWaalsContact CB-SG 3.53Å; G42-C60 CarbonylContact O-C 3.48Å; R43-C60 HydrophobicContact CG-CB 4.21Å; E57-C60 WeakPolarHBondContact OE1-CB 3.2Å; E57-C60 PolarHBondContact OE1-N 2.89Å; E57-C60 VanDerWaalsContact OE1-N 3.08Å; C60-P102 WeakPolarHBondContact O-CB 3.48Å
61M98Very high91.1Very high3 Ų354 Ų542%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-85.7132.7176.2-63.5178.3-64.700111.3V34 T41 G42 V44 I85 F97 P102V34-M61 HydrophobicContact CG1-CE 3.53Å; T41-M61 WeakPolarHBondContact CA-O 3.26Å; G42-M61 PolarHBondContact N-O 2.92Å; G42-M61 VanDerWaalsContact N-O 3.08Å; G42-M61 PolarHBondContact O-N 3.46Å; V44-M61 HydrophobicContact CG2-CE 4.27Å; V44-M61 HydrophobicContact CG2-SD 4.28Å; M61-I85 HydrophobicContact CE-CD1 4.04Å; M61-I85 HydrophobicContact CE-CG2 4.14Å; M61-I85 HydrophobicContact SD-CB 4.41Å; M61-I85 HydrophobicContact SD-CD1 3.5Å; M61-I85 WeakPolarHBondContact SD-CD1 3.29Å; M61-I85 HydrophobicContact SD-CG2 4.26Å; M61-F97 HydrophobicContact CB-CD1 4.05Å; M61-F97 HydrophobicContact CB-CE1 3.79Å; M61-F97 HydrophobicContact CB-CZ 4.13Å; M61-F97 HydrophobicContact CG-CD1 4Å; M61-F97 HydrophobicContact CG-CE1 4.26Å; M61-F97 HydrophobicContact CG-CG 4.34Å; M61-F97 HydrophobicContact SD-CB 3.95Å; M61-F97 HydrophobicContact SD-CD1 3.99Å; M61-F97 HydrophobicContact SD-CD2 3.96Å; M61-F97 HydrophobicContact SD-CE2 4.47Å; M61-F97 HydrophobicContact SD-CG 3.71Å; M61-P102 WeakPolarHBondContact CA-O 3.45Å
62T96.6Very high92.9Very high58 Ų5848.3 Ų48.336%0.35625%0.252SS..EExtended strand (participates in β ladder)trans-130.1142.4178.662.50000110.4P102 Q103 P104T62-P102 PolarHBondContact N-O 3.07Å; T62-Q103 PolarHBondContact OG1-NE2 2.73Å; T62-P104 WeakPolarHBondContact O-CD 3.37Å
63G94.8Very high94.3Very high39 Ų3943.7 Ų43.740%0.40223%0.227SC..  trans172.6-29.2174.700000114.2
64H97.9Very high95.4Very high17 Ų1737.9 Ų37.98%0.07921%0.206CC..  trans-70.7145.3172.7-72.5-76.9000112.1N66 V68 T87 G89 D91 N93H64-N66 WeakPolarHBondContact CB-O 3.33Å; H64-V68 HydrophobicContact CB-CG2 4.01Å; H64-T87 PolarHBondContact CD2-OG1 3.15Å; H64-T87 PolarHBondContact CE1-O 3.48Å; H64-T87 PolarHBondContact NE2-O 3Å; H64-T87 VanDerWaalsContact NE2-O 3.15Å; H64-T87 PolarHBondContact NE2-OG1 3.01Å; H64-G89 PolarHBondContact CE1-N 2.82Å; H64-D91 WeakPolarHBondContact CA-OD2 3.31Å; H64-D91 IonicContact CE1-OD1 3.31Å; H64-D91 IonicContact CG-OD1 3.21Å; H64-D91 IonicContact CG-OD2 2.91Å; H64-D91 IonicContact ND1-OD1 3.45Å; H64-D91 PolarHBondContact ND1-OD1 3.02Å; H64-D91 IonicContact ND1-OD2 2.81Å; H64-D91 PolarHBondContact ND1-OD2 2.76Å; H64-N93 PolarHBondContact CE1-O 2.85Å
65Q95.5Very high95.7Very high162 Ų16239.9 Ų39.976%0.75722%0.222SC*.SBendtrans-84.6-17.9177.4-59.7-178.211.300112.6D91Q65-D91 HydrophobicContact CB-CB 4.16Å; Q65-D91 PolarHBondContact N-OD2 2.87Å
66N96.6Very high95.5Very high58 Ų5841.5 Ų41.531%0.3124%0.236SC..SBendtrans-144.3-174.4179.8-152.1-10000111H64 V68 N90 D91H64-N66 WeakPolarHBondContact CB-O 3.33Å; N66-V68 PolarHBondContact O-N 2.87Å; N66-N90 HydrophobicContact CB-CB 4.26Å; N66-N90 PolarHBondContact ND2-OD1 2.99Å; N66-D91 HydrophobicContact CB-CB 4.34Å
67F94.8Very high95.1Very high75 Ų7540.9 Ų40.933%0.32923%0.234SC..  trans-46.1129.3-171.1-58.1-14.1000113.6M18 R38 R40 G89 N90M18-F67 HydrophobicContact CE-CZ 4.49Å; R38-F67 HydrophobicContact CB-CB 4.36Å; R38-F67 HydrophobicContact CB-CD1 4.05Å; R38-F67 HydrophobicContact CB-CD2 4.24Å; R38-F67 HydrophobicContact CB-CE1 4.38Å; R38-F67 HydrophobicContact CB-CG 3.96Å; R38-F67 HydrophobicContact CG-CB 4.4Å; R38-F67 HydrophobicContact CG-CD2 4.12Å; R38-F67 HydrophobicContact CG-CG 4.19Å; R38-F67 WeakPolarHBondContact O-CD1 3.38Å; R38-F67 WeakPolarHBondContact O-CE1 3.34Å; R40-F67 HydrophobicContact CG-CD1 4.42Å; F67-G89 WeakPolarHBondContact O-CA 3.42Å; F67-N90 HydrophobicContact CB-CB 4.16Å; F67-N90 PolarHBondContact O-N 3.32Å
68V98.4Very high94.5Very high2 Ų245.6 Ų45.61%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-83127172.3-1640000108.2V36 S37 H64 N66 T87V36-V68 HydrophobicContact CB-CB 3.9Å; V36-V68 HydrophobicContact CB-CG1 3.55Å; V36-V68 HydrophobicContact CG1-CB 4.35Å; V36-V68 HydrophobicContact CG1-CG1 3.59Å; V36-V68 HydrophobicContact CG2-CG1 4.11Å; S37-V68 CarbonylContact C-O 3.45Å; S37-V68 PolarHBondContact O-N 2.85Å; H64-V68 HydrophobicContact CB-CG2 4.01Å; N66-V68 PolarHBondContact O-N 2.87Å; V68-T87 HydrophobicContact CG1-CG2 4.43Å
69S97.6Very high94.1Very high7 Ų746.7 Ų46.75%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-109.1-27.2-164.3-62.90000113.4G88 V115S69-G88 PolarHBondContact N-O 3.32Å; S69-V115 WeakPolarHBondContact CB-O 3.41Å
70C98.5Very high93.9Very high10 Ų1049.1 Ų49.17%0.06828%0.282CS..EExtended strand (participates in β ladder)trans-157.3161-177.257.70000111.9T87 G88 V115 C116 T117C70-T87 WeakPolarHBondContact O-CA 3.21Å; C70-G88 PolarHBondContact N-O 2.78Å; C70-G88 PolarHBondContact O-N 2.93Å; C70-G88 VanDerWaalsContact SG-CA 3.57Å; C70-V115 PolarHBondContact SG-O 2.82Å; C70-C116 WeakPolarHBondContact CB-O 3.34Å; C70-T117 PolarHBondContact SG-N 3.24Å; C70-T117 VanDerWaalsContact SG-N 3.36Å
71V98.6Very high93.5Very high14 Ų1452.6 Ų52.69%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-147.2145.6178.159.50000110.5V34 V36 I85 A86 T87V34-V71 HydrophobicContact CB-CG2 4.3Å; V34-V71 HydrophobicContact CG1-CG2 3.87Å; V36-V71 HydrophobicContact CG1-CB 3.78Å; V36-V71 HydrophobicContact CG1-CG1 4.2Å; V36-V71 HydrophobicContact CG1-CG2 4.33Å; V36-V71 HydrophobicContact CG2-CB 4.01Å; V36-V71 HydrophobicContact CG2-CG1 3.89Å; V71-I85 HydrophobicContact CG2-CG2 3.7Å; V71-A86 CarbonylContact C-O 3.56Å; V71-A86 VanDerWaalsContact CA-O 3.31Å; V71-A86 WeakPolarHBondContact CA-O 3.46Å; V71-T87 HydrophobicContact CB-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 3.97Å
72C97.3Very high93.1Very high9 Ų957.6 Ų57.66%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-143159.4163.769.50000110.9A86 L118 L126C72-A86 PolarHBondContact N-O 3.44Å; C72-A86 PolarHBondContact O-N 2.91Å; C72-L118 HydrophobicContact CB-CB 4.21Å; C72-L126 WeakPolarHBondContact SG-CD1 3.5Å
73I95.9Very high92.9Very high7 Ų755 Ų554%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-101.1120.2175.8-56.5-57.8000110.1A25 A26 F27 V34 L84 I85 S120A25-I73 VanDerWaalsContact O-CG1 3.29Å; A25-I73 WeakPolarHBondContact O-CG1 3.44Å; A26-I73 HydrophobicContact CB-CD1 4.41Å; A26-I73 HydrophobicContact CB-CG1 4.34Å; F27-I73 HydrophobicContact CD2-CG2 3.64Å; F27-I73 HydrophobicContact CE2-CG2 3.89Å; V34-I73 HydrophobicContact CB-CD1 4.37Å; V34-I73 HydrophobicContact CG2-CD1 3.78Å; I73-L84 CarbonylContact C-O 3.57Å; I73-L84 WeakPolarHBondContact CA-O 3.3Å; I73-I85 HydrophobicContact CD1-CB 4.24Å; I73-I85 HydrophobicContact CD1-CG1 3.77Å; I73-I85 HydrophobicContact CD1-CG2 4.14Å; I73-S120 PolarHBondContact O-OG 3.34Å
74I94.1Very high92.9Very high15 Ų1553.6 Ų53.68%0.07729%0.291CS..EExtended strand (participates in β ladder)trans-78.3127.4170.6-55.7174000107.8G83 L84 A86I74-G83 CarbonylContact O-C 3.48Å; I74-G83 WeakPolarHBondContact O-CA 3.47Å; I74-L84 HydrophobicContact CB-CB 4.15Å; I74-L84 HydrophobicContact CD1-CB 4.3Å; I74-L84 PolarHBondContact N-O 3.43Å; I74-L84 PolarHBondContact O-N 3.4Å; I74-A86 HydrophobicContact CD1-CB 4.14Å; I74-A86 HydrophobicContact CG1-CB 4.42Å
75A90.1Very high92.9Very high46 Ų4652.8 Ų52.838%0.3829%0.287SS..PPolyproline II helixtrans-59.1153.7-176.600000113.2F27F27-A75 HydrophobicContact CE2-CB 4.15Å; F27-A75 HydrophobicContact CZ-CB 4.49Å
76P90.1Very high93Very high65 Ų6545.1 Ų45.142%0.42225%0.251SS..PPolyproline II helixtrans-51.2147.9174.4-28.535.4000114.7F27 Y80F27-P76 HydrophobicContact CB-CG 4.39Å; P76-Y80 WeakPolarHBondContact CA-O 3.33Å
77S85.3Confident93.1Very high57 Ų5742.5 Ų42.540%0.39924%0.237SC..  trans-142.1170174.263.80000110.4T79 Y80 P81S77-T79 PolarHBondContact O-N 3.26Å; S77-Y80 PolarHBondContact N-O 2.75Å; S77-Y80 CarbonylContact O-C 3.53Å; S77-Y80 PolarHBondContact O-N 3.15Å; S77-Y80 VanDerWaalsContact O-N 3.07Å; S77-Y80 PolarHBondContact OG-N 3.11Å; S77-P81 WeakPolarHBondContact O-CA 3.38Å; S77-P81 VanDerWaalsContact O-N 3.14Å
78D80.4Confident93.3Very high175 Ų17538.9 Ų38.994%0.93622%0.222SC*.SBendtrans-56.7-35.2177.8-62.9-26000112.6
79T84.3Confident93.3Very high105 Ų10538.8 Ų38.864%0.64422%0.221SC*.SBendtrans-76.2-37.4176.1-46.70000112.2S77S77-T79 PolarHBondContact O-N 3.26Å
80Y89.4Confident93.3Very high76 Ų7640.5 Ų40.530%0.29823%0.23SC..  trans-127.378.7-176.1-56.3-68.3000110P76 S77 R82 G83 L84 L105P76-Y80 WeakPolarHBondContact CA-O 3.33Å; S77-Y80 PolarHBondContact N-O 2.75Å; S77-Y80 CarbonylContact O-C 3.53Å; S77-Y80 PolarHBondContact O-N 3.15Å; S77-Y80 VanDerWaalsContact O-N 3.07Å; S77-Y80 PolarHBondContact OG-N 3.11Å; Y80-R82 PolarHBondContact O-N 3.31Å; Y80-G83 PolarHBondContact O-N 3.18Å; Y80-L84 HydrophobicContact CD1-CD2 3.69Å; Y80-L84 HydrophobicContact CD1-CG 4.37Å; Y80-L84 HydrophobicContact CD2-CD1 3.7Å; Y80-L84 HydrophobicContact CD2-CD2 4.21Å; Y80-L84 HydrophobicContact CD2-CG 4.04Å; Y80-L84 HydrophobicContact CE1-CD2 4.15Å; Y80-L84 HydrophobicContact CE2-CD1 3.93Å; Y80-L84 HydrophobicContact CG-CD1 4.07Å; Y80-L84 HydrophobicContact CG-CD2 3.72Å; Y80-L84 HydrophobicContact CG-CG 3.89Å; Y80-L105 HydrophobicContact CE1-CD2 3.72Å
81P88.5Confident93.3Very high104 Ų10441.1 Ų41.168%0.67523%0.232SC*.THydrogen-bonded Turntrans-69.7-5.5-170.326.7-36.4000114.7S77S77-P81 WeakPolarHBondContact O-CA 3.38Å; S77-P81 VanDerWaalsContact O-N 3.14Å
82R90.7Very high93.2Very high108 Ų10843.8 Ų43.841%0.40824%0.244SC..THydrogen-bonded Turntrans-100-10.5170.9-66176.5178.2162.60.5113F28 Y80 L99 D100F28-R82 HydrophobicContact CB-CB 4.31Å; F28-R82 HydrophobicContact CB-CG 4.4Å; F28-R82 HydrophobicContact CD1-CB 4.36Å; F28-R82 HydrophobicContact CD1-CG 3.85Å; F28-R82 HydrophobicContact CE1-CG 4.34Å; F28-R82 HydrophobicContact CG-CB 4.46Å; F28-R82 HydrophobicContact CG-CG 4.04Å; Y80-R82 PolarHBondContact O-N 3.31Å; R82-L99 HydrophobicContact CB-CB 4.47Å; R82-L99 HydrophobicContact CB-CD1 4.21Å; R82-L99 WeakPolarHBondContact O-CD1 3.42Å; R82-D100 IonicContact NH1-OD2 3.46Å; R82-D100 PolarHBondContact NH1-OD2 3.39Å
83G92Very high93.2Very high3 Ų344.6 Ų44.63%0.03125%0.247CC..  trans85-179.5-164.600000112.6I74 Y80I74-G83 CarbonylContact O-C 3.48Å; I74-G83 WeakPolarHBondContact O-CA 3.47Å; Y80-G83 PolarHBondContact O-N 3.18Å
84L95.4Very high93.4Very high11 Ų1144.3 Ų44.36%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-127.3158.9176.7-62.2173.1000110.3I73 I74 Y80 V96 F97 T98 L105I73-L84 CarbonylContact C-O 3.57Å; I73-L84 WeakPolarHBondContact CA-O 3.3Å; I74-L84 HydrophobicContact CB-CB 4.15Å; I74-L84 HydrophobicContact CD1-CB 4.3Å; I74-L84 PolarHBondContact N-O 3.43Å; I74-L84 PolarHBondContact O-N 3.4Å; Y80-L84 HydrophobicContact CD1-CD2 3.69Å; Y80-L84 HydrophobicContact CD1-CG 4.37Å; Y80-L84 HydrophobicContact CD2-CD1 3.7Å; Y80-L84 HydrophobicContact CD2-CD2 4.21Å; Y80-L84 HydrophobicContact CD2-CG 4.04Å; Y80-L84 HydrophobicContact CE1-CD2 4.15Å; Y80-L84 HydrophobicContact CE2-CD1 3.93Å; Y80-L84 HydrophobicContact CG-CD1 4.07Å; Y80-L84 HydrophobicContact CG-CD2 3.72Å; Y80-L84 HydrophobicContact CG-CG 3.89Å; L84-V96 HydrophobicContact CB-CG1 4.02Å; L84-V96 HydrophobicContact CD1-CG1 3.88Å; L84-V96 HydrophobicContact CG-CG1 4.44Å; L84-F97 WeakPolarHBondContact CA-O 3.43Å; L84-F97 WeakPolarHBondContact CD2-O 3.42Å; L84-T98 HydrophobicContact CD2-CG2 3.95Å; L84-L105 HydrophobicContact CD2-CD2 4.26Å
85I97.6Very high93.6Very high0 Ų043.7 Ų43.70%024%0.243CC..EExtended strand (participates in β ladder)trans-104.5130.7171.8-52167.8000107.6V34 V44 M61 V71 I73 T87 V96 F97 L99V34-I85 HydrophobicContact CG1-CD1 4.49Å; V34-I85 HydrophobicContact CG1-CG2 4.05Å; V34-I85 HydrophobicContact CG2-CD1 3.89Å; V34-I85 HydrophobicContact CG2-CG1 4.25Å; V44-I85 HydrophobicContact CG2-CD1 3.73Å; M61-I85 HydrophobicContact CE-CD1 4.04Å; M61-I85 HydrophobicContact CE-CG2 4.14Å; M61-I85 HydrophobicContact SD-CB 4.41Å; M61-I85 HydrophobicContact SD-CD1 3.5Å; M61-I85 WeakPolarHBondContact SD-CD1 3.29Å; M61-I85 HydrophobicContact SD-CG2 4.26Å; V71-I85 HydrophobicContact CG2-CG2 3.7Å; I73-I85 HydrophobicContact CD1-CB 4.24Å; I73-I85 HydrophobicContact CD1-CG1 3.77Å; I73-I85 HydrophobicContact CD1-CG2 4.14Å; I85-T87 HydrophobicContact CG2-CG2 4.1Å; I85-V96 CarbonylContact O-C 3.59Å; I85-V96 VanDerWaalsContact O-CA 3.27Å; I85-V96 WeakPolarHBondContact O-CA 3.36Å; I85-F97 HydrophobicContact CB-CB 4.33Å; I85-F97 PolarHBondContact N-O 3.12Å; I85-F97 PolarHBondContact O-N 3.24Å; I85-L99 HydrophobicContact CD1-CD2 3.86Å; I85-L99 HydrophobicContact CD1-CG 4.16Å; I85-L99 HydrophobicContact CG1-CD2 4.12Å; I85-L99 HydrophobicContact CG1-CG 4.06Å
86A98.3Very high94Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-115127.9169.700000110.1V71 C72 I74 I94 C95 V96 L118 L126V71-A86 CarbonylContact C-O 3.56Å; V71-A86 VanDerWaalsContact CA-O 3.31Å; V71-A86 WeakPolarHBondContact CA-O 3.46Å; C72-A86 PolarHBondContact N-O 3.44Å; C72-A86 PolarHBondContact O-N 2.91Å; I74-A86 HydrophobicContact CD1-CB 4.14Å; I74-A86 HydrophobicContact CG1-CB 4.42Å; A86-I94 HydrophobicContact CB-CG2 4.22Å; A86-C95 WeakPolarHBondContact CA-O 3.38Å; A86-V96 HydrophobicContact CB-CG2 4.19Å; A86-L118 HydrophobicContact CB-CD1 4.17Å; A86-L118 WeakPolarHBondContact O-CD1 3.38Å; A86-L126 HydrophobicContact CB-CD1 4.15Å; A86-L126 HydrophobicContact CB-CD2 4Å
87T98.8Very high94.3Very high3 Ų338.6 Ų38.62%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-120.5135.8178.164.20000111.1V36 H64 V68 C70 V71 I85 I94 C95 F97V36-T87 HydrophobicContact CG1-CG2 3.69Å; H64-T87 PolarHBondContact CD2-OG1 3.15Å; H64-T87 PolarHBondContact CE1-O 3.48Å; H64-T87 PolarHBondContact NE2-O 3Å; H64-T87 VanDerWaalsContact NE2-O 3.15Å; H64-T87 PolarHBondContact NE2-OG1 3.01Å; V68-T87 HydrophobicContact CG1-CG2 4.43Å; C70-T87 WeakPolarHBondContact O-CA 3.21Å; V71-T87 HydrophobicContact CB-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 3.97Å; I85-T87 HydrophobicContact CG2-CG2 4.1Å; T87-I94 CarbonylContact O-C 3.54Å; T87-I94 VanDerWaalsContact O-CA 3.24Å; T87-I94 WeakPolarHBondContact O-CA 3.31Å; T87-I94 WeakPolarHBondContact O-CG2 3.46Å; T87-C95 PolarHBondContact N-O 2.94Å; T87-C95 PolarHBondContact O-N 3.25Å; T87-F97 HydrophobicContact CG2-CE2 4.26Å; T87-F97 WeakPolarHBondContact OG1-CE2 3.4Å
88G98.6Very high94.7Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-107.9135.5178.200000111.5S69 C70 V115S69-G88 PolarHBondContact N-O 3.32Å; C70-G88 PolarHBondContact N-O 2.78Å; C70-G88 PolarHBondContact O-N 2.93Å; C70-G88 VanDerWaalsContact SG-CA 3.57Å; G88-V115 CarbonylContact C-O 3.58Å; G88-V115 VanDerWaalsContact C-O 3.29Å
89G97.6Very high95Very high0 Ų028.7 Ų28.70%015%0.149CC..EExtended strand (participates in β ladder)trans-118.6161.8-172.100000115.5H64 F67 D91 H92 N93 V115H64-G89 PolarHBondContact CE1-N 2.82Å; F67-G89 WeakPolarHBondContact O-CA 3.42Å; G89-D91 WeakPolarHBondContact CA-OD1 3.3Å; G89-D91 PolarHBondContact O-N 3.28Å; G89-H92 PolarHBondContact O-N 2.82Å; G89-H92 VanDerWaalsContact O-N 3.16Å; G89-N93 PolarHBondContact N-O 2.83Å; G89-N93 VanDerWaalsContact N-O 3.13Å; G89-V115 PolarHBondContact O-N 2.87Å
90N97.9Very high95Very high43 Ų4327.4 Ų27.423%0.2314%0.138CC..THydrogen-bonded Turntrans-63.3-21.6167.3176.1-103.4000112.4N66 F67 H92 T114N66-N90 HydrophobicContact CB-CB 4.26Å; N66-N90 PolarHBondContact ND2-OD1 2.99Å; F67-N90 HydrophobicContact CB-CB 4.16Å; F67-N90 PolarHBondContact O-N 3.32Å; N90-H92 PolarHBondContact O-CE1 2.99Å; N90-H92 PolarHBondContact O-N 2.88Å; N90-H92 PolarHBondContact O-ND1 2.87Å; N90-T114 HydrophobicContact CB-CG2 4.38Å; N90-T114 PolarHBondContact ND2-OG1 2.82Å
91D97.6Very high95.1Very high22 Ų2228.7 Ų28.712%0.11815%0.147CC..THydrogen-bonded Turntrans-74.810.4171.869.1-16.4000114.5H64 Q65 N66 G89 N93H64-D91 WeakPolarHBondContact CA-OD2 3.31Å; H64-D91 IonicContact CE1-OD1 3.31Å; H64-D91 IonicContact CG-OD1 3.21Å; H64-D91 IonicContact CG-OD2 2.91Å; H64-D91 IonicContact ND1-OD1 3.45Å; H64-D91 PolarHBondContact ND1-OD1 3.02Å; H64-D91 IonicContact ND1-OD2 2.81Å; H64-D91 PolarHBondContact ND1-OD2 2.76Å; Q65-D91 HydrophobicContact CB-CB 4.16Å; Q65-D91 PolarHBondContact N-OD2 2.87Å; N66-D91 HydrophobicContact CB-CB 4.34Å; G89-D91 WeakPolarHBondContact CA-OD1 3.3Å; G89-D91 PolarHBondContact O-N 3.28Å; D91-N93 PolarHBondContact O-N 2.94Å; D91-N93 VanDerWaalsContact O-N 3.13Å; D91-N93 PolarHBondContact O-ND2 2.95Å; D91-N93 PolarHBondContact OD1-N 2.73Å; D91-N93 PolarHBondContact OD2-ND2 3.04Å
92H97.8Very high95.4Very high71 Ų7126.3 Ų26.333%0.32913%0.131SC..SBendtrans69.83.4174.1-32.7-23000114.4G89 N90 N113 T114G89-H92 PolarHBondContact O-N 2.82Å; G89-H92 VanDerWaalsContact O-N 3.16Å; N90-H92 PolarHBondContact O-CE1 2.99Å; N90-H92 PolarHBondContact O-N 2.88Å; N90-H92 PolarHBondContact O-ND1 2.87Å; H92-N113 WeakPolarHBondContact CB-O 3.26Å; H92-N113 VanDerWaalsContact ND1-CA 3.34Å; H92-N113 WeakPolarHBondContact ND1-CA 3.31Å; H92-T114 PolarHBondContact ND1-N 3.21Å
93N97.9Very high95.7Very high26 Ų2626.1 Ų26.114%0.13914%0.135CC..  trans-93.1160179.8-60.1-52.6000111.3H64 G89 D91 T107H64-N93 PolarHBondContact CE1-O 2.85Å; G89-N93 PolarHBondContact N-O 2.83Å; G89-N93 VanDerWaalsContact N-O 3.13Å; D91-N93 PolarHBondContact O-N 2.94Å; D91-N93 VanDerWaalsContact O-N 3.13Å; D91-N93 PolarHBondContact O-ND2 2.95Å; D91-N93 PolarHBondContact OD1-N 2.73Å; D91-N93 PolarHBondContact OD2-ND2 3.04Å; N93-T107 HydrophobicContact CB-CG2 3.79Å
94I98.7Very high96Very high1 Ų127.9 Ų27.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-116118.5159.7-53.2166.2000107.4A86 T87 V96 T107 L108 V115 L118 L126 W138A86-I94 HydrophobicContact CB-CG2 4.22Å; T87-I94 CarbonylContact O-C 3.54Å; T87-I94 VanDerWaalsContact O-CA 3.24Å; T87-I94 WeakPolarHBondContact O-CA 3.31Å; T87-I94 WeakPolarHBondContact O-CG2 3.46Å; I94-V96 HydrophobicContact CG2-CG2 4.36Å; I94-T107 CarbonylContact O-C 3.6Å; I94-T107 WeakPolarHBondContact O-CA 3.28Å; I94-L108 HydrophobicContact CB-CB 4.04Å; I94-L108 HydrophobicContact CB-CD1 4.21Å; I94-L108 HydrophobicContact CB-CG 4.31Å; I94-L108 HydrophobicContact CD1-CB 4.48Å; I94-L108 HydrophobicContact CD1-CD1 4.18Å; I94-L108 HydrophobicContact CG2-CD1 4.26Å; I94-L108 PolarHBondContact N-O 3.07Å; I94-L108 PolarHBondContact O-N 2.68Å; I94-V115 HydrophobicContact CD1-CG1 4.39Å; I94-V115 HydrophobicContact CG1-CB 4.47Å; I94-V115 HydrophobicContact CG1-CG1 4.04Å; I94-V115 HydrophobicContact CG1-CG2 4.2Å; I94-L118 HydrophobicContact CD1-CD2 3.87Å; I94-L118 HydrophobicContact CG1-CD2 4.23Å; I94-L118 HydrophobicContact CG2-CD1 4.19Å; I94-L118 HydrophobicContact CG2-CD2 4.37Å; I94-L126 HydrophobicContact CD1-CD2 4.28Å; I94-L126 HydrophobicContact CG2-CD2 4.04Å; I94-W138 HydrophobicContact CD1-CZ2 4.06Å
95C98.4Very high96Very high2 Ų231.1 Ų31.11%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-94.1134.2174.2-69.80000109.2A86 T87 F97 P104A86-C95 WeakPolarHBondContact CA-O 3.38Å; T87-C95 PolarHBondContact N-O 2.94Å; T87-C95 PolarHBondContact O-N 3.25Å; C95-F97 HydrophobicContact CB-CD2 4.39Å; C95-F97 HydrophobicContact CB-CE2 3.42Å; C95-F97 VanDerWaalsContact CB-CE2 3.42Å; C95-F97 HydrophobicContact CB-CZ 3.72Å; C95-P104 HydrophobicContact CB-CB 4.17Å
96V97.8Very high95.9Very high1 Ų132.6 Ų32.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-117.7131.3179-177.30000109.5L84 I85 A86 I94 P104 L105 F106 L108L84-V96 HydrophobicContact CB-CG1 4.02Å; L84-V96 HydrophobicContact CD1-CG1 3.88Å; L84-V96 HydrophobicContact CG-CG1 4.44Å; I85-V96 CarbonylContact O-C 3.59Å; I85-V96 VanDerWaalsContact O-CA 3.27Å; I85-V96 WeakPolarHBondContact O-CA 3.36Å; A86-V96 HydrophobicContact CB-CG2 4.19Å; I94-V96 HydrophobicContact CG2-CG2 4.36Å; V96-P104 CarbonylContact O-C 3.58Å; V96-P104 WeakPolarHBondContact O-CA 3.27Å; V96-L105 WeakPolarHBondContact O-CB 3.3Å; V96-L105 PolarHBondContact O-N 3.12Å; V96-F106 HydrophobicContact CB-CD2 3.87Å; V96-F106 HydrophobicContact CB-CE1 4.4Å; V96-F106 HydrophobicContact CB-CE2 3.52Å; V96-F106 HydrophobicContact CB-CG 4.46Å; V96-F106 HydrophobicContact CB-CZ 3.81Å; V96-F106 HydrophobicContact CG1-CE1 4.2Å; V96-F106 HydrophobicContact CG1-CE2 3.92Å; V96-F106 HydrophobicContact CG1-CZ 3.67Å; V96-F106 HydrophobicContact CG2-CD2 4.02Å; V96-F106 HydrophobicContact CG2-CE2 3.48Å; V96-F106 VanDerWaalsContact CG2-CE2 3.48Å; V96-F106 HydrophobicContact CG2-CZ 4.1Å; V96-F106 PolarHBondContact N-O 3.1Å; V96-F106 PolarHBondContact O-N 3.49Å; V96-L108 HydrophobicContact CG2-CD1 4.49Å; V96-L108 HydrophobicContact CG2-CG 4.49Å
97F96.9Very high95.8Very high3 Ų335.1 Ų35.11%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-126.1152-172.5-54.8-104.7000110.6M61 L84 I85 T87 C95 Q103 P104M61-F97 HydrophobicContact CB-CD1 4.05Å; M61-F97 HydrophobicContact CB-CE1 3.79Å; M61-F97 HydrophobicContact CB-CZ 4.13Å; M61-F97 HydrophobicContact CG-CD1 4Å; M61-F97 HydrophobicContact CG-CE1 4.26Å; M61-F97 HydrophobicContact CG-CG 4.34Å; M61-F97 HydrophobicContact SD-CB 3.95Å; M61-F97 HydrophobicContact SD-CD1 3.99Å; M61-F97 HydrophobicContact SD-CD2 3.96Å; M61-F97 HydrophobicContact SD-CE2 4.47Å; M61-F97 HydrophobicContact SD-CG 3.71Å; L84-F97 WeakPolarHBondContact CA-O 3.43Å; L84-F97 WeakPolarHBondContact CD2-O 3.42Å; I85-F97 HydrophobicContact CB-CB 4.33Å; I85-F97 PolarHBondContact N-O 3.12Å; I85-F97 PolarHBondContact O-N 3.24Å; T87-F97 HydrophobicContact CG2-CE2 4.26Å; T87-F97 WeakPolarHBondContact OG1-CE2 3.4Å; C95-F97 HydrophobicContact CB-CD2 4.39Å; C95-F97 HydrophobicContact CB-CE2 3.42Å; C95-F97 VanDerWaalsContact CB-CE2 3.42Å; C95-F97 HydrophobicContact CB-CZ 3.72Å; F97-Q103 WeakPolarHBondContact CD1-O 3.48Å; F97-P104 HydrophobicContact CD1-CB 4.37Å; F97-P104 HydrophobicContact CE1-CB 4.02Å; F97-P104 HydrophobicContact CE1-CG 4.45Å; F97-P104 VanDerWaalsContact CE1-N 3.33Å; F97-P104 HydrophobicContact CZ-CB 4.14Å
98T93.3Very high95.8Very high19 Ų1935.2 Ų35.212%0.11719%0.185CC..EExtended strand (participates in β ladder)trans-78154.1159.365.80000109.4L84 D100 Q101 L105L84-T98 HydrophobicContact CD2-CG2 3.95Å; T98-D100 VanDerWaalsContact CB-OD1 3.28Å; T98-D100 WeakPolarHBondContact CB-OD1 3.45Å; T98-D100 PolarHBondContact O-N 3.08Å; T98-D100 PolarHBondContact OG1-OD1 2.85Å; T98-Q101 PolarHBondContact O-N 3.28Å; T98-Q101 WeakPolarHBondContact OG1-CB 3.48Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.42Å; T98-L105 HydrophobicContact CG2-CD2 4.14Å
99L86.9Confident95.6Very high5 Ų542.4 Ų42.43%0.02622%0.216CC..THydrogen-bonded Turntrans-65.52.2-178.5-100.9161.5000115.6A26 F28 V44 H59 R82 I85A26-L99 HydrophobicContact CB-CD2 4.29Å; F28-L99 HydrophobicContact CB-CD1 4.45Å; V44-L99 HydrophobicContact CG1-CD2 4.15Å; H59-L99 PolarHBondContact CE1-O 3.16Å; R82-L99 HydrophobicContact CB-CB 4.47Å; R82-L99 HydrophobicContact CB-CD1 4.21Å; R82-L99 WeakPolarHBondContact O-CD1 3.42Å; I85-L99 HydrophobicContact CD1-CD2 3.86Å; I85-L99 HydrophobicContact CD1-CG 4.16Å; I85-L99 HydrophobicContact CG1-CD2 4.12Å; I85-L99 HydrophobicContact CG1-CG 4.06Å
100D85.3Confident95.4Very high77 Ų7744.2 Ų44.241%0.41224%0.235SC..THydrogen-bonded Turntrans-132.44.2-17557.6-4.8000114.1R82 T98R82-D100 IonicContact NH1-OD2 3.46Å; R82-D100 PolarHBondContact NH1-OD2 3.39Å; T98-D100 VanDerWaalsContact CB-OD1 3.28Å; T98-D100 WeakPolarHBondContact CB-OD1 3.45Å; T98-D100 PolarHBondContact O-N 3.08Å; T98-D100 PolarHBondContact OG1-OD1 2.85Å
101Q91.6Very high95.4Very high104 Ų10442.9 Ų42.949%0.48623%0.228SC..  trans-126.9131.2-179.5-65.3-171.244.500112.9T98 Q103T98-Q101 PolarHBondContact O-N 3.28Å; T98-Q101 WeakPolarHBondContact OG1-CB 3.48Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.42Å; Q101-Q103 VanDerWaalsContact C-N 3.26Å; Q101-Q103 PolarHBondContact O-N 2.92Å
102P95.3Very high95.4Very high54 Ų5450.2 Ų50.235%0.35126%0.259SS..SBendtrans-77.9-4.6-177.732.6-37.3000114.4C60 M61 T62C60-P102 WeakPolarHBondContact O-CB 3.48Å; M61-P102 WeakPolarHBondContact CA-O 3.45Å; T62-P102 PolarHBondContact N-O 3.07Å
103Q96.7Very high95.4Very high103 Ų10349.5 Ų49.548%0.48126%0.257SS..SBendtrans-111.8147.1180-60.6-55.9-49.500110T62 F97 Q101 L105T62-Q103 PolarHBondContact OG1-NE2 2.73Å; F97-Q103 WeakPolarHBondContact CD1-O 3.48Å; Q101-Q103 VanDerWaalsContact C-N 3.26Å; Q101-Q103 PolarHBondContact O-N 2.92Å; Q103-L105 PolarHBondContact O-N 2.67Å
104P97.1Very high95.4Very high40 Ų4048.3 Ų48.326%0.2625%0.251SS..  trans-64.7134179.626.9-34.7000110.6T62 C95 V96 F97T62-P104 WeakPolarHBondContact O-CD 3.37Å; C95-P104 HydrophobicContact CB-CB 4.17Å; V96-P104 CarbonylContact O-C 3.58Å; V96-P104 WeakPolarHBondContact O-CA 3.27Å; F97-P104 HydrophobicContact CD1-CB 4.37Å; F97-P104 HydrophobicContact CE1-CB 4.02Å; F97-P104 HydrophobicContact CE1-CG 4.45Å; F97-P104 VanDerWaalsContact CE1-N 3.33Å; F97-P104 HydrophobicContact CZ-CB 4.14Å
105L95.6Very high95.4Very high79 Ų7948.3 Ų48.341%0.41425%0.251SS..SBendtrans-65.3-42.1169.1-178.167.3000110.5Y80 L84 V96 T98 Q103Y80-L105 HydrophobicContact CE1-CD2 3.72Å; L84-L105 HydrophobicContact CD2-CD2 4.26Å; V96-L105 WeakPolarHBondContact O-CB 3.3Å; V96-L105 PolarHBondContact O-N 3.12Å; T98-L105 HydrophobicContact CG2-CD2 4.14Å; Q103-L105 PolarHBondContact O-N 2.67Å
106F95.5Very high95.4Very high32 Ų3248.8 Ų48.814%0.1425%0.254CS..EExtended strand (participates in β ladder)trans-154.9173.8171.254.5-101.1000111.4V96 L108 E141V96-F106 HydrophobicContact CB-CD2 3.87Å; V96-F106 HydrophobicContact CB-CE1 4.4Å; V96-F106 HydrophobicContact CB-CE2 3.52Å; V96-F106 HydrophobicContact CB-CG 4.46Å; V96-F106 HydrophobicContact CB-CZ 3.81Å; V96-F106 HydrophobicContact CG1-CE1 4.2Å; V96-F106 HydrophobicContact CG1-CE2 3.92Å; V96-F106 HydrophobicContact CG1-CZ 3.67Å; V96-F106 HydrophobicContact CG2-CD2 4.02Å; V96-F106 HydrophobicContact CG2-CE2 3.48Å; V96-F106 VanDerWaalsContact CG2-CE2 3.48Å; V96-F106 HydrophobicContact CG2-CZ 4.1Å; V96-F106 PolarHBondContact N-O 3.1Å; V96-F106 PolarHBondContact O-N 3.49Å; F106-L108 HydrophobicContact CD2-CD2 3.85Å; F106-L108 HydrophobicContact CD2-CG 4.44Å; F106-L108 HydrophobicContact CE2-CD2 3.77Å; F106-L108 HydrophobicContact CE2-CG 4.33Å; F106-E141 HydrophobicContact CB-CG 4.1Å; F106-E141 HydrophobicContact CD1-CG 4.05Å; F106-E141 HydrophobicContact CD2-CG 3.77Å; F106-E141 HydrophobicContact CE1-CG 4.42Å; F106-E141 HydrophobicContact CE2-CG 4.13Å; F106-E141 HydrophobicContact CG-CG 3.72Å; F106-E141 HydrophobicContact CZ-CG 4.45Å
107T97Very high95.4Very high53 Ų5349.6 Ų49.633%0.32526%0.259SS..EExtended strand (participates in β ladder)trans-135.8117.7-179.2-53.30000110.9N93 I94 K109N93-T107 HydrophobicContact CB-CG2 3.79Å; I94-T107 CarbonylContact O-C 3.6Å; I94-T107 WeakPolarHBondContact O-CA 3.28Å; T107-K109 HydrophobicContact CG2-CG 4.37Å
108L97.6Very high95.5Very high4 Ų450.2 Ų50.22%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-79.4131.6175.3-44.3177.1000109.9I94 V96 F106 L126 W138 N140 E141I94-L108 HydrophobicContact CB-CB 4.04Å; I94-L108 HydrophobicContact CB-CD1 4.21Å; I94-L108 HydrophobicContact CB-CG 4.31Å; I94-L108 HydrophobicContact CD1-CB 4.48Å; I94-L108 HydrophobicContact CD1-CD1 4.18Å; I94-L108 HydrophobicContact CG2-CD1 4.26Å; I94-L108 PolarHBondContact N-O 3.07Å; I94-L108 PolarHBondContact O-N 2.68Å; V96-L108 HydrophobicContact CG2-CD1 4.49Å; V96-L108 HydrophobicContact CG2-CG 4.49Å; F106-L108 HydrophobicContact CD2-CD2 3.85Å; F106-L108 HydrophobicContact CD2-CG 4.44Å; F106-L108 HydrophobicContact CE2-CD2 3.77Å; F106-L108 HydrophobicContact CE2-CG 4.33Å; L108-L126 HydrophobicContact CD1-CD2 3.94Å; L108-W138 HydrophobicContact CB-CD2 4.33Å; L108-W138 HydrophobicContact CB-CE3 3.82Å; L108-W138 HydrophobicContact CB-CH2 4.24Å; L108-W138 HydrophobicContact CB-CZ3 3.77Å; L108-W138 HydrophobicContact CD1-CB 4.02Å; L108-W138 HydrophobicContact CD1-CD2 3.85Å; L108-W138 HydrophobicContact CD1-CE3 3.95Å; L108-W138 HydrophobicContact CD1-CG 3.88Å; L108-W138 HydrophobicContact CD2-CE3 4.39Å; L108-W138 HydrophobicContact CG-CE3 4.28Å; L108-N140 WeakPolarHBondContact CD2-O 3.14Å; L108-E141 VanDerWaalsContact CD2-CA 3.49Å; L108-E141 HydrophobicContact CD2-CB 4.46Å
109K96Very high95.7Very high151 Ų15150 Ų5066%0.65726%0.262SS*.  trans-127.3138.3-179.2-61.6-176.2179.41740109.5T107T107-K109 HydrophobicContact CG2-CG 4.37Å
110G93.3Very high96Very high39 Ų3951.7 Ų51.740%0.40227%0.274SS..  trans156.8-16.2176.600000115.7K136G110-K136 VanDerWaalsContact O-CE 3.24Å; G110-K136 WeakPolarHBondContact O-CE 3.46Å
111H97.8Very high96.1Very high14 Ų1448.9 Ų48.97%0.06526%0.263CS..  trans-74152.4164.2-84.6-61.6000111.1V115 S128 S130 D132 T134H111-V115 HydrophobicContact CB-CG2 3.97Å; H111-S128 PolarHBondContact CD2-OG 3.01Å; H111-S128 PolarHBondContact NE2-OG 3.26Å; H111-S130 WeakPolarHBondContact CE1-CB 3.38Å; H111-S130 WeakPolarHBondContact ND1-CB 3.41Å; H111-D132 VanDerWaalsContact CA-OD2 3.3Å; H111-D132 WeakPolarHBondContact CA-OD2 3.31Å; H111-D132 IonicContact CE1-OD1 2.84Å; H111-D132 IonicContact CE1-OD2 3.49Å; H111-D132 IonicContact CG-OD2 2.79Å; H111-D132 IonicContact ND1-OD1 3.86Å; H111-D132 PolarHBondContact ND1-OD1 2.92Å; H111-D132 IonicContact ND1-OD2 2.93Å; H111-D132 PolarHBondContact ND1-OD2 2.71Å; H111-T134 PolarHBondContact CE1-OG1 3.39Å; H111-T134 PolarHBondContact ND1-OG1 2.94Å
112K96.9Very high95.6Very high177 Ų17748.2 Ų48.277%0.7726%0.259SS*.SBendtrans-104.2-1.6-178.3-61.2179-178.1174.50113.4D132K112-D132 HydrophobicContact CB-CB 3.98Å; K112-D132 PolarHBondContact N-OD2 3.45Å
113N97.9Very high94.6Very high56 Ų5649.9 Ų49.930%0.29926%0.261SS..SBendtrans-155.1174.9178.4-154.5-25.6000109.6H92 V115 S130 W131 D132H92-N113 WeakPolarHBondContact CB-O 3.26Å; H92-N113 VanDerWaalsContact ND1-CA 3.34Å; H92-N113 WeakPolarHBondContact ND1-CA 3.31Å; N113-V115 PolarHBondContact O-N 3.37Å; N113-S130 PolarHBondContact O-OG 2.75Å; N113-W131 HydrophobicContact CB-CB 3.93Å; N113-D132 HydrophobicContact CB-CB 3.95Å
114T98.1Very high93.7Very high1 Ų146.3 Ų46.31%0.00625%0.251CS..  trans-35.2124.9179.4-58.10000113.3N90 H92 C116 S130 W131N90-T114 HydrophobicContact CB-CG2 4.38Å; N90-T114 PolarHBondContact ND2-OG1 2.82Å; H92-T114 PolarHBondContact ND1-N 3.21Å; T114-C116 HydrophobicContact CG2-CB 4.1Å; T114-S130 WeakPolarHBondContact O-CA 3.16Å; T114-S130 WeakPolarHBondContact O-CB 3.45Å; T114-S130 PolarHBondContact O-OG 3.07Å; T114-W131 HydrophobicContact CG2-CD2 4.24Å; T114-W131 HydrophobicContact CG2-CZ2 4.34Å; T114-W131 PolarHBondContact O-N 3.44Å
115V98.8Very high93.3Very high0 Ų044.6 Ų44.60%024%0.24CC..EExtended strand (participates in β ladder)trans-87.1107.4166.9-175.20000107.5S69 C70 G88 G89 I94 H111 N113 L118S69-V115 WeakPolarHBondContact CB-O 3.41Å; C70-V115 PolarHBondContact SG-O 2.82Å; G88-V115 CarbonylContact C-O 3.58Å; G88-V115 VanDerWaalsContact C-O 3.29Å; G89-V115 PolarHBondContact O-N 2.87Å; I94-V115 HydrophobicContact CD1-CG1 4.39Å; I94-V115 HydrophobicContact CG1-CB 4.47Å; I94-V115 HydrophobicContact CG1-CG1 4.04Å; I94-V115 HydrophobicContact CG1-CG2 4.2Å; H111-V115 HydrophobicContact CB-CG2 3.97Å; N113-V115 PolarHBondContact O-N 3.37Å; V115-L118 HydrophobicContact CG1-CD2 4.04Å; V115-L118 HydrophobicContact CG1-CG 4.46Å
116C97.6Very high93.3Very high12 Ų1241 Ų418%0.08122%0.221CC..EExtended strand (participates in β ladder)trans-108.9-5.3-169.960.10000114.4C70 T114 G129 W131 V154 W155C70-C116 WeakPolarHBondContact CB-O 3.34Å; T114-C116 HydrophobicContact CG2-CB 4.1Å; C116-G129 PolarHBondContact N-O 3.19Å; C116-W131 VanDerWaalsContact SG-CD1 3.54Å; C116-V154 PolarHBondContact SG-O 3.35Å; C116-W155 HydrophobicContact CB-CE3 4.11Å; C116-W155 HydrophobicContact CB-CZ3 4.21Å
117T98.6Very high93.4Very high19 Ų1939.6 Ų39.612%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-152.6146178.1-176.80000110.9C70 S128 G129 W155 V157C70-T117 PolarHBondContact SG-N 3.24Å; C70-T117 VanDerWaalsContact SG-N 3.36Å; T117-S128 WeakPolarHBondContact O-CA 3.44Å; T117-G129 PolarHBondContact O-N 2.93Å; T117-W155 VanDerWaalsContact CB-O 3.32Å; T117-W155 WeakPolarHBondContact CB-O 3.49Å; T117-W155 WeakPolarHBondContact CG2-O 3.5Å; T117-V157 HydrophobicContact CG2-CB 4.25Å; T117-V157 HydrophobicContact CG2-CG1 3.87Å; T117-V157 HydrophobicContact CG2-CG2 3.84Å; T117-V157 PolarHBondContact OG1-N 2.81Å
118L98.6Very high93.5Very high16 Ų1637 Ų378%0.08420%0.199CC..EExtended strand (participates in β ladder)trans-141.8145.7-179.1-69.8174.7000110.2C72 A86 I94 V115 L126 L127 S128C72-L118 HydrophobicContact CB-CB 4.21Å; A86-L118 HydrophobicContact CB-CD1 4.17Å; A86-L118 WeakPolarHBondContact O-CD1 3.38Å; I94-L118 HydrophobicContact CD1-CD2 3.87Å; I94-L118 HydrophobicContact CG1-CD2 4.23Å; I94-L118 HydrophobicContact CG2-CD1 4.19Å; I94-L118 HydrophobicContact CG2-CD2 4.37Å; V115-L118 HydrophobicContact CG1-CD2 4.04Å; V115-L118 HydrophobicContact CG1-CG 4.46Å; L118-L126 HydrophobicContact CB-CD1 4.44Å; L118-L126 HydrophobicContact CD2-CD1 4.29Å; L118-L126 HydrophobicContact CD2-CD2 4.23Å; L118-L126 HydrophobicContact CD2-CG 4.33Å; L118-L127 CarbonylContact C-O 3.53Å; L118-L127 WeakPolarHBondContact CA-O 3.38Å; L118-S128 VanDerWaalsContact CD2-CB 3.5Å
119S96.9Very high93.6Very high15 Ų1536.9 Ų36.911%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-144.6130171.5175.40000110.2L127 V158 I159S119-L127 PolarHBondContact N-O 2.98Å; S119-L127 PolarHBondContact O-N 3.35Å; S119-V158 WeakPolarHBondContact OG-CA 3.45Å; S119-I159 WeakPolarHBondContact O-CD1 3.25Å; S119-I159 PolarHBondContact OG-N 2.94Å; S119-I159 VanDerWaalsContact OG-N 3.1Å
120S93.1Very high93.7Very high40 Ų4029.7 Ų29.728%0.2817%0.167SC..EExtended strand (participates in β ladder)trans-90.9145.7175.253.50000111.7I73I73-S120 PolarHBondContact O-OG 3.34Å
121G88Confident93.9Very high18 Ų1832.5 Ų32.519%0.18617%0.166CC..  trans-123.1-165.4173.400000112T125G121-T125 PolarHBondContact N-O 3.11Å
122K80.6Confident93.9Very high90 Ų9033.1 Ų33.139%0.39117%0.169SC..G310 helixtrans-66.3158176.5-62.5-176.2178.6-177.10111.7G124 T125 P161 E162K122-G124 PolarHBondContact O-N 3Å; K122-G124 VanDerWaalsContact O-N 3.15Å; K122-T125 VanDerWaalsContact O-CB 3.31Å; K122-T125 WeakPolarHBondContact O-CB 3.28Å; K122-T125 PolarHBondContact O-N 2.97Å; K122-T125 PolarHBondContact O-OG1 2.79Å; K122-P161 WeakPolarHBondContact CE-O 3.38Å; K122-E162 IonicContact NZ-OE1 2.66Å; K122-E162 PolarHBondContact NZ-OE1 3.5Å; K122-E162 IonicContact NZ-OE2 3.96Å; K122-E162 PolarHBondContact NZ-OE2 3Å
123F74.4Confident94Very high89 Ų8926.7 Ų26.739%0.3915%0.145SC..G310 helixtrans5824.4174.4-46.5-72.2000115.7T125 L139 D764F123-T125 VanDerWaalsContact C-N 3.3Å; F123-L139 VanDerWaalsContact O-CD1 3.28Å; F123-L139 WeakPolarHBondContact O-CD1 3.23Å; F123-D764 HydrophobicContact CE1-CB 4.43Å; F123-D764 HydrophobicContact CE2-CB 3.72Å; F123-D764 HydrophobicContact CZ-CB 3.49Å; F123-D764 VanDerWaalsContact CZ-CB 3.49Å
124G79.1Confident94Very high27 Ų2724.7 Ų24.728%0.27814%0.135SC..G310 helixtrans77.812.3-176.700000114.4K122K122-G124 PolarHBondContact O-N 3Å; K122-G124 VanDerWaalsContact O-N 3.15Å
125T88.3Confident94Very high5 Ų524.7 Ų24.73%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-63.6133.9172.7-49.80000109.7G121 K122 F123 V137 W138 I159G121-T125 PolarHBondContact N-O 3.11Å; K122-T125 VanDerWaalsContact O-CB 3.31Å; K122-T125 WeakPolarHBondContact O-CB 3.28Å; K122-T125 PolarHBondContact O-N 2.97Å; K122-T125 PolarHBondContact O-OG1 2.79Å; F123-T125 VanDerWaalsContact C-N 3.3Å; T125-V137 HydrophobicContact CG2-CG1 3.76Å; T125-W138 WeakPolarHBondContact CA-O 3.25Å; T125-I159 HydrophobicContact CG2-CD1 4.2Å
126L95.4Very high93.9Very high4 Ų425.8 Ų25.82%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-125.6136.6176-179.172000109.5C72 A86 I94 L108 L118 V137 W138C72-L126 WeakPolarHBondContact SG-CD1 3.5Å; A86-L126 HydrophobicContact CB-CD1 4.15Å; A86-L126 HydrophobicContact CB-CD2 4Å; I94-L126 HydrophobicContact CD1-CD2 4.28Å; I94-L126 HydrophobicContact CG2-CD2 4.04Å; L108-L126 HydrophobicContact CD1-CD2 3.94Å; L118-L126 HydrophobicContact CB-CD1 4.44Å; L118-L126 HydrophobicContact CD2-CD1 4.29Å; L118-L126 HydrophobicContact CD2-CD2 4.23Å; L118-L126 HydrophobicContact CD2-CG 4.33Å; L126-V137 CarbonylContact O-C 3.55Å; L126-V137 WeakPolarHBondContact O-CA 3.26Å; L126-W138 HydrophobicContact CB-CB 4.27Å; L126-W138 PolarHBondContact N-O 3.04Å; L126-W138 PolarHBondContact O-N 3.28Å
127L97.6Very high93.7Very high1 Ų125.3 Ų25.31%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-113.8129.5173.3174.866.7000108.5L118 S119 A135 K136 V137 L147 V157 I159 M166L118-L127 CarbonylContact C-O 3.53Å; L118-L127 WeakPolarHBondContact CA-O 3.38Å; S119-L127 PolarHBondContact N-O 2.98Å; S119-L127 PolarHBondContact O-N 3.35Å; L127-A135 HydrophobicContact CD1-CB 4.16Å; L127-K136 CarbonylContact C-O 3.59Å; L127-K136 WeakPolarHBondContact CA-O 3.47Å; L127-V137 HydrophobicContact CD1-CG2 3.98Å; L127-L147 HydrophobicContact CD1-CD1 3.75Å; L127-V157 HydrophobicContact CD2-CB 3.71Å; L127-V157 HydrophobicContact CD2-CG1 4.45Å; L127-V157 HydrophobicContact CD2-CG2 4.21Å; L127-V157 HydrophobicContact CG-CB 3.77Å; L127-V157 HydrophobicContact CG-CG1 4.26Å; L127-V157 HydrophobicContact CG-CG2 3.9Å; L127-I159 HydrophobicContact CB-CD1 3.7Å; L127-I159 HydrophobicContact CB-CG1 3.66Å; L127-I159 HydrophobicContact CD2-CG1 3.8Å; L127-I159 HydrophobicContact CG-CG1 4.41Å; L127-M166 HydrophobicContact CD1-SD 4.18Å; L127-M166 HydrophobicContact CD2-CB 3.83Å; L127-M166 HydrophobicContact CD2-CG 4.22Å
128S98.7Very high93.4Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-120.5146.7177630000111.9H111 T117 L118 A135 K136 W138H111-S128 PolarHBondContact CD2-OG 3.01Å; H111-S128 PolarHBondContact NE2-OG 3.26Å; T117-S128 WeakPolarHBondContact O-CA 3.44Å; L118-S128 VanDerWaalsContact CD2-CB 3.5Å; S128-A135 CarbonylContact O-C 3.52Å; S128-A135 WeakPolarHBondContact O-CA 3.47Å; S128-A135 WeakPolarHBondContact O-CB 3.4Å; S128-K136 PolarHBondContact N-O 2.71Å; S128-K136 PolarHBondContact O-N 3.13Å; S128-K136 PolarHBondContact OG-O 2.75Å; S128-W138 PolarHBondContact OG-NE1 3.04Å
129G98.8Very high92.9Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-119.1141.1170.700000111.4C116 T117 V154C116-G129 PolarHBondContact N-O 3.19Å; T117-G129 PolarHBondContact O-N 2.93Å; G129-V154 CarbonylContact C-O 3.03Å
130S98.8Very high92.1Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-133.2158-174.2175.80000113.7H111 N113 T114 D132 T133 T134 V154H111-S130 WeakPolarHBondContact CE1-CB 3.38Å; H111-S130 WeakPolarHBondContact ND1-CB 3.41Å; N113-S130 PolarHBondContact O-OG 2.75Å; T114-S130 WeakPolarHBondContact O-CA 3.16Å; T114-S130 WeakPolarHBondContact O-CB 3.45Å; T114-S130 PolarHBondContact O-OG 3.07Å; S130-D132 WeakPolarHBondContact CB-OD1 3.45Å; S130-D132 PolarHBondContact O-N 3.19Å; S130-D132 VanDerWaalsContact OG-CG 3.3Å; S130-D132 PolarHBondContact OG-N 3.12Å; S130-D132 VanDerWaalsContact OG-N 3.08Å; S130-D132 PolarHBondContact OG-OD1 2.72Å; S130-T133 PolarHBondContact O-N 3.17Å; S130-T134 PolarHBondContact N-O 3.36Å; S130-T134 VanDerWaalsContact N-O 3.14Å; S130-V154 PolarHBondContact N-O 2.7Å; S130-V154 PolarHBondContact O-N 2.76Å
131W98.4Very high91.8Very high98 Ų9831.4 Ų31.437%0.37116%0.16SC..THydrogen-bonded Turntrans-65.6-7.1167.4-65.710.1000113.7N113 T114 C116 T133 A153 W155N113-W131 HydrophobicContact CB-CB 3.93Å; T114-W131 HydrophobicContact CG2-CD2 4.24Å; T114-W131 HydrophobicContact CG2-CZ2 4.34Å; T114-W131 PolarHBondContact O-N 3.44Å; C116-W131 VanDerWaalsContact SG-CD1 3.54Å; W131-T133 PolarHBondContact O-N 2.91Å; W131-A153 HydrophobicContact CB-CB 4.2Å; W131-A153 HydrophobicContact CG-CB 4.15Å; W131-W155 AromaticContact CE2-CH2 3.44Å; W131-W155 VanDerWaalsContact CE2-CH2 3.44Å; W131-W155 AromaticContact CE2-CZ2 3.87Å; W131-W155 AromaticContact CE2-CZ3 3.91Å; W131-W155 HydrophobicContact CH2-CH2 4.47Å; W131-W155 AromaticContact CZ2-CH2 3.34Å; W131-W155 HydrophobicContact CZ2-CH2 3.34Å; W131-W155 HydrophobicContact CZ2-CZ2 4.07Å; W131-W155 AromaticContact CZ2-CZ3 3.94Å; W131-W155 HydrophobicContact CZ2-CZ3 3.94Å; W131-W155 AromaticContact NE1-CE2 3.94Å; W131-W155 AromaticContact NE1-CE3 3.75Å; W131-W155 AromaticContact NE1-CH2 3.19Å; W131-W155 AromaticContact NE1-CZ2 3.51Å; W131-W155 AromaticContact NE1-CZ3 3.3Å; W131-W155 VanDerWaalsContact NE1-CZ3 3.3Å
132D97.9Very high91.6Very high27 Ų2732.8 Ų32.814%0.14416%0.161CC..THydrogen-bonded Turntrans-78.510.8172.772.914.2000114.3H111 K112 N113 S130 T134H111-D132 VanDerWaalsContact CA-OD2 3.3Å; H111-D132 WeakPolarHBondContact CA-OD2 3.31Å; H111-D132 IonicContact CE1-OD1 2.84Å; H111-D132 IonicContact CE1-OD2 3.49Å; H111-D132 IonicContact CG-OD2 2.79Å; H111-D132 IonicContact ND1-OD1 3.86Å; H111-D132 PolarHBondContact ND1-OD1 2.92Å; H111-D132 IonicContact ND1-OD2 2.93Å; H111-D132 PolarHBondContact ND1-OD2 2.71Å; K112-D132 HydrophobicContact CB-CB 3.98Å; K112-D132 PolarHBondContact N-OD2 3.45Å; N113-D132 HydrophobicContact CB-CB 3.95Å; S130-D132 WeakPolarHBondContact CB-OD1 3.45Å; S130-D132 PolarHBondContact O-N 3.19Å; S130-D132 VanDerWaalsContact OG-CG 3.3Å; S130-D132 PolarHBondContact OG-N 3.12Å; S130-D132 VanDerWaalsContact OG-N 3.08Å; S130-D132 PolarHBondContact OG-OD1 2.72Å; D132-T134 PolarHBondContact O-N 2.87Å; D132-T134 WeakPolarHBondContact OD1-CB 3.4Å; D132-T134 PolarHBondContact OD1-N 2.8Å; D132-T134 PolarHBondContact OD1-OG1 2.84Å
133T98.2Very high91.9Very high43 Ų4331 Ų3126%0.26416%0.159SC..SBendtrans70.42.6-177.7750000115.6S130 W131S130-T133 PolarHBondContact O-N 3.17Å; W131-T133 PolarHBondContact O-N 2.91Å
134T97.8Very high92.3Very high14 Ų1427.6 Ų27.69%0.08615%0.145CC..EExtended strand (participates in β ladder)trans-108.2155.1177.573.70000112.4H111 S130 D132 T146 L147H111-T134 PolarHBondContact CE1-OG1 3.39Å; H111-T134 PolarHBondContact ND1-OG1 2.94Å; S130-T134 PolarHBondContact N-O 3.36Å; S130-T134 VanDerWaalsContact N-O 3.14Å; D132-T134 PolarHBondContact O-N 2.87Å; D132-T134 WeakPolarHBondContact OD1-CB 3.4Å; D132-T134 PolarHBondContact OD1-N 2.8Å; D132-T134 PolarHBondContact OD1-OG1 2.84Å; T134-T146 HydrophobicContact CG2-CG2 3.98Å; T134-L147 WeakPolarHBondContact CA-O 3.25Å
135A98.5Very high92.5Very high1 Ų127.1 Ų27.11%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-107155.7154.500000109.7L127 S128 L147 V154 V157L127-A135 HydrophobicContact CD1-CB 4.16Å; S128-A135 CarbonylContact O-C 3.52Å; S128-A135 WeakPolarHBondContact O-CA 3.47Å; S128-A135 WeakPolarHBondContact O-CB 3.4Å; A135-L147 HydrophobicContact CB-CB 4.06Å; A135-L147 HydrophobicContact CB-CD1 4.06Å; A135-L147 HydrophobicContact CB-CG 4.42Å; A135-L147 PolarHBondContact N-O 2.57Å; A135-L147 WeakPolarHBondContact O-CB 3.49Å; A135-L147 PolarHBondContact O-N 3.33Å; A135-V154 HydrophobicContact CB-CG1 4.42Å; A135-V157 HydrophobicContact CB-CG1 4.14Å
136K96.5Very high92.5Very high23 Ų2329.9 Ų29.910%0.115%0.152CC..EExtended strand (participates in β ladder)trans-133.6141.5179.6-72.8175.9-177.2-77.50111G110 L127 S128 W138 M145 T146G110-K136 VanDerWaalsContact O-CE 3.24Å; G110-K136 WeakPolarHBondContact O-CE 3.46Å; L127-K136 CarbonylContact C-O 3.59Å; L127-K136 WeakPolarHBondContact CA-O 3.47Å; S128-K136 PolarHBondContact N-O 2.71Å; S128-K136 PolarHBondContact O-N 3.13Å; S128-K136 PolarHBondContact OG-O 2.75Å; K136-W138 HydrophobicContact CB-CZ2 3.8Å; K136-W138 HydrophobicContact CD-CH2 4.09Å; K136-W138 HydrophobicContact CD-CZ2 3.61Å; K136-W138 HydrophobicContact CG-CZ2 4.36Å; K136-W138 PolarHBondContact O-NE1 3.25Å; K136-M145 WeakPolarHBondContact CA-O 3.45Å; K136-T146 HydrophobicContact CG-CG2 4.2Å; K136-T146 PolarHBondContact NZ-OG1 3.13Å
137V93.7Very high92.4Very high1 Ų129.8 Ų29.81%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-105.4127.6176.6-171.80000107.8T125 L126 L127 C143 M144 M145 L147 M166T125-V137 HydrophobicContact CG2-CG1 3.76Å; L126-V137 CarbonylContact O-C 3.55Å; L126-V137 WeakPolarHBondContact O-CA 3.26Å; L127-V137 HydrophobicContact CD1-CG2 3.98Å; V137-C143 CarbonylContact O-C 3.6Å; V137-M144 PolarHBondContact O-N 3.4Å; V137-M145 HydrophobicContact CB-CB 4.15Å; V137-M145 HydrophobicContact CB-CE 3.98Å; V137-M145 HydrophobicContact CG1-CE 3.96Å; V137-M145 HydrophobicContact CG2-CB 4.22Å; V137-M145 HydrophobicContact CG2-CE 3.94Å; V137-M145 PolarHBondContact N-O 3.23Å; V137-M145 PolarHBondContact O-N 3.47Å; V137-L147 HydrophobicContact CG2-CD1 4.07Å; V137-L147 HydrophobicContact CG2-CD2 4.35Å; V137-L147 HydrophobicContact CG2-CG 4.22Å; V137-M166 HydrophobicContact CG1-CE 4.1Å; V137-M166 HydrophobicContact CG1-SD 4.4Å; V137-M166 HydrophobicContact CG2-CE 4.01Å; V137-M166 HydrophobicContact CG2-SD 3.42Å; V137-M166 WeakPolarHBondContact CG2-SD 3.36Å
138W93.1Very high92.1Very high4 Ų436.9 Ų36.92%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-120.7149-176.4-44.880.2000110.4I94 L108 T125 L126 S128 K136 K142 C143I94-W138 HydrophobicContact CD1-CZ2 4.06Å; L108-W138 HydrophobicContact CB-CD2 4.33Å; L108-W138 HydrophobicContact CB-CE3 3.82Å; L108-W138 HydrophobicContact CB-CH2 4.24Å; L108-W138 HydrophobicContact CB-CZ3 3.77Å; L108-W138 HydrophobicContact CD1-CB 4.02Å; L108-W138 HydrophobicContact CD1-CD2 3.85Å; L108-W138 HydrophobicContact CD1-CE3 3.95Å; L108-W138 HydrophobicContact CD1-CG 3.88Å; L108-W138 HydrophobicContact CD2-CE3 4.39Å; L108-W138 HydrophobicContact CG-CE3 4.28Å; T125-W138 WeakPolarHBondContact CA-O 3.25Å; L126-W138 HydrophobicContact CB-CB 4.27Å; L126-W138 PolarHBondContact N-O 3.04Å; L126-W138 PolarHBondContact O-N 3.28Å; S128-W138 PolarHBondContact OG-NE1 3.04Å; K136-W138 HydrophobicContact CB-CZ2 3.8Å; K136-W138 HydrophobicContact CD-CH2 4.09Å; K136-W138 HydrophobicContact CD-CZ2 3.61Å; K136-W138 HydrophobicContact CG-CZ2 4.36Å; K136-W138 PolarHBondContact O-NE1 3.25Å; W138-K142 CarbonylContact C-O 3.51Å; W138-K142 WeakPolarHBondContact CA-O 3.29Å; W138-C143 HydrophobicContact CD2-CB 4.36Å; W138-C143 HydrophobicContact CE3-CB 3.73Å; W138-C143 HydrophobicContact CH2-CB 4.14Å; W138-C143 HydrophobicContact CZ3-CB 3.6Å
139L86.6Confident91.8Very high4 Ų438.7 Ų38.72%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-139.4125.4168.7-175.566.4000106.9F123 E141 K142 M144 A726 L765F123-L139 VanDerWaalsContact O-CD1 3.28Å; F123-L139 WeakPolarHBondContact O-CD1 3.23Å; L139-E141 PolarHBondContact O-N 3.26Å; L139-K142 PolarHBondContact N-O 2.74Å; L139-K142 PolarHBondContact O-N 2.86Å; L139-K142 VanDerWaalsContact O-N 3.14Å; L139-M144 HydrophobicContact CB-CG 3.59Å; L139-M144 HydrophobicContact CB-SD 4.03Å; L139-A726 HydrophobicContact CD2-CB 3.63Å; L139-L765 HydrophobicContact CD2-CD1 4.2Å
140N81.3Confident91.7Very high84 Ų8439.2 Ų39.245%0.44921%0.206SC..THydrogen-bonded Turntrans50.2-128.3-168.7-54.2-34.6000110.8L108 K142L108-N140 WeakPolarHBondContact CD2-O 3.14Å; N140-K142 VanDerWaalsContact C-N 3.31Å; N140-K142 PolarHBondContact O-N 3.03Å
141E87.1Confident91.7Very high126 Ų12645 Ų4559%0.58924%0.241SC*.THydrogen-bonded Turntrans-84.95.5-177.1-66.2-175-105.700114.4F106 L108 L139F106-E141 HydrophobicContact CB-CG 4.1Å; F106-E141 HydrophobicContact CD1-CG 4.05Å; F106-E141 HydrophobicContact CD2-CG 3.77Å; F106-E141 HydrophobicContact CE1-CG 4.42Å; F106-E141 HydrophobicContact CE2-CG 4.13Å; F106-E141 HydrophobicContact CG-CG 3.72Å; F106-E141 HydrophobicContact CZ-CG 4.45Å; L108-E141 VanDerWaalsContact CD2-CA 3.49Å; L108-E141 HydrophobicContact CD2-CB 4.46Å; L139-E141 PolarHBondContact O-N 3.26Å
142K82.1Confident91.7Very high48 Ų4841.7 Ų41.721%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-122141.7-167-59.9-163.9-175.7173.10114.7W138 L139 N140 M144 E684 E723W138-K142 CarbonylContact C-O 3.51Å; W138-K142 WeakPolarHBondContact CA-O 3.29Å; L139-K142 PolarHBondContact N-O 2.74Å; L139-K142 PolarHBondContact O-N 2.86Å; L139-K142 VanDerWaalsContact O-N 3.14Å; N140-K142 VanDerWaalsContact C-N 3.31Å; N140-K142 PolarHBondContact O-N 3.03Å; K142-M144 HydrophobicContact CB-SD 4.19Å; K142-M144 PolarHBondContact O-N 2.84Å; K142-E684 VanDerWaalsContact CD-OE2 3.32Å; K142-E684 WeakPolarHBondContact CD-OE2 3.34Å; K142-E684 WeakPolarHBondContact CE-OE2 3.46Å; K142-E684 IonicContact NZ-OE2 3.02Å; K142-E684 PolarHBondContact NZ-OE2 3.32Å; K142-E723 VanDerWaalsContact CD-CD 3.45Å; K142-E723 HydrophobicContact CD-CG 4.17Å; K142-E723 VanDerWaalsContact CD-OE1 3.22Å; K142-E723 WeakPolarHBondContact CD-OE1 3.49Å; K142-E723 VanDerWaalsContact CE-CD 3.4Å; K142-E723 WeakPolarHBondContact CE-OE1 3.22Å; K142-E723 WeakPolarHBondContact CE-OE2 3.11Å; K142-E723 VanDerWaalsContact NZ-CD 3.33Å; K142-E723 IonicContact NZ-OE1 2.71Å; K142-E723 PolarHBondContact NZ-OE1 3.08Å; K142-E723 IonicContact NZ-OE2 3.19Å; K142-E723 PolarHBondContact NZ-OE2 3.26Å
143C88Confident91.7Very high52 Ų5241.2 Ų41.235%0.35124%0.235SC..EExtended strand (participates in β ladder)trans-78.1109.4169.1-179.90000109.1V137 W138V137-C143 CarbonylContact O-C 3.6Å; W138-C143 HydrophobicContact CD2-CB 4.36Å; W138-C143 HydrophobicContact CE3-CB 3.73Å; W138-C143 HydrophobicContact CH2-CB 4.14Å; W138-C143 HydrophobicContact CZ3-CB 3.6Å
144M82.6Confident91.7Very high18 Ų1839.2 Ų39.29%0.08922%0.223CC..EExtended strand (participates in β ladder)trans-83.9-35-178-57.4-50.5-50.700113.2V137 L139 K142 A726 Q727 S730V137-M144 PolarHBondContact O-N 3.4Å; L139-M144 HydrophobicContact CB-CG 3.59Å; L139-M144 HydrophobicContact CB-SD 4.03Å; K142-M144 HydrophobicContact CB-SD 4.19Å; K142-M144 PolarHBondContact O-N 2.84Å; M144-A726 HydrophobicContact CE-CB 3.43Å; M144-A726 VanDerWaalsContact CE-CB 3.43Å; M144-A726 HydrophobicContact SD-CB 4.35Å; M144-Q727 HydrophobicContact CE-CB 4.36Å; M144-Q727 HydrophobicContact CE-CG 3.73Å; M144-S730 PolarHBondContact O-OG 3.45Å
145M83.8Confident91.7Very high17 Ų1741.2 Ų41.28%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-148.7147.6179.5-64.5180-74.700110.6K136 V137 M166 A180 L769K136-M145 WeakPolarHBondContact CA-O 3.45Å; V137-M145 HydrophobicContact CB-CB 4.15Å; V137-M145 HydrophobicContact CB-CE 3.98Å; V137-M145 HydrophobicContact CG1-CE 3.96Å; V137-M145 HydrophobicContact CG2-CB 4.22Å; V137-M145 HydrophobicContact CG2-CE 3.94Å; V137-M145 PolarHBondContact N-O 3.23Å; V137-M145 PolarHBondContact O-N 3.47Å; M145-M166 HydrophobicContact CE-CE 4.07Å; M145-A180 VanDerWaalsContact SD-C 3.57Å; M145-L769 HydrophobicContact CE-CD2 3.52Å
146T88.1Confident91.7Very high63 Ų6341.2 Ų41.239%0.38723%0.229SC..EExtended strand (participates in β ladder)trans-114.3117.5167.4-60.70000109T134 K136 Q148T134-T146 HydrophobicContact CG2-CG2 3.98Å; K136-T146 HydrophobicContact CG-CG2 4.2Å; K136-T146 PolarHBondContact NZ-OG1 3.13Å; T146-Q148 PolarHBondContact O-N 2.81Å
147L92.9Very high91.8Very high1 Ų140.5 Ų40.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-88103.2179.7-49.9-178.3000108.1L127 T134 A135 V137 M166 W178L127-L147 HydrophobicContact CD1-CD1 3.75Å; T134-L147 WeakPolarHBondContact CA-O 3.25Å; A135-L147 HydrophobicContact CB-CB 4.06Å; A135-L147 HydrophobicContact CB-CD1 4.06Å; A135-L147 HydrophobicContact CB-CG 4.42Å; A135-L147 PolarHBondContact N-O 2.57Å; A135-L147 WeakPolarHBondContact O-CB 3.49Å; A135-L147 PolarHBondContact O-N 3.33Å; V137-L147 HydrophobicContact CG2-CD1 4.07Å; V137-L147 HydrophobicContact CG2-CD2 4.35Å; V137-L147 HydrophobicContact CG2-CG 4.22Å; L147-M166 HydrophobicContact CD1-SD 4.28Å; L147-W178 HydrophobicContact CB-CD2 3.86Å; L147-W178 HydrophobicContact CB-CE3 3.81Å; L147-W178 HydrophobicContact CB-CG 4.44Å; L147-W178 HydrophobicContact CB-CH2 4.25Å; L147-W178 HydrophobicContact CB-CZ2 4.26Å; L147-W178 HydrophobicContact CB-CZ3 4.02Å; L147-W178 HydrophobicContact CD1-CB 4.01Å; L147-W178 HydrophobicContact CD1-CD2 4.11Å; L147-W178 HydrophobicContact CD1-CG 3.79Å; L147-W178 HydrophobicContact CD2-CB 4.34Å; L147-W178 HydrophobicContact CD2-CD2 4.38Å; L147-W178 HydrophobicContact CD2-CE3 4.15Å; L147-W178 HydrophobicContact CD2-CG 4.48Å; L147-W178 HydrophobicContact CG-CD2 4.33Å; L147-W178 HydrophobicContact CG-CE3 4.41Å; L147-W178 HydrophobicContact CG-CG 4.46Å
148Q91.2Very high92Very high151 Ų15141.2 Ų41.271%0.70623%0.231SC*.EExtended strand (participates in β ladder)trans-115.3134.2-178-174.2176-1.800110.6T146 W178T146-Q148 PolarHBondContact O-N 2.81Å; Q148-W178 WeakPolarHBondContact O-CH2 3.48Å
149G91.7Very high92Very high38 Ų3841.9 Ų41.939%0.39223%0.234SC..  trans153.6-8178.500000115.9K176G149-K176 WeakPolarHBondContact O-CE 3.33Å; G149-K176 PolarHBondContact O-NZ 3.44Å
150H97.9Very high92.1Very high10 Ų1041.8 Ų41.85%0.04623%0.234CC..  trans-74.3151160.8-81.6-64.4000110.5V154 S168 S170 D172 T174 K176H150-V154 HydrophobicContact CB-CG2 4.16Å; H150-S168 PolarHBondContact CD2-OG 2.92Å; H150-S168 VanDerWaalsContact CD2-OG 3.23Å; H150-S168 PolarHBondContact NE2-O 2.8Å; H150-S168 PolarHBondContact NE2-OG 2.78Å; H150-S170 WeakPolarHBondContact CE1-CB 3.34Å; H150-S170 WeakPolarHBondContact ND1-CB 3.46Å; H150-D172 WeakPolarHBondContact CA-OD2 3.43Å; H150-D172 WeakPolarHBondContact CB-OD2 3.27Å; H150-D172 IonicContact CE1-OD1 3.31Å; H150-D172 IonicContact CE1-OD2 3.81Å; H150-D172 IonicContact CG-OD2 3.47Å; H150-D172 VanDerWaalsContact ND1-CG 3.32Å; H150-D172 IonicContact ND1-OD1 3.54Å; H150-D172 PolarHBondContact ND1-OD1 2.97Å; H150-D172 IonicContact ND1-OD2 3.41Å; H150-D172 PolarHBondContact ND1-OD2 2.91Å; H150-T174 PolarHBondContact CE1-OG1 2.82Å; H150-T174 PolarHBondContact ND1-OG1 2.73Å; H150-K176 WeakPolarHBondContact ND1-CE 3.25Å
151T97.6Very high91.8Very high122 Ų12240.6 Ų40.675%0.74823%0.231SC*.SBendtrans-100.3-4.1179.459.60000113.4D172T151-D172 PolarHBondContact N-OD2 3.06Å; T151-D172 WeakPolarHBondContact OG1-CB 3.27Å
152A98.2Very high90.8Very high28 Ų2840.4 Ų40.423%0.23123%0.23CC..SBendtrans-146.2178.2175.600000111.3V154 S170 A171 D172A152-V154 PolarHBondContact O-N 2.84Å; A152-S170 PolarHBondContact O-OG 3.42Å; A152-A171 HydrophobicContact CB-CB 3.77Å; A152-D172 HydrophobicContact CB-CB 4.13Å
153A98.2Very high89.8Confident18 Ų1841.8 Ų41.815%0.14924%0.237CC..  trans-47.6131.3-176.200000113.6W131 W155 S170 A171W131-A153 HydrophobicContact CB-CB 4.2Å; W131-A153 HydrophobicContact CG-CB 4.15Å; A153-W155 PolarHBondContact O-N 2.68Å; A153-S170 CarbonylContact O-C 3.47Å; A153-S170 VanDerWaalsContact O-CA 3.28Å; A153-S170 WeakPolarHBondContact O-CA 3.47Å; A153-S170 WeakPolarHBondContact O-CB 3.27Å; A153-S170 PolarHBondContact O-OG 2.94Å; A153-A171 HydrophobicContact CB-CB 4.4Å; A153-A171 PolarHBondContact O-N 2.92Å
154V98.8Very high89Confident1 Ų139.6 Ų39.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-86.1107.5175.6-178.80000108.7C116 G129 S130 A135 H150 A152 V157C116-V154 PolarHBondContact SG-O 3.35Å; G129-V154 CarbonylContact C-O 3.03Å; S130-V154 PolarHBondContact N-O 2.7Å; S130-V154 PolarHBondContact O-N 2.76Å; A135-V154 HydrophobicContact CB-CG1 4.42Å; H150-V154 HydrophobicContact CB-CG2 4.16Å; A152-V154 PolarHBondContact O-N 2.84Å; V154-V157 HydrophobicContact CG1-CG1 3.73Å
155W98.3Very high89.1Confident55 Ų5539 Ų3921%0.20822%0.22CC..EExtended strand (participates in β ladder)trans-98.5-22.4-171.3-77.4107.5000114.6C116 T117 W131 A153 G169 V194C116-W155 HydrophobicContact CB-CE3 4.11Å; C116-W155 HydrophobicContact CB-CZ3 4.21Å; T117-W155 VanDerWaalsContact CB-O 3.32Å; T117-W155 WeakPolarHBondContact CB-O 3.49Å; T117-W155 WeakPolarHBondContact CG2-O 3.5Å; W131-W155 AromaticContact CE2-CH2 3.44Å; W131-W155 VanDerWaalsContact CE2-CH2 3.44Å; W131-W155 AromaticContact CE2-CZ2 3.87Å; W131-W155 AromaticContact CE2-CZ3 3.91Å; W131-W155 HydrophobicContact CH2-CH2 4.47Å; W131-W155 AromaticContact CZ2-CH2 3.34Å; W131-W155 HydrophobicContact CZ2-CH2 3.34Å; W131-W155 HydrophobicContact CZ2-CZ2 4.07Å; W131-W155 AromaticContact CZ2-CZ3 3.94Å; W131-W155 HydrophobicContact CZ2-CZ3 3.94Å; W131-W155 AromaticContact NE1-CE2 3.94Å; W131-W155 AromaticContact NE1-CE3 3.75Å; W131-W155 AromaticContact NE1-CH2 3.19Å; W131-W155 AromaticContact NE1-CZ2 3.51Å; W131-W155 AromaticContact NE1-CZ3 3.3Å; W131-W155 VanDerWaalsContact NE1-CZ3 3.3Å; A153-W155 PolarHBondContact O-N 2.68Å; W155-G169 PolarHBondContact N-O 2.97Å; W155-V194 WeakPolarHBondContact CB-O 3.22Å
156A98.4Very high89.6Confident2 Ų238.4 Ų38.42%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-133140.4175.800000109.9S168 G169 L197A156-S168 CarbonylContact O-C 3.42Å; A156-S168 WeakPolarHBondContact O-CA 3.25Å; A156-G169 PolarHBondContact N-O 2.76Å; A156-G169 VanDerWaalsContact N-O 3.13Å; A156-G169 PolarHBondContact O-N 2.9Å; A156-L197 HydrophobicContact CB-CB 4.14Å; A156-L197 HydrophobicContact CB-CD1 3.94Å; A156-L197 HydrophobicContact CB-CG 3.71Å
157V98.6Very high90.1Very high7 Ų735.4 Ų35.44%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-138.1147.4168.7-62.50000110.4T117 L127 A135 V154 L167T117-V157 HydrophobicContact CG2-CB 4.25Å; T117-V157 HydrophobicContact CG2-CG1 3.87Å; T117-V157 HydrophobicContact CG2-CG2 3.84Å; T117-V157 PolarHBondContact OG1-N 2.81Å; L127-V157 HydrophobicContact CD2-CB 3.71Å; L127-V157 HydrophobicContact CD2-CG1 4.45Å; L127-V157 HydrophobicContact CD2-CG2 4.21Å; L127-V157 HydrophobicContact CG-CB 3.77Å; L127-V157 HydrophobicContact CG-CG1 4.26Å; L127-V157 HydrophobicContact CG-CG2 3.9Å; A135-V157 HydrophobicContact CB-CG1 4.14Å; V154-V157 HydrophobicContact CG1-CG1 3.73Å; V157-L167 CarbonylContact C-O 3.59Å; V157-L167 VanDerWaalsContact CA-O 3.26Å; V157-L167 WeakPolarHBondContact CA-O 3.44Å
158V96.9Very high90.4Very high16 Ų1635.4 Ų35.410%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-151.1140.9170.174.90000112.5S119 M166 L167 L197 V199S119-V158 WeakPolarHBondContact OG-CA 3.45Å; V158-M166 CarbonylContact O-C 3.6Å; V158-M166 WeakPolarHBondContact O-CA 3.12Å; V158-L167 HydrophobicContact CG1-CB 3.96Å; V158-L167 HydrophobicContact CG1-CD1 4.06Å; V158-L167 PolarHBondContact N-O 3.33Å; V158-L167 PolarHBondContact O-N 3.48Å; V158-L197 HydrophobicContact CB-CB 4.39Å; V158-L197 HydrophobicContact CG1-CB 3.97Å; V158-L197 HydrophobicContact CG1-CD1 4.4Å; V158-V199 HydrophobicContact CB-CG2 4.43Å; V158-V199 HydrophobicContact CG1-CG2 4.11Å; V158-V199 HydrophobicContact CG2-CG2 3.45Å; V158-V199 VanDerWaalsContact CG2-CG2 3.45Å
159I93.1Very high90.7Very high18 Ų1828.2 Ų28.29%0.09217%0.165CC..EExtended strand (participates in β ladder)trans-91.3134.2172.6-59.8170.7000108.8S119 T125 L127 M166S119-I159 WeakPolarHBondContact O-CD1 3.25Å; S119-I159 PolarHBondContact OG-N 2.94Å; S119-I159 VanDerWaalsContact OG-N 3.1Å; T125-I159 HydrophobicContact CG2-CD1 4.2Å; L127-I159 HydrophobicContact CB-CD1 3.7Å; L127-I159 HydrophobicContact CB-CG1 3.66Å; L127-I159 HydrophobicContact CD2-CG1 3.8Å; L127-I159 HydrophobicContact CG-CG1 4.41Å; I159-M166 HydrophobicContact CG1-CG 4.3Å
160L89.4Confident91.1Very high2 Ų226.4 Ų26.41%0.0115%0.147CC..  trans-84.5140.3173.6-61.3-174.4000110.9E162 L165 L167 V199 V219L160-E162 PolarHBondContact O-N 3.06Å; L160-L165 HydrophobicContact CB-CB 4.13Å; L160-L165 HydrophobicContact CD1-CB 3.82Å; L160-L165 HydrophobicContact CD1-CD1 4.17Å; L160-L165 HydrophobicContact CG-CB 4.21Å; L160-L165 PolarHBondContact N-O 3.46Å; L160-L167 HydrophobicContact CD1-CD1 4.37Å; L160-L167 HydrophobicContact CD2-CD1 3.96Å; L160-L167 HydrophobicContact CG-CD1 4.33Å; L160-V199 HydrophobicContact CD2-CB 4.5Å; L160-V199 HydrophobicContact CD2-CG1 3.98Å; L160-V199 HydrophobicContact CD2-CG2 3.85Å; L160-V219 HydrophobicContact CD1-CG1 3.73Å
161P74.9Confident91.1Very high60 Ų6027.1 Ų27.139%0.3915%0.154SC..THydrogen-bonded Turntrans-66-37.9-161.413.2-21.9000116.5K122 V199 D202K122-P161 WeakPolarHBondContact CE-O 3.38Å; P161-V199 HydrophobicContact CG-CG1 4.48Å; P161-D202 WeakPolarHBondContact CD-OD1 3.32Å; P161-D202 VanDerWaalsContact CG-OD1 3.31Å; P161-D202 WeakPolarHBondContact CG-OD1 3.44Å
162E65.6Low91.1Very high121 Ų12122.6 Ų22.657%0.56513%0.126SC*.THydrogen-bonded Turntrans-116.2-12.1-171.5-58.5-57.1152.400116K122 L160 D202K122-E162 IonicContact NZ-OE1 2.66Å; K122-E162 PolarHBondContact NZ-OE1 3.5Å; K122-E162 IonicContact NZ-OE2 3.96Å; K122-E162 PolarHBondContact NZ-OE2 3Å; L160-E162 PolarHBondContact O-N 3.06Å; E162-D202 WeakPolarHBondContact CB-OD1 3.46Å; E162-D202 WeakPolarHBondContact CG-OD2 3.3Å; E162-D202 PolarHBondContact N-OD1 3.43Å
163Q61.4Low91.1Very high78 Ų7825.8 Ų25.836%0.36413%0.134SC..THydrogen-bonded Turntrans-106.50.7-166.6-59.3-166.718.600116L165 D202Q163-L165 HydrophobicContact CB-CB 4.21Å; Q163-L165 HydrophobicContact CB-CD1 3.77Å; Q163-L165 HydrophobicContact CB-CG 3.71Å; Q163-L165 PolarHBondContact O-N 2.96Å; Q163-L165 VanDerWaalsContact O-N 3.15Å; Q163-L165 VanDerWaalsContact OE1-CD1 3.24Å; Q163-D202 HydrophobicContact CG-CB 4.29Å; Q163-D202 PolarHBondContact NE2-O 2.85Å
164G70.9Confident91.2Very high5 Ų526 Ų265%0.05213%0.134CC..SBendtrans62.218.2-171.800000113.5S768G164-S768 WeakPolarHBondContact CA-O 3.08Å
165L85.8Confident91.2Very high7 Ų726 Ų264%0.03713%0.134CC..EExtended strand (participates in β ladder)trans-92144.6-179.1-72.1-178.5000110.1L160 Q163 L177 K179L160-L165 HydrophobicContact CB-CB 4.13Å; L160-L165 HydrophobicContact CD1-CB 3.82Å; L160-L165 HydrophobicContact CD1-CD1 4.17Å; L160-L165 HydrophobicContact CG-CB 4.21Å; L160-L165 PolarHBondContact N-O 3.46Å; Q163-L165 HydrophobicContact CB-CB 4.21Å; Q163-L165 HydrophobicContact CB-CD1 3.77Å; Q163-L165 HydrophobicContact CB-CG 3.71Å; Q163-L165 PolarHBondContact O-N 2.96Å; Q163-L165 VanDerWaalsContact O-N 3.15Å; Q163-L165 VanDerWaalsContact OE1-CD1 3.24Å; L165-L177 HydrophobicContact CB-CD1 3.88Å; L165-L177 HydrophobicContact CD1-CD1 4.15Å; L165-L177 HydrophobicContact CD1-CD2 4.46Å; L165-L177 HydrophobicContact CD2-CD1 3.99Å; L165-L177 HydrophobicContact CD2-CD2 4.44Å; L165-L177 HydrophobicContact CD2-CG 4.29Å; L165-L177 HydrophobicContact CG-CD1 4.21Å; L165-K179 HydrophobicContact CD2-CB 3.9Å; L165-K179 HydrophobicContact CD2-CD 3.65Å; L165-K179 HydrophobicContact CD2-CG 3.76Å
166M94.4Very high91.2Very high4 Ų424.5 Ų24.52%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-133.4140.4-178.3-56.5171.5-155.700109L127 V137 M145 L147 V158 I159 L177 W178L127-M166 HydrophobicContact CD1-SD 4.18Å; L127-M166 HydrophobicContact CD2-CB 3.83Å; L127-M166 HydrophobicContact CD2-CG 4.22Å; V137-M166 HydrophobicContact CG1-CE 4.1Å; V137-M166 HydrophobicContact CG1-SD 4.4Å; V137-M166 HydrophobicContact CG2-CE 4.01Å; V137-M166 HydrophobicContact CG2-SD 3.42Å; V137-M166 WeakPolarHBondContact CG2-SD 3.36Å; M145-M166 HydrophobicContact CE-CE 4.07Å; L147-M166 HydrophobicContact CD1-SD 4.28Å; V158-M166 CarbonylContact O-C 3.6Å; V158-M166 WeakPolarHBondContact O-CA 3.12Å; I159-M166 HydrophobicContact CG1-CG 4.3Å; M166-L177 CarbonylContact O-C 3.52Å; M166-L177 WeakPolarHBondContact O-CA 3.49Å; M166-W178 HydrophobicContact CB-CB 4.24Å; M166-W178 PolarHBondContact N-O 2.95Å; M166-W178 PolarHBondContact O-N 2.87Å
167L98Very high91.1Very high0 Ų024.9 Ų24.90%013%0.13CC..EExtended strand (participates in β ladder)trans-114146.1176.9-70.2160.1000109.7V157 V158 L160 I175 K176 L177 F187 L197 F205V157-L167 CarbonylContact C-O 3.59Å; V157-L167 VanDerWaalsContact CA-O 3.26Å; V157-L167 WeakPolarHBondContact CA-O 3.44Å; V158-L167 HydrophobicContact CG1-CB 3.96Å; V158-L167 HydrophobicContact CG1-CD1 4.06Å; V158-L167 PolarHBondContact N-O 3.33Å; V158-L167 PolarHBondContact O-N 3.48Å; L160-L167 HydrophobicContact CD1-CD1 4.37Å; L160-L167 HydrophobicContact CD2-CD1 3.96Å; L160-L167 HydrophobicContact CG-CD1 4.33Å; L167-I175 HydrophobicContact CD2-CG2 4.1Å; L167-K176 CarbonylContact C-O 3.43Å; L167-K176 VanDerWaalsContact CA-O 3.31Å; L167-K176 WeakPolarHBondContact CA-O 3.38Å; L167-L177 HydrophobicContact CD2-CB 3.99Å; L167-L177 HydrophobicContact CD2-CD1 3.88Å; L167-L177 HydrophobicContact CG-CD1 4.21Å; L167-F187 HydrophobicContact CD2-CE2 4.19Å; L167-F187 HydrophobicContact CD2-CZ 4.43Å; L167-L197 HydrophobicContact CB-CD1 3.89Å; L167-F205 HydrophobicContact CD1-CB 3.95Å; L167-F205 HydrophobicContact CD1-CD1 3.44Å; L167-F205 VanDerWaalsContact CD1-CD1 3.44Å; L167-F205 HydrophobicContact CD1-CD2 3.93Å; L167-F205 HydrophobicContact CD1-CE1 3.82Å; L167-F205 HydrophobicContact CD1-CE2 4.26Å; L167-F205 HydrophobicContact CD1-CG 3.5Å; L167-F205 VanDerWaalsContact CD1-CG 3.5Å; L167-F205 HydrophobicContact CD1-CZ 4.2Å; L167-F205 HydrophobicContact CD2-CD1 4.38Å; L167-F205 HydrophobicContact CD2-CE1 3.87Å; L167-F205 HydrophobicContact CD2-CE2 4.44Å; L167-F205 HydrophobicContact CD2-CZ 3.9Å
168S98.7Very high90.8Very high1 Ų124.8 Ų24.81%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-136.9137167.566.80000112.1H150 A156 I175 K176 W178H150-S168 PolarHBondContact CD2-OG 2.92Å; H150-S168 VanDerWaalsContact CD2-OG 3.23Å; H150-S168 PolarHBondContact NE2-O 2.8Å; H150-S168 PolarHBondContact NE2-OG 2.78Å; A156-S168 CarbonylContact O-C 3.42Å; A156-S168 WeakPolarHBondContact O-CA 3.25Å; S168-I175 CarbonylContact O-C 3.57Å; S168-I175 WeakPolarHBondContact O-CA 3.07Å; S168-I175 WeakPolarHBondContact O-CG2 3.47Å; S168-K176 PolarHBondContact N-O 2.84Å; S168-K176 PolarHBondContact O-N 2.84Å; S168-W178 PolarHBondContact OG-NE1 2.67Å
169G98.8Very high90Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-109.7141.3173.200000110.6W155 A156W155-G169 PolarHBondContact N-O 2.97Å; A156-G169 PolarHBondContact N-O 2.76Å; A156-G169 VanDerWaalsContact N-O 3.13Å; A156-G169 PolarHBondContact O-N 2.9Å
170S98.8Very high88.8Confident0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-131.9162.2-170.9174.80000113.9H150 A152 A153 D172 K173 T174 V194H150-S170 WeakPolarHBondContact CE1-CB 3.34Å; H150-S170 WeakPolarHBondContact ND1-CB 3.46Å; A152-S170 PolarHBondContact O-OG 3.42Å; A153-S170 CarbonylContact O-C 3.47Å; A153-S170 VanDerWaalsContact O-CA 3.28Å; A153-S170 WeakPolarHBondContact O-CA 3.47Å; A153-S170 WeakPolarHBondContact O-CB 3.27Å; A153-S170 PolarHBondContact O-OG 2.94Å; S170-D172 WeakPolarHBondContact CB-OD1 3.33Å; S170-D172 PolarHBondContact O-N 3.04Å; S170-D172 PolarHBondContact OG-N 2.89Å; S170-K173 PolarHBondContact O-N 2.67Å; S170-K173 VanDerWaalsContact O-N 3.16Å; S170-T174 PolarHBondContact N-O 2.81Å; S170-T174 VanDerWaalsContact N-O 3.12Å; S170-V194 PolarHBondContact O-N 2.62Å
171A98.3Very high88.1Confident24 Ų2426.2 Ų26.220%0.19814%0.139CC..THydrogen-bonded Turntrans-61.9-13.7164.700000113.4A152 A153 K173 C193A152-A171 HydrophobicContact CB-CB 3.77Å; A153-A171 HydrophobicContact CB-CB 4.4Å; A153-A171 PolarHBondContact O-N 2.92Å; A171-K173 PolarHBondContact O-N 2.87Å; A171-C193 HydrophobicContact CB-CB 4.4Å
172D98.3Very high88.1Confident28 Ų2826.5 Ų26.515%0.1514%0.135CC..THydrogen-bonded Turntrans-75.78.1170.772.919.3000113.8H150 T151 A152 S170 T174H150-D172 WeakPolarHBondContact CA-OD2 3.43Å; H150-D172 WeakPolarHBondContact CB-OD2 3.27Å; H150-D172 IonicContact CE1-OD1 3.31Å; H150-D172 IonicContact CE1-OD2 3.81Å; H150-D172 IonicContact CG-OD2 3.47Å; H150-D172 VanDerWaalsContact ND1-CG 3.32Å; H150-D172 IonicContact ND1-OD1 3.54Å; H150-D172 PolarHBondContact ND1-OD1 2.97Å; H150-D172 IonicContact ND1-OD2 3.41Å; H150-D172 PolarHBondContact ND1-OD2 2.91Å; T151-D172 PolarHBondContact N-OD2 3.06Å; T151-D172 WeakPolarHBondContact OG1-CB 3.27Å; A152-D172 HydrophobicContact CB-CB 4.13Å; S170-D172 WeakPolarHBondContact CB-OD1 3.33Å; S170-D172 PolarHBondContact O-N 3.04Å; S170-D172 PolarHBondContact OG-N 2.89Å; D172-T174 PolarHBondContact O-N 3.06Å; D172-T174 WeakPolarHBondContact OD1-CB 3.45Å; D172-T174 PolarHBondContact OD1-N 2.87Å; D172-T174 PolarHBondContact OD1-OG1 2.86Å
173K98.3Very high89.2Confident94 Ų9423 Ų2341%0.40912%0.123SC..SBendtrans70.73.2176.6-41.6179170.6-156.10113.9S170 A171 E191S170-K173 PolarHBondContact O-N 2.67Å; S170-K173 VanDerWaalsContact O-N 3.16Å; A171-K173 PolarHBondContact O-N 2.87Å; K173-E191 VanDerWaalsContact CD-O 3.3Å; K173-E191 WeakPolarHBondContact CD-O 3.16Å; K173-E191 WeakPolarHBondContact CE-O 3.45Å; K173-E191 PolarHBondContact NZ-O 3.17Å
174T98.7Very high90.4Very high23 Ų2324.5 Ų24.514%0.14113%0.13CC..  trans-105.1160.6178.3760000112.6H150 S170 D172 T186 F187 T188H150-T174 PolarHBondContact CE1-OG1 2.82Å; H150-T174 PolarHBondContact ND1-OG1 2.73Å; S170-T174 PolarHBondContact N-O 2.81Å; S170-T174 VanDerWaalsContact N-O 3.12Å; D172-T174 PolarHBondContact O-N 3.06Å; D172-T174 WeakPolarHBondContact OD1-CB 3.45Å; D172-T174 PolarHBondContact OD1-N 2.87Å; D172-T174 PolarHBondContact OD1-OG1 2.86Å; T174-T186 HydrophobicContact CG2-CG2 3.81Å; T174-F187 WeakPolarHBondContact CA-O 3.34Å; T174-T188 HydrophobicContact CG2-CG2 4.35Å
175I98.9Very high91.5Very high2 Ų228 Ų281%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-112.4144.9163.5-55.5165.5000106.9L167 S168 T186 F187 V194 L197 F205 S207L167-I175 HydrophobicContact CD2-CG2 4.1Å; S168-I175 CarbonylContact O-C 3.57Å; S168-I175 WeakPolarHBondContact O-CA 3.07Å; S168-I175 WeakPolarHBondContact O-CG2 3.47Å; I175-T186 CarbonylContact O-C 3.59Å; I175-T186 WeakPolarHBondContact O-CA 3.44Å; I175-F187 HydrophobicContact CB-CB 4.12Å; I175-F187 HydrophobicContact CB-CD2 4.2Å; I175-F187 HydrophobicContact CB-CG 4.4Å; I175-F187 HydrophobicContact CG2-CD2 4.24Å; I175-F187 PolarHBondContact N-O 3.31Å; I175-F187 VanDerWaalsContact N-O 3.16Å; I175-F187 WeakPolarHBondContact O-CD2 3.44Å; I175-F187 PolarHBondContact O-N 3.08Å; I175-V194 HydrophobicContact CD1-CG1 4.11Å; I175-V194 HydrophobicContact CG1-CB 4.39Å; I175-V194 HydrophobicContact CG1-CG1 3.94Å; I175-V194 HydrophobicContact CG1-CG2 4.02Å; I175-L197 HydrophobicContact CD1-CD2 4Å; I175-L197 HydrophobicContact CG1-CD2 4.41Å; I175-L197 HydrophobicContact CG2-CD2 4.17Å; I175-F205 HydrophobicContact CD1-CE2 4Å; I175-F205 HydrophobicContact CG2-CE2 4.15Å; I175-F205 HydrophobicContact CG2-CZ 4.32Å; I175-S207 VanDerWaalsContact CD1-CB 3.41Å; I175-S207 WeakPolarHBondContact CD1-OG 3.35Å
176K98.5Very high92.1Very high23 Ų2330.5 Ų30.510%0.116%0.16CC..EExtended strand (participates in β ladder)trans-122.8131.7175.3-70.9177.3-171.3-76.90110.3G149 H150 L167 S168 W178 K185 T186G149-K176 WeakPolarHBondContact O-CE 3.33Å; G149-K176 PolarHBondContact O-NZ 3.44Å; H150-K176 WeakPolarHBondContact ND1-CE 3.25Å; L167-K176 CarbonylContact C-O 3.43Å; L167-K176 VanDerWaalsContact CA-O 3.31Å; L167-K176 WeakPolarHBondContact CA-O 3.38Å; S168-K176 PolarHBondContact N-O 2.84Å; S168-K176 PolarHBondContact O-N 2.84Å; K176-W178 HydrophobicContact CB-CZ2 3.82Å; K176-W178 HydrophobicContact CD-CH2 4.09Å; K176-W178 HydrophobicContact CD-CZ2 3.61Å; K176-W178 HydrophobicContact CG-CZ2 4.34Å; K176-W178 PolarHBondContact O-NE1 2.72Å; K176-K185 WeakPolarHBondContact CA-O 3.44Å; K176-T186 HydrophobicContact CG-CG2 4.33Å; K176-T186 PolarHBondContact NZ-OG1 2.85Å
177L96.6Very high92.3Very high10 Ų1030.6 Ų30.65%0.05216%0.16CC..EExtended strand (participates in β ladder)trans-89.8126.4165.2176.465.9000108.1L165 M166 L167 C183 E184 K185 F187L165-L177 HydrophobicContact CB-CD1 3.88Å; L165-L177 HydrophobicContact CD1-CD1 4.15Å; L165-L177 HydrophobicContact CD1-CD2 4.46Å; L165-L177 HydrophobicContact CD2-CD1 3.99Å; L165-L177 HydrophobicContact CD2-CD2 4.44Å; L165-L177 HydrophobicContact CD2-CG 4.29Å; L165-L177 HydrophobicContact CG-CD1 4.21Å; M166-L177 CarbonylContact O-C 3.52Å; M166-L177 WeakPolarHBondContact O-CA 3.49Å; L167-L177 HydrophobicContact CD2-CB 3.99Å; L167-L177 HydrophobicContact CD2-CD1 3.88Å; L167-L177 HydrophobicContact CG-CD1 4.21Å; L177-C183 CarbonylContact O-C 3.52Å; L177-C183 WeakPolarHBondContact O-CA 3.37Å; L177-E184 HydrophobicContact CD2-CB 4.46Å; L177-E184 HydrophobicContact CG-CB 4.47Å; L177-E184 PolarHBondContact O-N 3.23Å; L177-K185 HydrophobicContact CB-CB 4.15Å; L177-K185 PolarHBondContact N-O 3.01Å; L177-F187 HydrophobicContact CB-CE2 3.69Å; L177-F187 HydrophobicContact CB-CZ 4.19Å
178W92.6Very high92.2Very high4 Ų435.6 Ų35.62%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-115.1151.7180-51.587.4000111.6L147 Q148 M166 S168 K176 H182 C183L147-W178 HydrophobicContact CB-CD2 3.86Å; L147-W178 HydrophobicContact CB-CE3 3.81Å; L147-W178 HydrophobicContact CB-CG 4.44Å; L147-W178 HydrophobicContact CB-CH2 4.25Å; L147-W178 HydrophobicContact CB-CZ2 4.26Å; L147-W178 HydrophobicContact CB-CZ3 4.02Å; L147-W178 HydrophobicContact CD1-CB 4.01Å; L147-W178 HydrophobicContact CD1-CD2 4.11Å; L147-W178 HydrophobicContact CD1-CG 3.79Å; L147-W178 HydrophobicContact CD2-CB 4.34Å; L147-W178 HydrophobicContact CD2-CD2 4.38Å; L147-W178 HydrophobicContact CD2-CE3 4.15Å; L147-W178 HydrophobicContact CD2-CG 4.48Å; L147-W178 HydrophobicContact CG-CD2 4.33Å; L147-W178 HydrophobicContact CG-CE3 4.41Å; L147-W178 HydrophobicContact CG-CG 4.46Å; Q148-W178 WeakPolarHBondContact O-CH2 3.48Å; M166-W178 HydrophobicContact CB-CB 4.24Å; M166-W178 PolarHBondContact N-O 2.95Å; M166-W178 PolarHBondContact O-N 2.87Å; S168-W178 PolarHBondContact OG-NE1 2.67Å; K176-W178 HydrophobicContact CB-CZ2 3.82Å; K176-W178 HydrophobicContact CD-CH2 4.09Å; K176-W178 HydrophobicContact CD-CZ2 3.61Å; K176-W178 HydrophobicContact CG-CZ2 4.34Å; K176-W178 PolarHBondContact O-NE1 2.72Å; W178-H182 CarbonylContact C-O 3.5Å; W178-H182 WeakPolarHBondContact CA-O 3.26Å; W178-C183 HydrophobicContact CD2-CB 4.43Å; W178-C183 HydrophobicContact CE3-CB 3.92Å; W178-C183 HydrophobicContact CH2-CB 4.1Å; W178-C183 HydrophobicContact CZ3-CB 3.74Å
179K79.6Confident92Very high46 Ų4637 Ų3720%0.221%0.206CC..EExtended strand (participates in β ladder)trans-160125.4-175.8-168.6175.9-174.7171.70108.6L165 G181 H182 E184 S773L165-K179 HydrophobicContact CD2-CB 3.9Å; L165-K179 HydrophobicContact CD2-CD 3.65Å; L165-K179 HydrophobicContact CD2-CG 3.76Å; K179-G181 PolarHBondContact O-N 2.83Å; K179-H182 PolarHBondContact N-O 3.33Å; K179-H182 PolarHBondContact O-N 3.27Å; K179-E184 HydrophobicContact CB-CG 3.53Å; K179-E184 VanDerWaalsContact CD-CD 3.43Å; K179-E184 HydrophobicContact CD-CG 3.51Å; K179-E184 WeakPolarHBondContact CD-OE2 3.48Å; K179-E184 HydrophobicContact CG-CG 4.26Å; K179-E184 IonicContact NZ-OE2 2.78Å; K179-E184 PolarHBondContact NZ-OE2 3.48Å; K179-S773 WeakPolarHBondContact CE-OG 3.44Å
180A68.2Low91.8Very high5 Ų537.7 Ų37.74%0.04121%0.209CC..THydrogen-bonded Turntrans5222.9-178.600000115.8M145 H182 L769M145-A180 VanDerWaalsContact SD-C 3.57Å; A180-H182 PolarHBondContact O-CD2 2.58Å; A180-H182 VanDerWaalsContact O-CD2 3.3Å; A180-L769 WeakPolarHBondContact CA-O 3.39Å; A180-L769 VanDerWaalsContact CB-O 3.24Å; A180-L769 WeakPolarHBondContact CB-O 3.45Å; A180-L769 PolarHBondContact N-O 2.84Å
181G74.4Confident91.7Very high16 Ų1644.6 Ų44.617%0.16524%0.241CC..THydrogen-bonded Turntrans104.8-16.3-174.900000115.2K179K179-G181 PolarHBondContact O-N 2.83Å
182H74.6Confident91.6Very high65 Ų6545.4 Ų45.430%0.30124%0.242SC..EExtended strand (participates in β ladder)trans-109.6143.4-165-63.3-83.5000112.7W178 K179 A180 E184 E737W178-H182 CarbonylContact C-O 3.5Å; W178-H182 WeakPolarHBondContact CA-O 3.26Å; K179-H182 PolarHBondContact N-O 3.33Å; K179-H182 PolarHBondContact O-N 3.27Å; A180-H182 PolarHBondContact O-CD2 2.58Å; A180-H182 VanDerWaalsContact O-CD2 3.3Å; H182-E184 PolarHBondContact O-N 2.76Å; H182-E737 VanDerWaalsContact CD2-CD 3.42Å; H182-E737 IonicContact CD2-OE1 3.93Å; H182-E737 IonicContact CD2-OE2 2.68Å; H182-E737 VanDerWaalsContact CE1-CG 3.49Å; H182-E737 WeakPolarHBondContact CE1-CG 3.4Å; H182-E737 IonicContact CE1-OE2 3.98Å; H182-E737 PolarHBondContact CE1-OE2 3.45Å; H182-E737 IonicContact CG-OE1 2.82Å; H182-E737 IonicContact CG-OE2 3.66Å; H182-E737 IonicContact ND1-OE2 3.71Å; H182-E737 PolarHBondContact ND1-OE2 2.95Å; H182-E737 VanDerWaalsContact NE2-CG 3.3Å; H182-E737 WeakPolarHBondContact NE2-CG 3.44Å; H182-E737 IonicContact NE2-OE1 3.53Å; H182-E737 IonicContact NE2-OE2 3.9Å
183C90.1Very high91.5Very high49 Ų4945.1 Ų45.133%0.33124%0.242SC..EExtended strand (participates in β ladder)trans-79.996.2175.2-178.20000110.1L177 W178 K185L177-C183 CarbonylContact O-C 3.52Å; L177-C183 WeakPolarHBondContact O-CA 3.37Å; W178-C183 HydrophobicContact CD2-CB 4.43Å; W178-C183 HydrophobicContact CE3-CB 3.92Å; W178-C183 HydrophobicContact CH2-CB 4.1Å; W178-C183 HydrophobicContact CZ3-CB 3.74Å; C183-K185 VanDerWaalsContact C-N 3.29Å; C183-K185 PolarHBondContact O-N 3.49Å; C183-K185 PolarHBondContact SG-O 3.31Å; C183-K185 VanDerWaalsContact SG-O 3.37Å
184E86.8Confident91.5Very high109 Ų10940.7 Ų40.751%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-66.3-32.4175.9-69-8497.100112.2L177 K179 H182L177-E184 HydrophobicContact CD2-CB 4.46Å; L177-E184 HydrophobicContact CG-CB 4.47Å; L177-E184 PolarHBondContact O-N 3.23Å; K179-E184 HydrophobicContact CB-CG 3.53Å; K179-E184 VanDerWaalsContact CD-CD 3.43Å; K179-E184 HydrophobicContact CD-CG 3.51Å; K179-E184 WeakPolarHBondContact CD-OE2 3.48Å; K179-E184 HydrophobicContact CG-CG 4.26Å; K179-E184 IonicContact NZ-OE2 2.78Å; K179-E184 PolarHBondContact NZ-OE2 3.48Å; H182-E184 PolarHBondContact O-N 2.76Å
185K93Very high91.5Very high77 Ų7741.2 Ų41.234%0.33522%0.222SC..EExtended strand (participates in β ladder)trans-154.9138.7-173.2-164.7171.7-70.3-83.10111.2K176 L177 C183 F187 T220K176-K185 WeakPolarHBondContact CA-O 3.44Å; L177-K185 HydrophobicContact CB-CB 4.15Å; L177-K185 PolarHBondContact N-O 3.01Å; C183-K185 VanDerWaalsContact C-N 3.29Å; C183-K185 PolarHBondContact O-N 3.49Å; C183-K185 PolarHBondContact SG-O 3.31Å; C183-K185 VanDerWaalsContact SG-O 3.37Å; K185-F187 HydrophobicContact CB-CE2 4.04Å; K185-F187 HydrophobicContact CB-CZ 4.47Å; K185-F187 HydrophobicContact CD-CE1 4.12Å; K185-F187 HydrophobicContact CD-CE2 4.07Å; K185-F187 HydrophobicContact CD-CZ 3.77Å; K185-F187 HydrophobicContact CG-CD2 4.37Å; K185-F187 HydrophobicContact CG-CE2 4.02Å; K185-F187 HydrophobicContact CG-CZ 4.24Å; K185-T220 WeakPolarHBondContact CD-O 3.25Å; K185-T220 WeakPolarHBondContact CE-O 3.27Å; K185-T220 PolarHBondContact NZ-O 3.23Å
186T97.9Very high91.4Very high60 Ų6041.4 Ų41.437%0.36823%0.225SC..EExtended strand (participates in β ladder)trans-109.3128.1164.6-59.60000108T174 I175 K176T174-T186 HydrophobicContact CG2-CG2 3.81Å; I175-T186 CarbonylContact O-C 3.59Å; I175-T186 WeakPolarHBondContact O-CA 3.44Å; K176-T186 HydrophobicContact CG-CG2 4.33Å; K176-T186 PolarHBondContact NZ-OG1 2.85Å
187F98.4Very high91.4Very high6 Ų641.3 Ų41.33%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-98.4127.7176.9-52.4-116.9000107.3L167 T174 I175 L177 K185 F205 W217 L218L167-F187 HydrophobicContact CD2-CE2 4.19Å; L167-F187 HydrophobicContact CD2-CZ 4.43Å; T174-F187 WeakPolarHBondContact CA-O 3.34Å; I175-F187 HydrophobicContact CB-CB 4.12Å; I175-F187 HydrophobicContact CB-CD2 4.2Å; I175-F187 HydrophobicContact CB-CG 4.4Å; I175-F187 HydrophobicContact CG2-CD2 4.24Å; I175-F187 PolarHBondContact N-O 3.31Å; I175-F187 VanDerWaalsContact N-O 3.16Å; I175-F187 WeakPolarHBondContact O-CD2 3.44Å; I175-F187 PolarHBondContact O-N 3.08Å; L177-F187 HydrophobicContact CB-CE2 3.69Å; L177-F187 HydrophobicContact CB-CZ 4.19Å; K185-F187 HydrophobicContact CB-CE2 4.04Å; K185-F187 HydrophobicContact CB-CZ 4.47Å; K185-F187 HydrophobicContact CD-CE1 4.12Å; K185-F187 HydrophobicContact CD-CE2 4.07Å; K185-F187 HydrophobicContact CD-CZ 3.77Å; K185-F187 HydrophobicContact CG-CD2 4.37Å; K185-F187 HydrophobicContact CG-CE2 4.02Å; K185-F187 HydrophobicContact CG-CZ 4.24Å; F187-F205 AromaticContact CD1-CZ 3.97Å; F187-F205 HydrophobicContact CD1-CZ 3.97Å; F187-F205 AromaticContact CE1-CE1 3.83Å; F187-F205 HydrophobicContact CE1-CE1 3.83Å; F187-F205 AromaticContact CE1-CZ 3.71Å; F187-F205 HydrophobicContact CE1-CZ 3.71Å; F187-F205 HydrophobicContact CE2-CZ 4.4Å; F187-F205 HydrophobicContact CG-CZ 4.42Å; F187-F205 AromaticContact CZ-CE1 3.97Å; F187-F205 HydrophobicContact CZ-CE1 3.97Å; F187-F205 AromaticContact CZ-CZ 3.97Å; F187-F205 HydrophobicContact CZ-CZ 3.97Å; F187-W217 HydrophobicContact CB-CE3 4.4Å; F187-W217 HydrophobicContact CB-CH2 4.37Å; F187-W217 HydrophobicContact CB-CZ3 4.17Å; F187-W217 HydrophobicContact CD1-CD2 4.22Å; F187-W217 AromaticContact CD1-CE3 3.79Å; F187-W217 HydrophobicContact CD1-CE3 3.79Å; F187-W217 HydrophobicContact CD1-CZ3 4.29Å; F187-L218 WeakPolarHBondContact CE1-O 3.25Å
188T97.3Very high91.4Very high106 Ų10641.3 Ų41.365%0.6523%0.227SC*.  trans-118.8143178.253.20000109T174T174-T188 HydrophobicContact CG2-CG2 4.35Å
189G93.2Very high91.5Very high31 Ų3143.1 Ų43.132%0.3224%0.238SC..  trans156.8-31.1176.700000112.8R215G189-R215 PolarHBondContact O-NH1 3.5Å; G189-R215 PolarHBondContact O-NH2 3.22Å
190H96.4Very high92.1Very high13 Ų1342 Ų426%0.0624%0.235CC..  trans-66.3140.5166.3-82.7-60000110.8V194 S207 S209 D211 S213H190-V194 HydrophobicContact CB-CG2 4Å; H190-S207 PolarHBondContact CD2-OG 3.44Å; H190-S207 PolarHBondContact NE2-OG 2.99Å; H190-S209 VanDerWaalsContact CE1-CB 3.48Å; H190-S209 WeakPolarHBondContact CE1-CB 3.28Å; H190-S209 WeakPolarHBondContact ND1-CB 3.47Å; H190-D211 WeakPolarHBondContact CA-OD2 3.39Å; H190-D211 WeakPolarHBondContact CB-OD2 3.27Å; H190-D211 IonicContact CE1-OD1 2.71Å; H190-D211 IonicContact CE1-OD2 3.13Å; H190-D211 IonicContact CG-OD2 2.88Å; H190-D211 IonicContact ND1-OD1 3.11Å; H190-D211 PolarHBondContact ND1-OD1 3.22Å; H190-D211 IonicContact ND1-OD2 3.07Å; H190-D211 PolarHBondContact ND1-OD2 3.12Å; H190-S213 PolarHBondContact CE1-O 3.03Å; H190-S213 PolarHBondContact CE1-OG 2.73Å; H190-S213 VanDerWaalsContact CE1-OG 3.27Å; H190-S213 PolarHBondContact ND1-OG 2.95Å
191E94.7Very high93.2Very high145 Ų14544 Ų4468%0.67825%0.249SC*.SBendtrans-99.8-7-175.2-63.6-175.3-175.100112.6K173 D211K173-E191 VanDerWaalsContact CD-O 3.3Å; K173-E191 WeakPolarHBondContact CD-O 3.16Å; K173-E191 WeakPolarHBondContact CE-O 3.45Å; K173-E191 PolarHBondContact NZ-O 3.17Å; E191-D211 HydrophobicContact CB-CB 4.12Å; E191-D211 PolarHBondContact N-OD2 2.72Å
192D96.5Very high93.7Very high42 Ų4245.4 Ų45.423%0.22525%0.253CS..SBendtrans-148.4179.6172.1-159.76.2000111.4V194 S209 N210 D211D192-V194 PolarHBondContact O-N 3.07Å; D192-S209 PolarHBondContact O-OG 3.36Å; D192-N210 HydrophobicContact CB-CB 3.82Å; D192-N210 WeakPolarHBondContact OD2-CB 3.4Å; D192-D211 HydrophobicContact CB-CB 4.11Å
193C97.3Very high94.3Very high22 Ų2246.8 Ų46.815%0.14926%0.262CS..  trans-43.8123.1-174.4-58.80000113.5A171 S209 N210A171-C193 HydrophobicContact CB-CB 4.4Å; C193-S209 CarbonylContact O-C 3.51Å; C193-S209 VanDerWaalsContact O-CA 3.23Å; C193-S209 WeakPolarHBondContact O-CA 3.32Å; C193-S209 WeakPolarHBondContact O-CB 3.36Å; C193-S209 PolarHBondContact O-OG 3.07Å; C193-N210 HydrophobicContact CB-CB 4.3Å; C193-N210 PolarHBondContact O-N 3.11Å
194V98.8Very high94.5Very high0 Ų046.5 Ų46.50%026%0.256CS..EExtended strand (participates in β ladder)trans-79.6124.5174-172.60000109W155 S170 I175 H190 D192 C208W155-V194 WeakPolarHBondContact CB-O 3.22Å; S170-V194 PolarHBondContact O-N 2.62Å; I175-V194 HydrophobicContact CD1-CG1 4.11Å; I175-V194 HydrophobicContact CG1-CB 4.39Å; I175-V194 HydrophobicContact CG1-CG1 3.94Å; I175-V194 HydrophobicContact CG1-CG2 4.02Å; H190-V194 HydrophobicContact CB-CG2 4Å; D192-V194 PolarHBondContact O-N 3.07Å; V194-C208 WeakPolarHBondContact CG1-O 3.41Å
195R97.9Very high95Very high34 Ų3441.3 Ų41.313%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-113.5-25.6-166.7-72.3-59.3-56.2-78.2-13.3114.9C208 N210 I234 Y235R195-C208 PolarHBondContact N-O 3.25Å; R195-N210 VanDerWaalsContact CG-OD1 3.29Å; R195-N210 WeakPolarHBondContact CG-OD1 3.5Å; R195-I234 WeakPolarHBondContact CB-O 3.37Å; R195-Y235 VanDerWaalsContact CZ-CD1 3.43Å; R195-Y235 VanDerWaalsContact NH2-CD1 3.26Å
196G97.6Very high95.3Very high7 Ų737.6 Ų37.67%0.07222%0.215CC..EExtended strand (participates in β ladder)trans-142151.2178.800000111.9S207 C208G196-S207 VanDerWaalsContact O-CA 3.28Å; G196-S207 WeakPolarHBondContact O-CA 3.29Å; G196-C208 PolarHBondContact N-O 3.43Å; G196-C208 PolarHBondContact N-SG 3.47Å; G196-C208 VanDerWaalsContact N-SG 3.44Å; G196-C208 PolarHBondContact O-N 3.32Å
197L98.4Very high95.3Very high20 Ų2034.8 Ų34.811%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-135.4142.1171.9-70.5172.1000108.2A156 V158 L167 I175 F205 F206A156-L197 HydrophobicContact CB-CB 4.14Å; A156-L197 HydrophobicContact CB-CD1 3.94Å; A156-L197 HydrophobicContact CB-CG 3.71Å; V158-L197 HydrophobicContact CB-CB 4.39Å; V158-L197 HydrophobicContact CG1-CB 3.97Å; V158-L197 HydrophobicContact CG1-CD1 4.4Å; L167-L197 HydrophobicContact CB-CD1 3.89Å; I175-L197 HydrophobicContact CD1-CD2 4Å; I175-L197 HydrophobicContact CG1-CD2 4.41Å; I175-L197 HydrophobicContact CG2-CD2 4.17Å; L197-F205 HydrophobicContact CD2-CD2 3.95Å; L197-F205 HydrophobicContact CD2-CE2 4.07Å; L197-F206 WeakPolarHBondContact CA-O 3.41Å
198A96.6Very high95.3Very high10 Ų1034.5 Ų34.58%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-142.9136.6173.500000111.1F205 F206 L237 V239A198-F205 CarbonylContact O-C 3.58Å; A198-F205 VanDerWaalsContact O-CA 3.29Å; A198-F205 WeakPolarHBondContact O-CA 3.29Å; A198-F205 WeakPolarHBondContact O-CB 3.26Å; A198-F206 PolarHBondContact N-O 2.98Å; A198-F206 PolarHBondContact O-N 2.76Å; A198-L237 HydrophobicContact CB-CB 3.98Å; A198-V239 HydrophobicContact CB-CG2 3.65Å
199V93.8Very high95.3Very high42 Ų4229.4 Ų29.426%0.25517%0.166SC..EExtended strand (participates in β ladder)trans-75.1137.1178.9-172.70000110.1V158 L160 P161 S201V158-V199 HydrophobicContact CB-CG2 4.43Å; V158-V199 HydrophobicContact CG1-CG2 4.11Å; V158-V199 HydrophobicContact CG2-CG2 3.45Å; V158-V199 VanDerWaalsContact CG2-CG2 3.45Å; L160-V199 HydrophobicContact CD2-CB 4.5Å; L160-V199 HydrophobicContact CD2-CG1 3.98Å; L160-V199 HydrophobicContact CD2-CG2 3.85Å; P161-V199 HydrophobicContact CG-CG1 4.48Å; V199-S201 WeakPolarHBondContact CG1-O 3.45Å
200V93.1Very high95.5Very high22 Ų2229 Ų2913%0.13316%0.156CC..EExtended strand (participates in β ladder)trans-106.8-43.6171.1-177.60000109.5E204 F206 G243V200-E204 HydrophobicContact CB-CB 3.83Å; V200-E204 WeakPolarHBondContact CB-O 3.05Å; V200-E204 HydrophobicContact CG1-CB 4.16Å; V200-E204 PolarHBondContact N-O 3.47Å; V200-F206 HydrophobicContact CG2-CD2 3.29Å; V200-F206 HydrophobicContact CG2-CE2 3.3Å; V200-F206 HydrophobicContact CG2-CG 3.99Å; V200-F206 HydrophobicContact CG2-CZ 3.99Å; V200-G243 WeakPolarHBondContact CG1-O 3.19Å
201S89.9Confident95.3Very high49 Ų4929.6 Ų29.634%0.34316%0.16SC..EExtended strand (participates in β ladder)trans-158.1-177.1171.568.10000110.1V199 L203 E204V199-S201 WeakPolarHBondContact CG1-O 3.45Å; S201-L203 PolarHBondContact O-N 2.88Å; S201-L203 VanDerWaalsContact O-N 3.09Å; S201-L203 PolarHBondContact OG-N 3.08Å; S201-E204 PolarHBondContact N-O 3.35Å; S201-E204 PolarHBondContact O-N 2.84Å; S201-E204 PolarHBondContact OG-N 2.8Å
202D84.8Confident95.2Very high44 Ų4424.7 Ų24.724%0.23514%0.14CC..THydrogen-bonded Turntrans-58.8-17.5170.5-68.5-59.5000114.7P161 E162 Q163P161-D202 WeakPolarHBondContact CD-OD1 3.32Å; P161-D202 VanDerWaalsContact CG-OD1 3.31Å; P161-D202 WeakPolarHBondContact CG-OD1 3.44Å; E162-D202 WeakPolarHBondContact CB-OD1 3.46Å; E162-D202 WeakPolarHBondContact CG-OD2 3.3Å; E162-D202 PolarHBondContact N-OD1 3.43Å; Q163-D202 HydrophobicContact CG-CB 4.29Å; Q163-D202 PolarHBondContact NE2-O 2.85Å
203L89Confident95.1Very high94 Ų9422.7 Ų22.749%0.49213%0.129SC..THydrogen-bonded Turntrans-112.6-9.6-177.3-60.3179.2000113.5S201 L218 V219S201-L203 PolarHBondContact O-N 2.88Å; S201-L203 VanDerWaalsContact O-N 3.09Å; S201-L203 PolarHBondContact OG-N 3.08Å; L203-L218 CarbonylContact O-C 3.54Å; L203-L218 WeakPolarHBondContact O-CA 3.29Å; L203-V219 HydrophobicContact CB-CG2 4.47Å; L203-V219 HydrophobicContact CD2-CG2 4.02Å; L203-V219 PolarHBondContact O-N 2.92Å
204E94.1Very high95.2Very high43 Ų4321.7 Ų21.720%0.20112%0.122CC..EExtended strand (participates in β ladder)trans-139143.7-171.3-72.1-176-15200113.4V200 S201 R216 W217 L218V200-E204 HydrophobicContact CB-CB 3.83Å; V200-E204 WeakPolarHBondContact CB-O 3.05Å; V200-E204 HydrophobicContact CG1-CB 4.16Å; V200-E204 PolarHBondContact N-O 3.47Å; S201-E204 PolarHBondContact N-O 3.35Å; S201-E204 PolarHBondContact O-N 2.84Å; S201-E204 PolarHBondContact OG-N 2.8Å; E204-R216 IonicContact OE1-NH2 3.65Å; E204-R216 IonicContact OE2-CZ 3.93Å; E204-R216 IonicContact OE2-NE 4Å; E204-R216 PolarHBondContact OE2-NE 3.27Å; E204-R216 IonicContact OE2-NH2 3.99Å; E204-R216 PolarHBondContact OE2-NH2 2.88Å; E204-W217 VanDerWaalsContact CA-O 3.27Å; E204-W217 WeakPolarHBondContact CA-O 3.41Å; E204-L218 HydrophobicContact CG-CD2 3.58Å; E204-L218 HydrophobicContact CG-CG 4.45Å
205F96.9Very high95.1Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-146.7155.6175.465.4-85.9000111.7L167 I175 F187 L197 A198 W217 V219L167-F205 HydrophobicContact CD1-CB 3.95Å; L167-F205 HydrophobicContact CD1-CD1 3.44Å; L167-F205 VanDerWaalsContact CD1-CD1 3.44Å; L167-F205 HydrophobicContact CD1-CD2 3.93Å; L167-F205 HydrophobicContact CD1-CE1 3.82Å; L167-F205 HydrophobicContact CD1-CE2 4.26Å; L167-F205 HydrophobicContact CD1-CG 3.5Å; L167-F205 VanDerWaalsContact CD1-CG 3.5Å; L167-F205 HydrophobicContact CD1-CZ 4.2Å; L167-F205 HydrophobicContact CD2-CD1 4.38Å; L167-F205 HydrophobicContact CD2-CE1 3.87Å; L167-F205 HydrophobicContact CD2-CE2 4.44Å; L167-F205 HydrophobicContact CD2-CZ 3.9Å; I175-F205 HydrophobicContact CD1-CE2 4Å; I175-F205 HydrophobicContact CG2-CE2 4.15Å; I175-F205 HydrophobicContact CG2-CZ 4.32Å; F187-F205 AromaticContact CD1-CZ 3.97Å; F187-F205 HydrophobicContact CD1-CZ 3.97Å; F187-F205 AromaticContact CE1-CE1 3.83Å; F187-F205 HydrophobicContact CE1-CE1 3.83Å; F187-F205 AromaticContact CE1-CZ 3.71Å; F187-F205 HydrophobicContact CE1-CZ 3.71Å; F187-F205 HydrophobicContact CE2-CZ 4.4Å; F187-F205 HydrophobicContact CG-CZ 4.42Å; F187-F205 AromaticContact CZ-CE1 3.97Å; F187-F205 HydrophobicContact CZ-CE1 3.97Å; F187-F205 AromaticContact CZ-CZ 3.97Å; F187-F205 HydrophobicContact CZ-CZ 3.97Å; L197-F205 HydrophobicContact CD2-CD2 3.95Å; L197-F205 HydrophobicContact CD2-CE2 4.07Å; A198-F205 CarbonylContact O-C 3.58Å; A198-F205 VanDerWaalsContact O-CA 3.29Å; A198-F205 WeakPolarHBondContact O-CA 3.29Å; A198-F205 WeakPolarHBondContact O-CB 3.26Å; F205-W217 HydrophobicContact CD1-CB 4.04Å; F205-W217 HydrophobicContact CD2-CB 4.19Å; F205-W217 AromaticContact CD2-CD1 3.91Å; F205-W217 HydrophobicContact CD2-CG 4.36Å; F205-W217 HydrophobicContact CE1-CB 3.57Å; F205-W217 HydrophobicContact CE1-CG 4.35Å; F205-W217 HydrophobicContact CE2-CB 3.73Å; F205-W217 AromaticContact CE2-CD1 3.4Å; F205-W217 VanDerWaalsContact CE2-CD1 3.4Å; F205-W217 AromaticContact CE2-CG 3.68Å; F205-W217 HydrophobicContact CE2-CG 3.68Å; F205-W217 HydrophobicContact CG-CB 4.34Å; F205-W217 HydrophobicContact CZ-CB 3.4Å; F205-W217 VanDerWaalsContact CZ-CB 3.4Å; F205-W217 AromaticContact CZ-CD1 3.91Å; F205-W217 AromaticContact CZ-CG 3.69Å; F205-W217 HydrophobicContact CZ-CG 3.69Å; F205-W217 PolarHBondContact N-O 3.03Å; F205-W217 PolarHBondContact O-N 3Å; F205-V219 HydrophobicContact CD1-CG1 4.31Å; F205-V219 HydrophobicContact CE1-CG1 4.44Å
206F98.2Very high95.1Very high0 Ų023.8 Ų23.80%013%0.13CC..EExtended strand (participates in β ladder)trans-97.6151.6166.5-64.9-66.9000111.1L197 A198 V200 R215 R216 Y227 L237 V239 F246L197-F206 WeakPolarHBondContact CA-O 3.41Å; A198-F206 PolarHBondContact N-O 2.98Å; A198-F206 PolarHBondContact O-N 2.76Å; V200-F206 HydrophobicContact CG2-CD2 3.29Å; V200-F206 HydrophobicContact CG2-CE2 3.3Å; V200-F206 HydrophobicContact CG2-CG 3.99Å; V200-F206 HydrophobicContact CG2-CZ 3.99Å; F206-R215 CarbonylContact C-O 3.58Å; F206-R215 VanDerWaalsContact CA-O 3.25Å; F206-R215 WeakPolarHBondContact CA-O 3.1Å; F206-R216 HydrophobicContact CD1-CB 3.77Å; F206-R216 HydrophobicContact CD1-CG 3.97Å; F206-R216 HydrophobicContact CE1-CB 3.67Å; F206-R216 HydrophobicContact CE1-CG 3.65Å; F206-R216 HydrophobicContact CZ-CG 4.42Å; F206-Y227 HydrophobicContact CD1-CE2 4.09Å; F206-Y227 AromaticContact CE1-CE2 3.7Å; F206-Y227 HydrophobicContact CE1-CE2 3.7Å; F206-L237 HydrophobicContact CB-CD1 3.83Å; F206-V239 HydrophobicContact CD2-CG2 3.66Å; F206-V239 HydrophobicContact CE2-CG2 3.98Å; F206-F246 HydrophobicContact CD1-CE1 4.42Å; F206-F246 HydrophobicContact CD2-CD1 4.21Å; F206-F246 HydrophobicContact CD2-CG 4.34Å; F206-F246 HydrophobicContact CE1-CD1 4.08Å; F206-F246 AromaticContact CE1-CE1 3.77Å; F206-F246 HydrophobicContact CE1-CE1 3.77Å; F206-F246 HydrophobicContact CE1-CZ 4.41Å; F206-F246 HydrophobicContact CE2-CB 4.26Å; F206-F246 AromaticContact CE2-CD1 3.53Å; F206-F246 HydrophobicContact CE2-CD1 3.53Å; F206-F246 HydrophobicContact CE2-CE1 4.1Å; F206-F246 HydrophobicContact CE2-CG 4.04Å; F206-F246 AromaticContact CZ-CD1 3.46Å; F206-F246 HydrophobicContact CZ-CD1 3.46Å; F206-F246 VanDerWaalsContact CZ-CD1 3.46Å; F206-F246 AromaticContact CZ-CE1 3.6Å; F206-F246 HydrophobicContact CZ-CE1 3.6Å; F206-F246 HydrophobicContact CZ-CG 4.37Å
207S98.6Very high95.1Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-132.6151.3165.965.50000111.5I175 H190 G196 I214 R215 W217I175-S207 VanDerWaalsContact CD1-CB 3.41Å; I175-S207 WeakPolarHBondContact CD1-OG 3.35Å; H190-S207 PolarHBondContact CD2-OG 3.44Å; H190-S207 PolarHBondContact NE2-OG 2.99Å; G196-S207 VanDerWaalsContact O-CA 3.28Å; G196-S207 WeakPolarHBondContact O-CA 3.29Å; S207-I214 CarbonylContact O-C 3.57Å; S207-I214 VanDerWaalsContact O-CA 3.26Å; S207-I214 WeakPolarHBondContact O-CA 3.42Å; S207-I214 WeakPolarHBondContact O-CG2 3.35Å; S207-R215 PolarHBondContact N-O 3.41Å; S207-R215 PolarHBondContact O-N 3.03Å; S207-W217 PolarHBondContact OG-NE1 3.37Å
208C98.6Very high95Very high0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-129.6154.5171.171.20000111.3V194 R195 G196 I214 I234 L237V194-C208 WeakPolarHBondContact CG1-O 3.41Å; R195-C208 PolarHBondContact N-O 3.25Å; G196-C208 PolarHBondContact N-O 3.43Å; G196-C208 PolarHBondContact N-SG 3.47Å; G196-C208 VanDerWaalsContact N-SG 3.44Å; G196-C208 PolarHBondContact O-N 3.32Å; C208-I214 HydrophobicContact CB-CG1 4.08Å; C208-I234 HydrophobicContact CB-CB 3.83Å; C208-I234 HydrophobicContact CB-CD1 4.32Å; C208-I234 HydrophobicContact CB-CG2 3.59Å; C208-L237 HydrophobicContact CB-CD1 3.87Å; C208-L237 HydrophobicContact CB-CD2 4.11Å; C208-L237 HydrophobicContact CB-CG 3.93Å
209S97.9Very high94.8Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-140.1165-171.9168.80000112.9H190 D192 C193 D211 T212 S213 I234H190-S209 VanDerWaalsContact CE1-CB 3.48Å; H190-S209 WeakPolarHBondContact CE1-CB 3.28Å; H190-S209 WeakPolarHBondContact ND1-CB 3.47Å; D192-S209 PolarHBondContact O-OG 3.36Å; C193-S209 CarbonylContact O-C 3.51Å; C193-S209 VanDerWaalsContact O-CA 3.23Å; C193-S209 WeakPolarHBondContact O-CA 3.32Å; C193-S209 WeakPolarHBondContact O-CB 3.36Å; C193-S209 PolarHBondContact O-OG 3.07Å; S209-D211 WeakPolarHBondContact CB-OD1 3.33Å; S209-D211 PolarHBondContact O-N 2.82Å; S209-D211 PolarHBondContact OG-N 3.28Å; S209-D211 PolarHBondContact OG-OD1 3.46Å; S209-T212 PolarHBondContact O-N 3.14Å; S209-S213 PolarHBondContact N-O 2.89Å; S209-I234 PolarHBondContact O-N 3Å
210N95.6Very high94.7Very high21 Ų2127.2 Ų27.211%0.11215%0.147CC..THydrogen-bonded Turntrans-58.2-20.8162.4-77.614.2000112.8D192 C193 R195 T212 Y233D192-N210 HydrophobicContact CB-CB 3.82Å; D192-N210 WeakPolarHBondContact OD2-CB 3.4Å; C193-N210 HydrophobicContact CB-CB 4.3Å; C193-N210 PolarHBondContact O-N 3.11Å; R195-N210 VanDerWaalsContact CG-OD1 3.29Å; R195-N210 WeakPolarHBondContact CG-OD1 3.5Å; N210-T212 PolarHBondContact O-N 2.68Å; N210-Y233 HydrophobicContact CB-CD1 3.49Å; N210-Y233 VanDerWaalsContact CB-CD1 3.49Å; N210-Y233 HydrophobicContact CB-CE1 3.8Å; N210-Y233 HydrophobicContact CB-CG 4.02Å; N210-Y233 VanDerWaalsContact O-CD1 3.29Å; N210-Y233 WeakPolarHBondContact O-CD1 3.49Å
211D93.2Very high94.6Very high27 Ų2727.6 Ų27.614%0.14416%0.155CC..THydrogen-bonded Turntrans-71.310176.973.911.5000114.8H190 E191 D192 S209 S213H190-D211 WeakPolarHBondContact CA-OD2 3.39Å; H190-D211 WeakPolarHBondContact CB-OD2 3.27Å; H190-D211 IonicContact CE1-OD1 2.71Å; H190-D211 IonicContact CE1-OD2 3.13Å; H190-D211 IonicContact CG-OD2 2.88Å; H190-D211 IonicContact ND1-OD1 3.11Å; H190-D211 PolarHBondContact ND1-OD1 3.22Å; H190-D211 IonicContact ND1-OD2 3.07Å; H190-D211 PolarHBondContact ND1-OD2 3.12Å; E191-D211 HydrophobicContact CB-CB 4.12Å; E191-D211 PolarHBondContact N-OD2 2.72Å; D192-D211 HydrophobicContact CB-CB 4.11Å; S209-D211 WeakPolarHBondContact CB-OD1 3.33Å; S209-D211 PolarHBondContact O-N 2.82Å; S209-D211 PolarHBondContact OG-N 3.28Å; S209-D211 PolarHBondContact OG-OD1 3.46Å; D211-S213 VanDerWaalsContact CG-OG 3.28Å; D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 VanDerWaalsContact O-N 3.13Å; D211-S213 WeakPolarHBondContact OD1-CA 3.44Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.39Å; D211-S213 PolarHBondContact OD1-N 3.07Å; D211-S213 PolarHBondContact OD1-OG 2.9Å; D211-S213 PolarHBondContact OD2-OG 2.83Å
212T91.6Very high94.9Very high42 Ų4230.8 Ų30.826%0.25817%0.165SC..SBendtrans64.84.3-178.174.90000115.5S209 N210S209-T212 PolarHBondContact O-N 3.14Å; N210-T212 PolarHBondContact O-N 2.68Å
213S95.5Very high95.5Very high0 Ų030.9 Ų30.90%017%0.168CC..EExtended strand (participates in β ladder)trans-98.7146.8176.6780000113.1H190 S209 D211 R215H190-S213 PolarHBondContact CE1-O 3.03Å; H190-S213 PolarHBondContact CE1-OG 2.73Å; H190-S213 VanDerWaalsContact CE1-OG 3.27Å; H190-S213 PolarHBondContact ND1-OG 2.95Å; S209-S213 PolarHBondContact N-O 2.89Å; D211-S213 VanDerWaalsContact CG-OG 3.28Å; D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 VanDerWaalsContact O-N 3.13Å; D211-S213 WeakPolarHBondContact OD1-CA 3.44Å; D211-S213 VanDerWaalsContact OD1-CB 3.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.39Å; D211-S213 PolarHBondContact OD1-N 3.07Å; D211-S213 PolarHBondContact OD1-OG 2.9Å; D211-S213 PolarHBondContact OD2-OG 2.83Å; S213-R215 PolarHBondContact OG-NE 3.14Å
214I98.5Very high95.9Very high1 Ų129.4 Ų29.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-109138.3162.6-53.3174.4000106.7S207 C208 V226 Y227 I234 L237 F246 S248 W258S207-I214 CarbonylContact O-C 3.57Å; S207-I214 VanDerWaalsContact O-CA 3.26Å; S207-I214 WeakPolarHBondContact O-CA 3.42Å; S207-I214 WeakPolarHBondContact O-CG2 3.35Å; C208-I214 HydrophobicContact CB-CG1 4.08Å; I214-V226 CarbonylContact O-C 3.45Å; I214-V226 WeakPolarHBondContact O-CA 3.33Å; I214-Y227 HydrophobicContact CB-CD2 4.01Å; I214-Y227 HydrophobicContact CG2-CD2 4.01Å; I214-Y227 PolarHBondContact N-O 3.21Å; I214-Y227 WeakPolarHBondContact O-CD2 3.35Å; I214-Y227 PolarHBondContact O-N 3.32Å; I214-I234 HydrophobicContact CD1-CD1 4.08Å; I214-I234 HydrophobicContact CG1-CD1 3.46Å; I214-I234 VanDerWaalsContact CG1-CD1 3.46Å; I214-L237 HydrophobicContact CD1-CD2 3.97Å; I214-L237 HydrophobicContact CG1-CD2 4.42Å; I214-L237 HydrophobicContact CG2-CD1 4.37Å; I214-L237 HydrophobicContact CG2-CD2 4.08Å; I214-F246 HydrophobicContact CD1-CE2 3.83Å; I214-F246 HydrophobicContact CG2-CE2 4.02Å; I214-F246 HydrophobicContact CG2-CZ 4.25Å; I214-S248 WeakPolarHBondContact CD1-OG 3.34Å; I214-W258 HydrophobicContact CD1-CZ2 3.76Å
215R98.1Very high95.9Very high26 Ų2630.8 Ų30.810%0.09817%0.17CC..EExtended strand (participates in β ladder)trans-128.4136.2-176.4-66.4-177.6-176.1-125.35.6110.8G189 F206 S207 S213 W217 Q225 V226G189-R215 PolarHBondContact O-NH1 3.5Å; G189-R215 PolarHBondContact O-NH2 3.22Å; F206-R215 CarbonylContact C-O 3.58Å; F206-R215 VanDerWaalsContact CA-O 3.25Å; F206-R215 WeakPolarHBondContact CA-O 3.1Å; S207-R215 PolarHBondContact N-O 3.41Å; S207-R215 PolarHBondContact O-N 3.03Å; S213-R215 PolarHBondContact OG-NE 3.14Å; R215-W217 HydrophobicContact CB-CZ2 4.04Å; R215-W217 VanDerWaalsContact CB-NE1 3.32Å; R215-W217 HydrophobicContact CG-CZ2 4.44Å; R215-Q225 WeakPolarHBondContact CA-O 3.28Å; R215-V226 HydrophobicContact CG-CB 4.48Å; R215-V226 HydrophobicContact CG-CG1 3.97Å; R215-V226 HydrophobicContact CG-CG2 4.15Å
216R97.6Very high95.8Very high52 Ų5233.2 Ų33.220%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-98.3128.5170.7-169177.5176169.3-0.8108.5E204 F206 C223 V224 Q225 Y227E204-R216 IonicContact OE1-NH2 3.65Å; E204-R216 IonicContact OE2-CZ 3.93Å; E204-R216 IonicContact OE2-NE 4Å; E204-R216 PolarHBondContact OE2-NE 3.27Å; E204-R216 IonicContact OE2-NH2 3.99Å; E204-R216 PolarHBondContact OE2-NH2 2.88Å; F206-R216 HydrophobicContact CD1-CB 3.77Å; F206-R216 HydrophobicContact CD1-CG 3.97Å; F206-R216 HydrophobicContact CE1-CB 3.67Å; F206-R216 HydrophobicContact CE1-CG 3.65Å; F206-R216 HydrophobicContact CZ-CG 4.42Å; R216-C223 CarbonylContact O-C 3.6Å; R216-V224 HydrophobicContact CB-CG2 3.86Å; R216-V224 HydrophobicContact CG-CG2 3.62Å; R216-V224 PolarHBondContact O-N 3.17Å; R216-Q225 HydrophobicContact CB-CB 4.03Å; R216-Q225 PolarHBondContact N-O 3.43Å; R216-Y227 HydrophobicContact CB-CE2 4.23Å
217W97.6Very high95.6Very high6 Ų633.7 Ų33.72%0.02319%0.186CC..EExtended strand (participates in β ladder)trans-124.1142.5-175.8-5891.6000111.1F187 E204 F205 S207 R215 E222 C223F187-W217 HydrophobicContact CB-CE3 4.4Å; F187-W217 HydrophobicContact CB-CH2 4.37Å; F187-W217 HydrophobicContact CB-CZ3 4.17Å; F187-W217 HydrophobicContact CD1-CD2 4.22Å; F187-W217 AromaticContact CD1-CE3 3.79Å; F187-W217 HydrophobicContact CD1-CE3 3.79Å; F187-W217 HydrophobicContact CD1-CZ3 4.29Å; E204-W217 VanDerWaalsContact CA-O 3.27Å; E204-W217 WeakPolarHBondContact CA-O 3.41Å; F205-W217 HydrophobicContact CD1-CB 4.04Å; F205-W217 HydrophobicContact CD2-CB 4.19Å; F205-W217 AromaticContact CD2-CD1 3.91Å; F205-W217 HydrophobicContact CD2-CG 4.36Å; F205-W217 HydrophobicContact CE1-CB 3.57Å; F205-W217 HydrophobicContact CE1-CG 4.35Å; F205-W217 HydrophobicContact CE2-CB 3.73Å; F205-W217 AromaticContact CE2-CD1 3.4Å; F205-W217 VanDerWaalsContact CE2-CD1 3.4Å; F205-W217 AromaticContact CE2-CG 3.68Å; F205-W217 HydrophobicContact CE2-CG 3.68Å; F205-W217 HydrophobicContact CG-CB 4.34Å; F205-W217 HydrophobicContact CZ-CB 3.4Å; F205-W217 VanDerWaalsContact CZ-CB 3.4Å; F205-W217 AromaticContact CZ-CD1 3.91Å; F205-W217 AromaticContact CZ-CG 3.69Å; F205-W217 HydrophobicContact CZ-CG 3.69Å; F205-W217 PolarHBondContact N-O 3.03Å; F205-W217 PolarHBondContact O-N 3Å; S207-W217 PolarHBondContact OG-NE1 3.37Å; R215-W217 HydrophobicContact CB-CZ2 4.04Å; R215-W217 VanDerWaalsContact CB-NE1 3.32Å; R215-W217 HydrophobicContact CG-CZ2 4.44Å; W217-E222 WeakPolarHBondContact CA-O 3.37Å; W217-C223 HydrophobicContact CD2-CB 4.3Å; W217-C223 HydrophobicContact CE3-CB 3.69Å; W217-C223 HydrophobicContact CH2-CB 4.02Å; W217-C223 HydrophobicContact CZ3-CB 3.54Å
218L96Very high95.1Very high41 Ų4140.9 Ų40.922%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-84143.6156.5-71.7164.9000109F187 L203 E204 T220 G221 E222 V224F187-L218 WeakPolarHBondContact CE1-O 3.25Å; L203-L218 CarbonylContact O-C 3.54Å; L203-L218 WeakPolarHBondContact O-CA 3.29Å; E204-L218 HydrophobicContact CG-CD2 3.58Å; E204-L218 HydrophobicContact CG-CG 4.45Å; L218-T220 VanDerWaalsContact CB-OG1 3.25Å; L218-T220 WeakPolarHBondContact CB-OG1 3.49Å; L218-T220 PolarHBondContact O-N 3.39Å; L218-G221 PolarHBondContact O-N 2.88Å; L218-E222 HydrophobicContact CB-CB 4.36Å; L218-E222 HydrophobicContact CD1-CB 4.24Å; L218-E222 PolarHBondContact N-O 2.93Å; L218-V224 HydrophobicContact CD1-CG1 3.54Å; L218-V224 HydrophobicContact CG-CG1 3.77Å
219V92.7Very high94.2Very high18 Ų1842.4 Ų42.411%0.10923%0.225CC..THydrogen-bonded Turntrans-57.4-15.2174-650000113.7L160 L203 F205 G221L160-V219 HydrophobicContact CD1-CG1 3.73Å; L203-V219 HydrophobicContact CB-CG2 4.47Å; L203-V219 HydrophobicContact CD2-CG2 4.02Å; L203-V219 PolarHBondContact O-N 2.92Å; F205-V219 HydrophobicContact CD1-CG1 4.31Å; F205-V219 HydrophobicContact CE1-CG1 4.44Å; V219-G221 PolarHBondContact O-N 3.05Å
220T90.3Very high93.6Very high86 Ų8642.7 Ų42.753%0.52823%0.226SC..THydrogen-bonded Turntrans-64.7-19.2171.260.60000113.8K185 L218K185-T220 WeakPolarHBondContact CD-O 3.25Å; K185-T220 WeakPolarHBondContact CE-O 3.27Å; K185-T220 PolarHBondContact NZ-O 3.23Å; L218-T220 VanDerWaalsContact CB-OG1 3.25Å; L218-T220 WeakPolarHBondContact CB-OG1 3.49Å; L218-T220 PolarHBondContact O-N 3.39Å
221G92.6Very high92.8Very high29 Ų2944.1 Ų44.130%0.29924%0.236SC..SBendtrans109.2-8.1-174.400000114.6L218 V219L218-G221 PolarHBondContact O-N 2.88Å; V219-G221 PolarHBondContact O-N 3.05Å
222E95.9Very high92.5Very high116 Ų11644.6 Ų44.654%0.54224%0.238SC..  trans-80.3128.9-175.7-174.7174.5-179.700111.7W217 L218 V224W217-E222 WeakPolarHBondContact CA-O 3.37Å; L218-E222 HydrophobicContact CB-CB 4.36Å; L218-E222 HydrophobicContact CD1-CB 4.24Å; L218-E222 PolarHBondContact N-O 2.93Å; E222-V224 HydrophobicContact CG-CG1 4.01Å; E222-V224 PolarHBondContact O-N 3.05Å
223C97.2Very high92.5Very high46 Ų4647.2 Ų47.231%0.31124%0.244SC..EExtended strand (participates in β ladder)trans-87.898.7171.7-166.70000108.5R216 W217R216-C223 CarbonylContact O-C 3.6Å; W217-C223 HydrophobicContact CD2-CB 4.3Å; W217-C223 HydrophobicContact CE3-CB 3.69Å; W217-C223 HydrophobicContact CH2-CB 4.02Å; W217-C223 HydrophobicContact CZ3-CB 3.54Å
224V96.3Very high92.7Very high63 Ų6347.2 Ų47.238%0.38224%0.244SC..EExtended strand (participates in β ladder)trans-82.4-22.9-173-62.80000113.4R216 L218 E222R216-V224 HydrophobicContact CB-CG2 3.86Å; R216-V224 HydrophobicContact CG-CG2 3.62Å; R216-V224 PolarHBondContact O-N 3.17Å; L218-V224 HydrophobicContact CD1-CG1 3.54Å; L218-V224 HydrophobicContact CG-CG1 3.77Å; E222-V224 HydrophobicContact CG-CG1 4.01Å; E222-V224 PolarHBondContact O-N 3.05Å
225Q94.8Very high92.6Very high73 Ų7348.1 Ų48.134%0.34125%0.248SC..EExtended strand (participates in β ladder)trans-153.6148.2175.8-162.4164.66.300111.4R215 R216 Y227R215-Q225 WeakPolarHBondContact CA-O 3.28Å; R216-Q225 HydrophobicContact CB-CB 4.03Å; R216-Q225 PolarHBondContact N-O 3.43Å; Q225-Y227 HydrophobicContact CB-CE2 4.3Å; Q225-Y227 VanDerWaalsContact CD-CZ 3.41Å; Q225-Y227 HydrophobicContact CG-CD1 4.33Å; Q225-Y227 HydrophobicContact CG-CE1 3.72Å; Q225-Y227 HydrophobicContact CG-CE2 4.21Å; Q225-Y227 VanDerWaalsContact NE2-CE1 3.28Å; Q225-Y227 PolarHBondContact OE1-OH 3.25Å
226V95.6Very high92.6Very high50 Ų5047.8 Ų47.830%0.30325%0.25SC..EExtended strand (participates in β ladder)trans-127.2133.8170.8-169.80000108.3I214 R215 Y228I214-V226 CarbonylContact O-C 3.45Å; I214-V226 WeakPolarHBondContact O-CA 3.33Å; R215-V226 HydrophobicContact CG-CB 4.48Å; R215-V226 HydrophobicContact CG-CG1 3.97Å; R215-V226 HydrophobicContact CG-CG2 4.15Å; V226-Y228 HydrophobicContact CB-CE2 4.05Å; V226-Y228 HydrophobicContact CG1-CD2 4.16Å; V226-Y228 HydrophobicContact CG1-CE1 4.29Å; V226-Y228 HydrophobicContact CG1-CE2 3.44Å; V226-Y228 VanDerWaalsContact CG1-CE2 3.44Å
227Y94.2Very high92.6Very high10 Ų1046.1 Ų46.14%0.03924%0.244CC..EExtended strand (participates in β ladder)trans-115.1134.8179.5-44.4-91000109.9F206 I214 R216 Q225 F246 W258 G261F206-Y227 HydrophobicContact CD1-CE2 4.09Å; F206-Y227 AromaticContact CE1-CE2 3.7Å; F206-Y227 HydrophobicContact CE1-CE2 3.7Å; I214-Y227 HydrophobicContact CB-CD2 4.01Å; I214-Y227 HydrophobicContact CG2-CD2 4.01Å; I214-Y227 PolarHBondContact N-O 3.21Å; I214-Y227 WeakPolarHBondContact O-CD2 3.35Å; I214-Y227 PolarHBondContact O-N 3.32Å; R216-Y227 HydrophobicContact CB-CE2 4.23Å; Q225-Y227 HydrophobicContact CB-CE2 4.3Å; Q225-Y227 VanDerWaalsContact CD-CZ 3.41Å; Q225-Y227 HydrophobicContact CG-CD1 4.33Å; Q225-Y227 HydrophobicContact CG-CE1 3.72Å; Q225-Y227 HydrophobicContact CG-CE2 4.21Å; Q225-Y227 VanDerWaalsContact NE2-CE1 3.28Å; Q225-Y227 PolarHBondContact OE1-OH 3.25Å; Y227-F246 HydrophobicContact CD1-CZ 4.48Å; Y227-F246 AromaticContact CD2-CZ 3.97Å; Y227-F246 HydrophobicContact CD2-CZ 3.97Å; Y227-F246 HydrophobicContact CE1-CE1 4.46Å; Y227-F246 HydrophobicContact CE1-CZ 4.49Å; Y227-F246 HydrophobicContact CE2-CE1 4.15Å; Y227-F246 AromaticContact CE2-CZ 3.97Å; Y227-F246 HydrophobicContact CE2-CZ 3.97Å; Y227-F246 HydrophobicContact CG-CZ 4.24Å; Y227-W258 HydrophobicContact CD1-CE3 4.22Å; Y227-W258 HydrophobicContact CD1-CZ3 4.16Å; Y227-W258 HydrophobicContact CG-CE3 4.47Å; Y227-W258 HydrophobicContact CG-CZ3 4.21Å; Y227-G261 WeakPolarHBondContact CD1-O 3.09Å; Y227-G261 WeakPolarHBondContact CE1-O 3.21Å
228Y88Confident92.6Very high151 Ų15146.5 Ų46.559%0.59225%0.249SC*.EExtended strand (participates in β ladder)trans-126.8125.1177.6-63.1-83.2000108.8V226V226-Y228 HydrophobicContact CB-CE2 4.05Å; V226-Y228 HydrophobicContact CG1-CD2 4.16Å; V226-Y228 HydrophobicContact CG1-CE1 4.29Å; V226-Y228 HydrophobicContact CG1-CE2 3.44Å; V226-Y228 VanDerWaalsContact CG1-CE2 3.44Å
229S79.8Confident92.7Very high32 Ų3246.1 Ų46.122%0.22425%0.248CC..  trans-165.3-41.1177.7-168.50000110.8R256 C263S229-R256 VanDerWaalsContact C-CZ 3.43Å; S229-R256 PolarHBondContact O-NH1 3.38Å; S229-R256 PolarHBondContact O-NH2 2.81Å; S229-R256 PolarHBondContact OG-NH1 2.81Å; S229-C263 PolarHBondContact OG-SG 3.31Å; S229-C263 VanDerWaalsContact OG-SG 3.39Å
230H83.6Confident92.8Very high7 Ų746.1 Ų46.13%0.03225%0.247CC..  trans-62.1148.7168.2-76-75.4000111.6I234 S248 D252 T254 R256H230-I234 HydrophobicContact CB-CD1 3.92Å; H230-I234 HydrophobicContact CB-CG1 3.79Å; H230-S248 PolarHBondContact CD2-OG 3.08Å; H230-S248 WeakPolarHBondContact NE2-CB 3.29Å; H230-S248 PolarHBondContact NE2-OG 3.44Å; H230-D252 VanDerWaalsContact CA-OD2 3.29Å; H230-D252 WeakPolarHBondContact CA-OD2 3.38Å; H230-D252 IonicContact CE1-OD1 3.35Å; H230-D252 IonicContact CE1-OD2 2.97Å; H230-D252 IonicContact CG-OD2 3.55Å; H230-D252 VanDerWaalsContact ND1-CG 3.28Å; H230-D252 IonicContact ND1-OD1 3.78Å; H230-D252 PolarHBondContact ND1-OD1 3.09Å; H230-D252 VanDerWaalsContact ND1-OD1 3.08Å; H230-D252 IonicContact ND1-OD2 2.75Å; H230-D252 PolarHBondContact ND1-OD2 3.05Å; H230-T254 PolarHBondContact CE1-OG1 3.47Å; H230-T254 PolarHBondContact ND1-OG1 2.94Å; H230-R256 PolarHBondContact ND1-NE 2.57Å
231T79.8Confident92.8Very high51 Ų5148 Ų4831%0.31326%0.26SS..SBendtrans-118.45.5-17753.80000113.2D252 D328T231-D252 PolarHBondContact N-OD2 2.87Å; T231-D252 WeakPolarHBondContact OG1-CB 3.45Å; T231-D328 WeakPolarHBondContact CB-OD1 3.3Å; T231-D328 VanDerWaalsContact CG2-OD1 3.23Å; T231-D328 WeakPolarHBondContact CG2-OD1 3.48Å; T231-D328 PolarHBondContact OG1-OD1 3.14Å
232N86.9Confident92.7Very high37 Ų3750.9 Ų50.920%0.19827%0.269CS..SBendtrans-153.9-177.7173.7-157.5-11.3000108.8I234 E251 D252N232-I234 PolarHBondContact O-N 2.87Å; N232-E251 HydrophobicContact CB-CB 4.03Å; N232-E251 HydrophobicContact CB-CG 4.49Å; N232-E251 VanDerWaalsContact ND2-CG 3.26Å; N232-E251 WeakPolarHBondContact ND2-CG 3.21Å; N232-D252 HydrophobicContact CB-CB 4.04Å
233Y92.6Very high92.2Very high96 Ų9646.3 Ų46.338%0.37625%0.253SS..  trans-50.6132.8-172.5-55.1-23.3000113.7N210 Y235 G250 E251N210-Y233 HydrophobicContact CB-CD1 3.49Å; N210-Y233 VanDerWaalsContact CB-CD1 3.49Å; N210-Y233 HydrophobicContact CB-CE1 3.8Å; N210-Y233 HydrophobicContact CB-CG 4.02Å; N210-Y233 VanDerWaalsContact O-CD1 3.29Å; N210-Y233 WeakPolarHBondContact O-CD1 3.49Å; Y233-Y235 VanDerWaalsContact CB-CE1 3.5Å; Y233-Y235 HydrophobicContact CD2-CE1 4.22Å; Y233-Y235 HydrophobicContact CG-CE1 4.37Å; Y233-G250 CarbonylContact O-C 3.56Å; Y233-G250 WeakPolarHBondContact O-CA 3.23Å; Y233-E251 PolarHBondContact O-N 2.9Å
234I97.8Very high91.7Very high1 Ų150 Ų501%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-95.8133.1175.1-45.1178.7000108.4R195 C208 S209 I214 H230 N232 T249R195-I234 WeakPolarHBondContact CB-O 3.37Å; C208-I234 HydrophobicContact CB-CB 3.83Å; C208-I234 HydrophobicContact CB-CD1 4.32Å; C208-I234 HydrophobicContact CB-CG2 3.59Å; S209-I234 PolarHBondContact O-N 3Å; I214-I234 HydrophobicContact CD1-CD1 4.08Å; I214-I234 HydrophobicContact CG1-CD1 3.46Å; I214-I234 VanDerWaalsContact CG1-CD1 3.46Å; H230-I234 HydrophobicContact CB-CD1 3.92Å; H230-I234 HydrophobicContact CB-CG1 3.79Å; N232-I234 PolarHBondContact O-N 2.87Å; I234-T249 WeakPolarHBondContact CG2-O 3.42Å
235Y97.8Very high91.6Very high19 Ų1948 Ų488%0.07525%0.253CS..EExtended strand (participates in β ladder)trans-112.8-26.9-170.6-63.3-31.3000114.8R195 Y233 T249 E251 W275R195-Y235 VanDerWaalsContact CZ-CD1 3.43Å; R195-Y235 VanDerWaalsContact NH2-CD1 3.26Å; Y233-Y235 VanDerWaalsContact CB-CE1 3.5Å; Y233-Y235 HydrophobicContact CD2-CE1 4.22Å; Y233-Y235 HydrophobicContact CG-CE1 4.37Å; Y235-T249 PolarHBondContact N-O 3.06Å; Y235-E251 HydrophobicContact CE2-CB 3.88Å; Y235-E251 WeakPolarHBondContact CE2-OE2 3.48Å; Y235-E251 VanDerWaalsContact CZ-OE2 3.26Å; Y235-E251 PolarHBondContact OH-OE2 3.27Å; Y235-W275 WeakPolarHBondContact CB-O 3.4Å; Y235-W275 HydrophobicContact CD1-CZ3 4.33Å; Y235-W275 HydrophobicContact CD2-CD2 4.23Å; Y235-W275 AromaticContact CD2-CE3 3.44Å; Y235-W275 HydrophobicContact CD2-CE3 3.44Å; Y235-W275 VanDerWaalsContact CD2-CE3 3.44Å; Y235-W275 AromaticContact CD2-CZ3 3.7Å; Y235-W275 HydrophobicContact CD2-CZ3 3.7Å; Y235-W275 AromaticContact CE1-CZ3 4Å; Y235-W275 HydrophobicContact CE1-CZ3 4Å; Y235-W275 HydrophobicContact CE2-CD2 4.27Å; Y235-W275 AromaticContact CE2-CE3 3.51Å; Y235-W275 HydrophobicContact CE2-CE3 3.51Å; Y235-W275 AromaticContact CE2-CH2 3.91Å; Y235-W275 HydrophobicContact CE2-CH2 3.91Å; Y235-W275 AromaticContact CE2-CZ3 3.3Å; Y235-W275 HydrophobicContact CE2-CZ3 3.3Å; Y235-W275 AromaticContact CG-CE3 3.97Å; Y235-W275 HydrophobicContact CG-CE3 3.97Å; Y235-W275 HydrophobicContact CG-CZ3 4.16Å; Y235-W275 AromaticContact CZ-CH2 3.96Å; Y235-W275 AromaticContact CZ-CZ3 3.44Å; Y235-W275 VanDerWaalsContact CZ-CZ3 3.44Å
236S98.2Very high91.8Very high20 Ų2044.6 Ų44.614%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-149.4154.1-173-1660000111.9S248 T249 C277S236-S248 WeakPolarHBondContact O-CA 3.23Å; S236-T249 WeakPolarHBondContact CB-OG1 3.36Å; S236-T249 PolarHBondContact N-O 3.37Å; S236-T249 PolarHBondContact O-N 2.81Å; S236-C277 PolarHBondContact OG-N 3.03Å; S236-C277 PolarHBondContact OG-SG 3Å; S236-C277 VanDerWaalsContact OG-SG 3.42Å
237L98.1Very high91.9Very high16 Ų1642.2 Ų42.28%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-137.3141.9174.3-67.6174.1000108.6A198 F206 C208 I214 F246 V247A198-L237 HydrophobicContact CB-CB 3.98Å; F206-L237 HydrophobicContact CB-CD1 3.83Å; C208-L237 HydrophobicContact CB-CD1 3.87Å; C208-L237 HydrophobicContact CB-CD2 4.11Å; C208-L237 HydrophobicContact CB-CG 3.93Å; I214-L237 HydrophobicContact CD1-CD2 3.97Å; I214-L237 HydrophobicContact CG1-CD2 4.42Å; I214-L237 HydrophobicContact CG2-CD1 4.37Å; I214-L237 HydrophobicContact CG2-CD2 4.08Å; L237-F246 HydrophobicContact CD2-CD2 4.2Å; L237-F246 HydrophobicContact CD2-CE2 4.42Å; L237-V247 WeakPolarHBondContact CA-O 3.48Å
238A97.7Very high92.1Very high14 Ų1441.8 Ų41.812%0.11622%0.221CC..EExtended strand (participates in β ladder)trans-138.1137164.500000109.7F246 V247 I279A238-F246 CarbonylContact O-C 3.56Å; A238-F246 VanDerWaalsContact O-CA 3.27Å; A238-F246 WeakPolarHBondContact O-CA 3.34Å; A238-F246 WeakPolarHBondContact O-CB 3.1Å; A238-V247 HydrophobicContact CB-CG2 3.81Å; A238-V247 PolarHBondContact N-O 3.34Å; A238-V247 VanDerWaalsContact N-O 3.11Å; A238-V247 PolarHBondContact O-N 3.15Å; A238-I279 HydrophobicContact CB-CD1 3.89Å; A238-I279 HydrophobicContact CB-CG1 4.02Å
239V96.9Very high92.6Very high33 Ų3334.6 Ų34.620%0.219%0.193CC..EExtended strand (participates in β ladder)trans-102.8135.3-175.4173.30000109.5A198 F206 F246 I279A198-V239 HydrophobicContact CB-CG2 3.65Å; F206-V239 HydrophobicContact CD2-CG2 3.66Å; F206-V239 HydrophobicContact CE2-CG2 3.98Å; V239-F246 HydrophobicContact CG2-CB 4.07Å; V239-I279 VanDerWaalsContact C-CD1 3.45Å; V239-I279 WeakPolarHBondContact O-CD1 3.36Å
240F95.5Very high93.3Very high18 Ų1833 Ų338%0.07918%0.182CC..  trans-70.3155.3177-76.6-78.1000111.1Y7 N242 G243 D245 V247 I279 I285Y7-F240 HydrophobicContact CE2-CZ 4.35Å; Y7-F240 VanDerWaalsContact OH-CE1 3.27Å; Y7-F240 WeakPolarHBondContact OH-CE1 3.34Å; Y7-F240 WeakPolarHBondContact OH-CZ 3.38Å; F240-N242 PolarHBondContact O-N 2.92Å; F240-G243 PolarHBondContact O-N 3.11Å; F240-D245 HydrophobicContact CB-CB 4.3Å; F240-D245 HydrophobicContact CD2-CB 3.71Å; F240-D245 HydrophobicContact CG-CB 4.38Å; F240-D245 PolarHBondContact N-O 2.97Å; F240-V247 HydrophobicContact CE2-CG1 3.66Å; F240-V247 HydrophobicContact CZ-CG1 3.89Å; F240-I279 HydrophobicContact CB-CD1 4.37Å; F240-I279 HydrophobicContact CD1-CD1 3.71Å; F240-I279 HydrophobicContact CD1-CG1 4.24Å; F240-I279 HydrophobicContact CD1-CG2 3.83Å; F240-I279 HydrophobicContact CD2-CD1 3.93Å; F240-I279 HydrophobicContact CE1-CD1 3.86Å; F240-I279 HydrophobicContact CE1-CG1 4.03Å; F240-I279 HydrophobicContact CE1-CG2 3.94Å; F240-I279 HydrophobicContact CE2-CD1 4.1Å; F240-I279 HydrophobicContact CG-CD1 3.73Å; F240-I279 HydrophobicContact CZ-CD1 4.06Å; F240-I279 HydrophobicContact CZ-CG1 4.35Å; F240-I285 HydrophobicContact CZ-CD1 4.23Å; F240-I285 HydrophobicContact CZ-CG1 4.19Å
241P90.3Very high93.7Very high125 Ų12535.3 Ų35.381%0.81219%0.193SC*.THydrogen-bonded Turntrans-57.3-12179.1-27.135.7000115.8G243P241-G243 VanDerWaalsContact C-N 3.27Å
242N89.1Confident93.9Very high90 Ų9033.3 Ų33.348%0.48118%0.18SC..THydrogen-bonded Turntrans-77-8.7173.569.715000114.2F240 Q244 D245F240-N242 PolarHBondContact O-N 2.92Å; N242-Q244 VanDerWaalsContact C-N 3.27Å; N242-Q244 PolarHBondContact O-N 2.84Å; N242-Q244 PolarHBondContact OD1-N 3.32Å; N242-D245 PolarHBondContact ND2-OD2 2.83Å; N242-D245 PolarHBondContact OD1-N 2.92Å
243G85.8Confident94.1Very high21 Ų2132.6 Ų32.622%0.21618%0.175CC..SBendtrans64.626.9177.400000114.1V200 F240 P241V200-G243 WeakPolarHBondContact CG1-O 3.19Å; F240-G243 PolarHBondContact O-N 3.11Å; P241-G243 VanDerWaalsContact C-N 3.27Å
244Q87.3Confident94.2Very high122 Ų12228 Ų2857%0.5716%0.157SC*.SBendtrans-141.1-45.5178.1-64.1-170.85.300112.5N242N242-Q244 VanDerWaalsContact C-N 3.27Å; N242-Q244 PolarHBondContact O-N 2.84Å; N242-Q244 PolarHBondContact OD1-N 3.32Å
245D94.8Very high94.2Very high22 Ų2228 Ų2812%0.11816%0.157CC..  trans-84.5151.2178.6-59.8-25.5000109.7F240 N242 W258 K259 Q260F240-D245 HydrophobicContact CB-CB 4.3Å; F240-D245 HydrophobicContact CD2-CB 3.71Å; F240-D245 HydrophobicContact CG-CB 4.38Å; F240-D245 PolarHBondContact N-O 2.97Å; N242-D245 PolarHBondContact ND2-OD2 2.83Å; N242-D245 PolarHBondContact OD1-N 2.92Å; D245-W258 WeakPolarHBondContact CA-O 3.49Å; D245-W258 WeakPolarHBondContact CB-O 3.33Å; D245-K259 HydrophobicContact CB-CB 4.46Å; D245-K259 HydrophobicContact CB-CG 4.23Å; D245-K259 WeakPolarHBondContact OD1-CA 3.18Å; D245-Q260 PolarHBondContact OD1-N 3.31Å
246F97.9Very high94.2Very high2 Ų227.7 Ų27.71%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-153170.9-178.763.9-86.1000112.1F206 I214 Y227 L237 A238 V239 W258F206-F246 HydrophobicContact CD1-CE1 4.42Å; F206-F246 HydrophobicContact CD2-CD1 4.21Å; F206-F246 HydrophobicContact CD2-CG 4.34Å; F206-F246 HydrophobicContact CE1-CD1 4.08Å; F206-F246 AromaticContact CE1-CE1 3.77Å; F206-F246 HydrophobicContact CE1-CE1 3.77Å; F206-F246 HydrophobicContact CE1-CZ 4.41Å; F206-F246 HydrophobicContact CE2-CB 4.26Å; F206-F246 AromaticContact CE2-CD1 3.53Å; F206-F246 HydrophobicContact CE2-CD1 3.53Å; F206-F246 HydrophobicContact CE2-CE1 4.1Å; F206-F246 HydrophobicContact CE2-CG 4.04Å; F206-F246 AromaticContact CZ-CD1 3.46Å; F206-F246 HydrophobicContact CZ-CD1 3.46Å; F206-F246 VanDerWaalsContact CZ-CD1 3.46Å; F206-F246 AromaticContact CZ-CE1 3.6Å; F206-F246 HydrophobicContact CZ-CE1 3.6Å; F206-F246 HydrophobicContact CZ-CG 4.37Å; I214-F246 HydrophobicContact CD1-CE2 3.83Å; I214-F246 HydrophobicContact CG2-CE2 4.02Å; I214-F246 HydrophobicContact CG2-CZ 4.25Å; Y227-F246 HydrophobicContact CD1-CZ 4.48Å; Y227-F246 AromaticContact CD2-CZ 3.97Å; Y227-F246 HydrophobicContact CD2-CZ 3.97Å; Y227-F246 HydrophobicContact CE1-CE1 4.46Å; Y227-F246 HydrophobicContact CE1-CZ 4.49Å; Y227-F246 HydrophobicContact CE2-CE1 4.15Å; Y227-F246 AromaticContact CE2-CZ 3.97Å; Y227-F246 HydrophobicContact CE2-CZ 3.97Å; Y227-F246 HydrophobicContact CG-CZ 4.24Å; L237-F246 HydrophobicContact CD2-CD2 4.2Å; L237-F246 HydrophobicContact CD2-CE2 4.42Å; A238-F246 CarbonylContact O-C 3.56Å; A238-F246 VanDerWaalsContact O-CA 3.27Å; A238-F246 WeakPolarHBondContact O-CA 3.34Å; A238-F246 WeakPolarHBondContact O-CB 3.1Å; V239-F246 HydrophobicContact CG2-CB 4.07Å; F246-W258 HydrophobicContact CD1-CB 3.95Å; F246-W258 HydrophobicContact CD2-CB 4.06Å; F246-W258 AromaticContact CD2-CD1 3.52Å; F246-W258 AromaticContact CD2-CG 3.88Å; F246-W258 HydrophobicContact CD2-CG 3.88Å; F246-W258 HydrophobicContact CE1-CB 3.71Å; F246-W258 HydrophobicContact CE1-CG 4.1Å; F246-W258 HydrophobicContact CE2-CB 3.82Å; F246-W258 AromaticContact CE2-CD1 3.23Å; F246-W258 AromaticContact CE2-CD2 3.84Å; F246-W258 HydrophobicContact CE2-CD2 3.84Å; F246-W258 AromaticContact CE2-CE2 3.96Å; F246-W258 AromaticContact CE2-CG 3.36Å; F246-W258 HydrophobicContact CE2-CG 3.36Å; F246-W258 AromaticContact CE2-NE1 3.61Å; F246-W258 HydrophobicContact CG-CB 4.12Å; F246-W258 HydrophobicContact CG-CG 4.44Å; F246-W258 HydrophobicContact CZ-CB 3.64Å; F246-W258 AromaticContact CZ-CD1 3.88Å; F246-W258 AromaticContact CZ-CD2 3.79Å; F246-W258 HydrophobicContact CZ-CD2 3.79Å; F246-W258 HydrophobicContact CZ-CE3 4.3Å; F246-W258 AromaticContact CZ-CG 3.49Å; F246-W258 HydrophobicContact CZ-CG 3.49Å; F246-W258 VanDerWaalsContact CZ-CG 3.49Å; F246-W258 PolarHBondContact N-O 3.4Å; F246-W258 WeakPolarHBondContact O-CB 3.08Å; F246-W258 PolarHBondContact O-N 3.33Å
247V98.5Very high94.2Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-124153.5172.3-58.80000110.7L237 A238 F240 L255 R256 I257 C277 I279 I285L237-V247 WeakPolarHBondContact CA-O 3.48Å; A238-V247 HydrophobicContact CB-CG2 3.81Å; A238-V247 PolarHBondContact N-O 3.34Å; A238-V247 VanDerWaalsContact N-O 3.11Å; A238-V247 PolarHBondContact O-N 3.15Å; F240-V247 HydrophobicContact CE2-CG1 3.66Å; F240-V247 HydrophobicContact CZ-CG1 3.89Å; V247-L255 HydrophobicContact CB-CD1 3.93Å; V247-L255 HydrophobicContact CG1-CD1 4.47Å; V247-L255 HydrophobicContact CG2-CD1 4.45Å; V247-R256 VanDerWaalsContact CA-O 3.25Å; V247-R256 WeakPolarHBondContact CA-O 3.44Å; V247-I257 HydrophobicContact CG1-CG1 4.2Å; V247-C277 HydrophobicContact CG2-CB 4.34Å; V247-I279 HydrophobicContact CG2-CD1 4.21Å; V247-I279 HydrophobicContact CG2-CG1 4.26Å; V247-I285 HydrophobicContact CG1-CD1 3.72Å; V247-I285 HydrophobicContact CG1-CG1 4.16Å; V247-I285 HydrophobicContact CG2-CG2 4.27Å
248S98.6Very high94.1Very high0 Ų026.5 Ų26.50%015%0.147CC..EExtended strand (participates in β ladder)trans-139.1150.5176.262.30000112I214 H230 S236 L255 R256 W258I214-S248 WeakPolarHBondContact CD1-OG 3.34Å; H230-S248 PolarHBondContact CD2-OG 3.08Å; H230-S248 WeakPolarHBondContact NE2-CB 3.29Å; H230-S248 PolarHBondContact NE2-OG 3.44Å; S236-S248 WeakPolarHBondContact O-CA 3.23Å; S248-L255 WeakPolarHBondContact O-CA 2.94Å; S248-R256 PolarHBondContact N-O 3.06Å; S248-R256 PolarHBondContact O-N 3.37Å; S248-W258 PolarHBondContact OG-NE1 2.82Å
249T98.6Very high93.8Very high0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-134.3152.6177.971.70000112.2I234 Y235 S236 T254 L255 V274 C277 V287I234-T249 WeakPolarHBondContact CG2-O 3.42Å; Y235-T249 PolarHBondContact N-O 3.06Å; S236-T249 WeakPolarHBondContact CB-OG1 3.36Å; S236-T249 PolarHBondContact N-O 3.37Å; S236-T249 PolarHBondContact O-N 2.81Å; T249-T254 WeakPolarHBondContact CA-O 3.29Å; T249-L255 HydrophobicContact CG2-CB 4.38Å; T249-L255 HydrophobicContact CG2-CD1 3.87Å; T249-V274 CarbonylContact C-O 3.59Å; T249-V274 VanDerWaalsContact CB-O 3.23Å; T249-V274 WeakPolarHBondContact CB-O 3.42Å; T249-V274 HydrophobicContact CG2-CB 4.4Å; T249-V274 HydrophobicContact CG2-CG1 3.61Å; T249-V274 PolarHBondContact OG1-O 3Å; T249-C277 HydrophobicContact CG2-CB 3.69Å; T249-V287 HydrophobicContact CG2-CG1 4.08Å
250G94.1Very high93.4Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-159.2-174-176.300000117.2Y233 D252 R253 T254 V274Y233-G250 CarbonylContact O-C 3.56Å; Y233-G250 WeakPolarHBondContact O-CA 3.23Å; G250-D252 PolarHBondContact O-N 3.33Å; G250-R253 PolarHBondContact O-N 2.96Å; G250-T254 PolarHBondContact N-O 2.82Å; G250-V274 PolarHBondContact N-O 3.22Å; G250-V274 PolarHBondContact O-N 3.1Å
251E91.1Very high92.9Very high55 Ų5535 Ų3526%0.25719%0.186SC..THydrogen-bonded Turntrans-72.3-14.8176.9-167.867.5-177.800112.7N232 Y233 Y235 R253 S273N232-E251 HydrophobicContact CB-CB 4.03Å; N232-E251 HydrophobicContact CB-CG 4.49Å; N232-E251 VanDerWaalsContact ND2-CG 3.26Å; N232-E251 WeakPolarHBondContact ND2-CG 3.21Å; Y233-E251 PolarHBondContact O-N 2.9Å; Y235-E251 HydrophobicContact CE2-CB 3.88Å; Y235-E251 WeakPolarHBondContact CE2-OE2 3.48Å; Y235-E251 VanDerWaalsContact CZ-OE2 3.26Å; Y235-E251 PolarHBondContact OH-OE2 3.27Å; E251-R253 PolarHBondContact O-N 3.37Å; E251-R253 VanDerWaalsContact O-N 3.12Å; E251-S273 VanDerWaalsContact OE2-CB 3.3Å; E251-S273 WeakPolarHBondContact OE2-CB 3.31Å; E251-S273 PolarHBondContact OE2-OG 2.84Å
252D84.3Confident92.8Very high9 Ų935.3 Ų35.35%0.04818%0.177CC..THydrogen-bonded Turntrans-75.910.3172.571.6-6.4000113.4H230 T231 N232 G250 T254 R256 R268H230-D252 VanDerWaalsContact CA-OD2 3.29Å; H230-D252 WeakPolarHBondContact CA-OD2 3.38Å; H230-D252 IonicContact CE1-OD1 3.35Å; H230-D252 IonicContact CE1-OD2 2.97Å; H230-D252 IonicContact CG-OD2 3.55Å; H230-D252 VanDerWaalsContact ND1-CG 3.28Å; H230-D252 IonicContact ND1-OD1 3.78Å; H230-D252 PolarHBondContact ND1-OD1 3.09Å; H230-D252 VanDerWaalsContact ND1-OD1 3.08Å; H230-D252 IonicContact ND1-OD2 2.75Å; H230-D252 PolarHBondContact ND1-OD2 3.05Å; T231-D252 PolarHBondContact N-OD2 2.87Å; T231-D252 WeakPolarHBondContact OG1-CB 3.45Å; N232-D252 HydrophobicContact CB-CB 4.04Å; G250-D252 PolarHBondContact O-N 3.33Å; D252-T254 PolarHBondContact O-N 3.29Å; D252-T254 WeakPolarHBondContact OD1-CB 3.29Å; D252-T254 PolarHBondContact OD1-N 2.88Å; D252-T254 PolarHBondContact OD1-OG1 2.9Å; D252-T254 PolarHBondContact OD2-OG1 3.16Å; D252-T254 VanDerWaalsContact OD2-OG1 3.11Å; D252-R256 IonicContact OD2-CZ 2.68Å; D252-R256 IonicContact OD2-NE 2.74Å; D252-R256 IonicContact OD2-NH2 3.14Å; D252-R256 PolarHBondContact OD2-NH2 3.46Å; D252-R268 PolarHBondContact O-NE 3.21Å; D252-R268 PolarHBondContact O-NH2 3.34Å
253R91.5Very high93Very high22 Ų2232.1 Ų32.18%0.08316%0.161CC..SBendtrans66.316.8-179.6-51.3-179.3-74.71490.3114.3G250 E251 R268 L269 A271 Q272 T320 I322G250-R253 PolarHBondContact O-N 2.96Å; E251-R253 PolarHBondContact O-N 3.37Å; E251-R253 VanDerWaalsContact O-N 3.12Å; R253-R268 HydrophobicContact CB-CG 4.12Å; R253-R268 WeakPolarHBondContact O-CA 3.38Å; R253-L269 PolarHBondContact O-N 2.96Å; R253-A271 WeakPolarHBondContact CD-O 3.37Å; R253-A271 WeakPolarHBondContact CG-O 3.42Å; R253-Q272 VanDerWaalsContact CG-O 3.29Å; R253-Q272 WeakPolarHBondContact CG-O 3.41Å; R253-T320 PolarHBondContact NH1-OG1 3.14Å; R253-I322 VanDerWaalsContact NH2-CD1 3.34Å; R253-I322 VanDerWaalsContact NH2-CG1 3.34Å
254T94.6Very high93.3Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-107.9144.7-175.9690000114H230 T249 G250 D252 R256 T266 I267 R268H230-T254 PolarHBondContact CE1-OG1 3.47Å; H230-T254 PolarHBondContact ND1-OG1 2.94Å; T249-T254 WeakPolarHBondContact CA-O 3.29Å; G250-T254 PolarHBondContact N-O 2.82Å; D252-T254 PolarHBondContact O-N 3.29Å; D252-T254 WeakPolarHBondContact OD1-CB 3.29Å; D252-T254 PolarHBondContact OD1-N 2.88Å; D252-T254 PolarHBondContact OD1-OG1 2.9Å; D252-T254 PolarHBondContact OD2-OG1 3.16Å; D252-T254 VanDerWaalsContact OD2-OG1 3.11Å; T254-R256 PolarHBondContact OG1-NE 3.44Å; T254-T266 HydrophobicContact CG2-CG2 3.56Å; T254-I267 CarbonylContact C-O 3.5Å; T254-I267 WeakPolarHBondContact CA-O 3.16Å; T254-R268 HydrophobicContact CG2-CB 4.37Å
255L98.4Very high93.6Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-95.3128.7149.216565000107.2V247 S248 T249 I257 I267 L269 I285 V287 F297V247-L255 HydrophobicContact CB-CD1 3.93Å; V247-L255 HydrophobicContact CG1-CD1 4.47Å; V247-L255 HydrophobicContact CG2-CD1 4.45Å; S248-L255 WeakPolarHBondContact O-CA 2.94Å; T249-L255 HydrophobicContact CG2-CB 4.38Å; T249-L255 HydrophobicContact CG2-CD1 3.87Å; L255-I257 HydrophobicContact CD2-CD1 4.29Å; L255-I257 HydrophobicContact CG-CD1 4Å; L255-I267 HydrophobicContact CB-CB 4.41Å; L255-I267 HydrophobicContact CD2-CD1 4.3Å; L255-I267 PolarHBondContact N-O 3.01Å; L255-I267 PolarHBondContact O-N 2.79Å; L255-L269 HydrophobicContact CB-CD1 4.31Å; L255-I285 HydrophobicContact CD1-CG2 4.11Å; L255-I285 HydrophobicContact CD2-CD1 4.41Å; L255-I285 HydrophobicContact CD2-CG2 4.03Å; L255-V287 HydrophobicContact CB-CG1 4.45Å; L255-V287 HydrophobicContact CD1-CG1 4Å; L255-V287 HydrophobicContact CD2-CG1 3.88Å; L255-V287 HydrophobicContact CG-CG1 4.33Å; L255-F297 HydrophobicContact CD2-CD2 3.78Å; L255-F297 HydrophobicContact CD2-CE2 4.17Å; L255-F297 HydrophobicContact CD2-CG 4.29Å
256R97.3Very high93.6Very high12 Ų1230 Ų305%0.04515%0.145CC..EExtended strand (participates in β ladder)trans-117.5135.1175.9-63.1-175.6-167.7-110.93.3110.5S229 H230 V247 S248 D252 T254 Q265 T266S229-R256 VanDerWaalsContact C-CZ 3.43Å; S229-R256 PolarHBondContact O-NH1 3.38Å; S229-R256 PolarHBondContact O-NH2 2.81Å; S229-R256 PolarHBondContact OG-NH1 2.81Å; H230-R256 PolarHBondContact ND1-NE 2.57Å; V247-R256 VanDerWaalsContact CA-O 3.25Å; V247-R256 WeakPolarHBondContact CA-O 3.44Å; S248-R256 PolarHBondContact N-O 3.06Å; S248-R256 PolarHBondContact O-N 3.37Å; D252-R256 IonicContact OD2-CZ 2.68Å; D252-R256 IonicContact OD2-NE 2.74Å; D252-R256 IonicContact OD2-NH2 3.14Å; D252-R256 PolarHBondContact OD2-NH2 3.46Å; T254-R256 PolarHBondContact OG1-NE 3.44Å; R256-Q265 WeakPolarHBondContact CA-O 3.44Å; R256-T266 HydrophobicContact CG-CG2 4.13Å; R256-T266 PolarHBondContact NH1-OG1 3.12Å
257I97.8Very high93.5Very high2 Ų230.6 Ų30.61%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-106.6120.3179.6-61.679000107.7Y7 V247 L255 K259 Q264 Q265 I267 I285Y7-I257 HydrophobicContact CD2-CG1 3.99Å; Y7-I257 HydrophobicContact CD2-CG2 4.28Å; Y7-I257 HydrophobicContact CE2-CG2 4.22Å; Y7-I257 HydrophobicContact CG-CG1 4.49Å; V247-I257 HydrophobicContact CG1-CG1 4.2Å; L255-I257 HydrophobicContact CD2-CD1 4.29Å; L255-I257 HydrophobicContact CG-CD1 4Å; I257-K259 HydrophobicContact CG2-CG 4.17Å; I257-Q264 PolarHBondContact O-N 3.48Å; I257-Q265 HydrophobicContact CB-CB 4.26Å; I257-Q265 HydrophobicContact CD1-CB 4.16Å; I257-Q265 HydrophobicContact CD1-CG 4.44Å; I257-Q265 PolarHBondContact N-O 2.6Å; I257-Q265 PolarHBondContact O-N 3.43Å; I257-I267 HydrophobicContact CD1-CD1 3.92Å; I257-I267 HydrophobicContact CD1-CG1 4.09Å; I257-I285 HydrophobicContact CD1-CD1 4.48Å; I257-I285 HydrophobicContact CG1-CD1 3.87Å
258W95.5Very high93.2Very high9 Ų931 Ų313%0.03415%0.15CC..EExtended strand (participates in β ladder)trans-109.1115.9-178.2-5584000108.8I214 Y227 D245 F246 S248 E262 C263I214-W258 HydrophobicContact CD1-CZ2 3.76Å; Y227-W258 HydrophobicContact CD1-CE3 4.22Å; Y227-W258 HydrophobicContact CD1-CZ3 4.16Å; Y227-W258 HydrophobicContact CG-CE3 4.47Å; Y227-W258 HydrophobicContact CG-CZ3 4.21Å; D245-W258 WeakPolarHBondContact CA-O 3.49Å; D245-W258 WeakPolarHBondContact CB-O 3.33Å; F246-W258 HydrophobicContact CD1-CB 3.95Å; F246-W258 HydrophobicContact CD2-CB 4.06Å; F246-W258 AromaticContact CD2-CD1 3.52Å; F246-W258 AromaticContact CD2-CG 3.88Å; F246-W258 HydrophobicContact CD2-CG 3.88Å; F246-W258 HydrophobicContact CE1-CB 3.71Å; F246-W258 HydrophobicContact CE1-CG 4.1Å; F246-W258 HydrophobicContact CE2-CB 3.82Å; F246-W258 AromaticContact CE2-CD1 3.23Å; F246-W258 AromaticContact CE2-CD2 3.84Å; F246-W258 HydrophobicContact CE2-CD2 3.84Å; F246-W258 AromaticContact CE2-CE2 3.96Å; F246-W258 AromaticContact CE2-CG 3.36Å; F246-W258 HydrophobicContact CE2-CG 3.36Å; F246-W258 AromaticContact CE2-NE1 3.61Å; F246-W258 HydrophobicContact CG-CB 4.12Å; F246-W258 HydrophobicContact CG-CG 4.44Å; F246-W258 HydrophobicContact CZ-CB 3.64Å; F246-W258 AromaticContact CZ-CD1 3.88Å; F246-W258 AromaticContact CZ-CD2 3.79Å; F246-W258 HydrophobicContact CZ-CD2 3.79Å; F246-W258 HydrophobicContact CZ-CE3 4.3Å; F246-W258 AromaticContact CZ-CG 3.49Å; F246-W258 HydrophobicContact CZ-CG 3.49Å; F246-W258 VanDerWaalsContact CZ-CG 3.49Å; F246-W258 PolarHBondContact N-O 3.4Å; F246-W258 WeakPolarHBondContact O-CB 3.08Å; F246-W258 PolarHBondContact O-N 3.33Å; S248-W258 PolarHBondContact OG-NE1 2.82Å; W258-E262 VanDerWaalsContact CA-O 3.31Å; W258-E262 WeakPolarHBondContact CA-O 3.12Å; W258-C263 HydrophobicContact CD2-CB 4.24Å; W258-C263 HydrophobicContact CE3-CB 3.76Å; W258-C263 HydrophobicContact CH2-CB 4.13Å; W258-C263 HydrophobicContact CZ3-CB 3.68Å
259K92.6Very high93Very high52 Ų5231 Ų3123%0.22615%0.15CC..EExtended strand (participates in β ladder)trans-125.5138.4171-49.5-175.2174.2179.50110.1D245 I257 G261 E262 Q264 E299D245-K259 HydrophobicContact CB-CB 4.46Å; D245-K259 HydrophobicContact CB-CG 4.23Å; D245-K259 WeakPolarHBondContact OD1-CA 3.18Å; I257-K259 HydrophobicContact CG2-CG 4.17Å; K259-G261 PolarHBondContact O-N 2.85Å; K259-E262 PolarHBondContact N-O 2.89Å; K259-E262 PolarHBondContact O-N 2.98Å; K259-Q264 HydrophobicContact CB-CG 3.82Å; K259-Q264 HydrophobicContact CG-CG 4.29Å; K259-E299 IonicContact NZ-OE2 3.48Å; K259-E299 PolarHBondContact NZ-OE2 3.2Å
260Q87.9Confident92.7Very high173 Ų17331.9 Ų31.981%0.80816%0.156SC*.THydrogen-bonded Turntrans56.728.7180-55177.76.100114.3D245D245-Q260 PolarHBondContact OD1-N 3.31Å
261G85.4Confident92.6Very high19 Ų1932.2 Ų32.220%0.19616%0.158CC..THydrogen-bonded Turntrans84.10.6178.900000115.8Y227 K259Y227-G261 WeakPolarHBondContact CD1-O 3.09Å; Y227-G261 WeakPolarHBondContact CE1-O 3.21Å; K259-G261 PolarHBondContact O-N 2.85Å
262E88.8Confident92.4Very high132 Ų13236.9 Ų36.962%0.61718%0.18SC*.EExtended strand (participates in β ladder)trans-114.5150.9178.1-72.1-67170.800111.6W258 K259 Q264W258-E262 VanDerWaalsContact CA-O 3.31Å; W258-E262 WeakPolarHBondContact CA-O 3.12Å; K259-E262 PolarHBondContact N-O 2.89Å; K259-E262 PolarHBondContact O-N 2.98Å; E262-Q264 PolarHBondContact O-N 3.49Å; E262-Q264 VanDerWaalsContact O-N 3.12Å
263C92Very high92.7Very high22 Ų2236.7 Ų36.715%0.14918%0.179CC..EExtended strand (participates in β ladder)trans-77.794.1173.5-176.60000109.5S229 W258S229-C263 PolarHBondContact OG-SG 3.31Å; S229-C263 VanDerWaalsContact OG-SG 3.39Å; W258-C263 HydrophobicContact CD2-CB 4.24Å; W258-C263 HydrophobicContact CE3-CB 3.76Å; W258-C263 HydrophobicContact CH2-CB 4.13Å; W258-C263 HydrophobicContact CZ3-CB 3.68Å
264Q92.2Very high93Very high96 Ų9635.6 Ų35.645%0.44918%0.175SC..EExtended strand (participates in β ladder)trans-75.6-28.5-175.4-67.5-64-3600113.7I257 K259 E262I257-Q264 PolarHBondContact O-N 3.48Å; K259-Q264 HydrophobicContact CB-CG 3.82Å; K259-Q264 HydrophobicContact CG-CG 4.29Å; E262-Q264 PolarHBondContact O-N 3.49Å; E262-Q264 VanDerWaalsContact O-N 3.12Å
265Q94.4Very high93.2Very high22 Ų2237.6 Ų37.610%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-151.4138.3-178-169.6-179.8-0.500111.5Y7 R256 I257 I267 E350Y7-Q265 PolarHBondContact O-NE2 3.37Å; R256-Q265 WeakPolarHBondContact CA-O 3.44Å; I257-Q265 HydrophobicContact CB-CB 4.26Å; I257-Q265 HydrophobicContact CD1-CB 4.16Å; I257-Q265 HydrophobicContact CD1-CG 4.44Å; I257-Q265 PolarHBondContact N-O 2.6Å; I257-Q265 PolarHBondContact O-N 3.43Å; Q265-I267 HydrophobicContact CG-CG1 4.09Å; Q265-E350 WeakPolarHBondContact CA-OE1 3.35Å
266T94.1Very high93.2Very high2 Ų237.9 Ų37.91%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-119.4111.7172.2-58.40000110.1T254 R256 E350 Q366T254-T266 HydrophobicContact CG2-CG2 3.56Å; R256-T266 HydrophobicContact CG-CG2 4.13Å; R256-T266 PolarHBondContact NH1-OG1 3.12Å; T266-E350 PolarHBondContact N-OE1 3.06Å; T266-Q366 VanDerWaalsContact CG2-NE2 3.33Å
267I95.8Very high93.3Very high16 Ų1637.7 Ų37.78%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-101.8112.3176.8-53-179.1000108.3Y7 T254 L255 I257 Q265 L269 F297Y7-I267 WeakPolarHBondContact O-CD1 3.3Å; T254-I267 CarbonylContact C-O 3.5Å; T254-I267 WeakPolarHBondContact CA-O 3.16Å; L255-I267 HydrophobicContact CB-CB 4.41Å; L255-I267 HydrophobicContact CD2-CD1 4.3Å; L255-I267 PolarHBondContact N-O 3.01Å; L255-I267 PolarHBondContact O-N 2.79Å; I257-I267 HydrophobicContact CD1-CD1 3.92Å; I257-I267 HydrophobicContact CD1-CG1 4.09Å; Q265-I267 HydrophobicContact CG-CG1 4.09Å; I267-L269 HydrophobicContact CG2-CD1 4.16Å; I267-F297 HydrophobicContact CD1-CD1 3.81Å; I267-F297 HydrophobicContact CD1-CE1 4.19Å; I267-F297 HydrophobicContact CD1-CG 4.23Å; I267-F297 HydrophobicContact CG2-CD1 4.36Å; I267-F297 HydrophobicContact CG2-CE1 3.68Å; I267-F297 HydrophobicContact CG2-CZ 3.92Å
268R93.3Very high93.3Very high9 Ų938.1 Ų38.13%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-87.3133.6173.9-170.6161-87.6-173.2-4.7110.3D252 R253 T254 L317 D328 I377D252-R268 PolarHBondContact O-NE 3.21Å; D252-R268 PolarHBondContact O-NH2 3.34Å; R253-R268 HydrophobicContact CB-CG 4.12Å; R253-R268 WeakPolarHBondContact O-CA 3.38Å; T254-R268 HydrophobicContact CG2-CB 4.37Å; R268-L317 HydrophobicContact CB-CD1 4.38Å; R268-L317 HydrophobicContact CG-CD1 4.04Å; R268-D328 IonicContact CZ-OD2 3.27Å; R268-D328 IonicContact NH1-OD2 3.46Å; R268-D328 PolarHBondContact NH1-OD2 3.1Å; R268-D328 IonicContact NH2-OD2 3.63Å; R268-D328 PolarHBondContact NH2-OD2 3.01Å; R268-I377 VanDerWaalsContact NH1-CD1 3.31Å
269L94.3Very high93.4Very high0 Ų038.8 Ų38.80%019%0.192CC..  trans-102.4152.3-179.3-84.472.9000111.2R253 L255 I267 A271 V274 V287 A289 F297 F313R253-L269 PolarHBondContact O-N 2.96Å; L255-L269 HydrophobicContact CB-CD1 4.31Å; I267-L269 HydrophobicContact CG2-CD1 4.16Å; L269-A271 PolarHBondContact O-N 2.97Å; L269-V274 HydrophobicContact CB-CG2 4.05Å; L269-V274 HydrophobicContact CD1-CG2 4.34Å; L269-V274 HydrophobicContact CD2-CG1 4.38Å; L269-V274 HydrophobicContact CD2-CG2 4.02Å; L269-V274 HydrophobicContact CG-CG2 4.36Å; L269-V287 HydrophobicContact CD2-CG2 3.64Å; L269-A289 HydrophobicContact CD2-CB 4.43Å; L269-F297 HydrophobicContact CD1-CE2 4.37Å; L269-F297 HydrophobicContact CD1-CZ 4.14Å; L269-F297 HydrophobicContact CG-CZ 4.46Å; L269-F313 HydrophobicContact CG-CZ 4.49Å
270P92.2Very high93.5Very high18 Ų1836.5 Ų36.512%0.11718%0.183CC..SBendtrans-78.431.1177.231.8-33.8000114.4F313 E316 T320P270-F313 VanDerWaalsContact CD-CE2 3.48Å; P270-F313 HydrophobicContact CG-CD2 4.43Å; P270-F313 HydrophobicContact CG-CE2 4.11Å; P270-E316 HydrophobicContact CB-CB 4.28Å; P270-E316 HydrophobicContact CB-CG 3.73Å; P270-E316 HydrophobicContact CG-CB 4.23Å; P270-E316 HydrophobicContact CG-CG 3.78Å; P270-E316 VanDerWaalsContact CG-OE2 3.29Å; P270-E316 WeakPolarHBondContact CG-OE2 3.45Å; P270-T320 HydrophobicContact CB-CG2 3.66Å
271A91.1Very high93.7Very high7 Ų732.1 Ų32.16%0.05817%0.169CC..SBendtrans-115.9166.9178.100000110.6R253 L269 A289 D291R253-A271 WeakPolarHBondContact CD-O 3.37Å; R253-A271 WeakPolarHBondContact CG-O 3.42Å; L269-A271 PolarHBondContact O-N 2.97Å; A271-A289 HydrophobicContact CB-CB 3.67Å; A271-D291 HydrophobicContact CB-CB 4.26Å
272Q86.4Confident94Very high152 Ų15234.7 Ų34.771%0.7118%0.178SC*.SBendtrans-76.8-34.8176.7-63.7178.715.100112.3R253 S290R253-Q272 VanDerWaalsContact CG-O 3.29Å; R253-Q272 WeakPolarHBondContact CG-O 3.41Å; Q272-S290 PolarHBondContact N-OG 2.76Å
273S91.9Very high94.2Very high5 Ų529.5 Ų29.54%0.03516%0.16CC..  trans-140.3140.4-177.4-46.50000110E251 A289 S290E251-S273 VanDerWaalsContact OE2-CB 3.3Å; E251-S273 WeakPolarHBondContact OE2-CB 3.31Å; E251-S273 PolarHBondContact OE2-OG 2.84Å; S273-A289 CarbonylContact O-C 3.53Å; S273-A289 WeakPolarHBondContact O-CA 3.3Å; S273-A289 WeakPolarHBondContact O-CB 3.39Å; S273-S290 PolarHBondContact N-OG 2.71Å; S273-S290 PolarHBondContact O-N 3.02Å
274V97.7Very high94.4Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-105.194.2167.9-169.30000107.8T249 G250 L269 V287T249-V274 CarbonylContact C-O 3.59Å; T249-V274 VanDerWaalsContact CB-O 3.23Å; T249-V274 WeakPolarHBondContact CB-O 3.42Å; T249-V274 HydrophobicContact CG2-CB 4.4Å; T249-V274 HydrophobicContact CG2-CG1 3.61Å; T249-V274 PolarHBondContact OG1-O 3Å; G250-V274 PolarHBondContact N-O 3.22Å; G250-V274 PolarHBondContact O-N 3.1Å; L269-V274 HydrophobicContact CB-CG2 4.05Å; L269-V274 HydrophobicContact CD1-CG2 4.34Å; L269-V274 HydrophobicContact CD2-CG1 4.38Å; L269-V274 HydrophobicContact CD2-CG2 4.02Å; L269-V274 HydrophobicContact CG-CG2 4.36Å; V274-V287 HydrophobicContact CG1-CB 3.94Å; V274-V287 HydrophobicContact CG1-CG1 4.46Å; V274-V287 HydrophobicContact CG1-CG2 4.25Å
275W97.9Very high94.7Very high42 Ų4224 Ų2416%0.15913%0.132CC..EExtended strand (participates in β ladder)trans-73.7-37.9-165.2-74.5118.1000114.5D19 V20 Y235 G288D19-W275 PolarHBondContact OD2-NE1 3.12Å; V20-W275 WeakPolarHBondContact O-CB 3.26Å; Y235-W275 WeakPolarHBondContact CB-O 3.4Å; Y235-W275 HydrophobicContact CD1-CZ3 4.33Å; Y235-W275 HydrophobicContact CD2-CD2 4.23Å; Y235-W275 AromaticContact CD2-CE3 3.44Å; Y235-W275 HydrophobicContact CD2-CE3 3.44Å; Y235-W275 VanDerWaalsContact CD2-CE3 3.44Å; Y235-W275 AromaticContact CD2-CZ3 3.7Å; Y235-W275 HydrophobicContact CD2-CZ3 3.7Å; Y235-W275 AromaticContact CE1-CZ3 4Å; Y235-W275 HydrophobicContact CE1-CZ3 4Å; Y235-W275 HydrophobicContact CE2-CD2 4.27Å; Y235-W275 AromaticContact CE2-CE3 3.51Å; Y235-W275 HydrophobicContact CE2-CE3 3.51Å; Y235-W275 AromaticContact CE2-CH2 3.91Å; Y235-W275 HydrophobicContact CE2-CH2 3.91Å; Y235-W275 AromaticContact CE2-CZ3 3.3Å; Y235-W275 HydrophobicContact CE2-CZ3 3.3Å; Y235-W275 AromaticContact CG-CE3 3.97Å; Y235-W275 HydrophobicContact CG-CE3 3.97Å; Y235-W275 HydrophobicContact CG-CZ3 4.16Å; Y235-W275 AromaticContact CZ-CH2 3.96Å; Y235-W275 AromaticContact CZ-CZ3 3.44Å; Y235-W275 VanDerWaalsContact CZ-CZ3 3.44Å; W275-G288 PolarHBondContact N-O 2.72Å
276C98.4Very high94.9Very high6 Ų623 Ų234%0.04113%0.128CC..EExtended strand (participates in β ladder)trans-148.6154.5-171.559.60000112.3V20 V287 G288V20-C276 PolarHBondContact O-SG 3.44Å; C276-V287 VanDerWaalsContact O-CA 3.31Å; C276-V287 WeakPolarHBondContact O-CA 2.83Å; C276-G288 PolarHBondContact N-O 2.81Å; C276-G288 PolarHBondContact O-N 3.31Å
277C98.5Very high95.1Very high8 Ų822.9 Ų22.95%0.05413%0.127CC..EExtended strand (participates in β ladder)trans-140.6154.2172.761.60000111.3S236 V247 T249 A286 V287S236-C277 PolarHBondContact OG-N 3.03Å; S236-C277 PolarHBondContact OG-SG 3Å; S236-C277 VanDerWaalsContact OG-SG 3.42Å; V247-C277 HydrophobicContact CG2-CB 4.34Å; T249-C277 HydrophobicContact CG2-CB 3.69Å; C277-A286 CarbonylContact C-O 3.6Å; C277-A286 VanDerWaalsContact CA-O 3.26Å; C277-A286 WeakPolarHBondContact CA-O 3.18Å; C277-V287 HydrophobicContact CB-CG1 3.88Å
278C98Very high95.2Very high10 Ų1022.1 Ų22.17%0.06812%0.123CC..EExtended strand (participates in β ladder)trans-143.2156.816270.90000110.3L23 A286L23-C278 HydrophobicContact CB-CB 4.24Å; C278-A286 PolarHBondContact N-O 3.5Å; C278-A286 PolarHBondContact O-N 3Å
279I97.4Very high95.4Very high24 Ų2421.7 Ų21.712%0.12312%0.121CC..EExtended strand (participates in β ladder)trans-99.8127.4174-67.4159.5000107.4A238 V239 F240 V247A238-I279 HydrophobicContact CB-CD1 3.89Å; A238-I279 HydrophobicContact CB-CG1 4.02Å; V239-I279 VanDerWaalsContact C-CD1 3.45Å; V239-I279 WeakPolarHBondContact O-CD1 3.36Å; F240-I279 HydrophobicContact CB-CD1 4.37Å; F240-I279 HydrophobicContact CD1-CD1 3.71Å; F240-I279 HydrophobicContact CD1-CG1 4.24Å; F240-I279 HydrophobicContact CD1-CG2 3.83Å; F240-I279 HydrophobicContact CD2-CD1 3.93Å; F240-I279 HydrophobicContact CE1-CD1 3.86Å; F240-I279 HydrophobicContact CE1-CG1 4.03Å; F240-I279 HydrophobicContact CE1-CG2 3.94Å; F240-I279 HydrophobicContact CE2-CD1 4.1Å; F240-I279 HydrophobicContact CG-CD1 3.73Å; F240-I279 HydrophobicContact CZ-CD1 4.06Å; F240-I279 HydrophobicContact CZ-CG1 4.35Å; V247-I279 HydrophobicContact CG2-CD1 4.21Å; V247-I279 HydrophobicContact CG2-CG1 4.26Å
280L95.7Very high95.5Very high4 Ų422.8 Ų22.82%0.02113%0.129CC..  trans-81.9156.6179.1-58.9-175.8000110.5A25 F33 F55 N282 G283 D284 A286 V296A25-L280 HydrophobicContact CB-CD2 4.27Å; F33-L280 HydrophobicContact CB-CD2 3.76Å; F33-L280 HydrophobicContact CD1-CD1 4.31Å; F33-L280 HydrophobicContact CD1-CD2 3.87Å; F33-L280 HydrophobicContact CG-CD2 4.04Å; F55-L280 HydrophobicContact CZ-CD1 3.86Å; L280-N282 WeakPolarHBondContact CB-OD1 3.41Å; L280-N282 PolarHBondContact O-N 3.12Å; L280-G283 PolarHBondContact O-N 3.42Å; L280-D284 HydrophobicContact CD1-CB 4.31Å; L280-D284 PolarHBondContact N-O 3.09Å; L280-A286 HydrophobicContact CD2-CB 4.4Å; L280-A286 HydrophobicContact CG-CB 4.45Å; L280-V296 HydrophobicContact CD1-CG1 4.28Å
281P91.9Very high95.6Very high81 Ų8124.6 Ų24.653%0.52614%0.138SC..THydrogen-bonded Turntrans-57.3-22.5-177.7-26.735.6000114.9
282N91.6Very high95.9Very high73 Ų7324.3 Ų24.339%0.3914%0.136SC..THydrogen-bonded Turntrans-88.23.1179.272.6-11.8000114.5L280 D284 R303L280-N282 WeakPolarHBondContact CB-OD1 3.41Å; L280-N282 PolarHBondContact O-N 3.12Å; N282-D284 PolarHBondContact ND2-OD2 2.62Å; N282-D284 VanDerWaalsContact OD1-CB 3.3Å; N282-D284 WeakPolarHBondContact OD1-CB 3.46Å; N282-D284 PolarHBondContact OD1-N 3.33Å; N282-D284 PolarHBondContact OD1-OD2 3.25Å; N282-R303 PolarHBondContact O-NH2 3.2Å; N282-R303 VanDerWaalsContact O-NH2 3.09Å
283G93.6Very high96.4Very high22 Ų2219.1 Ų19.123%0.22711%0.112CC..SBendtrans89-1.9-178.900000115.7Y7 L280Y7-G283 WeakPolarHBondContact CE1-O 3.33Å; Y7-G283 PolarHBondContact OH-O 2.97Å; L280-G283 PolarHBondContact O-N 3.42Å
284D95.8Very high96.7Very high4 Ų418.9 Ų18.92%0.02111%0.111CC..  trans-77.9154.1176.8-62.3-19.2000111.4L280 N282 V296 F297 T298 R303L280-D284 HydrophobicContact CD1-CB 4.31Å; L280-D284 PolarHBondContact N-O 3.09Å; N282-D284 PolarHBondContact ND2-OD2 2.62Å; N282-D284 VanDerWaalsContact OD1-CB 3.3Å; N282-D284 WeakPolarHBondContact OD1-CB 3.46Å; N282-D284 PolarHBondContact OD1-N 3.33Å; N282-D284 PolarHBondContact OD1-OD2 3.25Å; D284-V296 HydrophobicContact CB-CG1 4.01Å; D284-F297 CarbonylContact C-O 3.54Å; D284-F297 WeakPolarHBondContact CA-O 3.35Å; D284-F297 WeakPolarHBondContact CB-O 3.4Å; D284-T298 WeakPolarHBondContact OD1-CA 3.48Å; D284-T298 WeakPolarHBondContact OD1-CB 3.32Å; D284-T298 PolarHBondContact OD1-OG1 3.49Å; D284-R303 VanDerWaalsContact CG-NH2 3.33Å; D284-R303 IonicContact OD1-CZ 3.35Å; D284-R303 IonicContact OD1-NE 2.67Å; D284-R303 PolarHBondContact OD1-NE 3.5Å; D284-R303 IonicContact OD1-NH2 2.68Å; D284-R303 PolarHBondContact OD1-NH2 2.81Å; D284-R303 IonicContact OD2-CZ 2.76Å; D284-R303 IonicContact OD2-NE 2.78Å; D284-R303 PolarHBondContact OD2-NE 2.93Å; D284-R303 IonicContact OD2-NH2 2.7Å; D284-R303 PolarHBondContact OD2-NH2 2.82Å
285I98.3Very high96.7Very high0 Ų019 Ų190%011%0.111CC..EExtended strand (participates in β ladder)trans-109.7117.9-177.7-52.8158000108.8Y7 F240 V247 L255 I257 V287 V296 F297Y7-I285 HydrophobicContact CD1-CD1 3.55Å; Y7-I285 HydrophobicContact CD1-CG1 4.13Å; Y7-I285 HydrophobicContact CD2-CD1 4.09Å; Y7-I285 HydrophobicContact CE1-CD1 3.52Å; Y7-I285 HydrophobicContact CE1-CG1 3.76Å; Y7-I285 HydrophobicContact CE2-CD1 4.05Å; Y7-I285 HydrophobicContact CG-CD1 3.84Å; F240-I285 HydrophobicContact CZ-CD1 4.23Å; F240-I285 HydrophobicContact CZ-CG1 4.19Å; V247-I285 HydrophobicContact CG1-CD1 3.72Å; V247-I285 HydrophobicContact CG1-CG1 4.16Å; V247-I285 HydrophobicContact CG2-CG2 4.27Å; L255-I285 HydrophobicContact CD1-CG2 4.11Å; L255-I285 HydrophobicContact CD2-CD1 4.41Å; L255-I285 HydrophobicContact CD2-CG2 4.03Å; I257-I285 HydrophobicContact CD1-CD1 4.48Å; I257-I285 HydrophobicContact CG1-CD1 3.87Å; I285-V287 HydrophobicContact CG2-CG1 4.03Å; I285-V296 CarbonylContact O-C 3.54Å; I285-V296 WeakPolarHBondContact O-CA 3.21Å; I285-F297 PolarHBondContact N-O 3.42Å; I285-F297 PolarHBondContact O-N 2.94Å
286A98.4Very high96.7Very high0 Ų017 Ų170%010%0.103CC..EExtended strand (participates in β ladder)trans-95.6133.8169.400000110L23 C277 C278 L280 V296L23-A286 HydrophobicContact CD1-CB 4.25Å; C277-A286 CarbonylContact C-O 3.6Å; C277-A286 VanDerWaalsContact CA-O 3.26Å; C277-A286 WeakPolarHBondContact CA-O 3.18Å; C278-A286 PolarHBondContact N-O 3.5Å; C278-A286 PolarHBondContact O-N 3Å; L280-A286 HydrophobicContact CD2-CB 4.4Å; L280-A286 HydrophobicContact CG-CB 4.45Å; A286-V296 HydrophobicContact CB-CG2 4.22Å
287V98.7Very high96.7Very high0 Ų016.8 Ų16.80%010%0.102CC..EExtended strand (participates in β ladder)trans-128.3142.7175.3-570000112.2L23 T249 L255 L269 V274 C276 C277 I285 I294 R295 F297L23-V287 VanDerWaalsContact CD1-C 3.43Å; T249-V287 HydrophobicContact CG2-CG1 4.08Å; L255-V287 HydrophobicContact CB-CG1 4.45Å; L255-V287 HydrophobicContact CD1-CG1 4Å; L255-V287 HydrophobicContact CD2-CG1 3.88Å; L255-V287 HydrophobicContact CG-CG1 4.33Å; L269-V287 HydrophobicContact CD2-CG2 3.64Å; V274-V287 HydrophobicContact CG1-CB 3.94Å; V274-V287 HydrophobicContact CG1-CG1 4.46Å; V274-V287 HydrophobicContact CG1-CG2 4.25Å; C276-V287 VanDerWaalsContact O-CA 3.31Å; C276-V287 WeakPolarHBondContact O-CA 2.83Å; C277-V287 HydrophobicContact CB-CG1 3.88Å; I285-V287 HydrophobicContact CG2-CG1 4.03Å; V287-I294 CarbonylContact O-C 3.49Å; V287-I294 VanDerWaalsContact O-CA 3.31Å; V287-I294 WeakPolarHBondContact O-CA 3.34Å; V287-R295 HydrophobicContact CG2-CB 4.15Å; V287-R295 PolarHBondContact N-O 2.81Å; V287-R295 PolarHBondContact O-N 3.18Å; V287-F297 HydrophobicContact CG2-CD2 4.34Å; V287-F297 HydrophobicContact CG2-CE2 3.78Å
288G98.5Very high96.5Very high0 Ų016.4 Ų16.40%010%0.099CC..EExtended strand (participates in β ladder)trans-112.5131.7177.500000110.7L23 W275 C276L23-G288 VanDerWaalsContact CD1-N 3.3Å; W275-G288 PolarHBondContact N-O 2.72Å; C276-G288 PolarHBondContact N-O 2.81Å; C276-G288 PolarHBondContact O-N 3.31Å
289A97.4Very high96.3Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-125.4173-170.300000113.4D19 V20 L269 A271 S273 D291 G292 L293D19-A289 WeakPolarHBondContact CA-O 3.31Å; V20-A289 PolarHBondContact N-O 3.17Å; L269-A289 HydrophobicContact CD2-CB 4.43Å; A271-A289 HydrophobicContact CB-CB 3.67Å; S273-A289 CarbonylContact O-C 3.53Å; S273-A289 WeakPolarHBondContact O-CA 3.3Å; S273-A289 WeakPolarHBondContact O-CB 3.39Å; A289-D291 WeakPolarHBondContact CB-OD1 3.49Å; A289-D291 PolarHBondContact O-N 3.45Å; A289-G292 PolarHBondContact O-N 3.46Å; A289-L293 PolarHBondContact N-O 3.1Å
290S96.4Very high96.1Very high23 Ų2320.1 Ų20.116%0.16112%0.119CC..THydrogen-bonded Turntrans-68.9-12.3-176.470.60000114.8D19 Q272 S273 G292D19-S290 WeakPolarHBondContact OD2-CA 3.31Å; D19-S290 WeakPolarHBondContact OD2-CB 3.31Å; Q272-S290 PolarHBondContact N-OG 2.76Å; S273-S290 PolarHBondContact N-OG 2.71Å; S273-S290 PolarHBondContact O-N 3.02Å; S290-G292 VanDerWaalsContact C-N 3.34Å
291D94.9Very high95.9Very high56 Ų5627 Ų2730%0.29915%0.15SC..THydrogen-bonded Turntrans-88.51.8-179.760.5-3000113.4A271 A289 L293 R295A271-D291 HydrophobicContact CB-CB 4.26Å; A289-D291 WeakPolarHBondContact CB-OD1 3.49Å; A289-D291 PolarHBondContact O-N 3.45Å; D291-L293 PolarHBondContact O-N 3.24Å; D291-L293 WeakPolarHBondContact OD1-CB 3.26Å; D291-L293 PolarHBondContact OD1-N 3.01Å; D291-R295 IonicContact OD1-NH1 3.08Å; D291-R295 PolarHBondContact OD1-NH1 2.83Å; D291-R295 IonicContact OD2-CZ 3.86Å; D291-R295 IonicContact OD2-NH1 2.85Å; D291-R295 PolarHBondContact OD2-NH1 2.67Å; D291-R295 IonicContact OD2-NH2 2.67Å; D291-R295 PolarHBondContact OD2-NH2 3.46Å
292G96.1Very high95.7Very high1 Ų129.1 Ų29.11%0.0116%0.158CC..SBendtrans791-177.300000114.5M18 A289 S290M18-G292 VanDerWaalsContact O-CA 3.32Å; M18-G292 WeakPolarHBondContact O-CA 3.31Å; A289-G292 PolarHBondContact O-N 3.46Å; S290-G292 VanDerWaalsContact C-N 3.34Å
293L97.1Very high95.7Very high43 Ų4328.6 Ų28.623%0.22515%0.15CC..  trans-91.8147.1177.8-63.2177.1000111.6P14 A289 D291P14-L293 HydrophobicContact CB-CD2 3.92Å; A289-L293 PolarHBondContact N-O 3.1Å; D291-L293 PolarHBondContact O-N 3.24Å; D291-L293 WeakPolarHBondContact OD1-CB 3.26Å; D291-L293 PolarHBondContact OD1-N 3.01Å
294I98.1Very high95.7Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-105.1131.3166.2-53.1163.4000106.5I13 V20 L23 F33 W45 V287I13-I294 HydrophobicContact CB-CB 4.23Å; I13-I294 HydrophobicContact CD1-CB 4.46Å; I13-I294 HydrophobicContact CD1-CG2 4.29Å; I13-I294 PolarHBondContact N-O 3.16Å; I13-I294 PolarHBondContact O-N 2.7Å; V20-I294 HydrophobicContact CB-CG1 4.5Å; V20-I294 HydrophobicContact CG1-CG1 4.1Å; V20-I294 HydrophobicContact CG2-CG1 3.89Å; L23-I294 HydrophobicContact CD1-CG2 4.4Å; L23-I294 HydrophobicContact CD2-CD1 4.42Å; L23-I294 HydrophobicContact CD2-CG2 4.25Å; F33-I294 HydrophobicContact CE2-CD1 4.13Å; F33-I294 HydrophobicContact CE2-CG2 4.02Å; F33-I294 HydrophobicContact CZ-CG2 3.97Å; W45-I294 HydrophobicContact CZ2-CD1 4.06Å; V287-I294 CarbonylContact O-C 3.49Å; V287-I294 VanDerWaalsContact O-CA 3.31Å; V287-I294 WeakPolarHBondContact O-CA 3.34Å
295R97.9Very high95.5Very high1 Ų130.3 Ų30.30%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-119.6133.3176.6-65.4-176.9-179.880.1-7.4109.2L9 V287 D291 F297 E316L9-R295 HydrophobicContact CD1-CB 4.04Å; L9-R295 HydrophobicContact CD1-CG 4.38Å; V287-R295 HydrophobicContact CG2-CB 4.15Å; V287-R295 PolarHBondContact N-O 2.81Å; V287-R295 PolarHBondContact O-N 3.18Å; D291-R295 IonicContact OD1-NH1 3.08Å; D291-R295 PolarHBondContact OD1-NH1 2.83Å; D291-R295 IonicContact OD2-CZ 3.86Å; D291-R295 IonicContact OD2-NH1 2.85Å; D291-R295 PolarHBondContact OD2-NH1 2.67Å; D291-R295 IonicContact OD2-NH2 2.67Å; D291-R295 PolarHBondContact OD2-NH2 3.46Å; R295-F297 HydrophobicContact CB-CE2 3.77Å; R295-F297 HydrophobicContact CB-CZ 4.14Å; R295-E316 IonicContact NH2-OE1 3.81Å; R295-E316 PolarHBondContact NH2-OE1 2.91Å; R295-E316 IonicContact NH2-OE2 3.95Å; R295-E316 PolarHBondContact NH2-OE2 2.91Å
296V97.9Very high95.2Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-109.1131.9178.6-176.20000108.7S10 C11 I13 F55 L280 D284 I285 A286S10-V296 WeakPolarHBondContact CB-O 3.43Å; S10-V296 PolarHBondContact N-O 2.92Å; C11-V296 PolarHBondContact N-O 2.82Å; C11-V296 PolarHBondContact O-N 2.96Å; I13-V296 HydrophobicContact CD1-CG2 3.8Å; F55-V296 HydrophobicContact CD2-CG2 4.34Å; F55-V296 HydrophobicContact CE2-CG1 4.43Å; F55-V296 HydrophobicContact CE2-CG2 3.97Å; L280-V296 HydrophobicContact CD1-CG1 4.28Å; D284-V296 HydrophobicContact CB-CG1 4.01Å; I285-V296 CarbonylContact O-C 3.54Å; I285-V296 WeakPolarHBondContact O-CA 3.21Å; A286-V296 HydrophobicContact CB-CG2 4.22Å
297F97.8Very high95Very high2 Ų237.1 Ų37.11%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-118.7141.7-179.9-63.7-89.2000110.7Y7 K8 L9 L255 I267 L269 D284 I285 V287 R295 F313Y7-F297 HydrophobicContact CD1-CB 4.24Å; K8-F297 CarbonylContact O-C 3.59Å; K8-F297 VanDerWaalsContact O-CA 3.25Å; K8-F297 WeakPolarHBondContact O-CA 3.43Å; L9-F297 HydrophobicContact CB-CD1 4.38Å; L9-F297 HydrophobicContact CB-CE1 4.17Å; L9-F297 HydrophobicContact CD1-CE1 4.05Å; L9-F297 HydrophobicContact CD1-CZ 4.16Å; L255-F297 HydrophobicContact CD2-CD2 3.78Å; L255-F297 HydrophobicContact CD2-CE2 4.17Å; L255-F297 HydrophobicContact CD2-CG 4.29Å; I267-F297 HydrophobicContact CD1-CD1 3.81Å; I267-F297 HydrophobicContact CD1-CE1 4.19Å; I267-F297 HydrophobicContact CD1-CG 4.23Å; I267-F297 HydrophobicContact CG2-CD1 4.36Å; I267-F297 HydrophobicContact CG2-CE1 3.68Å; I267-F297 HydrophobicContact CG2-CZ 3.92Å; L269-F297 HydrophobicContact CD1-CE2 4.37Å; L269-F297 HydrophobicContact CD1-CZ 4.14Å; L269-F297 HydrophobicContact CG-CZ 4.46Å; D284-F297 CarbonylContact C-O 3.54Å; D284-F297 WeakPolarHBondContact CA-O 3.35Å; D284-F297 WeakPolarHBondContact CB-O 3.4Å; I285-F297 PolarHBondContact N-O 3.42Å; I285-F297 PolarHBondContact O-N 2.94Å; V287-F297 HydrophobicContact CG2-CD2 4.34Å; V287-F297 HydrophobicContact CG2-CE2 3.78Å; R295-F297 HydrophobicContact CB-CE2 3.77Å; R295-F297 HydrophobicContact CB-CZ 4.14Å; F297-F313 HydrophobicContact CE1-CZ 4.44Å; F297-F313 HydrophobicContact CZ-CZ 4.29Å
298T95.5Very high94.8Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-135145.7-176.7-170.10000112.3Y7 K8 D284 V300 R303 M304Y7-T298 CarbonylContact C-O 3.56Å; Y7-T298 WeakPolarHBondContact CA-O 3.4Å; K8-T298 PolarHBondContact N-O 2.56Å; K8-T298 PolarHBondContact O-N 2.78Å; D284-T298 WeakPolarHBondContact OD1-CA 3.48Å; D284-T298 WeakPolarHBondContact OD1-CB 3.32Å; D284-T298 PolarHBondContact OD1-OG1 3.49Å; T298-V300 PolarHBondContact OG1-N 2.73Å; T298-V300 VanDerWaalsContact OG1-N 3.17Å; T298-R303 HydrophobicContact CG2-CB 3.82Å; T298-M304 HydrophobicContact CG2-CG 3.85Å
299E94.1Very high94.5Very high61 Ų6147.9 Ų47.929%0.28525%0.253SS..SBendtrans-93.25.216962173.2-15200112.9N5 Y7 K259N5-E299 HydrophobicContact CB-CB 4.12Å; N5-E299 PolarHBondContact ND2-O 2.93Å; Y7-E299 HydrophobicContact CD1-CB 4.3Å; Y7-E299 HydrophobicContact CD2-CB 4.25Å; Y7-E299 HydrophobicContact CE1-CB 4.17Å; Y7-E299 HydrophobicContact CE1-CG 4.14Å; Y7-E299 HydrophobicContact CE2-CB 4.12Å; Y7-E299 HydrophobicContact CE2-CG 4.27Å; Y7-E299 WeakPolarHBondContact CE2-OE2 3.17Å; Y7-E299 HydrophobicContact CG-CB 4.34Å; K259-E299 IonicContact NZ-OE2 3.48Å; K259-E299 PolarHBondContact NZ-OE2 3.2Å
300V92.7Very high94.3Very high52 Ų5249.9 Ų49.932%0.31526%0.264SS..  trans-103.5115.3-179.4178.50000110.4T298 D302 R303 M304T298-V300 PolarHBondContact OG1-N 2.73Å; T298-V300 VanDerWaalsContact OG1-N 3.17Å; V300-D302 VanDerWaalsContact C-N 3.3Å; V300-D302 HydrophobicContact CG1-CB 4.26Å; V300-D302 PolarHBondContact O-N 2.89Å; V300-R303 HydrophobicContact CG1-CG 4.41Å; V300-R303 PolarHBondContact O-N 2.91Å; V300-M304 PolarHBondContact O-N 2.8Å
301E90.5Very high94.2Very high147 Ų14753.7 Ų53.769%0.68728%0.279SS*.G310 helixtrans-51.4-45.5-176.5-62.3-175.216200112.9R303 M304E301-R303 PolarHBondContact O-N 2.87Å; E301-M304 HydrophobicContact CG-CE 4.3Å; E301-M304 WeakPolarHBondContact O-CB 3.2Å; E301-M304 PolarHBondContact O-N 3.42Å
302D89.4Confident94.2Very high127 Ų12753.6 Ų53.668%0.67929%0.286SS*.G310 helixtrans-62-12.2178-77-3.8000114.9R53 V300R53-D302 PolarHBondContact NH1-O 3.22Å; V300-D302 VanDerWaalsContact C-N 3.3Å; V300-D302 HydrophobicContact CG1-CB 4.26Å; V300-D302 PolarHBondContact O-N 2.89Å
303R90.9Very high94.1Very high61 Ų6154.6 Ų54.623%0.2329%0.29CS..G310 helixtrans-111-1.8176.6-65.1-159.1-62-89.38.2113.1S10 N282 D284 T298 V300 E301S10-R303 WeakPolarHBondContact CA-O 3.33Å; S10-R303 VanDerWaalsContact CB-O 3.26Å; S10-R303 WeakPolarHBondContact CB-O 3.16Å; S10-R303 PolarHBondContact OG-O 2.94Å; N282-R303 PolarHBondContact O-NH2 3.2Å; N282-R303 VanDerWaalsContact O-NH2 3.09Å; D284-R303 VanDerWaalsContact CG-NH2 3.33Å; D284-R303 IonicContact OD1-CZ 3.35Å; D284-R303 IonicContact OD1-NE 2.67Å; D284-R303 PolarHBondContact OD1-NE 3.5Å; D284-R303 IonicContact OD1-NH2 2.68Å; D284-R303 PolarHBondContact OD1-NH2 2.81Å; D284-R303 IonicContact OD2-CZ 2.76Å; D284-R303 IonicContact OD2-NE 2.78Å; D284-R303 PolarHBondContact OD2-NE 2.93Å; D284-R303 IonicContact OD2-NH2 2.7Å; D284-R303 PolarHBondContact OD2-NH2 2.82Å; T298-R303 HydrophobicContact CG2-CB 3.82Å; V300-R303 HydrophobicContact CG1-CG 4.41Å; V300-R303 PolarHBondContact O-N 2.91Å; E301-R303 PolarHBondContact O-N 2.87Å
304M92.8Very high93.9Very high51 Ų5155.2 Ų55.225%0.25129%0.292SS..SBendtrans-67148.4177.6-64.2-177.1-178.400110.5K8 T298 V300 E301K8-M304 HydrophobicContact CB-CE 4.17Å; K8-M304 HydrophobicContact CB-CG 4.19Å; K8-M304 HydrophobicContact CB-SD 3.91Å; K8-M304 HydrophobicContact CD-CE 4.39Å; K8-M304 HydrophobicContact CD-SD 3.99Å; K8-M304 HydrophobicContact CG-CE 4.17Å; K8-M304 HydrophobicContact CG-SD 4.16Å; T298-M304 HydrophobicContact CG2-CG 3.85Å; V300-M304 PolarHBondContact O-N 2.8Å; E301-M304 HydrophobicContact CG-CE 4.3Å; E301-M304 WeakPolarHBondContact O-CB 3.2Å; E301-M304 PolarHBondContact O-N 3.42Å
305A92.8Very high93.6Very high12 Ų1258.2 Ų58.210%0.09931%0.308CS..PPolyproline II helixtrans-61.1162.2175.800000110.9L9 S10 D309 L310L9-A305 HydrophobicContact CG-CB 4.45Å; L9-A305 VanDerWaalsContact O-CB 3.27Å; L9-A305 WeakPolarHBondContact O-CB 3.48Å; L9-A305 PolarHBondContact O-N 2.78Å; S10-A305 WeakPolarHBondContact O-CA 3.36Å; S10-A305 VanDerWaalsContact O-CB 3.3Å; S10-A305 WeakPolarHBondContact O-CB 3.38Å; A305-D309 HydrophobicContact CB-CB 3.88Å; A305-L310 HydrophobicContact CB-CD2 4.33Å; A305-L310 HydrophobicContact CB-CG 4.25Å
306S92.4Very high93.4Very high43 Ų4361.8 Ų61.830%0.30133%0.325SS..PPolyproline II helixtrans-60.7154.4178.179.10000111Q308 D309 L310S306-Q308 PolarHBondContact O-N 3.29Å; S306-Q308 VanDerWaalsContact O-N 3.08Å; S306-Q308 PolarHBondContact OG-N 3.13Å; S306-Q308 PolarHBondContact OG-OE1 3.3Å; S306-D309 WeakPolarHBondContact CB-OD2 3.49Å; S306-D309 PolarHBondContact N-OD2 3.23Å; S306-D309 PolarHBondContact O-N 2.92Å; S306-D309 PolarHBondContact OG-N 2.79Å; S306-D309 VanDerWaalsContact OG-N 3.15Å; S306-D309 PolarHBondContact OG-OD2 3.36Å; S306-L310 WeakPolarHBondContact O-CG 3.14Å; S306-L310 PolarHBondContact O-N 2.71Å
307P93.1Very high93Very high100 Ų10062.3 Ų62.365%0.64933%0.327SS*.Hα-helixtrans-54.1-29.7173.9-27.435.6000113.3Q311P307-Q311 WeakPolarHBondContact O-CB 3.28Å; P307-Q311 PolarHBondContact O-N 2.77Å
308Q93.8Very high92.5Very high137 Ų13763.4 Ų63.464%0.6434%0.336SS*.Hα-helixtrans-68.2-44.1174.8-65.378.60.900112S306 Q311 A312S306-Q308 PolarHBondContact O-N 3.29Å; S306-Q308 VanDerWaalsContact O-N 3.08Å; S306-Q308 PolarHBondContact OG-N 3.13Å; S306-Q308 PolarHBondContact OG-OE1 3.3Å; Q308-Q311 PolarHBondContact O-N 3.49Å; Q308-A312 WeakPolarHBondContact O-CB 3.37Å; Q308-A312 PolarHBondContact O-N 2.9Å
309D92.5Very high92Very high88 Ų8870.2 Ų70.247%0.47137%0.365SS..Hα-helixtrans-72.7-36.7179.4-58.5-50.5000111.9A305 S306 A312 F313A305-D309 HydrophobicContact CB-CB 3.88Å; S306-D309 WeakPolarHBondContact CB-OD2 3.49Å; S306-D309 PolarHBondContact N-OD2 3.23Å; S306-D309 PolarHBondContact O-N 2.92Å; S306-D309 PolarHBondContact OG-N 2.79Å; S306-D309 VanDerWaalsContact OG-N 3.15Å; S306-D309 PolarHBondContact OG-OD2 3.36Å; D309-A312 PolarHBondContact O-N 3.49Å; D309-F313 PolarHBondContact O-N 3.17Å
310L93.8Very high91.3Very high42 Ų4268.3 Ų68.322%0.2236%0.358CS..Hα-helixtrans-60.9-46.8171.6-69.9171.6000111K8 L9 A305 S306 F313 E314K8-L310 HydrophobicContact CB-CD2 4.35Å; L9-L310 HydrophobicContact CB-CD2 3.95Å; A305-L310 HydrophobicContact CB-CD2 4.33Å; A305-L310 HydrophobicContact CB-CG 4.25Å; S306-L310 WeakPolarHBondContact O-CG 3.14Å; S306-L310 PolarHBondContact O-N 2.71Å; L310-F313 PolarHBondContact O-N 2.93Å; L310-E314 PolarHBondContact O-N 2.92Å; L310-E314 VanDerWaalsContact O-N 3.1Å
311Q94.1Very high90.1Very high103 Ų10370.4 Ų70.448%0.48137%0.371SS..Hα-helixtrans-63.8-40.8174.5-173.861.758.500111.4P307 Q308 F313 E314 D315P307-Q311 WeakPolarHBondContact O-CB 3.28Å; P307-Q311 PolarHBondContact O-N 2.77Å; Q308-Q311 PolarHBondContact O-N 3.49Å; Q311-F313 VanDerWaalsContact C-N 3.29Å; Q311-F313 PolarHBondContact O-N 3.06Å; Q311-E314 PolarHBondContact O-N 3.26Å; Q311-D315 PolarHBondContact NE2-OD1 2.76Å; Q311-D315 WeakPolarHBondContact O-CB 3.3Å; Q311-D315 PolarHBondContact O-N 3.43Å
312A94.4Very high89Confident55 Ų5563.6 Ų63.646%0.45534%0.339SS..Hα-helixtrans-60.7-37177.300000112.5Q308 D309 D315 E316Q308-A312 WeakPolarHBondContact O-CB 3.37Å; Q308-A312 PolarHBondContact O-N 2.9Å; D309-A312 PolarHBondContact O-N 3.49Å; A312-D315 WeakPolarHBondContact O-CB 3.22Å; A312-D315 PolarHBondContact O-N 3.28Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 PolarHBondContact O-N 2.93Å
313F94.4Very high87.4Confident22 Ų2261.3 Ų61.310%0.09633%0.327CS..Hα-helixtrans-68.7-43.2174.5177.3-102.6000112.7L9 L269 P270 F297 D309 L310 Q311 D315 E316 L317L9-F313 HydrophobicContact CD2-CB 3.88Å; L9-F313 HydrophobicContact CD2-CD2 4.19Å; L9-F313 HydrophobicContact CD2-CG 4.03Å; L269-F313 HydrophobicContact CG-CZ 4.49Å; P270-F313 VanDerWaalsContact CD-CE2 3.48Å; P270-F313 HydrophobicContact CG-CD2 4.43Å; P270-F313 HydrophobicContact CG-CE2 4.11Å; F297-F313 HydrophobicContact CE1-CZ 4.44Å; F297-F313 HydrophobicContact CZ-CZ 4.29Å; D309-F313 PolarHBondContact O-N 3.17Å; L310-F313 PolarHBondContact O-N 2.93Å; Q311-F313 VanDerWaalsContact C-N 3.29Å; Q311-F313 PolarHBondContact O-N 3.06Å; F313-D315 VanDerWaalsContact C-N 3.31Å; F313-D315 PolarHBondContact O-N 2.99Å; F313-E316 PolarHBondContact O-N 3Å; F313-L317 WeakPolarHBondContact O-CB 3.44Å; F313-L317 PolarHBondContact O-N 3.38Å
314E93.4Very high85.5Confident56 Ų5659.3 Ų59.326%0.26232%0.322SS..Hα-helixtrans-63.3-38.8172.3-72.1-172.2-145.700111.9L310 Q311 L317 S318 R373L310-E314 PolarHBondContact O-N 2.92Å; L310-E314 VanDerWaalsContact O-N 3.1Å; Q311-E314 PolarHBondContact O-N 3.26Å; E314-L317 PolarHBondContact O-N 3.16Å; E314-S318 VanDerWaalsContact O-CB 3.28Å; E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 2.88Å; E314-S318 PolarHBondContact O-OG 2.64Å; E314-S318 VanDerWaalsContact O-OG 3.08Å; E314-R373 VanDerWaalsContact CD-NH2 3.27Å; E314-R373 IonicContact OE1-CZ 2.89Å; E314-R373 IonicContact OE1-NH1 2.67Å; E314-R373 IonicContact OE1-NH2 2.94Å; E314-R373 PolarHBondContact OE1-NH2 3.42Å; E314-R373 IonicContact OE2-CZ 2.74Å; E314-R373 IonicContact OE2-NH1 2.73Å; E314-R373 PolarHBondContact OE2-NH1 3.36Å; E314-R373 IonicContact OE2-NH2 3.74Å; E314-R373 PolarHBondContact OE2-NH2 3.05Å; E314-R373 VanDerWaalsContact OE2-NH2 3.13Å
315D92.4Very high83.3Confident63 Ų6365 Ų6534%0.33735%0.345SS..Hα-helixtrans-64.2-37.3174.4-98.345.2000112.8Q311 A312 F313 S318 K319Q311-D315 PolarHBondContact NE2-OD1 2.76Å; Q311-D315 WeakPolarHBondContact O-CB 3.3Å; Q311-D315 PolarHBondContact O-N 3.43Å; A312-D315 WeakPolarHBondContact O-CB 3.22Å; A312-D315 PolarHBondContact O-N 3.28Å; F313-D315 VanDerWaalsContact C-N 3.31Å; F313-D315 PolarHBondContact O-N 2.99Å; D315-S318 PolarHBondContact O-OG 2.98Å; D315-S318 VanDerWaalsContact O-OG 3.12Å; D315-K319 WeakPolarHBondContact O-CD 3.29Å; D315-K319 WeakPolarHBondContact O-CE 3.08Å; D315-K319 WeakPolarHBondContact O-CG 3.47Å; D315-K319 PolarHBondContact O-NZ 3.39Å; D315-K319 VanDerWaalsContact O-NZ 3.12Å; D315-K319 IonicContact OD2-NZ 3.63Å; D315-K319 PolarHBondContact OD2-NZ 2.96Å
316E92.1Very high81.1Confident76 Ų7667.3 Ų67.336%0.35536%0.358SS..Hα-helixtrans-67.4-50174.4-166.1-170.2176.200109.8P270 R295 A312 F313 S318 K319 T320P270-E316 HydrophobicContact CB-CB 4.28Å; P270-E316 HydrophobicContact CB-CG 3.73Å; P270-E316 HydrophobicContact CG-CB 4.23Å; P270-E316 HydrophobicContact CG-CG 3.78Å; P270-E316 VanDerWaalsContact CG-OE2 3.29Å; P270-E316 WeakPolarHBondContact CG-OE2 3.45Å; R295-E316 IonicContact NH2-OE1 3.81Å; R295-E316 PolarHBondContact NH2-OE1 2.91Å; R295-E316 IonicContact NH2-OE2 3.95Å; R295-E316 PolarHBondContact NH2-OE2 2.91Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 PolarHBondContact O-N 2.93Å; F313-E316 PolarHBondContact O-N 3Å; E316-S318 PolarHBondContact O-N 2.7Å; E316-K319 PolarHBondContact O-N 2.96Å; E316-T320 PolarHBondContact O-N 3.36Å
317L90.2Very high78.8Confident10 Ų1067.4 Ų67.45%0.05237%0.366CS..Hα-helixtrans-60.3-45.4-179.9-178.862.4000112.7R268 F313 E314 K319 T320 I377R268-L317 HydrophobicContact CB-CD1 4.38Å; R268-L317 HydrophobicContact CG-CD1 4.04Å; F313-L317 WeakPolarHBondContact O-CB 3.44Å; F313-L317 PolarHBondContact O-N 3.38Å; E314-L317 PolarHBondContact O-N 3.16Å; L317-K319 PolarHBondContact O-N 3.41Å; L317-T320 WeakPolarHBondContact O-CB 3.41Å; L317-T320 WeakPolarHBondContact O-CG2 3.43Å; L317-T320 PolarHBondContact O-N 3.37Å; L317-T320 PolarHBondContact O-OG1 3.28Å; L317-I377 HydrophobicContact CD2-CG2 4.1Å; L317-I377 HydrophobicContact CG-CG2 4.48Å; L317-I377 CarbonylContact O-C 3.56Å
318S86.8Confident76.3Confident26 Ų2664.8 Ų64.818%0.18235%0.346CS..Hα-helixtrans-64.8-20.2179.865.50000114.3E314 D315 E316 K376E314-S318 VanDerWaalsContact O-CB 3.28Å; E314-S318 WeakPolarHBondContact O-CB 3.47Å; E314-S318 PolarHBondContact O-N 2.88Å; E314-S318 PolarHBondContact O-OG 2.64Å; E314-S318 VanDerWaalsContact O-OG 3.08Å; D315-S318 PolarHBondContact O-OG 2.98Å; D315-S318 VanDerWaalsContact O-OG 3.12Å; E316-S318 PolarHBondContact O-N 2.7Å; S318-K376 WeakPolarHBondContact O-CE 3.32Å
319K85.4Confident74Confident142 Ų14259.9 Ų59.962%0.61732%0.324SS*.THydrogen-bonded Turntrans-89.7-8.2176-67.6164.1-163.8139.70113D315 E316 L317D315-K319 WeakPolarHBondContact O-CD 3.29Å; D315-K319 WeakPolarHBondContact O-CE 3.08Å; D315-K319 WeakPolarHBondContact O-CG 3.47Å; D315-K319 PolarHBondContact O-NZ 3.39Å; D315-K319 VanDerWaalsContact O-NZ 3.12Å; D315-K319 IonicContact OD2-NZ 3.63Å; D315-K319 PolarHBondContact OD2-NZ 2.96Å; E316-K319 PolarHBondContact O-N 2.96Å; L317-K319 PolarHBondContact O-N 3.41Å
320T79.8Confident71.8Confident22 Ų2258.2 Ų58.214%0.13533%0.328CS..  trans-65.9141.3-179.765.80000110.9R253 P270 E316 L317 I377 G378 D379R253-T320 PolarHBondContact NH1-OG1 3.14Å; P270-T320 HydrophobicContact CB-CG2 3.66Å; E316-T320 PolarHBondContact O-N 3.36Å; L317-T320 WeakPolarHBondContact O-CB 3.41Å; L317-T320 WeakPolarHBondContact O-CG2 3.43Å; L317-T320 PolarHBondContact O-N 3.37Å; L317-T320 PolarHBondContact O-OG1 3.28Å; T320-I377 PolarHBondContact OG1-O 2.92Å; T320-I377 VanDerWaalsContact OG1-O 3.07Å; T320-G378 CarbonylContact O-C 3.58Å; T320-G378 WeakPolarHBondContact O-CA 3.33Å; T320-D379 PolarHBondContact O-N 3.11Å
321T68.1Low69.6Low96 Ų9661.8 Ų61.859%0.58935%0.348SS*.EExtended strand (participates in β ladder)trans-84.2132.1170.3-70.10000109.4D379 V381T321-D379 WeakPolarHBondContact CA-O 3.33Å; T321-V381 HydrophobicContact CG2-CB 4.13Å; T321-V381 HydrophobicContact CG2-CG2 3.56Å
322I65.9Low67.8Low4 Ų458.8 Ų58.82%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-106.8121172.2-45.5-171.7000108.3R253 L329 A364 I377 D379 V380 V381R253-I322 VanDerWaalsContact NH2-CD1 3.34Å; R253-I322 VanDerWaalsContact NH2-CG1 3.34Å; I322-L329 HydrophobicContact CG2-CD1 4.04Å; I322-A364 HydrophobicContact CD1-CB 3.42Å; I322-A364 VanDerWaalsContact CD1-CB 3.42Å; I322-I377 HydrophobicContact CD1-CD1 4.29Å; I322-I377 HydrophobicContact CD1-CG1 4.33Å; I322-D379 PolarHBondContact N-O 2.94Å; I322-V380 HydrophobicContact CB-CG2 4.16Å; I322-V380 HydrophobicContact CD1-CG2 4.5Å; I322-V381 PolarHBondContact O-N 3.07Å
323D57.4Low66.3Low79 Ų7963 Ų6342%0.42234%0.343SS..  trans-73.6124.7168.2-176.9-25.4000108.1K325 T326D323-K325 PolarHBondContact O-N 3.27Å; D323-K325 VanDerWaalsContact OD1-CB 3.29Å; D323-K325 WeakPolarHBondContact OD1-CB 3.2Å; D323-K325 WeakPolarHBondContact OD1-CG 3.46Å; D323-K325 PolarHBondContact OD1-N 3.38Å; D323-T326 HydrophobicContact CB-CG2 4.1Å; D323-T326 PolarHBondContact O-N 3.27Å; D323-T326 PolarHBondContact O-OG1 2.65Å
324P50.2Low64.7Low18 Ų1865.9 Ų65.912%0.11736%0.357CS..THydrogen-bonded Turntrans-55.6-20.9177.123.9-35.7000114.4T326 I332 V380 V381P324-T326 VanDerWaalsContact C-N 3.31Å; P324-I332 HydrophobicContact CB-CD1 3.57Å; P324-I332 HydrophobicContact CB-CG1 4.12Å; P324-V380 HydrophobicContact CB-CG1 4.33Å; P324-V381 WeakPolarHBondContact CD-O 3.08Å
325K46.6Very low63.3Low172 Ų17271.8 Ų71.875%0.74839%0.385SS*.THydrogen-bonded Turntrans-76.2-12.8174.6-60.5177.6-179.71790113.9D323 G327D323-K325 PolarHBondContact O-N 3.27Å; D323-K325 VanDerWaalsContact OD1-CB 3.29Å; D323-K325 WeakPolarHBondContact OD1-CB 3.2Å; D323-K325 WeakPolarHBondContact OD1-CG 3.46Å; D323-K325 PolarHBondContact OD1-N 3.38Å; K325-G327 PolarHBondContact O-N 2.67Å; K325-G327 VanDerWaalsContact O-N 3.14Å
326T46.6Very low62.4Low59 Ų5974.3 Ų74.336%0.36240%0.398SS..SBendtrans-82.290-179.454.30000112.3D323 P324 D328D323-T326 HydrophobicContact CB-CG2 4.1Å; D323-T326 PolarHBondContact O-N 3.27Å; D323-T326 PolarHBondContact O-OG1 2.65Å; P324-T326 VanDerWaalsContact C-N 3.31Å; T326-D328 PolarHBondContact O-N 3.1Å
327G43.3Very low61.7Low46 Ų4672.1 Ų72.147%0.47439%0.389SS..SBendtrans69.7-41.8155.100000119K325K325-G327 PolarHBondContact O-N 2.67Å; K325-G327 VanDerWaalsContact O-N 3.14Å
328D42.3Very low61.3Low44 Ų4473.7 Ų73.724%0.23540%0.399CS..SBendtrans-103.7-23.9-164.2-74.6-21.5000114.7T231 R268 T326T231-D328 WeakPolarHBondContact CB-OD1 3.3Å; T231-D328 VanDerWaalsContact CG2-OD1 3.23Å; T231-D328 WeakPolarHBondContact CG2-OD1 3.48Å; T231-D328 PolarHBondContact OG1-OD1 3.14Å; R268-D328 IonicContact CZ-OD2 3.27Å; R268-D328 IonicContact NH1-OD2 3.46Å; R268-D328 PolarHBondContact NH1-OD2 3.1Å; R268-D328 IonicContact NH2-OD2 3.63Å; R268-D328 PolarHBondContact NH2-OD2 3.01Å; T326-D328 PolarHBondContact O-N 3.1Å
329L44.8Very low61.2Low34 Ų3474 Ų7418%0.17841%0.407CS..  trans-120.4-23.6-153.4-54.7179.4000116.3I322 I332 L355 V380I322-L329 HydrophobicContact CG2-CD1 4.04Å; L329-I332 HydrophobicContact CB-CD1 3.96Å; L329-I332 HydrophobicContact CB-CG1 4.11Å; L329-I332 HydrophobicContact CD1-CD1 4.1Å; L329-L355 HydrophobicContact CB-CD1 4.36Å; L329-L355 HydrophobicContact CD1-CD1 4.39Å; L329-L355 HydrophobicContact CD1-CD2 3.86Å; L329-L355 HydrophobicContact CD2-CD1 3.89Å; L329-L355 HydrophobicContact CD2-CD2 3.74Å; L329-L355 HydrophobicContact CD2-CG 3.79Å; L329-L355 HydrophobicContact CG-CD1 4.42Å; L329-L355 HydrophobicContact CG-CD2 4.4Å; L329-V380 HydrophobicContact CD1-CG1 4.31Å; L329-V380 HydrophobicContact CD1-CG2 4.13Å
330G47.2Very low61.3Low54 Ų5473.2 Ų73.256%0.55740%0.4SS*.  trans59.4-152.4178.700000114.5I332G330-I332 PolarHBondContact O-N 3.35Å
331D46.7Very low61.7Low117 Ų11778.2 Ų78.263%0.62643%0.426SS*.SBendtrans-75.191.2175.6-82.3-55.8000111.7K333 K390D331-K333 PolarHBondContact O-N 3.3Å; D331-K333 VanDerWaalsContact O-N 3.07Å; D331-K390 VanDerWaalsContact OD1-CE 3.26Å; D331-K390 WeakPolarHBondContact OD1-CE 3.39Å; D331-K390 IonicContact OD1-NZ 3.47Å; D331-K390 PolarHBondContact OD1-NZ 3Å; D331-K390 VanDerWaalsContact OD2-CE 3.31Å; D331-K390 WeakPolarHBondContact OD2-CE 3.23Å; D331-K390 IonicContact OD2-NZ 3.72Å; D331-K390 PolarHBondContact OD2-NZ 3.11Å
332I56.9Low62.6Low39 Ų3977.4 Ų77.420%0.242%0.415CS..  trans-69.9104.2178.4-53.2176.9000110.8P324 L329 G330 M334 L337 L355 V380P324-I332 HydrophobicContact CB-CD1 3.57Å; P324-I332 HydrophobicContact CB-CG1 4.12Å; L329-I332 HydrophobicContact CB-CD1 3.96Å; L329-I332 HydrophobicContact CB-CG1 4.11Å; L329-I332 HydrophobicContact CD1-CD1 4.1Å; G330-I332 PolarHBondContact O-N 3.35Å; I332-M334 PolarHBondContact O-N 3.34Å; I332-L337 HydrophobicContact CG2-CD1 3.64Å; I332-L337 HydrophobicContact CG2-CD2 4.13Å; I332-L337 HydrophobicContact CG2-CG 4.04Å; I332-L355 HydrophobicContact CD1-CD1 3.56Å; I332-L355 HydrophobicContact CG1-CD1 3.83Å; I332-L355 HydrophobicContact CG2-CD1 4.13Å; I332-V380 HydrophobicContact CD1-CG1 3.65Å
333K62.8Low63.7Low145 Ų14578.5 Ų78.563%0.6342%0.421SS*.  trans-75.2100.7161.6-70.4-178.5177.4-177.30109.5D331 E335 D336D331-K333 PolarHBondContact O-N 3.3Å; D331-K333 VanDerWaalsContact O-N 3.07Å; K333-E335 PolarHBondContact O-N 3.01Å; K333-D336 HydrophobicContact CB-CB 4.28Å; K333-D336 WeakPolarHBondContact CB-OD2 3.4Å; K333-D336 WeakPolarHBondContact CD-OD2 3.43Å; K333-D336 IonicContact NZ-OD2 3.71Å; K333-D336 PolarHBondContact O-N 2.83Å
334M60.1Low65.1Low82 Ų8281.4 Ų81.440%0.40444%0.437SS..THydrogen-bonded Turntrans-58.8-17.5179.3-67.1-174.5172.100114.4I332 K357 V362 G382I332-M334 PolarHBondContact O-N 3.34Å; M334-K357 WeakPolarHBondContact O-CD 3.26Å; M334-K357 WeakPolarHBondContact O-CE 3.31Å; M334-K357 PolarHBondContact O-NZ 3.44Å; M334-V362 HydrophobicContact CE-CG2 4.42Å; M334-V362 HydrophobicContact CG-CG2 4.27Å; M334-G382 VanDerWaalsContact CE-CA 3.41Å
335E64.9Low67Low179 Ų17985.1 Ų85.184%0.83645%0.453SS*.THydrogen-bonded Turntrans-76.7-32.1177.5-67.1173.9-134.800112.5K333K333-E335 PolarHBondContact O-N 3.01Å
336D71.8Confident69.1Low116 Ų11681.3 Ų81.362%0.6245%0.446SS*.SBendtrans-92.81.1-174.9-60.6-33.3000113.2K333K333-D336 HydrophobicContact CB-CB 4.28Å; K333-D336 WeakPolarHBondContact CB-OD2 3.4Å; K333-D336 WeakPolarHBondContact CD-OD2 3.43Å; K333-D336 IonicContact NZ-OD2 3.71Å; K333-D336 PolarHBondContact O-N 2.83Å
337L77.1Confident70.9Confident31 Ų3179.2 Ų79.216%0.16244%0.435CS..  trans-77.7136.9-175.1-75.8-176.9000113.2I332 L355 K357 V362I332-L337 HydrophobicContact CG2-CD1 3.64Å; I332-L337 HydrophobicContact CG2-CD2 4.13Å; I332-L337 HydrophobicContact CG2-CG 4.04Å; L337-L355 HydrophobicContact CD1-CB 4.41Å; L337-L355 HydrophobicContact CD2-CB 3.67Å; L337-L355 HydrophobicContact CD2-CD1 3.98Å; L337-K357 HydrophobicContact CB-CB 3.96Å; L337-V362 HydrophobicContact CD1-CB 4.15Å; L337-V362 HydrophobicContact CD1-CG1 3.56Å; L337-V362 HydrophobicContact CD1-CG2 3.44Å; L337-V362 VanDerWaalsContact CD1-CG2 3.44Å
338P82.4Confident72.9Confident42 Ų4283.4 Ų83.427%0.27345%0.447SS..  trans-66.8151.117925.3-31.7000113.2H342 L355 I356 K357P338-H342 HydrophobicContact CB-CB 3.96Å; P338-H342 WeakPolarHBondContact CB-CD2 3.39Å; P338-L355 WeakPolarHBondContact CD-O 3.42Å; P338-L355 VanDerWaalsContact CG-O 3.3Å; P338-L355 WeakPolarHBondContact CG-O 3.18Å; P338-I356 HydrophobicContact CG-CD1 4.43Å; P338-K357 PolarHBondContact O-N 3.14Å
339G85.4Confident74.9Confident33 Ų3389.7 Ų89.734%0.3447%0.467SS..  trans-77.2174.9170.200000113.1D341 H342G339-D341 PolarHBondContact O-N 3.25Å; G339-D341 VanDerWaalsContact O-N 3.15Å; G339-H342 PolarHBondContact O-N 3.35Å
340R88.1Confident76.9Confident125 Ų12589.4 Ų89.447%0.47247%0.465SS..G310 helixtrans-56.3-31.6-174.4-165.7-179.6-172.2112.78.1114.3H342 L343 I356 E358R340-H342 PolarHBondContact O-N 2.96Å; R340-L343 HydrophobicContact CG-CD1 4.25Å; R340-L343 WeakPolarHBondContact O-CB 3.08Å; R340-L343 WeakPolarHBondContact O-CG 3.5Å; R340-L343 PolarHBondContact O-N 3.15Å; R340-I356 HydrophobicContact CB-CG2 4.26Å; R340-E358 WeakPolarHBondContact CD-OE1 3.47Å; R340-E358 IonicContact CZ-OE1 3.97Å; R340-E358 IonicContact NH1-OE1 2.67Å; R340-E358 PolarHBondContact NH1-OE1 3.34Å; R340-E358 IonicContact NH1-OE2 3.94Å; R340-E358 PolarHBondContact NH1-OE2 3.31Å
341D87.8Confident78.5Confident128 Ų12887.3 Ų87.368%0.68444%0.444SS*.G310 helixtrans-55.7-25.4179.8-47.3-15.1000112.8G339 L343 D344G339-D341 PolarHBondContact O-N 3.25Å; G339-D341 VanDerWaalsContact O-N 3.15Å; D341-L343 PolarHBondContact O-N 3.14Å; D341-L343 VanDerWaalsContact O-N 3.15Å; D341-D344 WeakPolarHBondContact O-CB 3.42Å; D341-D344 PolarHBondContact O-N 3.41Å
342H85.5Confident80.2Confident78 Ų7883.4 Ų83.436%0.36142%0.422SS..G310 helixtrans-70.3-2.2173-75.9-89.8000114.4P338 G339 R340 E345 R354 I356P338-H342 HydrophobicContact CB-CB 3.96Å; P338-H342 WeakPolarHBondContact CB-CD2 3.39Å; G339-H342 PolarHBondContact O-N 3.35Å; R340-H342 PolarHBondContact O-N 2.96Å; H342-E345 IonicContact ND1-OE1 3.17Å; H342-E345 IonicContact ND1-OE2 3.93Å; H342-R354 PolarHBondContact O-NH1 2.9Å; H342-I356 HydrophobicContact CB-CD1 4.22Å
343L88.8Confident81.4Confident28 Ų2883.7 Ų83.715%0.14743%0.426CS..G310 helixtrans-84.8-12.8167.5-60.5179.6000112.6R340 D341 E345 I356 Y365 W374R340-L343 HydrophobicContact CG-CD1 4.25Å; R340-L343 WeakPolarHBondContact O-CB 3.08Å; R340-L343 WeakPolarHBondContact O-CG 3.5Å; R340-L343 PolarHBondContact O-N 3.15Å; D341-L343 PolarHBondContact O-N 3.14Å; D341-L343 VanDerWaalsContact O-N 3.15Å; L343-E345 VanDerWaalsContact C-N 3.29Å; L343-I356 HydrophobicContact CD1-CG1 4.14Å; L343-I356 HydrophobicContact CD2-CD1 3.79Å; L343-I356 HydrophobicContact CD2-CG1 3.69Å; L343-I356 HydrophobicContact CG-CD1 3.9Å; L343-I356 HydrophobicContact CG-CG1 3.87Å; L343-Y365 HydrophobicContact CD1-CD1 3.91Å; L343-Y365 HydrophobicContact CD1-CD2 4.04Å; L343-Y365 HydrophobicContact CD1-CE1 3.64Å; L343-Y365 HydrophobicContact CD1-CE2 3.78Å; L343-Y365 HydrophobicContact CD1-CG 4.1Å; L343-Y365 HydrophobicContact CD2-CD1 4.15Å; L343-Y365 HydrophobicContact CD2-CD2 4.09Å; L343-Y365 HydrophobicContact CD2-CG 3.81Å; L343-W374 HydrophobicContact CB-CG 4.47Å; L343-W374 HydrophobicContact CD2-CB 3.85Å; L343-W374 HydrophobicContact CD2-CD2 3.96Å; L343-W374 HydrophobicContact CD2-CE3 4.46Å; L343-W374 HydrophobicContact CD2-CG 3.65Å
344D88.6Confident82.5Confident140 Ų14079.2 Ų79.275%0.74941%0.405SS*.SBendtrans-75.6-22.6174.2-62.4-28.5000111.8D341D341-D344 WeakPolarHBondContact O-CB 3.42Å; D341-D344 PolarHBondContact O-N 3.41Å
345E90.1Very high83.5Confident95 Ų9576.3 Ų76.344%0.44439%0.391SS..SBendtrans-76.2123.5169.8-68.4179.1178.700110.7H342 L343 R354 W374H342-E345 IonicContact ND1-OE1 3.17Å; H342-E345 IonicContact ND1-OE2 3.93Å; L343-E345 VanDerWaalsContact C-N 3.29Å; E345-R354 PolarHBondContact O-NH1 3.46Å; E345-R354 IonicContact OE2-CZ 3.41Å; E345-R354 IonicContact OE2-NH1 3.98Å; E345-R354 IonicContact OE2-NH2 2.84Å; E345-R354 PolarHBondContact OE2-NH2 3.41Å; E345-W374 PolarHBondContact O-NE1 3.32Å
346P89Confident84.5Confident93 Ų9367.9 Ų67.960%0.60435%0.351SS*.PPolyproline II helixtrans-65148.6175.727.8-34.7000111.9W367P346-W367 HydrophobicContact CB-CH2 3.49Å; P346-W367 VanDerWaalsContact CB-CH2 3.49Å; P346-W367 HydrophobicContact CB-CZ2 3.7Å; P346-W367 HydrophobicContact CB-CZ3 4.19Å
347G85.6Confident85Confident14 Ų1466 Ų6614%0.14434%0.338CS..PPolyproline II helixtrans-69.1156172.500000112.8W367G347-W367 PolarHBondContact O-NE1 2.86Å
348N84.9Confident85.2Confident135 Ų13568.4 Ų68.472%0.72235%0.348SS*.SBendtrans-97.9-12.4-175.669.54000114.4Q352N348-Q352 PolarHBondContact OD1-OE1 2.6Å; N348-Q352 VanDerWaalsContact OD1-OE1 3.08Å
349R83.5Confident85Confident175 Ų17569.1 Ų69.166%0.6636%0.363SS*.SBendtrans-153.3154.4176.167.2-175-179.6173.81.7111.2Q352R349-Q352 HydrophobicContact CG-CB 4Å; R349-Q352 VanDerWaalsContact O-CB 3.31Å; R349-Q352 WeakPolarHBondContact O-CB 3.39Å; R349-Q352 PolarHBondContact O-N 3.35Å
350E87Confident84.4Confident28 Ų2876.8 Ų76.813%0.13139%0.39CS..THydrogen-bonded Turntrans-56.9138.8175175.259.7-165.900111.7Q265 T266 Q352 V369Q265-E350 WeakPolarHBondContact CA-OE1 3.35Å; T266-E350 PolarHBondContact N-OE1 3.06Å; E350-Q352 PolarHBondContact O-N 3.04Å; E350-Q352 VanDerWaalsContact O-N 3.15Å; E350-V369 HydrophobicContact CB-CG2 3.93Å; E350-V369 PolarHBondContact OE2-N 3.33Å
351G81.5Confident83.8Confident11 Ų1176.3 Ų76.311%0.11339%0.392CS..THydrogen-bonded Turntrans70.24.9177.200000115.1T353 Q366 W367G351-T353 PolarHBondContact O-N 3.44Å; G351-Q366 PolarHBondContact O-NE2 2.8Å; G351-W367 PolarHBondContact N-O 3.3Å
352Q82.8Confident83.5Confident35 Ų3570.5 Ų70.516%0.16436%0.361CS..  trans-53.6132.5174.3-177.9-174.32.200110.3N348 R349 E350 Q366 W367 W374N348-Q352 PolarHBondContact OD1-OE1 2.6Å; N348-Q352 VanDerWaalsContact OD1-OE1 3.08Å; R349-Q352 HydrophobicContact CG-CB 4Å; R349-Q352 VanDerWaalsContact O-CB 3.31Å; R349-Q352 WeakPolarHBondContact O-CB 3.39Å; R349-Q352 PolarHBondContact O-N 3.35Å; E350-Q352 PolarHBondContact O-N 3.04Å; E350-Q352 VanDerWaalsContact O-N 3.15Å; Q352-Q366 CarbonylContact O-C 3.57Å; Q352-Q366 VanDerWaalsContact O-CA 3.31Å; Q352-Q366 WeakPolarHBondContact O-CA 3.49Å; Q352-W367 HydrophobicContact CB-CB 4.18Å; Q352-W367 PolarHBondContact O-N 3.45Å; Q352-W374 HydrophobicContact CB-CH2 4.32Å; Q352-W374 HydrophobicContact CG-CH2 4.01Å; Q352-W374 VanDerWaalsContact O-CZ3 3.28Å; Q352-W374 WeakPolarHBondContact O-CZ3 3.35Å
353T82.6Confident83.5Confident45 Ų4567.6 Ų67.628%0.27635%0.347SS..EExtended strand (participates in β ladder)trans-96.3147.4174.850.20000111.9G351 Y365 I377G351-T353 PolarHBondContact O-N 3.44Å; T353-Y365 CarbonylContact C-O 3.59Å; T353-Y365 VanDerWaalsContact CA-O 3.27Å; T353-Y365 WeakPolarHBondContact CA-O 3.39Å; T353-I377 HydrophobicContact CG2-CD1 4.17Å
354R84.3Confident83.2Confident50 Ų5066.4 Ų66.419%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-134146167.5-85.6-175.6173.3158.5-6.8109.8H342 E345 A364 Y365 W374H342-R354 PolarHBondContact O-NH1 2.9Å; E345-R354 PolarHBondContact O-NH1 3.46Å; E345-R354 IonicContact OE2-CZ 3.41Å; E345-R354 IonicContact OE2-NH1 3.98Å; E345-R354 IonicContact OE2-NH2 2.84Å; E345-R354 PolarHBondContact OE2-NH2 3.41Å; R354-A364 WeakPolarHBondContact O-CA 3.46Å; R354-Y365 PolarHBondContact N-O 2.86Å; R354-Y365 PolarHBondContact O-N 3.18Å; R354-W374 HydrophobicContact CB-CE3 4.29Å; R354-W374 HydrophobicContact CB-CH2 4.07Å; R354-W374 HydrophobicContact CB-CZ3 3.77Å; R354-W374 VanDerWaalsContact CD-CH2 3.45Å; R354-W374 VanDerWaalsContact CD-CZ2 3.47Å; R354-W374 HydrophobicContact CG-CH2 3.5Å; R354-W374 VanDerWaalsContact CG-CH2 3.5Å; R354-W374 HydrophobicContact CG-CZ2 4.08Å; R354-W374 HydrophobicContact CG-CZ3 3.76Å
355L82.3Confident83.1Confident22 Ų2260.4 Ų60.412%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-105.2128.1170.5-68.7-178.9000109.3L329 I332 L337 P338 V362 E363 A364 V380L329-L355 HydrophobicContact CB-CD1 4.36Å; L329-L355 HydrophobicContact CD1-CD1 4.39Å; L329-L355 HydrophobicContact CD1-CD2 3.86Å; L329-L355 HydrophobicContact CD2-CD1 3.89Å; L329-L355 HydrophobicContact CD2-CD2 3.74Å; L329-L355 HydrophobicContact CD2-CG 3.79Å; L329-L355 HydrophobicContact CG-CD1 4.42Å; L329-L355 HydrophobicContact CG-CD2 4.4Å; I332-L355 HydrophobicContact CD1-CD1 3.56Å; I332-L355 HydrophobicContact CG1-CD1 3.83Å; I332-L355 HydrophobicContact CG2-CD1 4.13Å; L337-L355 HydrophobicContact CD1-CB 4.41Å; L337-L355 HydrophobicContact CD2-CB 3.67Å; L337-L355 HydrophobicContact CD2-CD1 3.98Å; P338-L355 WeakPolarHBondContact CD-O 3.42Å; P338-L355 VanDerWaalsContact CG-O 3.3Å; P338-L355 WeakPolarHBondContact CG-O 3.18Å; L355-V362 HydrophobicContact CB-CG1 4.22Å; L355-V362 HydrophobicContact CD2-CG1 4.05Å; L355-E363 WeakPolarHBondContact CA-O 3.5Å; L355-A364 HydrophobicContact CD2-CB 4.01Å; L355-V380 HydrophobicContact CD2-CG2 3.73Å
356I84.8Confident83.1Confident1 Ų156 Ų561%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-119.4131.5-178-60.3-60.9000108.7P338 R340 H342 L343 V362 E363 Y365P338-I356 HydrophobicContact CG-CD1 4.43Å; R340-I356 HydrophobicContact CB-CG2 4.26Å; H342-I356 HydrophobicContact CB-CD1 4.22Å; L343-I356 HydrophobicContact CD1-CG1 4.14Å; L343-I356 HydrophobicContact CD2-CD1 3.79Å; L343-I356 HydrophobicContact CD2-CG1 3.69Å; L343-I356 HydrophobicContact CG-CD1 3.9Å; L343-I356 HydrophobicContact CG-CG1 3.87Å; I356-V362 CarbonylContact O-C 3.54Å; I356-V362 WeakPolarHBondContact O-CA 3.47Å; I356-E363 PolarHBondContact N-O 2.96Å; I356-E363 PolarHBondContact O-N 2.96Å; I356-Y365 HydrophobicContact CB-CD2 4.09Å; I356-Y365 HydrophobicContact CB-CE2 4.01Å; I356-Y365 HydrophobicContact CG1-CD2 3.64Å; I356-Y365 HydrophobicContact CG1-CE2 3.95Å
357K82.9Confident83.1Confident77 Ų7752.7 Ų52.734%0.33526%0.263SS..EExtended strand (participates in β ladder)trans-91.9114.4174.5-173.5-179.5-173171.60109.9M334 L337 P338M334-K357 WeakPolarHBondContact O-CD 3.26Å; M334-K357 WeakPolarHBondContact O-CE 3.31Å; M334-K357 PolarHBondContact O-NZ 3.44Å; L337-K357 HydrophobicContact CB-CB 3.96Å; P338-K357 PolarHBondContact O-N 3.14Å
358E81Confident83.3Confident81 Ų8152.1 Ų52.138%0.37926%0.257SS..EExtended strand (participates in β ladder)trans-115.593.8173.8-168.4152.5-111.900109.4R340 Q360 K361R340-E358 WeakPolarHBondContact CD-OE1 3.47Å; R340-E358 IonicContact CZ-OE1 3.97Å; R340-E358 IonicContact NH1-OE1 2.67Å; R340-E358 PolarHBondContact NH1-OE1 3.34Å; R340-E358 IonicContact NH1-OE2 3.94Å; R340-E358 PolarHBondContact NH1-OE2 3.31Å; E358-Q360 PolarHBondContact O-N 3.1Å; E358-Q360 VanDerWaalsContact O-N 3.16Å; E358-K361 PolarHBondContact N-O 3.01Å; E358-K361 PolarHBondContact O-N 2.87Å; E358-K361 VanDerWaalsContact O-N 3.08Å
359G78.4Confident83.4Confident58 Ų5849.2 Ų49.260%0.59824%0.244SC*.THydrogen-bonded Turntrans66.3-109.8-175.400000112.9
360Q72.2Confident83.5Confident194 Ų19443.1 Ų43.191%0.90723%0.231SC*.THydrogen-bonded Turntrans-100-0.8177.4-66.7-65.8-38.300112.9E358E358-Q360 PolarHBondContact O-N 3.1Å; E358-Q360 VanDerWaalsContact O-N 3.16Å
361K77.3Confident83.4Confident115 Ų11544.3 Ų44.350%0.524%0.239SC..EExtended strand (participates in β ladder)trans-101.4151.3176.3-71.3-170.5168.4-158.20111E358 D379E358-K361 PolarHBondContact N-O 3.01Å; E358-K361 PolarHBondContact O-N 2.87Å; E358-K361 VanDerWaalsContact O-N 3.08Å; K361-D379 IonicContact NZ-OD2 2.63Å; K361-D379 PolarHBondContact NZ-OD2 3.48Å
362V81Confident83.8Confident5 Ų548 Ų483%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-110.6128.1163.3178.60000107M334 L337 L355 I356 V380M334-V362 HydrophobicContact CE-CG2 4.42Å; M334-V362 HydrophobicContact CG-CG2 4.27Å; L337-V362 HydrophobicContact CD1-CB 4.15Å; L337-V362 HydrophobicContact CD1-CG1 3.56Å; L337-V362 HydrophobicContact CD1-CG2 3.44Å; L337-V362 VanDerWaalsContact CD1-CG2 3.44Å; L355-V362 HydrophobicContact CB-CG1 4.22Å; L355-V362 HydrophobicContact CD2-CG1 4.05Å; I356-V362 CarbonylContact O-C 3.54Å; I356-V362 WeakPolarHBondContact O-CA 3.47Å; V362-V380 HydrophobicContact CB-CB 4.03Å; V362-V380 HydrophobicContact CG1-CB 3.88Å; V362-V380 HydrophobicContact CG1-CG1 4.43Å; V362-V380 HydrophobicContact CG1-CG2 4.14Å; V362-V380 PolarHBondContact O-N 2.81Å
363E84.9Confident84.3Confident17 Ų1750.5 Ų50.58%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-113.9143.6177.7-56.7-160.315200109.3L355 I356 Y365 K376L355-E363 WeakPolarHBondContact CA-O 3.5Å; I356-E363 PolarHBondContact N-O 2.96Å; I356-E363 PolarHBondContact O-N 2.96Å; E363-Y365 HydrophobicContact CB-CD2 4.36Å; E363-Y365 HydrophobicContact CB-CE2 3.74Å; E363-Y365 PolarHBondContact OE2-OH 2.89Å; E363-K376 IonicContact OE1-NZ 3.7Å; E363-K376 PolarHBondContact OE1-NZ 3.42Å; E363-K376 WeakPolarHBondContact OE2-CD 3.41Å; E363-K376 WeakPolarHBondContact OE2-CE 3.49Å; E363-K376 IonicContact OE2-NZ 2.71Å; E363-K376 PolarHBondContact OE2-NZ 3.26Å
364A83.3Confident84.7Confident3 Ų349.6 Ų49.63%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-104.4138.5175.500000110.8I322 R354 L355 I377 G378 V380I322-A364 HydrophobicContact CD1-CB 3.42Å; I322-A364 VanDerWaalsContact CD1-CB 3.42Å; R354-A364 WeakPolarHBondContact O-CA 3.46Å; L355-A364 HydrophobicContact CD2-CB 4.01Å; A364-I377 HydrophobicContact CB-CD1 4.04Å; A364-I377 HydrophobicContact CB-CG1 3.76Å; A364-I377 VanDerWaalsContact O-CG1 3.25Å; A364-I377 WeakPolarHBondContact O-CG1 3.41Å; A364-I377 PolarHBondContact O-N 3.43Å; A364-G378 PolarHBondContact N-O 3.46Å; A364-V380 HydrophobicContact CB-CG2 3.9Å
365Y86.3Confident84.9Confident14 Ų1448.8 Ų48.86%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-126.5149.1178.5-72.7-95.8000110.8L343 T353 R354 I356 E363 W374 M375 K376L343-Y365 HydrophobicContact CD1-CD1 3.91Å; L343-Y365 HydrophobicContact CD1-CD2 4.04Å; L343-Y365 HydrophobicContact CD1-CE1 3.64Å; L343-Y365 HydrophobicContact CD1-CE2 3.78Å; L343-Y365 HydrophobicContact CD1-CG 4.1Å; L343-Y365 HydrophobicContact CD2-CD1 4.15Å; L343-Y365 HydrophobicContact CD2-CD2 4.09Å; L343-Y365 HydrophobicContact CD2-CG 3.81Å; T353-Y365 CarbonylContact C-O 3.59Å; T353-Y365 VanDerWaalsContact CA-O 3.27Å; T353-Y365 WeakPolarHBondContact CA-O 3.39Å; R354-Y365 PolarHBondContact N-O 2.86Å; R354-Y365 PolarHBondContact O-N 3.18Å; I356-Y365 HydrophobicContact CB-CD2 4.09Å; I356-Y365 HydrophobicContact CB-CE2 4.01Å; I356-Y365 HydrophobicContact CG1-CD2 3.64Å; I356-Y365 HydrophobicContact CG1-CE2 3.95Å; E363-Y365 HydrophobicContact CB-CD2 4.36Å; E363-Y365 HydrophobicContact CB-CE2 3.74Å; E363-Y365 PolarHBondContact OE2-OH 2.89Å; Y365-W374 HydrophobicContact CD1-CB 4.08Å; Y365-M375 CarbonylContact C-O 3.59Å; Y365-M375 VanDerWaalsContact CA-O 3.25Å; Y365-M375 WeakPolarHBondContact CA-O 3.32Å; Y365-K376 HydrophobicContact CD1-CB 4.04Å; Y365-K376 HydrophobicContact CE1-CB 3.66Å; Y365-K376 HydrophobicContact CE1-CG 4.28Å
366Q88.9Confident85.3Confident3 Ų350.2 Ų50.21%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-122.7135.7175-175.2167.341.400110.5T266 G351 Q352 W374 M375 I377T266-Q366 VanDerWaalsContact CG2-NE2 3.33Å; G351-Q366 PolarHBondContact O-NE2 2.8Å; Q352-Q366 CarbonylContact O-C 3.57Å; Q352-Q366 VanDerWaalsContact O-CA 3.31Å; Q352-Q366 WeakPolarHBondContact O-CA 3.49Å; Q366-W374 WeakPolarHBondContact O-CA 3.46Å; Q366-M375 PolarHBondContact N-O 3.46Å; Q366-M375 PolarHBondContact O-N 3.27Å; Q366-I377 HydrophobicContact CB-CD1 4.17Å; Q366-I377 HydrophobicContact CB-CG1 4.4Å; Q366-I377 HydrophobicContact CB-CG2 3.58Å
367W90Very high85.3Confident23 Ų2350.2 Ų50.29%0.08727%0.266CS..EExtended strand (participates in β ladder)trans-79.5123.5174.6-176-111.2000111.1P346 G347 G351 Q352 S372 R373 W374P346-W367 HydrophobicContact CB-CH2 3.49Å; P346-W367 VanDerWaalsContact CB-CH2 3.49Å; P346-W367 HydrophobicContact CB-CZ2 3.7Å; P346-W367 HydrophobicContact CB-CZ3 4.19Å; G347-W367 PolarHBondContact O-NE1 2.86Å; G351-W367 PolarHBondContact N-O 3.3Å; Q352-W367 HydrophobicContact CB-CB 4.18Å; Q352-W367 PolarHBondContact O-N 3.45Å; W367-S372 VanDerWaalsContact CH2-C 3.44Å; W367-S372 WeakPolarHBondContact CH2-O 3.4Å; W367-R373 VanDerWaalsContact CE3-C 3.42Å; W367-R373 VanDerWaalsContact CZ3-C 3.47Å; W367-W374 HydrophobicContact CB-CD2 4.35Å; W367-W374 HydrophobicContact CB-CE3 4.05Å; W367-W374 HydrophobicContact CB-CH2 3.82Å; W367-W374 HydrophobicContact CB-CZ2 4.14Å; W367-W374 HydrophobicContact CB-CZ3 3.8Å; W367-W374 AromaticContact CE3-CD1 3.62Å; W367-W374 AromaticContact CE3-CD2 3.83Å; W367-W374 HydrophobicContact CE3-CD2 3.83Å; W367-W374 AromaticContact CE3-CE2 3.57Å; W367-W374 AromaticContact CE3-CG 3.82Å; W367-W374 HydrophobicContact CE3-CG 3.82Å; W367-W374 HydrophobicContact CE3-CZ2 4.13Å; W367-W374 AromaticContact CE3-NE1 3.48Å; W367-W374 AromaticContact CZ3-CD1 3.68Å; W367-W374 HydrophobicContact CZ3-CG 4.26Å; W367-W374 AromaticContact CZ3-NE1 3.69Å
368S89.6Confident85.3Confident3 Ų346.5 Ų46.52%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-97.6115.4163.9171.70000108.3A370 D371 S372 R373S368-A370 VanDerWaalsContact C-N 3.32Å; S368-D371 WeakPolarHBondContact OG-CB 3.17Å; S368-D371 PolarHBondContact OG-N 2.85Å; S368-D371 PolarHBondContact OG-OD2 2.79Å; S368-S372 VanDerWaalsContact O-CA 3.3Å; S368-S372 WeakPolarHBondContact O-CA 3.5Å; S368-S372 PolarHBondContact O-N 3.22Å; S368-R373 PolarHBondContact N-O 2.79Å; S368-R373 PolarHBondContact O-N 2.96Å
369V87.6Confident85.3Confident74 Ų7444.3 Ų44.345%0.44824%0.241SC..THydrogen-bonded Turntrans-66.2-40.6171.41730000109.9E350 D371 S372E350-V369 HydrophobicContact CB-CG2 3.93Å; E350-V369 PolarHBondContact OE2-N 3.33Å; V369-D371 PolarHBondContact O-N 2.95Å; V369-S372 PolarHBondContact O-N 3.43Å; V369-S372 PolarHBondContact O-OG 3.43Å
370A84.8Confident84.9Confident47 Ų4742 Ų4239%0.38822%0.215SC..THydrogen-bonded Turntrans-63.5-41.3-177.200000113S368S368-A370 VanDerWaalsContact C-N 3.32Å
371D85.4Confident84.4Confident53 Ų5336.9 Ų36.928%0.28320%0.197SC..THydrogen-bonded Turntrans-94.5-3.2177.1-51.1-72.8000112.7K8 S368 V369 R373K8-D371 IonicContact NZ-OD1 3.78Å; K8-D371 PolarHBondContact NZ-OD1 3.18Å; S368-D371 WeakPolarHBondContact OG-CB 3.17Å; S368-D371 PolarHBondContact OG-N 2.85Å; S368-D371 PolarHBondContact OG-OD2 2.79Å; V369-D371 PolarHBondContact O-N 2.95Å; D371-R373 VanDerWaalsContact C-N 3.27Å; D371-R373 HydrophobicContact CB-CG 3.91Å; D371-R373 PolarHBondContact O-N 2.94Å
372S89.2Confident83.2Confident88 Ų8833.1 Ų33.162%0.61519%0.19SC*.THydrogen-bonded Turntrans50.241.5-178.9-64.80000114.1W367 S368 V369W367-S372 VanDerWaalsContact CH2-C 3.44Å; W367-S372 WeakPolarHBondContact CH2-O 3.4Å; S368-S372 VanDerWaalsContact O-CA 3.3Å; S368-S372 WeakPolarHBondContact O-CA 3.5Å; S368-S372 PolarHBondContact O-N 3.22Å; V369-S372 PolarHBondContact O-N 3.43Å; V369-S372 PolarHBondContact O-OG 3.43Å
373R93.5Very high81.4Confident88 Ų8836.1 Ų36.133%0.33222%0.223SC..EExtended strand (participates in β ladder)trans-145.5159.6-178.964.6170.5175.21341.9113E314 W367 S368 D371 M375E314-R373 VanDerWaalsContact CD-NH2 3.27Å; E314-R373 IonicContact OE1-CZ 2.89Å; E314-R373 IonicContact OE1-NH1 2.67Å; E314-R373 IonicContact OE1-NH2 2.94Å; E314-R373 PolarHBondContact OE1-NH2 3.42Å; E314-R373 IonicContact OE2-CZ 2.74Å; E314-R373 IonicContact OE2-NH1 2.73Å; E314-R373 PolarHBondContact OE2-NH1 3.36Å; E314-R373 IonicContact OE2-NH2 3.74Å; E314-R373 PolarHBondContact OE2-NH2 3.05Å; E314-R373 VanDerWaalsContact OE2-NH2 3.13Å; W367-R373 VanDerWaalsContact CE3-C 3.42Å; W367-R373 VanDerWaalsContact CZ3-C 3.47Å; S368-R373 PolarHBondContact N-O 2.79Å; S368-R373 PolarHBondContact O-N 2.96Å; D371-R373 VanDerWaalsContact C-N 3.27Å; D371-R373 HydrophobicContact CB-CG 3.91Å; D371-R373 PolarHBondContact O-N 2.94Å; R373-M375 HydrophobicContact CG-CG 4.21Å
374W90.6Very high78.6Confident25 Ų2540.5 Ų40.510%0.09526%0.255CS..EExtended strand (participates in β ladder)trans-80.9125.1162.9-67.997.6000110.5L343 E345 Q352 R354 Y365 Q366 W367L343-W374 HydrophobicContact CB-CG 4.47Å; L343-W374 HydrophobicContact CD2-CB 3.85Å; L343-W374 HydrophobicContact CD2-CD2 3.96Å; L343-W374 HydrophobicContact CD2-CE3 4.46Å; L343-W374 HydrophobicContact CD2-CG 3.65Å; E345-W374 PolarHBondContact O-NE1 3.32Å; Q352-W374 HydrophobicContact CB-CH2 4.32Å; Q352-W374 HydrophobicContact CG-CH2 4.01Å; Q352-W374 VanDerWaalsContact O-CZ3 3.28Å; Q352-W374 WeakPolarHBondContact O-CZ3 3.35Å; R354-W374 HydrophobicContact CB-CE3 4.29Å; R354-W374 HydrophobicContact CB-CH2 4.07Å; R354-W374 HydrophobicContact CB-CZ3 3.77Å; R354-W374 VanDerWaalsContact CD-CH2 3.45Å; R354-W374 VanDerWaalsContact CD-CZ2 3.47Å; R354-W374 HydrophobicContact CG-CH2 3.5Å; R354-W374 VanDerWaalsContact CG-CH2 3.5Å; R354-W374 HydrophobicContact CG-CZ2 4.08Å; R354-W374 HydrophobicContact CG-CZ3 3.76Å; Y365-W374 HydrophobicContact CD1-CB 4.08Å; Q366-W374 WeakPolarHBondContact O-CA 3.46Å; W367-W374 HydrophobicContact CB-CD2 4.35Å; W367-W374 HydrophobicContact CB-CE3 4.05Å; W367-W374 HydrophobicContact CB-CH2 3.82Å; W367-W374 HydrophobicContact CB-CZ2 4.14Å; W367-W374 HydrophobicContact CB-CZ3 3.8Å; W367-W374 AromaticContact CE3-CD1 3.62Å; W367-W374 AromaticContact CE3-CD2 3.83Å; W367-W374 HydrophobicContact CE3-CD2 3.83Å; W367-W374 AromaticContact CE3-CE2 3.57Å; W367-W374 AromaticContact CE3-CG 3.82Å; W367-W374 HydrophobicContact CE3-CG 3.82Å; W367-W374 HydrophobicContact CE3-CZ2 4.13Å; W367-W374 AromaticContact CE3-NE1 3.48Å; W367-W374 AromaticContact CZ3-CD1 3.68Å; W367-W374 HydrophobicContact CZ3-CG 4.26Å; W367-W374 AromaticContact CZ3-NE1 3.69Å
375M89.8Confident76.2Confident33 Ų3348.3 Ų48.316%0.16330%0.297CS..EExtended strand (participates in β ladder)trans-102.9134.2175.1-54.7-172.4-58.200109.2Y365 Q366 R373 I377Y365-M375 CarbonylContact C-O 3.59Å; Y365-M375 VanDerWaalsContact CA-O 3.25Å; Y365-M375 WeakPolarHBondContact CA-O 3.32Å; Q366-M375 PolarHBondContact N-O 3.46Å; Q366-M375 PolarHBondContact O-N 3.27Å; R373-M375 HydrophobicContact CG-CG 4.21Å; M375-I377 PolarHBondContact O-N 3.07Å
376K88.8Confident73.4Confident53 Ų5355.7 Ų55.723%0.2333%0.331CS..EExtended strand (participates in β ladder)trans-73.9126.3176.5-176174.3173179.50109.7S318 E363 Y365 D379S318-K376 WeakPolarHBondContact O-CE 3.32Å; E363-K376 IonicContact OE1-NZ 3.7Å; E363-K376 PolarHBondContact OE1-NZ 3.42Å; E363-K376 WeakPolarHBondContact OE2-CD 3.41Å; E363-K376 WeakPolarHBondContact OE2-CE 3.49Å; E363-K376 IonicContact OE2-NZ 2.71Å; E363-K376 PolarHBondContact OE2-NZ 3.26Å; Y365-K376 HydrophobicContact CD1-CB 4.04Å; Y365-K376 HydrophobicContact CE1-CB 3.66Å; Y365-K376 HydrophobicContact CE1-CG 4.28Å; K376-D379 VanDerWaalsContact CE-OD1 3.27Å; K376-D379 WeakPolarHBondContact CE-OD1 3.4Å; K376-D379 IonicContact NZ-OD1 3.4Å; K376-D379 PolarHBondContact NZ-OD1 3.41Å
377I85.8Confident70.8Confident0 Ų065.2 Ų65.20%038%0.376CS..EExtended strand (participates in β ladder)trans-114.45.5-175.457.2157.7000114.5R268 L317 T320 I322 T353 A364 Q366 M375R268-I377 VanDerWaalsContact NH1-CD1 3.31Å; L317-I377 HydrophobicContact CD2-CG2 4.1Å; L317-I377 HydrophobicContact CG-CG2 4.48Å; L317-I377 CarbonylContact O-C 3.56Å; T320-I377 PolarHBondContact OG1-O 2.92Å; T320-I377 VanDerWaalsContact OG1-O 3.07Å; I322-I377 HydrophobicContact CD1-CD1 4.29Å; I322-I377 HydrophobicContact CD1-CG1 4.33Å; T353-I377 HydrophobicContact CG2-CD1 4.17Å; A364-I377 HydrophobicContact CB-CD1 4.04Å; A364-I377 HydrophobicContact CB-CG1 3.76Å; A364-I377 VanDerWaalsContact O-CG1 3.25Å; A364-I377 WeakPolarHBondContact O-CG1 3.41Å; A364-I377 PolarHBondContact O-N 3.43Å; Q366-I377 HydrophobicContact CB-CD1 4.17Å; Q366-I377 HydrophobicContact CB-CG1 4.4Å; Q366-I377 HydrophobicContact CB-CG2 3.58Å; M375-I377 PolarHBondContact O-N 3.07Å
378G83.8Confident67.9Low0 Ų068.9 Ų68.90%040%0.401CS..EExtended strand (participates in β ladder)trans148.4170.8171.400000114.8T320 A364T320-G378 CarbonylContact O-C 3.58Å; T320-G378 WeakPolarHBondContact O-CA 3.33Å; A364-G378 PolarHBondContact N-O 3.46Å
379D80.6Confident65.6Low34 Ų3473.1 Ų73.118%0.18243%0.431CS..EExtended strand (participates in β ladder)trans-90.3134.2166.4-79.39.1000108.8T320 T321 I322 K361 K376T320-D379 PolarHBondContact O-N 3.11Å; T321-D379 WeakPolarHBondContact CA-O 3.33Å; I322-D379 PolarHBondContact N-O 2.94Å; K361-D379 IonicContact NZ-OD2 2.63Å; K361-D379 PolarHBondContact NZ-OD2 3.48Å; K376-D379 VanDerWaalsContact CE-OD1 3.27Å; K376-D379 WeakPolarHBondContact CE-OD1 3.4Å; K376-D379 IonicContact NZ-OD1 3.4Å; K376-D379 PolarHBondContact NZ-OD1 3.41Å
380V69Low63.8Low11 Ų1175.3 Ų75.37%0.06743%0.434CS..EExtended strand (participates in β ladder)trans-96.4116.7176.5-1770000109.1I322 P324 L329 I332 L355 V362 A364I322-V380 HydrophobicContact CB-CG2 4.16Å; I322-V380 HydrophobicContact CD1-CG2 4.5Å; P324-V380 HydrophobicContact CB-CG1 4.33Å; L329-V380 HydrophobicContact CD1-CG1 4.31Å; L329-V380 HydrophobicContact CD1-CG2 4.13Å; I332-V380 HydrophobicContact CD1-CG1 3.65Å; L355-V380 HydrophobicContact CD2-CG2 3.73Å; V362-V380 HydrophobicContact CB-CB 4.03Å; V362-V380 HydrophobicContact CG1-CB 3.88Å; V362-V380 HydrophobicContact CG1-CG1 4.43Å; V362-V380 HydrophobicContact CG1-CG2 4.14Å; V362-V380 PolarHBondContact O-N 2.81Å; A364-V380 HydrophobicContact CB-CG2 3.9Å
381V62.6Low62.6Low86 Ų8678.3 Ų78.352%0.52144%0.439SS..PPolyproline II helixtrans-94.4122-174.4-176.50000109.7T321 I322 P324 G383T321-V381 HydrophobicContact CG2-CB 4.13Å; T321-V381 HydrophobicContact CG2-CG2 3.56Å; I322-V381 PolarHBondContact O-N 3.07Å; P324-V381 WeakPolarHBondContact CD-O 3.08Å; V381-G383 PolarHBondContact O-N 2.63Å
382G52.3Low61.8Low35 Ų3579 Ų7936%0.36144%0.444SS..PPolyproline II helixtrans-64.9130.2-169.700000114.7M334 S384M334-G382 VanDerWaalsContact CE-CA 3.41Å; G382-S384 PolarHBondContact O-N 2.88Å; G382-S384 VanDerWaalsContact O-N 3.14Å
383G41.8Very low60.6Low69 Ų6980 Ų8071%0.71144%0.443SS*.  trans-66.9106.7172.200000111.8V381 N385V381-G383 PolarHBondContact O-N 2.63Å; G383-N385 PolarHBondContact O-N 3.34Å
384S27.7Very low59.4Low108 Ų10878.3 Ų78.376%0.75544%0.437SS*.  trans-79.6115177490000112G382 Q386G382-S384 PolarHBondContact O-N 2.88Å; G382-S384 VanDerWaalsContact O-N 3.14Å; S384-Q386 PolarHBondContact O-N 2.82Å
385N31.4Very low58.3Low168 Ų16882.9 Ų82.990%0.89846%0.459SS*.SBendtrans25.966.4155.2-70.2-9.4000117.8G383G383-N385 PolarHBondContact O-N 3.34Å
386Q28.1Very low56.6Low168 Ų16884.5 Ų84.579%0.78549%0.485SS*.  trans-123.5106.3152.1-75.2-170.3-900109.3S384 T388S384-Q386 PolarHBondContact O-N 2.82Å; Q386-T388 VanDerWaalsContact C-N 3.28Å; Q386-T388 PolarHBondContact O-N 3.23Å
387Q34.1Very low55.4Low204 Ų20488.5 Ų88.595%0.95350%0.502SS*.  trans-66.691.9162.6-77.2174.7-52.800108.4
388T28.9Very low54.6Low99 Ų9994.4 Ų94.461%0.60753%0.53SS*.  trans-97.9136.815442.70000107.7Q386 K390Q386-T388 VanDerWaalsContact C-N 3.28Å; Q386-T388 PolarHBondContact O-N 3.23Å; T388-K390 PolarHBondContact O-N 3.22Å
389S41.7Very low54.2Low93 Ų9396.6 Ų96.665%0.6554%0.538SS*.  trans-55109.7-174.243.40000110.6
390K50.5Low54Low119 Ų11996.1 Ų96.152%0.51754%0.536SS..PPolyproline II helixtrans-69.4130.3179.9-71-179.2177.3-177.80109.4D331 T388D331-K390 VanDerWaalsContact OD1-CE 3.26Å; D331-K390 WeakPolarHBondContact OD1-CE 3.39Å; D331-K390 IonicContact OD1-NZ 3.47Å; D331-K390 PolarHBondContact OD1-NZ 3Å; D331-K390 VanDerWaalsContact OD2-CE 3.31Å; D331-K390 WeakPolarHBondContact OD2-CE 3.23Å; D331-K390 IonicContact OD2-NZ 3.72Å; D331-K390 PolarHBondContact OD2-NZ 3.11Å; T388-K390 PolarHBondContact O-N 3.22Å
391K58.7Low54.4Low111 Ų11198 Ų9848%0.48354%0.543SS..PPolyproline II helixtrans-88.3131.9157.3-62.9-162.5172.3-159.90109.4E398 Y399 D400K391-E398 HydrophobicContact CB-CB 3.98Å; K391-E398 HydrophobicContact CB-CG 4.4Å; K391-E398 HydrophobicContact CD-CB 3.95Å; K391-Y399 CarbonylContact C-O 3.47Å; K391-Y399 WeakPolarHBondContact CA-O 3.34Å; K391-D400 VanDerWaalsContact CE-OD1 3.25Å; K391-D400 WeakPolarHBondContact CE-OD1 3.34Å
392V69.6Low55.3Low66 Ų6695.4 Ų95.440%0.453%0.527SS..EExtended strand (participates in β ladder)trans-101.8122.4177.5-178.60000107.8Y399 V402V392-Y399 PolarHBondContact N-O 3.21Å; V392-Y399 PolarHBondContact O-N 2.94Å; V392-V402 HydrophobicContact CB-CB 4.47Å; V392-V402 HydrophobicContact CB-CG2 3.89Å; V392-V402 HydrophobicContact CG1-CB 4.07Å; V392-V402 HydrophobicContact CG1-CG2 3.76Å
393N63.9Low56.6Low111 Ų11195 Ų9559%0.59452%0.515SS*.EExtended strand (participates in β ladder)trans-77.5125.5176.1-170.3-5.2000110.5G396 K397N393-G396 VanDerWaalsContact OD1-C 3.3Å; N393-G396 WeakPolarHBondContact OD1-CA 3.46Å; N393-G396 PolarHBondContact OD1-N 2.95Å; N393-K397 CarbonylContact C-O 3.53Å; N393-K397 WeakPolarHBondContact CA-O 3.41Å; N393-K397 PolarHBondContact OD1-N 2.92Å; N393-K397 VanDerWaalsContact OD1-N 3.1Å; N393-K397 PolarHBondContact OD1-O 3.48Å
394Y67.9Low58.3Low52 Ų5295.1 Ų95.120%0.20450%0.502CS..EExtended strand (participates in β ladder)trans-142.5132.7176.9179.6-102.9000110.5G396 K397 V402 K415 P417Y394-G396 PolarHBondContact O-N 3.05Å; Y394-G396 VanDerWaalsContact O-N 3.12Å; Y394-K397 PolarHBondContact N-O 3.13Å; Y394-K397 PolarHBondContact O-N 3.15Å; Y394-K397 VanDerWaalsContact O-O 3.13Å; Y394-V402 HydrophobicContact CD2-CG1 4.21Å; Y394-V402 HydrophobicContact CG-CG1 4.05Å; Y394-V402 HydrophobicContact CG-CG2 4.41Å; Y394-K415 HydrophobicContact CD2-CB 4.39Å; Y394-K415 HydrophobicContact CD2-CD 3.81Å; Y394-K415 HydrophobicContact CE1-CB 4.34Å; Y394-K415 HydrophobicContact CE2-CB 3.75Å; Y394-K415 HydrophobicContact CE2-CD 3.42Å; Y394-K415 VanDerWaalsContact CE2-CD 3.42Å; Y394-K415 HydrophobicContact CE2-CG 4.2Å; Y394-P417 HydrophobicContact CD1-CB 4.04Å; Y394-P417 HydrophobicContact CD1-CG 3.95Å; Y394-P417 HydrophobicContact CE1-CG 4.24Å
395E67.4Low60.5Low121 Ų12190.8 Ų90.857%0.56547%0.471SS*.THydrogen-bonded Turntrans50.731.8-173.7-69.6172.8-159.600113.5K434E395-K434 IonicContact OE1-NZ 2.67Å; E395-K434 PolarHBondContact OE1-NZ 3.18Å; E395-K434 IonicContact OE2-NZ 2.65Å; E395-K434 PolarHBondContact OE2-NZ 3.39Å
396G53.2Low62.6Low67 Ų6788.1 Ų88.169%0.69146%0.457SS*.THydrogen-bonded Turntrans79.613.9179.600000114.9N393 Y394N393-G396 VanDerWaalsContact OD1-C 3.3Å; N393-G396 WeakPolarHBondContact OD1-CA 3.46Å; N393-G396 PolarHBondContact OD1-N 2.95Å; Y394-G396 PolarHBondContact O-N 3.05Å; Y394-G396 VanDerWaalsContact O-N 3.12Å
397K65.1Low64.2Low136 Ų13682 Ų8259%0.59143%0.429SS*.EExtended strand (participates in β ladder)trans-128.6142.6175.9-66.9179.7-177.4177.60111.3N393 Y394 Y399N393-K397 CarbonylContact C-O 3.53Å; N393-K397 WeakPolarHBondContact CA-O 3.41Å; N393-K397 PolarHBondContact OD1-N 2.92Å; N393-K397 VanDerWaalsContact OD1-N 3.1Å; N393-K397 PolarHBondContact OD1-O 3.48Å; Y394-K397 PolarHBondContact N-O 3.13Å; Y394-K397 PolarHBondContact O-N 3.15Å; Y394-K397 VanDerWaalsContact O-O 3.13Å; K397-Y399 HydrophobicContact CB-CD2 4.34Å; K397-Y399 HydrophobicContact CB-CE2 3.65Å; K397-Y399 VanDerWaalsContact O-CD2 3.3Å; K397-Y399 WeakPolarHBondContact O-CD2 3.4Å
398E68.8Low65.5Low125 Ų12578.1 Ų78.158%0.58441%0.414SS*.EExtended strand (participates in β ladder)trans-80.8126.7175-71.6-168.2163.500111.9K391K391-E398 HydrophobicContact CB-CB 3.98Å; K391-E398 HydrophobicContact CB-CG 4.4Å; K391-E398 HydrophobicContact CD-CB 3.95Å
399Y75.4Confident66.3Low46 Ų4683.3 Ų83.318%0.1843%0.432CS..EExtended strand (participates in β ladder)trans-126141.9176.3-67.3-84.7000110.9K391 V392 K397 F401 P417 N419K391-Y399 CarbonylContact C-O 3.47Å; K391-Y399 WeakPolarHBondContact CA-O 3.34Å; V392-Y399 PolarHBondContact N-O 3.21Å; V392-Y399 PolarHBondContact O-N 2.94Å; K397-Y399 HydrophobicContact CB-CD2 4.34Å; K397-Y399 HydrophobicContact CB-CE2 3.65Å; K397-Y399 VanDerWaalsContact O-CD2 3.3Å; K397-Y399 WeakPolarHBondContact O-CD2 3.4Å; Y399-F401 PolarHBondContact O-N 2.88Å; Y399-P417 HydrophobicContact CD1-CB 3.67Å; Y399-P417 HydrophobicContact CD2-CB 3.51Å; Y399-P417 HydrophobicContact CE1-CB 3.78Å; Y399-P417 HydrophobicContact CE1-CG 4.34Å; Y399-P417 HydrophobicContact CE2-CB 3.62Å; Y399-P417 HydrophobicContact CE2-CG 4.23Å; Y399-P417 HydrophobicContact CG-CB 3.53Å; Y399-N419 WeakPolarHBondContact CA-OD1 3.03Å; Y399-N419 WeakPolarHBondContact CD1-ND2 3.31Å
400D75.8Confident66.9Low24 Ų2483.1 Ų83.113%0.12845%0.445CS..SBendtrans-61.6-30.3178-57.9-43.9000112.6K391 Y418 N419 V420K391-D400 VanDerWaalsContact CE-OD1 3.25Å; K391-D400 WeakPolarHBondContact CE-OD1 3.34Å; D400-Y418 PolarHBondContact N-O 3Å; D400-N419 PolarHBondContact N-OD1 3.16Å; D400-N419 WeakPolarHBondContact OD2-CA 3.45Å; D400-N419 WeakPolarHBondContact OD2-CB 3.42Å; D400-V420 HydrophobicContact CB-CG2 3.96Å; D400-V420 PolarHBondContact OD2-N 3.46Å
401F77Confident67.3Low51 Ų5179.1 Ų79.122%0.22444%0.438CS..EExtended strand (participates in β ladder)trans-140.3147174.9-59.9-85.5000111.5Y399 F403 P417 Y418 V420 T453Y399-F401 PolarHBondContact O-N 2.88Å; F401-F403 HydrophobicContact CB-CD2 4.31Å; F401-F403 HydrophobicContact CB-CE1 4.22Å; F401-F403 HydrophobicContact CB-CE2 3.63Å; F401-F403 HydrophobicContact CB-CZ 3.57Å; F401-F403 HydrophobicContact CD1-CE1 4.31Å; F401-F403 HydrophobicContact CD1-CZ 4.02Å; F401-F403 HydrophobicContact CG-CE1 4.47Å; F401-F403 HydrophobicContact CG-CE2 4.28Å; F401-F403 AromaticContact CG-CZ 3.79Å; F401-F403 HydrophobicContact CG-CZ 3.79Å; F401-P417 WeakPolarHBondContact O-CA 3.37Å; F401-Y418 HydrophobicContact CB-CD1 4.47Å; F401-Y418 HydrophobicContact CD2-CD1 4.01Å; F401-Y418 HydrophobicContact CD2-CE1 4.46Å; F401-Y418 PolarHBondContact N-O 2.97Å; F401-Y418 PolarHBondContact O-N 3.45Å; F401-V420 HydrophobicContact CD2-CG2 4.37Å; F401-V420 HydrophobicContact CE2-CG2 3.69Å; F401-T453 HydrophobicContact CD2-CG2 4.1Å; F401-T453 HydrophobicContact CE2-CG2 4.11Å
402V81.9Confident67.4Low31 Ų3178.8 Ų78.819%0.18845%0.447CS..EExtended strand (participates in β ladder)trans-133.895.7168.3-177.90000107.9V392 Y394 K415 L416 P417V392-V402 HydrophobicContact CB-CB 4.47Å; V392-V402 HydrophobicContact CB-CG2 3.89Å; V392-V402 HydrophobicContact CG1-CB 4.07Å; V392-V402 HydrophobicContact CG1-CG2 3.76Å; Y394-V402 HydrophobicContact CD2-CG1 4.21Å; Y394-V402 HydrophobicContact CG-CG1 4.05Å; Y394-V402 HydrophobicContact CG-CG2 4.41Å; V402-K415 HydrophobicContact CG1-CB 3.99Å; V402-K415 HydrophobicContact CG1-CD 4.24Å; V402-K415 HydrophobicContact CG1-CG 4.28Å; V402-L416 CarbonylContact C-O 3.56Å; V402-L416 WeakPolarHBondContact CA-O 3.4Å; V402-P417 HydrophobicContact CG2-CB 4.24Å
403F80Confident67.6Low25 Ų2579.2 Ų79.211%0.1145%0.452CS..EExtended strand (participates in β ladder)trans-76.6151.6-179.7-57.4-71.6000110.9F401 I405 K415 L416 Y418 F448 I449 N452 T453F401-F403 HydrophobicContact CB-CD2 4.31Å; F401-F403 HydrophobicContact CB-CE1 4.22Å; F401-F403 HydrophobicContact CB-CE2 3.63Å; F401-F403 HydrophobicContact CB-CZ 3.57Å; F401-F403 HydrophobicContact CD1-CE1 4.31Å; F401-F403 HydrophobicContact CD1-CZ 4.02Å; F401-F403 HydrophobicContact CG-CE1 4.47Å; F401-F403 HydrophobicContact CG-CE2 4.28Å; F401-F403 AromaticContact CG-CZ 3.79Å; F401-F403 HydrophobicContact CG-CZ 3.79Å; F403-I405 HydrophobicContact CB-CD1 3.93Å; F403-K415 CarbonylContact O-C 3.55Å; F403-K415 VanDerWaalsContact O-CA 3.32Å; F403-K415 WeakPolarHBondContact O-CA 3.49Å; F403-L416 HydrophobicContact CB-CB 4.37Å; F403-L416 HydrophobicContact CD2-CD2 4.28Å; F403-L416 PolarHBondContact N-O 3.22Å; F403-L416 PolarHBondContact O-N 3.09Å; F403-Y418 HydrophobicContact CE2-CD1 4.29Å; F403-Y418 HydrophobicContact CE2-CG 4.49Å; F403-F448 HydrophobicContact CB-CE1 3.93Å; F403-F448 HydrophobicContact CD1-CE1 4.03Å; F403-F448 AromaticContact CG-CE1 3.95Å; F403-F448 HydrophobicContact CG-CE1 3.95Å; F403-I449 HydrophobicContact CE2-CG2 4.46Å; F403-N452 HydrophobicContact CD1-CB 4.32Å; F403-N452 HydrophobicContact CE1-CB 3.61Å; F403-N452 HydrophobicContact CZ-CB 4.06Å; F403-T453 HydrophobicContact CE2-CG2 4.27Å; F403-T453 HydrophobicContact CZ-CG2 3.75Å
404T77Confident68.4Low72 Ų7275.8 Ų75.844%0.44243%0.433SS..EExtended strand (participates in β ladder)trans-106.7121.2168.3-58.50000107.4M414T404-M414 CarbonylContact C-O 3.57Å; T404-M414 WeakPolarHBondContact CA-O 3.09Å
405I75Confident69.3Low18 Ų1878.6 Ų78.69%0.09245%0.446CS..EExtended strand (participates in β ladder)trans-111118.6-175.6-46.9-61.4000108.5F403 I407 M414 L416 F431 F448F403-I405 HydrophobicContact CB-CD1 3.93Å; I405-I407 HydrophobicContact CG2-CD1 4.49Å; I405-I407 HydrophobicContact CG2-CG1 4.03Å; I405-M414 PolarHBondContact N-O 3.44Å; I405-M414 PolarHBondContact O-N 2.91Å; I405-L416 HydrophobicContact CD1-CB 4.44Å; I405-L416 HydrophobicContact CD1-CD1 4.31Å; I405-L416 HydrophobicContact CG1-CB 3.9Å; I405-L416 HydrophobicContact CG1-CD1 4.06Å; I405-F431 HydrophobicContact CB-CE1 4.32Å; I405-F431 HydrophobicContact CB-CZ 3.97Å; I405-F431 HydrophobicContact CG1-CE1 4.21Å; I405-F431 HydrophobicContact CG1-CZ 3.91Å; I405-F431 HydrophobicContact CG2-CE1 4.4Å; I405-F448 HydrophobicContact CD1-CD1 3.64Å; I405-F448 HydrophobicContact CD1-CE1 3.34Å; I405-F448 HydrophobicContact CD1-CG 4.49Å; I405-F448 HydrophobicContact CD1-CZ 3.97Å
406D75.2Confident70.2Confident112 Ų11272.9 Ų72.960%0.59942%0.42SS*.  trans-96.9114.7174.7-61.3-37.9000109S413D406-S413 WeakPolarHBondContact OD1-CB 3.41Å
407I61.8Low71.7Confident39 Ų3970.9 Ų70.920%0.240%0.395CS..  trans-93.5-13.7-166.7-70.6142.4000113I405 M414 F431 L437I405-I407 HydrophobicContact CG2-CD1 4.49Å; I405-I407 HydrophobicContact CG2-CG1 4.03Å; I407-M414 HydrophobicContact CD1-CB 4.34Å; I407-M414 HydrophobicContact CD1-CE 3.59Å; I407-M414 HydrophobicContact CD1-CG 4.12Å; I407-M414 HydrophobicContact CD1-SD 3.45Å; I407-M414 WeakPolarHBondContact CD1-SD 3.18Å; I407-F431 HydrophobicContact CD1-CZ 4.42Å; I407-L437 HydrophobicContact CD1-CD1 3.4Å; I407-L437 HydrophobicContact CD1-CD2 4.1Å; I407-L437 HydrophobicContact CD1-CG 4.39Å; I407-L437 HydrophobicContact CG1-CD1 4.22Å; I407-L437 HydrophobicContact CG2-CD2 4.17Å
408N60.5Low72.6Confident122 Ų12264.6 Ų64.665%0.65237%0.367SS*.SBendtrans-156153.8166.6-78.9-61.3000109.4G410 G411N408-G410 PolarHBondContact O-N 3.16Å; N408-G411 PolarHBondContact O-N 3.5Å
409E45.6Very low73.3Confident208 Ų20859.8 Ų59.897%0.97235%0.346SS*.THydrogen-bonded Turntrans-58.7107.6172.3-69.6-172.2156.900110.5
410G54.8Low73.5Confident90 Ų9059.3 Ų59.393%0.92835%0.347SS*.THydrogen-bonded Turntrans94.45.3-177.900000116.3N408N408-G410 PolarHBondContact O-N 3.16Å
411G59Low73.4Confident35 Ų3564.1 Ų64.136%0.36138%0.378SS..SBendtrans-80.5167.2171.800000113.9N408N408-G411 PolarHBondContact O-N 3.5Å
412P59.8Low73.5Confident104 Ų10464.4 Ų64.468%0.67538%0.382SS*.PPolyproline II helixtrans-67.7134.617229-33.8000110.9
413S74.4Confident73.5Confident74 Ų7467.1 Ų67.152%0.51740%0.395SS..PPolyproline II helixtrans-79.7138.3179.765.40000111.5D406D406-S413 WeakPolarHBondContact OD1-CB 3.41Å
414M81.6Confident73.6Confident40 Ų4066.9 Ų66.920%0.19740%0.396CS..EExtended strand (participates in β ladder)trans-119.2144.6-174.2-63.7-179.7-151.700111.8T404 I405 I407 F431 N435 L437T404-M414 CarbonylContact C-O 3.57Å; T404-M414 WeakPolarHBondContact CA-O 3.09Å; I405-M414 PolarHBondContact N-O 3.44Å; I405-M414 PolarHBondContact O-N 2.91Å; I407-M414 HydrophobicContact CD1-CB 4.34Å; I407-M414 HydrophobicContact CD1-CE 3.59Å; I407-M414 HydrophobicContact CD1-CG 4.12Å; I407-M414 HydrophobicContact CD1-SD 3.45Å; I407-M414 WeakPolarHBondContact CD1-SD 3.18Å; M414-F431 HydrophobicContact CB-CE2 4.04Å; M414-F431 HydrophobicContact CB-CZ 3.84Å; M414-N435 HydrophobicContact SD-CB 3.6Å; M414-L437 HydrophobicContact CE-CD2 4.21Å; M414-L437 HydrophobicContact SD-CD1 4.1Å
415K85.3Confident74.1Confident110 Ų11068.2 Ų68.248%0.47839%0.393SS..EExtended strand (participates in β ladder)trans-95.4127.2-178.4-73.5-177.9174.3-174.60112.2Y394 V402 F403 P417Y394-K415 HydrophobicContact CD2-CB 4.39Å; Y394-K415 HydrophobicContact CD2-CD 3.81Å; Y394-K415 HydrophobicContact CE1-CB 4.34Å; Y394-K415 HydrophobicContact CE2-CB 3.75Å; Y394-K415 HydrophobicContact CE2-CD 3.42Å; Y394-K415 VanDerWaalsContact CE2-CD 3.42Å; Y394-K415 HydrophobicContact CE2-CG 4.2Å; V402-K415 HydrophobicContact CG1-CB 3.99Å; V402-K415 HydrophobicContact CG1-CD 4.24Å; V402-K415 HydrophobicContact CG1-CG 4.28Å; F403-K415 CarbonylContact O-C 3.55Å; F403-K415 VanDerWaalsContact O-CA 3.32Å; F403-K415 WeakPolarHBondContact O-CA 3.49Å; K415-P417 WeakPolarHBondContact O-CD 3.4Å
416L86.6Confident74.5Confident1 Ų172.1 Ų72.11%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-112.298.5178.5-167.4164.3000109V402 F403 I405 T427 F431 V445 I449V402-L416 CarbonylContact C-O 3.56Å; V402-L416 WeakPolarHBondContact CA-O 3.4Å; F403-L416 HydrophobicContact CB-CB 4.37Å; F403-L416 HydrophobicContact CD2-CD2 4.28Å; F403-L416 PolarHBondContact N-O 3.22Å; F403-L416 PolarHBondContact O-N 3.09Å; I405-L416 HydrophobicContact CD1-CB 4.44Å; I405-L416 HydrophobicContact CD1-CD1 4.31Å; I405-L416 HydrophobicContact CG1-CB 3.9Å; I405-L416 HydrophobicContact CG1-CD1 4.06Å; L416-T427 HydrophobicContact CD2-CG2 3.92Å; L416-F431 HydrophobicContact CB-CD2 3.61Å; L416-F431 HydrophobicContact CB-CE2 3.73Å; L416-F431 HydrophobicContact CB-CG 4.16Å; L416-F431 HydrophobicContact CB-CZ 4.36Å; L416-F431 HydrophobicContact CD1-CB 3.85Å; L416-F431 HydrophobicContact CD1-CD1 3.66Å; L416-F431 HydrophobicContact CD1-CD2 3.86Å; L416-F431 HydrophobicContact CD1-CE1 4.16Å; L416-F431 HydrophobicContact CD1-CE2 4.34Å; L416-F431 HydrophobicContact CD1-CG 3.49Å; L416-F431 VanDerWaalsContact CD1-CG 3.49Å; L416-F431 HydrophobicContact CD1-CZ 4.47Å; L416-F431 HydrophobicContact CG-CB 3.9Å; L416-F431 HydrophobicContact CG-CD1 4.32Å; L416-F431 HydrophobicContact CG-CD2 3.58Å; L416-F431 HydrophobicContact CG-CE2 4.18Å; L416-F431 HydrophobicContact CG-CG 3.66Å; L416-V445 HydrophobicContact CD1-CG1 3.45Å; L416-V445 VanDerWaalsContact CD1-CG1 3.45Å; L416-I449 HydrophobicContact CD1-CD1 3.99Å; L416-I449 HydrophobicContact CD1-CG1 4.29Å; L416-I449 HydrophobicContact CD2-CD1 3.81Å; L416-I449 HydrophobicContact CD2-CG1 4.11Å
417P86.1Confident75.2Confident25 Ų2567.7 Ų67.716%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-76.2140.317331.5-34.2000111.6Y394 Y399 F401 V402 K415Y394-P417 HydrophobicContact CD1-CB 4.04Å; Y394-P417 HydrophobicContact CD1-CG 3.95Å; Y394-P417 HydrophobicContact CE1-CG 4.24Å; Y399-P417 HydrophobicContact CD1-CB 3.67Å; Y399-P417 HydrophobicContact CD2-CB 3.51Å; Y399-P417 HydrophobicContact CE1-CB 3.78Å; Y399-P417 HydrophobicContact CE1-CG 4.34Å; Y399-P417 HydrophobicContact CE2-CB 3.62Å; Y399-P417 HydrophobicContact CE2-CG 4.23Å; Y399-P417 HydrophobicContact CG-CB 3.53Å; F401-P417 WeakPolarHBondContact O-CA 3.37Å; V402-P417 HydrophobicContact CG2-CB 4.24Å; K415-P417 WeakPolarHBondContact O-CD 3.4Å
418Y83Confident76.4Confident4 Ų465.9 Ų65.92%0.01638%0.381CS..EExtended strand (participates in β ladder)trans-151.8134.8-176.1172.3-98.1000111.1D400 F401 F403 D422 P424 T427 I449 T453D400-Y418 PolarHBondContact N-O 3Å; F401-Y418 HydrophobicContact CB-CD1 4.47Å; F401-Y418 HydrophobicContact CD2-CD1 4.01Å; F401-Y418 HydrophobicContact CD2-CE1 4.46Å; F401-Y418 PolarHBondContact N-O 2.97Å; F401-Y418 PolarHBondContact O-N 3.45Å; F403-Y418 HydrophobicContact CE2-CD1 4.29Å; F403-Y418 HydrophobicContact CE2-CG 4.49Å; Y418-D422 HydrophobicContact CD2-CB 4.21Å; Y418-D422 HydrophobicContact CE2-CB 4.11Å; Y418-D422 WeakPolarHBondContact CE2-O 3.3Å; Y418-D422 PolarHBondContact OH-O 3.44Å; Y418-P424 HydrophobicContact CE2-CB 4.49Å; Y418-P424 HydrophobicContact CE2-CG 4.23Å; Y418-T427 HydrophobicContact CD2-CG2 4Å; Y418-I449 HydrophobicContact CD1-CG2 4.05Å; Y418-I449 HydrophobicContact CD2-CG2 3.74Å; Y418-I449 HydrophobicContact CE1-CG2 3.98Å; Y418-I449 HydrophobicContact CE2-CG2 3.63Å; Y418-I449 HydrophobicContact CG-CG2 3.93Å; Y418-T453 HydrophobicContact CD1-CG2 4.02Å; Y418-T453 HydrophobicContact CE1-CG2 3.68Å
419N82.6Confident77.7Confident24 Ų2464.2 Ų64.213%0.12837%0.369CS..  trans-100.3153.2166.5-55.2-78.9000111.1Y399 D400 T421 D422Y399-N419 WeakPolarHBondContact CA-OD1 3.03Å; Y399-N419 WeakPolarHBondContact CD1-ND2 3.31Å; D400-N419 PolarHBondContact N-OD1 3.16Å; D400-N419 WeakPolarHBondContact OD2-CA 3.45Å; D400-N419 WeakPolarHBondContact OD2-CB 3.42Å; N419-T421 PolarHBondContact O-N 3Å; N419-T421 VanDerWaalsContact O-N 3.11Å; N419-D422 VanDerWaalsContact CB-OD2 3.28Å; N419-D422 WeakPolarHBondContact CB-OD2 3.31Å; N419-D422 PolarHBondContact N-OD2 3.19Å; N419-D422 PolarHBondContact ND2-OD2 2.96Å; N419-D422 WeakPolarHBondContact O-CB 3.29Å; N419-D422 PolarHBondContact O-N 2.82Å
420V79.6Confident79.6Confident36 Ų3658.1 Ų58.122%0.21834%0.344CS..THydrogen-bonded Turntrans-58.9-24.7175.5173.50000112.5D400 F401 H456D400-V420 HydrophobicContact CB-CG2 3.96Å; D400-V420 PolarHBondContact OD2-N 3.46Å; F401-V420 HydrophobicContact CD2-CG2 4.37Å; F401-V420 HydrophobicContact CE2-CG2 3.69Å; V420-H456 HydrophobicContact CG1-CB 4.41Å; V420-H456 WeakPolarHBondContact CG1-O 3.37Å; V420-H456 HydrophobicContact CG2-CB 4.08Å
421T73.9Confident81.3Confident126 Ų12654.4 Ų54.477%0.77330%0.302SS*.THydrogen-bonded Turntrans-83.1-12.8177.152.50000114.5N419N419-T421 PolarHBondContact O-N 3Å; N419-T421 VanDerWaalsContact O-N 3.11Å
422D79.3Confident82.6Confident56 Ų5653 Ų5330%0.29929%0.286SS..SBendtrans-86.6149.7-174.1-58.6-22.1000110.4Y418 N419 P424Y418-D422 HydrophobicContact CD2-CB 4.21Å; Y418-D422 HydrophobicContact CE2-CB 4.11Å; Y418-D422 WeakPolarHBondContact CE2-O 3.3Å; Y418-D422 PolarHBondContact OH-O 3.44Å; N419-D422 VanDerWaalsContact CB-OD2 3.28Å; N419-D422 WeakPolarHBondContact CB-OD2 3.31Å; N419-D422 PolarHBondContact N-OD2 3.19Å; N419-D422 PolarHBondContact ND2-OD2 2.96Å; N419-D422 WeakPolarHBondContact O-CB 3.29Å; N419-D422 PolarHBondContact O-N 2.82Å; D422-P424 WeakPolarHBondContact O-CD 3.23Å
423D81.9Confident83.8Confident88 Ų8854.4 Ų54.447%0.47128%0.284SS..  trans-73.5126.5175.3178.3-87.5000110.5W425 L426 T427D423-W425 VanDerWaalsContact C-N 3.31Å; D423-W425 PolarHBondContact O-N 3.18Å; D423-W425 WeakPolarHBondContact OD1-CA 3.3Å; D423-W425 VanDerWaalsContact OD1-CB 3.29Å; D423-W425 WeakPolarHBondContact OD1-CB 3.28Å; D423-W425 PolarHBondContact OD1-N 2.79Å; D423-L426 HydrophobicContact CB-CB 4.02Å; D423-L426 PolarHBondContact O-N 3.04Å; D423-L426 PolarHBondContact OD1-N 3.15Å; D423-T427 WeakPolarHBondContact O-CB 3.38Å; D423-T427 PolarHBondContact O-N 2.91Å; D423-T427 PolarHBondContact O-OG1 2.86Å
424P81.8Confident84.3Confident20 Ų2056.9 Ų56.913%0.1329%0.285CS..Hα-helixtrans-61.8-34.2-177.9-25.733.9000114.2Y418 D422 A428 I449 I450Y418-P424 HydrophobicContact CE2-CB 4.49Å; Y418-P424 HydrophobicContact CE2-CG 4.23Å; D422-P424 WeakPolarHBondContact O-CD 3.23Å; P424-A428 VanDerWaalsContact O-CB 3.26Å; P424-A428 WeakPolarHBondContact O-CB 3.47Å; P424-A428 PolarHBondContact O-N 3.01Å; P424-I449 HydrophobicContact CB-CB 4.32Å; P424-I449 HydrophobicContact CB-CG2 3.97Å; P424-I449 HydrophobicContact CG-CG2 4.47Å; P424-I450 HydrophobicContact CB-CD1 4.18Å; P424-I450 HydrophobicContact CB-CG1 3.7Å; P424-I450 HydrophobicContact CG-CG1 3.83Å
425W88.1Confident84.4Confident100 Ų10057.5 Ų57.538%0.37929%0.289SS..Hα-helixtrans-75-43.1-178.5-72.191000111.4D423 T427 A428 H429 L442 D443 A446D423-W425 VanDerWaalsContact C-N 3.31Å; D423-W425 PolarHBondContact O-N 3.18Å; D423-W425 WeakPolarHBondContact OD1-CA 3.3Å; D423-W425 VanDerWaalsContact OD1-CB 3.29Å; D423-W425 WeakPolarHBondContact OD1-CB 3.28Å; D423-W425 PolarHBondContact OD1-N 2.79Å; W425-T427 VanDerWaalsContact C-N 3.34Å; W425-A428 PolarHBondContact O-N 2.94Å; W425-H429 WeakPolarHBondContact O-CB 3.07Å; W425-H429 PolarHBondContact O-N 2.9Å; W425-L442 HydrophobicContact CE3-CD2 4.33Å; W425-L442 HydrophobicContact CE3-CG 4Å; W425-L442 HydrophobicContact CZ3-CG 4.12Å; W425-D443 HydrophobicContact CH2-CB 4.19Å; W425-D443 HydrophobicContact CZ3-CB 4.39Å; W425-D443 VanDerWaalsContact CZ3-OD1 3.26Å; W425-D443 WeakPolarHBondContact CZ3-OD1 3.08Å; W425-A446 HydrophobicContact CD2-CB 3.52Å; W425-A446 HydrophobicContact CE3-CB 3.55Å; W425-A446 HydrophobicContact CG-CB 4.01Å; W425-A446 HydrophobicContact CH2-CB 4.22Å; W425-A446 HydrophobicContact CZ2-CB 4.18Å; W425-A446 HydrophobicContact CZ3-CB 3.92Å
426L84.4Confident84.3Confident101 Ų10161.3 Ų61.353%0.52931%0.309SS..Hα-helixtrans-64.7-40.1174.1-173.459.3000111.4D423 H429 N430D423-L426 HydrophobicContact CB-CB 4.02Å; D423-L426 PolarHBondContact O-N 3.04Å; D423-L426 PolarHBondContact OD1-N 3.15Å; L426-H429 PolarHBondContact O-N 3.36Å; L426-N430 WeakPolarHBondContact O-CB 3.42Å; L426-N430 PolarHBondContact O-N 3.03Å; L426-N430 PolarHBondContact O-ND2 2.98Å
427T88.6Confident84.1Confident19 Ų1962.9 Ų62.912%0.11732%0.317CS..Hα-helixtrans-66.4-44.5177-50.80000111.3L416 Y418 D423 W425 H429 N430 F431 I449L416-T427 HydrophobicContact CD2-CG2 3.92Å; Y418-T427 HydrophobicContact CD2-CG2 4Å; D423-T427 WeakPolarHBondContact O-CB 3.38Å; D423-T427 PolarHBondContact O-N 2.91Å; D423-T427 PolarHBondContact O-OG1 2.86Å; W425-T427 VanDerWaalsContact C-N 3.34Å; T427-H429 VanDerWaalsContact C-N 3.33Å; T427-H429 PolarHBondContact O-N 3.11Å; T427-N430 PolarHBondContact O-N 2.98Å; T427-F431 WeakPolarHBondContact O-CB 3.24Å; T427-F431 PolarHBondContact O-N 3.47Å; T427-I449 HydrophobicContact CG2-CD1 4.47Å
428A87Confident83.8Confident0 Ų063.8 Ų63.80%032%0.324CS..Hα-helixtrans-59.6-42.2173.500000112.1P424 W425 F431 L432 L442 V445 A446 I449P424-A428 VanDerWaalsContact O-CB 3.26Å; P424-A428 WeakPolarHBondContact O-CB 3.47Å; P424-A428 PolarHBondContact O-N 3.01Å; W425-A428 PolarHBondContact O-N 2.94Å; A428-F431 PolarHBondContact O-N 2.88Å; A428-L432 VanDerWaalsContact O-CG 3.31Å; A428-L432 WeakPolarHBondContact O-CG 3.13Å; A428-L432 PolarHBondContact O-N 2.79Å; A428-L442 HydrophobicContact CB-CD1 3.89Å; A428-V445 HydrophobicContact CB-CB 4.01Å; A428-V445 HydrophobicContact CB-CG1 3.73Å; A428-A446 HydrophobicContact CB-CB 3.85Å; A428-I449 HydrophobicContact CB-CD1 4.11Å
429H88Confident83.7Confident87 Ų8768.2 Ų68.240%0.40335%0.353SS..Hα-helixtrans-62.2-49.7176.7-171.682.1000112W425 L426 T427 F431 L432 Q433 L442W425-H429 WeakPolarHBondContact O-CB 3.07Å; W425-H429 PolarHBondContact O-N 2.9Å; L426-H429 PolarHBondContact O-N 3.36Å; T427-H429 VanDerWaalsContact C-N 3.33Å; T427-H429 PolarHBondContact O-N 3.11Å; H429-F431 VanDerWaalsContact C-N 3.31Å; H429-F431 PolarHBondContact O-N 2.8Å; H429-L432 PolarHBondContact O-N 2.95Å; H429-Q433 WeakPolarHBondContact O-CB 3.49Å; H429-Q433 PolarHBondContact O-N 2.82Å; H429-L442 HydrophobicContact CB-CD1 3.82Å
430N85.6Confident83.8Confident81 Ų8174.1 Ų74.143%0.43338%0.382SS..Hα-helixtrans-62.4-37.6178.4-69.7-19.8000111.9L426 T427 K434L426-N430 WeakPolarHBondContact O-CB 3.42Å; L426-N430 PolarHBondContact O-N 3.03Å; L426-N430 PolarHBondContact O-ND2 2.98Å; T427-N430 PolarHBondContact O-N 2.98Å; N430-K434 VanDerWaalsContact O-CB 3.28Å; N430-K434 WeakPolarHBondContact O-CB 3.5Å; N430-K434 PolarHBondContact O-N 3.44Å
431F90.3Very high84Confident11 Ų1175.6 Ų75.65%0.04839%0.386CS..Hα-helixtrans-64.9-46.9174.8171-97000112.2I405 I407 M414 L416 T427 A428 H429 Q433 K434 N435 L437 V445I405-F431 HydrophobicContact CB-CE1 4.32Å; I405-F431 HydrophobicContact CB-CZ 3.97Å; I405-F431 HydrophobicContact CG1-CE1 4.21Å; I405-F431 HydrophobicContact CG1-CZ 3.91Å; I405-F431 HydrophobicContact CG2-CE1 4.4Å; I407-F431 HydrophobicContact CD1-CZ 4.42Å; M414-F431 HydrophobicContact CB-CE2 4.04Å; M414-F431 HydrophobicContact CB-CZ 3.84Å; L416-F431 HydrophobicContact CB-CD2 3.61Å; L416-F431 HydrophobicContact CB-CE2 3.73Å; L416-F431 HydrophobicContact CB-CG 4.16Å; L416-F431 HydrophobicContact CB-CZ 4.36Å; L416-F431 HydrophobicContact CD1-CB 3.85Å; L416-F431 HydrophobicContact CD1-CD1 3.66Å; L416-F431 HydrophobicContact CD1-CD2 3.86Å; L416-F431 HydrophobicContact CD1-CE1 4.16Å; L416-F431 HydrophobicContact CD1-CE2 4.34Å; L416-F431 HydrophobicContact CD1-CG 3.49Å; L416-F431 VanDerWaalsContact CD1-CG 3.49Å; L416-F431 HydrophobicContact CD1-CZ 4.47Å; L416-F431 HydrophobicContact CG-CB 3.9Å; L416-F431 HydrophobicContact CG-CD1 4.32Å; L416-F431 HydrophobicContact CG-CD2 3.58Å; L416-F431 HydrophobicContact CG-CE2 4.18Å; L416-F431 HydrophobicContact CG-CG 3.66Å; T427-F431 WeakPolarHBondContact O-CB 3.24Å; T427-F431 PolarHBondContact O-N 3.47Å; A428-F431 PolarHBondContact O-N 2.88Å; H429-F431 VanDerWaalsContact C-N 3.31Å; H429-F431 PolarHBondContact O-N 2.8Å; F431-Q433 VanDerWaalsContact C-N 3.32Å; F431-Q433 PolarHBondContact O-N 2.82Å; F431-K434 PolarHBondContact O-N 3.26Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.44Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.37Å; F431-N435 PolarHBondContact O-N 3.12Å; F431-N435 PolarHBondContact O-ND2 3.04Å; F431-L437 HydrophobicContact CD1-CD1 4.48Å; F431-L437 HydrophobicContact CE1-CD1 3.86Å; F431-L437 HydrophobicContact CZ-CD1 4.37Å; F431-V445 HydrophobicContact CD1-CG1 4.16Å
432L87.2Confident84.5Confident6 Ų671.5 Ų71.53%0.03136%0.359CS..Hα-helixtrans-62-42.2176.9-68.8171.9000110.9A428 H429 N435 E436 L437 F441 L442 V445A428-L432 VanDerWaalsContact O-CG 3.31Å; A428-L432 WeakPolarHBondContact O-CG 3.13Å; A428-L432 PolarHBondContact O-N 2.79Å; H429-L432 PolarHBondContact O-N 2.95Å; L432-N435 PolarHBondContact O-N 3.47Å; L432-E436 PolarHBondContact O-N 3.03Å; L432-E436 VanDerWaalsContact O-N 3.17Å; L432-L437 HydrophobicContact CB-CB 4.21Å; L432-L437 HydrophobicContact CD2-CB 3.53Å; L432-L437 HydrophobicContact CD2-CD1 3.83Å; L432-L437 HydrophobicContact CD2-CG 4.34Å; L432-L437 HydrophobicContact CG-CB 4.48Å; L432-L437 PolarHBondContact O-N 3.13Å; L432-F441 HydrophobicContact CD1-CB 4.33Å; L432-F441 HydrophobicContact CD2-CB 3.97Å; L432-L442 HydrophobicContact CD1-CB 4.01Å; L432-L442 HydrophobicContact CD1-CD1 4.22Å; L432-V445 HydrophobicContact CD2-CG2 4.22Å
433Q85.1Confident84.5Confident134 Ų13473.6 Ų73.663%0.62637%0.37SS*.Hα-helixtrans-66.5-45.3177.7-167.8-179.625.100112.8H429 F431 N435 E436H429-Q433 WeakPolarHBondContact O-CB 3.49Å; H429-Q433 PolarHBondContact O-N 2.82Å; F431-Q433 VanDerWaalsContact C-N 3.32Å; F431-Q433 PolarHBondContact O-N 2.82Å; Q433-N435 PolarHBondContact O-N 2.92Å; Q433-E436 PolarHBondContact O-N 2.92Å
434K85.4Confident84.5Confident125 Ų12575.9 Ų75.954%0.54338%0.378SS..Hα-helixtrans-59.3-30.9179.4-176.3-178178.1-171.50112.4E395 N430 F431E395-K434 IonicContact OE1-NZ 2.67Å; E395-K434 PolarHBondContact OE1-NZ 3.18Å; E395-K434 IonicContact OE2-NZ 2.65Å; E395-K434 PolarHBondContact OE2-NZ 3.39Å; N430-K434 VanDerWaalsContact O-CB 3.28Å; N430-K434 WeakPolarHBondContact O-CB 3.5Å; N430-K434 PolarHBondContact O-N 3.44Å; F431-K434 PolarHBondContact O-N 3.26Å
435N82.6Confident84.5Confident54 Ų5475.4 Ų75.429%0.28938%0.375SS..THydrogen-bonded Turntrans-106.613-176.6-60.8-77.7000113.6M414 F431 L432 Q433 L437M414-N435 HydrophobicContact SD-CB 3.6Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.44Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.37Å; F431-N435 PolarHBondContact O-N 3.12Å; F431-N435 PolarHBondContact O-ND2 3.04Å; L432-N435 PolarHBondContact O-N 3.47Å; Q433-N435 PolarHBondContact O-N 2.92Å; N435-L437 VanDerWaalsContact C-N 3.26Å; N435-L437 HydrophobicContact CB-CD1 3.84Å; N435-L437 HydrophobicContact CB-CG 3.87Å; N435-L437 WeakPolarHBondContact O-CG 3.44Å; N435-L437 PolarHBondContact O-N 3.41Å
436E82.6Confident84.3Confident189 Ų18970.7 Ų70.788%0.88336%0.357SS*.THydrogen-bonded Turntrans56.233.7178.9-55.7-172.2166.600114.6L432 Q433L432-E436 PolarHBondContact O-N 3.03Å; L432-E436 VanDerWaalsContact O-N 3.17Å; Q433-E436 PolarHBondContact O-N 2.92Å
437L82.4Confident84Confident34 Ų3469.4 Ų69.418%0.17835%0.351CS..  trans-90.3155.1-175.5-59.9173.5000112.8I407 M414 F431 L432 N435I407-L437 HydrophobicContact CD1-CD1 3.4Å; I407-L437 HydrophobicContact CD1-CD2 4.1Å; I407-L437 HydrophobicContact CD1-CG 4.39Å; I407-L437 HydrophobicContact CG1-CD1 4.22Å; I407-L437 HydrophobicContact CG2-CD2 4.17Å; M414-L437 HydrophobicContact CE-CD2 4.21Å; M414-L437 HydrophobicContact SD-CD1 4.1Å; F431-L437 HydrophobicContact CD1-CD1 4.48Å; F431-L437 HydrophobicContact CE1-CD1 3.86Å; F431-L437 HydrophobicContact CZ-CD1 4.37Å; L432-L437 HydrophobicContact CB-CB 4.21Å; L432-L437 HydrophobicContact CD2-CB 3.53Å; L432-L437 HydrophobicContact CD2-CD1 3.83Å; L432-L437 HydrophobicContact CD2-CG 4.34Å; L432-L437 HydrophobicContact CG-CB 4.48Å; L432-L437 PolarHBondContact O-N 3.13Å; N435-L437 VanDerWaalsContact C-N 3.26Å; N435-L437 HydrophobicContact CB-CD1 3.84Å; N435-L437 HydrophobicContact CB-CG 3.87Å; N435-L437 WeakPolarHBondContact O-CG 3.44Å; N435-L437 PolarHBondContact O-N 3.41Å
438S79.6Confident83.8Confident45 Ų4572.1 Ų72.132%0.31536%0.361SS..  trans-65.3130.3-177.2-1680000112.5M440 F441S438-M440 PolarHBondContact O-N 2.94Å; S438-M440 WeakPolarHBondContact OG-CE 3.38Å; S438-M440 WeakPolarHBondContact OG-CG 3.33Å; S438-F441 WeakPolarHBondContact O-CD2 3.16Å; S438-F441 PolarHBondContact O-N 2.88Å; S438-F441 VanDerWaalsContact O-N 3.16Å
439P82.1Confident83.5Confident97 Ų9772.1 Ų72.163%0.6336%0.361SS*.G310 helixtrans-58.6-16.6177.2-27.335.7000115.3F441 L442P439-F441 PolarHBondContact O-N 3.44Å; P439-L442 VanDerWaalsContact O-CB 3.25Å; P439-L442 WeakPolarHBondContact O-CB 3.32Å; P439-L442 PolarHBondContact O-N 3.43Å; P439-L442 VanDerWaalsContact O-N 3.12Å
440M83.6Confident83.1Confident148 Ų14870.5 Ų70.573%0.72936%0.355SS*.G310 helixtrans-64.2-18.8176.670.6-178.660.900113.7S438 L442S438-M440 PolarHBondContact O-N 2.94Å; S438-M440 WeakPolarHBondContact OG-CE 3.38Å; S438-M440 WeakPolarHBondContact OG-CG 3.33Å; M440-L442 VanDerWaalsContact C-N 3.3Å
441F84.1Confident82.6Confident67 Ų6772.4 Ų72.429%0.29436%0.361SS..G310 helixtrans-84.20.3175.9-61.7-63.5000113.6L432 S438 P439 D443 Q444 V445L432-F441 HydrophobicContact CD1-CB 4.33Å; L432-F441 HydrophobicContact CD2-CB 3.97Å; S438-F441 WeakPolarHBondContact O-CD2 3.16Å; S438-F441 PolarHBondContact O-N 2.88Å; S438-F441 VanDerWaalsContact O-N 3.16Å; P439-F441 PolarHBondContact O-N 3.44Å; F441-D443 PolarHBondContact O-N 2.99Å; F441-Q444 PolarHBondContact O-N 2.76Å; F441-Q444 VanDerWaalsContact O-N 3.12Å; F441-V445 HydrophobicContact CB-CG2 4.43Å; F441-V445 WeakPolarHBondContact O-CG2 3.4Å; F441-V445 PolarHBondContact O-N 2.86Å
442L85.3Confident81.7Confident40 Ų4076 Ų7621%0.20938%0.38CS..Hα-helixtrans-56.6-51.9-175.6-177.764.6000112.1W425 A428 H429 L432 P439 M440 Q444 V445 A446W425-L442 HydrophobicContact CE3-CD2 4.33Å; W425-L442 HydrophobicContact CE3-CG 4Å; W425-L442 HydrophobicContact CZ3-CG 4.12Å; A428-L442 HydrophobicContact CB-CD1 3.89Å; H429-L442 HydrophobicContact CB-CD1 3.82Å; L432-L442 HydrophobicContact CD1-CB 4.01Å; L432-L442 HydrophobicContact CD1-CD1 4.22Å; P439-L442 VanDerWaalsContact O-CB 3.25Å; P439-L442 WeakPolarHBondContact O-CB 3.32Å; P439-L442 PolarHBondContact O-N 3.43Å; P439-L442 VanDerWaalsContact O-N 3.12Å; M440-L442 VanDerWaalsContact C-N 3.3Å; L442-Q444 VanDerWaalsContact C-N 3.27Å; L442-Q444 PolarHBondContact O-N 3.5Å; L442-V445 PolarHBondContact O-N 2.87Å; L442-A446 WeakPolarHBondContact O-CB 3.38Å; L442-A446 PolarHBondContact O-N 2.97Å
443D79.4Confident81Confident100 Ų10075.9 Ų75.954%0.53538%0.38SS..Hα-helixtrans-58.2-39.9177.1-68.314.2000111.6W425 F441 N447W425-D443 HydrophobicContact CH2-CB 4.19Å; W425-D443 HydrophobicContact CZ3-CB 4.39Å; W425-D443 VanDerWaalsContact CZ3-OD1 3.26Å; W425-D443 WeakPolarHBondContact CZ3-OD1 3.08Å; F441-D443 PolarHBondContact O-N 2.99Å; D443-N447 VanDerWaalsContact O-CB 3.23Å; D443-N447 WeakPolarHBondContact O-CB 3.36Å; D443-N447 VanDerWaalsContact O-CG 3.32Å; D443-N447 PolarHBondContact O-N 2.76Å; D443-N447 PolarHBondContact O-ND2 2.75Å
444Q81.4Confident79.4Confident135 Ų13576 Ų7663%0.63138%0.378SS*.Hα-helixtrans-70.1-45-178.1-173.9177.2-10.700111.7F441 L442 F448F441-Q444 PolarHBondContact O-N 2.76Å; F441-Q444 VanDerWaalsContact O-N 3.12Å; L442-Q444 VanDerWaalsContact C-N 3.27Å; L442-Q444 PolarHBondContact O-N 3.5Å; Q444-F448 VanDerWaalsContact O-CB 3.24Å; Q444-F448 WeakPolarHBondContact O-CB 3.3Å; Q444-F448 PolarHBondContact O-N 2.81Å
445V81.9Confident78Confident11 Ų1173.4 Ų73.47%0.06739%0.388CS..Hα-helixtrans-72.4-40.4179.6178.30000111.3L416 A428 F431 L432 F441 L442 F448 I449L416-V445 HydrophobicContact CD1-CG1 3.45Å; L416-V445 VanDerWaalsContact CD1-CG1 3.45Å; A428-V445 HydrophobicContact CB-CB 4.01Å; A428-V445 HydrophobicContact CB-CG1 3.73Å; F431-V445 HydrophobicContact CD1-CG1 4.16Å; L432-V445 HydrophobicContact CD2-CG2 4.22Å; F441-V445 HydrophobicContact CB-CG2 4.43Å; F441-V445 WeakPolarHBondContact O-CG2 3.4Å; F441-V445 PolarHBondContact O-N 2.86Å; L442-V445 PolarHBondContact O-N 2.87Å; V445-F448 WeakPolarHBondContact O-CB 3.49Å; V445-F448 PolarHBondContact O-N 2.95Å; V445-I449 HydrophobicContact CG1-CD1 4.35Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 3.23Å
446A84.4Confident76.3Confident0 Ų075.8 Ų75.80%040%0.397CS..Hα-helixtrans-63.9-46.4176.300000111.4W425 A428 L442 F448 I449 I450W425-A446 HydrophobicContact CD2-CB 3.52Å; W425-A446 HydrophobicContact CE3-CB 3.55Å; W425-A446 HydrophobicContact CG-CB 4.01Å; W425-A446 HydrophobicContact CH2-CB 4.22Å; W425-A446 HydrophobicContact CZ2-CB 4.18Å; W425-A446 HydrophobicContact CZ3-CB 3.92Å; A428-A446 HydrophobicContact CB-CB 3.85Å; L442-A446 WeakPolarHBondContact O-CB 3.38Å; L442-A446 PolarHBondContact O-N 2.97Å; A446-F448 VanDerWaalsContact C-N 3.35Å; A446-F448 PolarHBondContact O-N 2.62Å; A446-I449 PolarHBondContact O-N 3.47Å; A446-I450 WeakPolarHBondContact O-CD1 3.38Å; A446-I450 VanDerWaalsContact O-CG1 3.27Å; A446-I450 WeakPolarHBondContact O-CG1 3.32Å; A446-I450 PolarHBondContact O-N 3.05Å
447N77.9Confident74.3Confident75 Ų7571.3 Ų71.340%0.40138%0.383SS..Hα-helixtrans-64.3-39.1174.1-75-58.9000111.5D443 I449 I450 E451D443-N447 VanDerWaalsContact O-CB 3.23Å; D443-N447 WeakPolarHBondContact O-CB 3.36Å; D443-N447 VanDerWaalsContact O-CG 3.32Å; D443-N447 PolarHBondContact O-N 2.76Å; D443-N447 PolarHBondContact O-ND2 2.75Å; N447-I449 PolarHBondContact O-N 2.98Å; N447-I450 PolarHBondContact O-N 3.49Å; N447-E451 WeakPolarHBondContact O-CB 3.44Å; N447-E451 WeakPolarHBondContact O-CG 3.03Å; N447-E451 PolarHBondContact O-N 2.89Å
448F84.1Confident72.2Confident75 Ų7577.3 Ų77.333%0.32941%0.414SS..Hα-helixtrans-57.3-45.6174.2176.3-84.3000112.4F403 I405 Q444 V445 A446 E451 N452F403-F448 HydrophobicContact CB-CE1 3.93Å; F403-F448 HydrophobicContact CD1-CE1 4.03Å; F403-F448 AromaticContact CG-CE1 3.95Å; F403-F448 HydrophobicContact CG-CE1 3.95Å; I405-F448 HydrophobicContact CD1-CD1 3.64Å; I405-F448 HydrophobicContact CD1-CE1 3.34Å; I405-F448 HydrophobicContact CD1-CG 4.49Å; I405-F448 HydrophobicContact CD1-CZ 3.97Å; Q444-F448 VanDerWaalsContact O-CB 3.24Å; Q444-F448 WeakPolarHBondContact O-CB 3.3Å; Q444-F448 PolarHBondContact O-N 2.81Å; V445-F448 WeakPolarHBondContact O-CB 3.49Å; V445-F448 PolarHBondContact O-N 2.95Å; A446-F448 VanDerWaalsContact C-N 3.35Å; A446-F448 PolarHBondContact O-N 2.62Å; F448-E451 PolarHBondContact O-N 2.78Å; F448-N452 WeakPolarHBondContact CD2-ND2 3.09Å; F448-N452 WeakPolarHBondContact CE2-ND2 3.37Å; F448-N452 WeakPolarHBondContact CZ-ND2 3.21Å; F448-N452 WeakPolarHBondContact O-CB 3.31Å; F448-N452 PolarHBondContact O-N 3.42Å; F448-N452 PolarHBondContact O-ND2 3.06Å
449I80.4Confident70.1Confident0 Ų078.5 Ų78.50%043%0.434CS..Hα-helixtrans-59.8-50.4174.1-65163.8000109.8F403 L416 Y418 P424 T427 A428 V445 A446 N447 E451 N452 T453F403-I449 HydrophobicContact CE2-CG2 4.46Å; L416-I449 HydrophobicContact CD1-CD1 3.99Å; L416-I449 HydrophobicContact CD1-CG1 4.29Å; L416-I449 HydrophobicContact CD2-CD1 3.81Å; L416-I449 HydrophobicContact CD2-CG1 4.11Å; Y418-I449 HydrophobicContact CD1-CG2 4.05Å; Y418-I449 HydrophobicContact CD2-CG2 3.74Å; Y418-I449 HydrophobicContact CE1-CG2 3.98Å; Y418-I449 HydrophobicContact CE2-CG2 3.63Å; Y418-I449 HydrophobicContact CG-CG2 3.93Å; P424-I449 HydrophobicContact CB-CB 4.32Å; P424-I449 HydrophobicContact CB-CG2 3.97Å; P424-I449 HydrophobicContact CG-CG2 4.47Å; T427-I449 HydrophobicContact CG2-CD1 4.47Å; A428-I449 HydrophobicContact CB-CD1 4.11Å; V445-I449 HydrophobicContact CG1-CD1 4.35Å; V445-I449 WeakPolarHBondContact O-CG1 3.48Å; V445-I449 PolarHBondContact O-N 3.23Å; A446-I449 PolarHBondContact O-N 3.47Å; N447-I449 PolarHBondContact O-N 2.98Å; I449-E451 PolarHBondContact O-N 3.36Å; I449-N452 PolarHBondContact O-N 2.8Å; I449-T453 HydrophobicContact CG2-CG2 4.39Å; I449-T453 WeakPolarHBondContact O-CB 3.45Å; I449-T453 WeakPolarHBondContact O-CG2 3.45Å; I449-T453 PolarHBondContact O-N 3.04Å; I449-T453 VanDerWaalsContact O-N 3.11Å; I449-T453 PolarHBondContact O-OG1 3.36Å
450I79.6Confident67.7Low54 Ų5479.1 Ų79.128%0.27745%0.447SS..Hα-helixtrans-56.1-49.9179.6-68.7163.8000110.6P424 A446 N447 T453 K454P424-I450 HydrophobicContact CB-CD1 4.18Å; P424-I450 HydrophobicContact CB-CG1 3.7Å; P424-I450 HydrophobicContact CG-CG1 3.83Å; A446-I450 WeakPolarHBondContact O-CD1 3.38Å; A446-I450 VanDerWaalsContact O-CG1 3.27Å; A446-I450 WeakPolarHBondContact O-CG1 3.32Å; A446-I450 PolarHBondContact O-N 3.05Å; N447-I450 PolarHBondContact O-N 3.49Å; I450-T453 PolarHBondContact O-N 3.22Å; I450-T453 PolarHBondContact O-OG1 3.43Å; I450-K454 WeakPolarHBondContact O-CG 3.38Å; I450-K454 PolarHBondContact O-N 2.97Å; I450-K454 VanDerWaalsContact O-N 3.12Å
451E76.2Confident65Low120 Ų12076.5 Ų76.556%0.56145%0.449SS*.Hα-helixtrans-63.6-43.5-178.1-62.8-140.7114.700113.3N447 F448 I449 T453 K454N447-E451 WeakPolarHBondContact O-CB 3.44Å; N447-E451 WeakPolarHBondContact O-CG 3.03Å; N447-E451 PolarHBondContact O-N 2.89Å; F448-E451 PolarHBondContact O-N 2.78Å; I449-E451 PolarHBondContact O-N 3.36Å; E451-T453 PolarHBondContact O-N 2.78Å; E451-K454 PolarHBondContact O-N 3.29Å; E451-K454 IonicContact OE1-NZ 3.7Å; E451-K454 PolarHBondContact OE1-NZ 3.14Å
452N69.5Low62.4Low86 Ų8678.8 Ų78.846%0.4647%0.47SS..Hα-helixtrans-77.1-4.5179.9-71.1-86.1000113.8F403 F448 I449F403-N452 HydrophobicContact CD1-CB 4.32Å; F403-N452 HydrophobicContact CE1-CB 3.61Å; F403-N452 HydrophobicContact CZ-CB 4.06Å; F448-N452 WeakPolarHBondContact CD2-ND2 3.09Å; F448-N452 WeakPolarHBondContact CE2-ND2 3.37Å; F448-N452 WeakPolarHBondContact CZ-ND2 3.21Å; F448-N452 WeakPolarHBondContact O-CB 3.31Å; F448-N452 PolarHBondContact O-N 3.42Å; F448-N452 PolarHBondContact O-ND2 3.06Å; I449-N452 PolarHBondContact O-N 2.8Å
453T73.2Confident59.8Low5 Ų583.2 Ų83.23%0.03150%0.501CS..Hα-helixtrans-115.22.9175.860.90000113.7F401 F403 Y418 I449 I450 E451 G455 H456F401-T453 HydrophobicContact CD2-CG2 4.1Å; F401-T453 HydrophobicContact CE2-CG2 4.11Å; F403-T453 HydrophobicContact CE2-CG2 4.27Å; F403-T453 HydrophobicContact CZ-CG2 3.75Å; Y418-T453 HydrophobicContact CD1-CG2 4.02Å; Y418-T453 HydrophobicContact CE1-CG2 3.68Å; I449-T453 HydrophobicContact CG2-CG2 4.39Å; I449-T453 WeakPolarHBondContact O-CB 3.45Å; I449-T453 WeakPolarHBondContact O-CG2 3.45Å; I449-T453 PolarHBondContact O-N 3.04Å; I449-T453 VanDerWaalsContact O-N 3.11Å; I449-T453 PolarHBondContact O-OG1 3.36Å; I450-T453 PolarHBondContact O-N 3.22Å; I450-T453 PolarHBondContact O-OG1 3.43Å; E451-T453 PolarHBondContact O-N 2.78Å; T453-G455 PolarHBondContact O-N 3.41Å; T453-H456 PolarHBondContact O-N 2.61Å
454K52.7Low57.3Low135 Ų13584 Ų8459%0.58751%0.514SS*.THydrogen-bonded Turntrans-54.2108.4176.9-84.3170.5-174.1172.90110.5I450 E451I450-K454 WeakPolarHBondContact O-CG 3.38Å; I450-K454 PolarHBondContact O-N 2.97Å; I450-K454 VanDerWaalsContact O-N 3.12Å; E451-K454 PolarHBondContact O-N 3.29Å; E451-K454 IonicContact OE1-NZ 3.7Å; E451-K454 PolarHBondContact OE1-NZ 3.14Å
455G54.4Low54.8Low72 Ų7282.6 Ų82.674%0.74253%0.526SS*.THydrogen-bonded Turntrans126.6-18.6-176.900000114.5T453T453-G455 PolarHBondContact O-N 3.41Å
456H48.5Very low52.2Low104 Ų10486.6 Ų86.648%0.48156%0.561SS.*THydrogen-bonded Turntrans-110.3-9.1-179.9-75.1-68.4000115.3V420 T453 L458V420-H456 HydrophobicContact CG1-CB 4.41Å; V420-H456 WeakPolarHBondContact CG1-O 3.37Å; V420-H456 HydrophobicContact CG2-CB 4.08Å; T453-H456 PolarHBondContact O-N 2.61Å; H456-L458 PolarHBondContact O-N 2.96Å
457T40.6Very low49.6Very low94 Ų9492 Ų9258%0.57759%0.59SS**  trans-64.599.517651.90000111.8G459T457-G459 PolarHBondContact O-N 3.33Å
458L38.3Very low47.3Very low161 Ų16193.4 Ų93.484%0.84360%0.602SS**PPolyproline II helixtrans-63.4129.4164.6-84.2160.5000109.1H456H456-L458 PolarHBondContact O-N 2.96Å
459G33.7Very low44.5Very low70 Ų7099.3 Ų99.372%0.72263%0.628SS**PPolyproline II helixtrans-62.3149.7-179.800000112.6T457 A461T457-G459 PolarHBondContact O-N 3.33Å; G459-A461 PolarHBondContact O-N 3.31Å
460A31.7Very low42.3Very low110 Ų110105.3 Ų105.391%0.90967%0.665SS**PPolyproline II helixtrans-53.6129-176.200000113.2
461A27.3Very low39.9Very low93 Ų93106.4 Ų106.477%0.76969%0.69SS**PPolyproline II helixtrans-90.9155.8167.400000110.9G459G459-A461 PolarHBondContact O-N 3.31Å
462P29Very low37.5Very low114 Ų114107 Ų10774%0.7471%0.707SS**PPolyproline II helixtrans-74.9164.1-171.4-8.324.9000113.1S464P462-S464 PolarHBondContact O-N 3.47Å
463P30.9Very low35.6Very low133 Ų133106 Ų10686%0.86472%0.718SS**  trans-74.9114.4-176.730.5-34.3000112.1
464S27.8Very low33.2Very low116 Ų116117.7 Ų117.781%0.81176%0.761SS**  trans-132.377.4159.665.70000109.9P462P462-S464 PolarHBondContact O-N 3.47Å
465A27.8Very low31.9Very low106 Ų106121.2 Ų121.288%0.87677%0.772SS**  trans-81.9120.6170.500000110.1
466A27.8Very low30.6Very low96 Ų96123.7 Ų123.779%0.79377%0.767SS**  trans-148.7101.1162.100000108.4
467D29.5Very low29.7Very low114 Ų114124 Ų12461%0.6178%0.778SS**  trans-86129-179.5167.937.2000111.6T470D467-T470 PolarHBondContact OD2-N 3.04Å; D467-T470 PolarHBondContact OD2-OG1 2.99Å
468P30.7Very low28.9Very low103 Ų103125.6 Ų125.667%0.66979%0.788SS**  trans-102.1106159.934.6-22.6000111.6
469F25.6Very low28.3Very low200 Ų200122.1 Ų122.188%0.87778%0.782SS**SBendtrans92.663.8163.8-60.3-87.4000119.8
470T32.6Very low28Very low126 Ų126123.3 Ų123.377%0.77379%0.785SS**  -126.4119129.855.40000112.8D467D467-T470 PolarHBondContact OD2-N 3.04Å; D467-T470 PolarHBondContact OD2-OG1 2.99Å
471G29.2Very low27.7Very low77 Ų77124.4 Ų124.479%0.79478%0.776SS**  trans-131.489.7-177.300000113.6
472S27Very low27.7Very low131 Ų131125.6 Ų125.692%0.91677%0.769SS**  trans168137.1153.442.80000109.8
473G28.3Very low27.6Very low67 Ų67130.9 Ų130.969%0.69178%0.775SS**  cis156.3147-10.100000111.3
474R24.7Very low27.5Very low249 Ų249129.4 Ų129.494%0.9477%0.774SS**  trans161.5126.1150.7-92163.6-176.4-153.41114.3
475Y24.1Very low27.3Very low209 Ų209127 Ų12782%0.8277%0.767SS**  34.9134.5121.7-126.8-130.9000118.1
476I26.5Very low27.2Very low125 Ų125132.6 Ų132.664%0.64177%0.772SS**  cis-173.9-176.412.620.3167.2000107.9
477P31Very low27.3Very low109 Ų109131.7 Ų131.771%0.70877%0.772SS**  cis-119.8-174.7-34.826.3-3.6000110.9
478V24Very low27.2Very low129 Ų129130.9 Ų130.978%0.78278%0.781SS**  177.8134.183161.60000111.7
479A25.2Very low27.1Very low88 Ų88133 Ų13373%0.72779%0.787SS**  trans31.6131.1147.800000125.9
480A26.6Very low27.4Very low95 Ų95128.5 Ų128.579%0.78578%0.778SS**  trans75146.2132.400000119.8
481D26.8Very low27.1Very low132 Ų132131.8 Ų131.871%0.70678%0.782SS**  cis-151.9155.47.6-155.823.5000114.1
482N27.6Very low27.4Very low119 Ų119135.1 Ų135.164%0.63679%0.787SS**  trans37.4141.4149.3-84.7-50.5000122.2
483R26.9Very low27.3Very low225 Ų225132.1 Ų132.185%0.84978%0.776SS**  cis-169.8152.742.7-135.7167.3-156.6-174.45.8112.4
484A27.1Very low27.2Very low102 Ų102135.9 Ų135.984%0.84379%0.786SS**  trans26.6135.8155.300000120.7
485G25.1Very low27.4Very low65 Ų65128 Ų12867%0.6778%0.782SS**  cis141138.710.100000110
486F25.9Very low27.7Very low223 Ų223129.1 Ų129.198%0.97879%0.785SS**  trans169.4141.2141.6-101.8-76.2000108.2
487G28.5Very low28.3Very low78 Ų78126.9 Ų126.980%0.80477%0.769SS**  trans-92.8148.1-175.900000113.8
488A26.8Very low28.6Very low97 Ų97127.1 Ų127.180%0.80276%0.763SS**  trans-155.3127.4155.600000109.3
489D30.4Very low29.1Very low146 Ų146123.1 Ų123.178%0.78174%0.74SS**  trans-87.5128.1168.1164.916.9000109F491D489-F491 PolarHBondContact OD1-N 2.84Å
490P31.7Very low29.5Very low106 Ų106122.2 Ų122.269%0.68874%0.739SS**  trans-127.159.4175.741.1-26.1000113.9
491F25.5Very low29.8Very low196 Ų196123.4 Ų123.486%0.8674%0.742SS**  trans-128.566.2164.7-90.7-73.5000115.8D489D489-F491 PolarHBondContact OD1-N 2.84Å
492T35.8Very low29.9Very low147 Ų147120.7 Ų120.790%0.90274%0.744SS**  trans-133.7126.2151.856.50000111.9
493G24.9Very low30.1Very low67 Ų67121.7 Ų121.769%0.69176%0.755SS**  trans122.9134.8176.100000112.4
494T25.6Very low30.5Very low146 Ų146116.7 Ų116.790%0.89675%0.752SS**  cis-147.1172.4-1.543.10000110.4
495G29.6Very low30.9Very low83 Ų83118.9 Ų118.986%0.85676%0.755SS**PPolyproline II helixtrans-46.4131.4-160.700000119.1
496R31.1Very low31.1Very low234 Ų234119.3 Ų119.388%0.88376%0.759SS**PPolyproline II helixtrans-92.1118.9163.2-75.8-174.3174.8-170-1.1110.7
497Y37.6Very low31.2Very low78 Ų78113.5 Ų113.531%0.30675%0.752SS.*PPolyproline II helixtrans-77.2121.5166176.9-103.1000109.5P499 K554 F612Y497-P499 HydrophobicContact CD1-CG 4.29Å; Y497-P499 HydrophobicContact CE1-CG 3.66Å; Y497-K554 HydrophobicContact CE2-CB 4.48Å; Y497-F612 AromaticContact CD1-CE2 3.8Å; Y497-F612 HydrophobicContact CD1-CE2 3.8Å; Y497-F612 HydrophobicContact CD1-CZ 4.39Å; Y497-F612 HydrophobicContact CE1-CD2 4.45Å; Y497-F612 AromaticContact CE1-CE2 3.72Å; Y497-F612 HydrophobicContact CE1-CE2 3.72Å
498I38.8Very low31.7Very low113 Ų113115.6 Ų115.658%0.57975%0.752SS**  trans-128.2115.9173-58.5176000107G500I498-G500 PolarHBondContact O-N 3.08Å
499P32.9Very low31.7Very low46 Ų46117.5 Ų117.530%0.29975%0.753SS.*SBendtrans-68114.3176.2-18.330.5000111.5Y497Y497-P499 HydrophobicContact CD1-CG 4.29Å; Y497-P499 HydrophobicContact CE1-CG 3.66Å
500G33.8Very low31.6Very low68 Ų68114.4 Ų114.470%0.70176%0.755SS**SBendtrans84.275.3156.600000118.2I498I498-G500 PolarHBondContact O-N 3.08Å
501S34.2Very low31.5Very low121 Ų121114.1 Ų114.185%0.84676%0.762SS**  trans-157.397.5144.163.40000110.7
502G28.9Very low31.6Very low74 Ų74109.5 Ų109.576%0.76376%0.76SS**  trans-144120.6177.300000110.8
503T31.6Very low32Very low140 Ų140106.8 Ų106.886%0.85974%0.74SS**  trans-76128.5178.444.90000111.7
504P35.2Very low32.9Very low121 Ų121109.7 Ų109.779%0.78675%0.747SS**  trans-92.3127.4165.932.6-27.4000111.1
505T33.9Very low34Very low148 Ų148107.8 Ų107.891%0.90873%0.726SS**  trans-83.3110.4165.147.50000109.8
506G30.7Very low35Very low73 Ų73108.5 Ų108.575%0.75371%0.714SS**  trans138.4107172.700000114.3
507A27.2Very low35.1Very low101 Ų101101.3 Ų101.384%0.83571%0.713SS**  trans-85168.8164.600000110.4
508P38.7Very low34.9Very low122 Ų122101.8 Ų101.879%0.79274%0.741SS**  cis-115.9-176.34.239.5-22.7000111.8
509V27.8Very low34.6Very low138 Ų138100.1 Ų100.184%0.83675%0.753SS**  cis-137.9148.324.6177.30000109
510G28.6Very low34.5Very low80 Ų80102.3 Ų102.383%0.82577%0.774SS**PPolyproline II helixtrans-73.9131.6-16500000116.5
511A28.7Very low34.5Very low101 Ų101111.1 Ų111.184%0.83579%0.788SS**PPolyproline II helixtrans-101.2136.3152.100000108.4
512A28.5Very low34.3Very low99 Ų99110.5 Ų110.582%0.81878%0.784SS**PPolyproline II helixtrans-82.7144-175.100000112.6
513D42.6Very low34.5Very low90 Ų90112.6 Ų112.648%0.48179%0.787SS.*PPolyproline II helixtrans-77.1127.2169.1172.15.2000109.8F515 T516D513-F515 PolarHBondContact O-N 3.39Å; D513-F515 PolarHBondContact OD1-N 3.2Å; D513-T516 PolarHBondContact O-N 3.34Å; D513-T516 VanDerWaalsContact O-N 3.1Å
514P44.3Very low34.5Very low127 Ų127110.6 Ų110.683%0.82578%0.784SS**THydrogen-bonded Turntrans-53.6-18176.2-27.635.5000115.9
515F48.9Very low34.9Very low107 Ų107109.9 Ų109.947%0.46979%0.789SS.*THydrogen-bonded Turntrans-95.5-4.4179-90.9-87.6000115.8D513 F746D513-F515 PolarHBondContact O-N 3.39Å; D513-F515 PolarHBondContact OD1-N 3.2Å; F515-F746 HydrophobicContact CE1-CE1 4.26Å
516T50.5Low34.8Very low97 Ų97108 Ų10860%0.59578%0.782SS**  trans-138.384.7176.248.20000113.4D513 G518D513-T516 PolarHBondContact O-N 3.34Å; D513-T516 VanDerWaalsContact O-N 3.1Å; T516-G518 PolarHBondContact O-N 2.95Å
517G33.1Very low35.5Very low83 Ų83116.6 Ų116.686%0.85679%0.791SS**  trans-63.1115.1164.100000110.6G519G517-G519 PolarHBondContact O-N 3.2Å
518G33.3Very low36.2Very low88 Ų88120.4 Ų120.491%0.90779%0.792SS**SBendtrans-69.6113.8-173.900000113.3T516T516-G518 PolarHBondContact O-N 2.95Å
519G32.8Very low36.3Very low79 Ų79120.4 Ų120.481%0.81479%0.79SS**  trans165.463.5170.700000117.4G517G517-G519 PolarHBondContact O-N 3.2Å
520A32.1Very low37.6Very low92 Ų92117 Ų11776%0.7677%0.772SS**  trans-164.464.7162.300000114.1
521Y33.2Very low39.7Very low253 Ų253118.2 Ų118.299%0.99276%0.764SS**  trans-95.189151.2-92.5-83.6000108.2
522S29.9Very low42.5Very low107 Ų107116 Ų11675%0.74874%0.738SS**  trans-123.7123.2163.156.20000109.2
523S32Very low45.5Very low119 Ų119117.5 Ų117.583%0.83273%0.731SS**  trans-78.8139.9-178.940.90000111.8
524A33.6Very low48Very low97 Ų97115.2 Ų115.280%0.80272%0.716SS**SBendtrans68.3123.5161.300000119.6
525A42.7Very low50.4Low106 Ų106109.6 Ų109.688%0.87668%0.678SS**  trans56.884.2142.100000119
526S31.9Very low52.6Low109 Ų109107.3 Ų107.376%0.76267%0.674SS**  trans-146150.5140.5-167.90000110.9Q528S526-Q528 PolarHBondContact O-N 3.03Å
527R45.9Very low54.7Low253 Ų253105.8 Ų105.896%0.95566%0.659SS**  trans-68.397.2179.2-70.3172.6173.7160.2-4.3109.5
528Q40.8Very low57.4Low181 Ų181104.8 Ų104.885%0.84664%0.637SS**  trans-85.6118173.8-76.2179.3-29.500110.6S526 S530S526-Q528 PolarHBondContact O-N 3.03Å; Q528-S530 PolarHBondContact O-N 2.7Å
529T41.5Very low60Low123 Ų123105.2 Ų105.276%0.75562%0.618SS**  trans-55.2126.3155.2440000108.5T531T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 3.27Å
530S54Low62.6Low66 Ų66103.1 Ų103.146%0.46260%0.596SS.*  trans-64.687.9-178.663.20000111.4Q528 N532Q528-S530 PolarHBondContact O-N 2.7Å; S530-N532 PolarHBondContact O-N 3.01Å
531T74.4Confident65.5Low106 Ų10699.5 Ų99.565%0.6557%0.565SS**  trans-67.7119.6170.547.80000108.2T529 I533T529-T531 VanDerWaalsContact C-N 3.35Å; T529-T531 PolarHBondContact O-N 3.27Å; T531-I533 PolarHBondContact O-N 2.83Å
532N85.6Confident68.4Low54 Ų5489.1 Ų89.129%0.28953%0.528SS..  trans-68.5117.6179.1-170.2-7.7000109.9S530 Y534 F535 L793S530-N532 PolarHBondContact O-N 3.01Å; N532-Y534 PolarHBondContact OD1-N 3.24Å; N532-F535 VanDerWaalsContact CG-O 3.26Å; N532-F535 VanDerWaalsContact ND2-CD2 3.28Å; N532-F535 WeakPolarHBondContact ND2-CD2 3.2Å; N532-F535 WeakPolarHBondContact ND2-CE2 3.27Å; N532-F535 WeakPolarHBondContact ND2-CZ 3.5Å; N532-F535 PolarHBondContact ND2-O 3.06Å; N532-F535 VanDerWaalsContact ND2-O 3.12Å; N532-F535 PolarHBondContact OD1-N 3.18Å; N532-F535 PolarHBondContact OD1-O 3.33Å; N532-L793 HydrophobicContact CB-CD1 4.32Å; N532-L793 HydrophobicContact CB-CD2 4.13Å
533I92.3Very high71.5Confident130 Ų13085.2 Ų85.267%0.66750%0.498SS*.  trans-112.3-2.6177.962.1169.9000112.7T531T531-I533 PolarHBondContact O-N 2.83Å
534Y95Very high74.3Confident42 Ų4284.1 Ų84.117%0.16548%0.479CS..SBendtrans-99.9-35.8-170.1-63.7-55.1000113N532 F746 V750 K786 E789 C790 L793N532-Y534 PolarHBondContact OD1-N 3.24Å; Y534-F746 AromaticContact CD1-CE2 3.78Å; Y534-F746 HydrophobicContact CD1-CE2 3.78Å; Y534-F746 AromaticContact CD1-CZ 3.68Å; Y534-F746 HydrophobicContact CD1-CZ 3.68Å; Y534-F746 AromaticContact CE1-CE2 3.9Å; Y534-F746 HydrophobicContact CE1-CE2 3.9Å; Y534-F746 AromaticContact CE1-CZ 3.95Å; Y534-F746 HydrophobicContact CE1-CZ 3.95Å; Y534-F746 HydrophobicContact CG-CE2 4.3Å; Y534-F746 HydrophobicContact CG-CZ 4.49Å; Y534-V750 WeakPolarHBondContact O-CG1 3.41Å; Y534-K786 HydrophobicContact CE1-CB 4.14Å; Y534-K786 WeakPolarHBondContact OH-CA 3.41Å; Y534-E789 HydrophobicContact CE2-CB 3.84Å; Y534-E789 PolarHBondContact OH-OE2 2.92Å; Y534-C790 HydrophobicContact CD2-CB 3.64Å; Y534-C790 HydrophobicContact CE2-CB 4Å; Y534-C790 HydrophobicContact CG-CB 4.08Å; Y534-L793 HydrophobicContact CD2-CD1 3.77Å; Y534-L793 HydrophobicContact CE2-CD1 4.17Å
535F95.4Very high77Confident9 Ų987.8 Ų87.84%0.03948%0.48CS..  trans-150.5160.4-176.562.8-97.9000110.8N532 V750 G753 T754 A757 L793 V794 E797N532-F535 VanDerWaalsContact CG-O 3.26Å; N532-F535 VanDerWaalsContact ND2-CD2 3.28Å; N532-F535 WeakPolarHBondContact ND2-CD2 3.2Å; N532-F535 WeakPolarHBondContact ND2-CE2 3.27Å; N532-F535 WeakPolarHBondContact ND2-CZ 3.5Å; N532-F535 PolarHBondContact ND2-O 3.06Å; N532-F535 VanDerWaalsContact ND2-O 3.12Å; N532-F535 PolarHBondContact OD1-N 3.18Å; N532-F535 PolarHBondContact OD1-O 3.33Å; F535-V750 HydrophobicContact CB-CG1 4.23Å; F535-G753 VanDerWaalsContact CD2-O 3.31Å; F535-G753 WeakPolarHBondContact CD2-O 3.43Å; F535-T754 WeakPolarHBondContact CB-OG1 3.31Å; F535-A757 HydrophobicContact CD2-CB 4.09Å; F535-A757 HydrophobicContact CE2-CB 4.38Å; F535-L793 HydrophobicContact CE1-CB 3.87Å; F535-L793 HydrophobicContact CZ-CB 4Å; F535-V794 HydrophobicContact CD1-CG2 4.24Å; F535-V794 HydrophobicContact CE1-CB 4.45Å; F535-V794 HydrophobicContact CE1-CG2 3.48Å; F535-V794 VanDerWaalsContact CE1-CG2 3.48Å; F535-V794 HydrophobicContact CZ-CB 4.4Å; F535-V794 HydrophobicContact CZ-CG2 3.81Å; F535-E797 HydrophobicContact CE2-CG 3.84Å; F535-E797 HydrophobicContact CZ-CG 4.12Å
536P95.1Very high79.2Confident60 Ų6085.1 Ų85.139%0.3946%0.458SS..  cis-68.5139.60.729.2-35.4000113.2H717 T754 A757P536-H717 WeakPolarHBondContact CB-CE1 3.4Å; P536-T754 HydrophobicContact CB-CG2 4.1Å; P536-A757 HydrophobicContact CB-CB 4.17Å; P536-A757 HydrophobicContact CG-CB 4.38Å
537K93.3Very high82Confident64 Ų6483.3 Ų83.328%0.27844%0.439SS..  trans-112100.8175.3-176.857.4175.9173.90110.3D539 L710 G714 V750 T754K537-D539 IonicContact NZ-OD2 3.36Å; K537-D539 PolarHBondContact NZ-OD2 3.3Å; K537-L710 HydrophobicContact CB-CD1 4.34Å; K537-G714 WeakPolarHBondContact O-CA 3.39Å; K537-V750 HydrophobicContact CB-CG1 4.02Å; K537-T754 PolarHBondContact N-OG1 3.12Å
538T91.4Very high84.1Confident62 Ų6272.7 Ų72.738%0.3841%0.406SS..  trans-92.9-16.3-173.850.20000114.8H717T538-H717 HydrophobicContact CG2-CB 4.1Å
539D88Confident86.6Confident98 Ų9869.5 Ų69.552%0.52440%0.399SS..SBendtrans-79.8136.9178.3-42.3-56.8000110.6K537 V541K537-D539 IonicContact NZ-OD2 3.36Å; K537-D539 PolarHBondContact NZ-OD2 3.3Å; D539-V541 PolarHBondContact O-N 3.28Å
540G85.8Confident89.1Confident34 Ų3468.2 Ų68.235%0.35138%0.384SS..PPolyproline II helixtrans-63.9124.3174.700000111.5
541V93.8Very high91.1Very high16 Ų1665.1 Ų65.110%0.09736%0.363CS..PPolyproline II helixtrans-88.9129.5177.4-178.60000109.7D539 T707 L710 N711D539-V541 PolarHBondContact O-N 3.28Å; V541-T707 HydrophobicContact CB-CG2 3.79Å; V541-T707 HydrophobicContact CG1-CG2 3.75Å; V541-T707 WeakPolarHBondContact O-CG2 3.39Å; V541-L710 HydrophobicContact CG2-CD2 3.98Å; V541-N711 PolarHBondContact N-OD1 3.24Å; V541-N711 PolarHBondContact O-ND2 3.22Å
542T94.1Very high92.1Very high36 Ų3660.3 Ų60.322%0.22133%0.333CS..  trans-118.1159.6-166.850.50000113E544 N668 S671T542-E544 WeakPolarHBondContact CB-OE1 3.2Å; T542-E544 WeakPolarHBondContact OG1-CG 3.16Å; T542-E544 PolarHBondContact OG1-OE1 2.96Å; T542-N668 VanDerWaalsContact CA-OD1 3.28Å; T542-N668 WeakPolarHBondContact CA-OD1 3.43Å; T542-N668 WeakPolarHBondContact CB-OD1 3.46Å; T542-S671 VanDerWaalsContact CG2-OG 3.31Å; T542-S671 WeakPolarHBondContact CG2-OG 3.35Å
543F95Very high92.6Very high25 Ų2560.6 Ų60.611%0.1134%0.342CS..  trans-10990.5172.8-70.5-84.7000109.9R619 R664 C667 N668 I703 A704 T707F543-R619 PolarHBondContact O-NH1 3.23Å; F543-R664 HydrophobicContact CB-CB 4.18Å; F543-R664 HydrophobicContact CB-CG 4.03Å; F543-R664 HydrophobicContact CD1-CG 3.96Å; F543-R664 HydrophobicContact CD2-CB 4Å; F543-R664 HydrophobicContact CD2-CG 3.62Å; F543-R664 HydrophobicContact CE1-CG 4.34Å; F543-R664 HydrophobicContact CE2-CG 4.01Å; F543-R664 HydrophobicContact CG-CB 4.13Å; F543-R664 HydrophobicContact CG-CG 3.58Å; F543-R664 HydrophobicContact CZ-CG 4.36Å; F543-C667 HydrophobicContact CD2-CB 3.88Å; F543-C667 HydrophobicContact CE2-CB 3.93Å; F543-N668 PolarHBondContact N-OD1 3.15Å; F543-N668 PolarHBondContact O-ND2 3.39Å; F543-I703 HydrophobicContact CE1-CG2 4.13Å; F543-I703 HydrophobicContact CZ-CG2 4.16Å; F543-A704 HydrophobicContact CE2-CB 4.29Å; F543-A704 HydrophobicContact CZ-CB 4.14Å; F543-T707 HydrophobicContact CE2-CG2 3.71Å; F543-T707 HydrophobicContact CZ-CG2 4.15Å; F543-T707 WeakPolarHBondContact CZ-OG1 3.29Å
544E91.5Very high92.8Very high95 Ų9556 Ų5644%0.44432%0.318SS..  trans-101.4-26.1-168.6-38.4-156.5141.500113.3T542 A546 L620 R623T542-E544 WeakPolarHBondContact CB-OE1 3.2Å; T542-E544 WeakPolarHBondContact OG1-CG 3.16Å; T542-E544 PolarHBondContact OG1-OE1 2.96Å; E544-A546 PolarHBondContact O-N 3.25Å; E544-L620 WeakPolarHBondContact O-CD2 3.42Å; E544-R623 IonicContact OE1-CZ 2.74Å; E544-R623 IonicContact OE1-NE 2.62Å; E544-R623 PolarHBondContact OE1-NE 3.23Å; E544-R623 IonicContact OE1-NH2 2.72Å; E544-R623 PolarHBondContact OE1-NH2 3.47Å; E544-R623 IonicContact OE2-CZ 3.14Å; E544-R623 IonicContact OE2-NH2 2.71Å; E544-R623 PolarHBondContact OE2-NH2 2.86Å
545Q89.3Confident92.9Very high174 Ų17454 Ų5481%0.81331%0.31SS*.  trans-60.2129.6-178.2-66.3177.2-2.100111.1R619Q545-R619 PolarHBondContact O-NH1 3.18Å; Q545-R619 PolarHBondContact O-NH2 2.93Å
546A88.4Confident93Very high50 Ų5057.2 Ų57.241%0.41332%0.322SS..  trans-152157.3-176.600000111.3E544 I551 L620E544-A546 PolarHBondContact O-N 3.25Å; A546-I551 HydrophobicContact CB-CD1 4.25Å; A546-L620 HydrophobicContact CB-CD1 3.45Å; A546-L620 VanDerWaalsContact CB-CD1 3.45Å; A546-L620 HydrophobicContact CB-CD2 3.91Å; A546-L620 HydrophobicContact CB-CG 4.33Å
547N91Very high93Very high71 Ų7160 Ų6038%0.3833%0.33SS..  trans-12896.4163.7-178.2-42.1000107.1T549 Q550 I551N547-T549 PolarHBondContact O-N 2.89Å; N547-T549 PolarHBondContact OD1-N 3.36Å; N547-Q550 HydrophobicContact CB-CB 4.09Å; N547-Q550 HydrophobicContact CB-CG 4.24Å; N547-Q550 PolarHBondContact O-N 3.34Å; N547-Q550 VanDerWaalsContact O-N 3.08Å; N547-Q550 PolarHBondContact OD1-N 3.37Å; N547-I551 WeakPolarHBondContact O-CG1 3.42Å; N547-I551 PolarHBondContact O-N 2.87Å
548A90.9Very high93.1Very high31 Ų3158.2 Ų58.226%0.25632%0.323SS..Hα-helixtrans-57-39.2-173.400000112.3Q550 I551 M552 L580A548-Q550 PolarHBondContact O-N 2.89Å; A548-I551 PolarHBondContact O-N 3.4Å; A548-M552 WeakPolarHBondContact O-CB 3.49Å; A548-M552 WeakPolarHBondContact O-CG 3.13Å; A548-M552 PolarHBondContact O-N 3.18Å; A548-L580 HydrophobicContact CB-CD2 3.76Å; A548-L580 HydrophobicContact CB-CG 3.98Å
549T92.7Very high93.3Very high113 Ų11355.8 Ų55.869%0.69331%0.308SS*.Hα-helixtrans-61.6-42.4176.7-46.30000112.3N547 A553N547-T549 PolarHBondContact O-N 2.89Å; N547-T549 PolarHBondContact OD1-N 3.36Å; T549-A553 WeakPolarHBondContact O-CB 3.48Å; T549-A553 PolarHBondContact O-N 2.66Å
550Q94.6Very high93.5Very high96 Ų9653.7 Ų53.745%0.44931%0.309SS..Hα-helixtrans-70.1-40.1177.3-73.2180-8.300112.5N547 A548 A553 K554N547-Q550 HydrophobicContact CB-CB 4.09Å; N547-Q550 HydrophobicContact CB-CG 4.24Å; N547-Q550 PolarHBondContact O-N 3.34Å; N547-Q550 VanDerWaalsContact O-N 3.08Å; N547-Q550 PolarHBondContact OD1-N 3.37Å; A548-Q550 PolarHBondContact O-N 2.89Å; Q550-A553 PolarHBondContact O-N 2.98Å; Q550-K554 WeakPolarHBondContact O-CB 2.99Å; Q550-K554 PolarHBondContact O-N 2.91Å
551I95.1Very high93.7Very high2 Ų255.3 Ų55.31%0.0133%0.325CS..Hα-helixtrans-60.3-50.3175.8-66.1168.6000109.8A546 N547 A548 K554 L555 L580 D616 I617 L620A546-I551 HydrophobicContact CB-CD1 4.25Å; N547-I551 WeakPolarHBondContact O-CG1 3.42Å; N547-I551 PolarHBondContact O-N 2.87Å; A548-I551 PolarHBondContact O-N 3.4Å; I551-K554 PolarHBondContact O-N 2.96Å; I551-L555 WeakPolarHBondContact O-CB 3.28Å; I551-L555 PolarHBondContact O-N 3.04Å; I551-L580 HydrophobicContact CB-CD2 4.11Å; I551-L580 HydrophobicContact CG2-CD2 3.95Å; I551-D616 HydrophobicContact CD1-CB 4.25Å; I551-D616 HydrophobicContact CG1-CB 4.3Å; I551-D616 HydrophobicContact CG2-CB 4.35Å; I551-I617 HydrophobicContact CG2-CD1 4.21Å; I551-I617 HydrophobicContact CG2-CG1 3.62Å; I551-L620 HydrophobicContact CD1-CD1 3.91Å
552M96.4Very high93.5Very high5 Ų554.6 Ų54.63%0.02532%0.322CS..Hα-helixtrans-66.6-39.3178.8-70.8-54.2-50.500112.9A548 K554 L555 R556 E577 L580 I617A548-M552 WeakPolarHBondContact O-CB 3.49Å; A548-M552 WeakPolarHBondContact O-CG 3.13Å; A548-M552 PolarHBondContact O-N 3.18Å; M552-K554 VanDerWaalsContact C-N 3.33Å; M552-K554 PolarHBondContact O-N 2.98Å; M552-L555 HydrophobicContact CE-CD2 4Å; M552-L555 PolarHBondContact O-N 2.95Å; M552-L555 HydrophobicContact SD-CD2 4.14Å; M552-R556 WeakPolarHBondContact O-CB 3.29Å; M552-R556 VanDerWaalsContact O-CG 3.25Å; M552-R556 WeakPolarHBondContact O-CG 3.47Å; M552-R556 PolarHBondContact O-N 2.89Å; M552-E577 HydrophobicContact CE-CB 3.74Å; M552-E577 HydrophobicContact CE-CG 4.25Å; M552-E577 HydrophobicContact CG-CB 4.3Å; M552-E577 HydrophobicContact CG-CG 3.97Å; M552-E577 HydrophobicContact SD-CB 3.97Å; M552-E577 HydrophobicContact SD-CG 4.32Å; M552-L580 HydrophobicContact CG-CD2 3.95Å; M552-L580 HydrophobicContact SD-CD2 4.17Å; M552-I617 HydrophobicContact SD-CD1 4.16Å
553A95.9Very high93.2Very high59 Ų5956 Ų5649%0.48833%0.331SS..Hα-helixtrans-59.5-44.5174.100000111.3T549 Q550 R556 E557T549-A553 WeakPolarHBondContact O-CB 3.48Å; T549-A553 PolarHBondContact O-N 2.66Å; Q550-A553 PolarHBondContact O-N 2.98Å; A553-R556 PolarHBondContact O-N 3.37Å; A553-E557 WeakPolarHBondContact O-CB 3.42Å; A553-E557 PolarHBondContact O-N 3.27Å
554K96.7Very high92.8Very high34 Ų3458 Ų5815%0.14836%0.359CS..Hα-helixtrans-71.4-36.4179.1-166.251.5165.2-178.20112.7Y497 Q550 I551 M552 E557 L558 F612 P613Y497-K554 HydrophobicContact CE2-CB 4.48Å; Q550-K554 WeakPolarHBondContact O-CB 2.99Å; Q550-K554 PolarHBondContact O-N 2.91Å; I551-K554 PolarHBondContact O-N 2.96Å; M552-K554 VanDerWaalsContact C-N 3.33Å; M552-K554 PolarHBondContact O-N 2.98Å; K554-E557 HydrophobicContact CD-CB 4.4Å; K554-E557 WeakPolarHBondContact CD-OE2 3.26Å; K554-E557 IonicContact NZ-OE1 3.63Å; K554-E557 PolarHBondContact NZ-OE1 2.9Å; K554-E557 IonicContact NZ-OE2 3.33Å; K554-E557 PolarHBondContact NZ-OE2 3.02Å; K554-E557 PolarHBondContact O-N 3.43Å; K554-L558 HydrophobicContact CD-CD1 4.48Å; K554-L558 HydrophobicContact CD-CG 4.3Å; K554-L558 HydrophobicContact CG-CD1 4.35Å; K554-L558 WeakPolarHBondContact O-CG 3.31Å; K554-L558 PolarHBondContact O-N 3.46Å; K554-F612 HydrophobicContact CD-CZ 4.35Å; K554-F612 HydrophobicContact CG-CE2 3.85Å; K554-F612 HydrophobicContact CG-CZ 3.78Å; K554-P613 HydrophobicContact CB-CG 4.28Å; K554-P613 HydrophobicContact CG-CG 3.97Å
555L96.4Very high92.6Very high0 Ų061.2 Ų61.20%037%0.374CS..Hα-helixtrans-60.1-46.9172.5-179.957.7000111.3I551 M552 L558 N559 L573 L576 W606 P613 V614 I617I551-L555 WeakPolarHBondContact O-CB 3.28Å; I551-L555 PolarHBondContact O-N 3.04Å; M552-L555 HydrophobicContact CE-CD2 4Å; M552-L555 PolarHBondContact O-N 2.95Å; M552-L555 HydrophobicContact SD-CD2 4.14Å; L555-L558 PolarHBondContact O-N 3.38Å; L555-N559 VanDerWaalsContact O-CB 3.28Å; L555-N559 WeakPolarHBondContact O-CB 3.17Å; L555-N559 PolarHBondContact O-N 2.94Å; L555-L573 HydrophobicContact CD2-CD2 3.88Å; L555-L573 HydrophobicContact CG-CD2 3.77Å; L555-L576 HydrophobicContact CD2-CD1 4.03Å; L555-W606 HydrophobicContact CD1-CE3 4.45Å; L555-W606 HydrophobicContact CD1-CH2 3.95Å; L555-W606 HydrophobicContact CD1-CZ3 3.64Å; L555-P613 HydrophobicContact CB-CB 3.89Å; L555-P613 HydrophobicContact CD1-CB 4.35Å; L555-V614 HydrophobicContact CD1-CG2 3.66Å; L555-I617 HydrophobicContact CD2-CD1 3.98Å
556R97.1Very high92.5Very high77 Ų7757 Ų5729%0.29135%0.351SS..Hα-helixtrans-65.1-41178.2-70.4172.6179.1-764112.3M552 A553 N559 G560 E570 L573 E577M552-R556 WeakPolarHBondContact O-CB 3.29Å; M552-R556 VanDerWaalsContact O-CG 3.25Å; M552-R556 WeakPolarHBondContact O-CG 3.47Å; M552-R556 PolarHBondContact O-N 2.89Å; A553-R556 PolarHBondContact O-N 3.37Å; R556-N559 PolarHBondContact O-N 2.92Å; R556-G560 PolarHBondContact O-N 3.25Å; R556-G560 VanDerWaalsContact O-N 3.15Å; R556-E570 IonicContact CZ-OE2 3.69Å; R556-E570 VanDerWaalsContact NH1-CD 3.31Å; R556-E570 IonicContact NH1-OE1 3.19Å; R556-E570 PolarHBondContact NH1-OE1 3.4Å; R556-E570 IonicContact NH1-OE2 2.67Å; R556-E570 PolarHBondContact NH1-OE2 3.01Å; R556-E570 IonicContact NH2-OE2 2.76Å; R556-L573 HydrophobicContact CG-CD1 4.24Å; R556-L573 HydrophobicContact CG-CD2 4.37Å; R556-E577 IonicContact CZ-OE2 3.64Å; R556-E577 IonicContact NE-OE2 3.84Å; R556-E577 IonicContact NH2-OE2 3.62Å; R556-E577 PolarHBondContact NH2-OE2 2.8Å
557E96.1Very high92.7Very high118 Ų11861.4 Ų61.455%0.55136%0.357SS*.Hα-helixtrans-56.9-52.1174.4-170.2-154.212600111.6A553 K554 G560A553-E557 WeakPolarHBondContact O-CB 3.42Å; A553-E557 PolarHBondContact O-N 3.27Å; K554-E557 HydrophobicContact CD-CB 4.4Å; K554-E557 WeakPolarHBondContact CD-OE2 3.26Å; K554-E557 IonicContact NZ-OE1 3.63Å; K554-E557 PolarHBondContact NZ-OE1 2.9Å; K554-E557 IonicContact NZ-OE2 3.33Å; K554-E557 PolarHBondContact NZ-OE2 3.02Å; K554-E557 PolarHBondContact O-N 3.43Å; E557-G560 PolarHBondContact O-N 3.21Å
558L95.5Very high92.8Very high27 Ų2759.3 Ų59.314%0.14135%0.346CS..Hα-helixtrans-71.8-32.7-178.5-60.9-179.8000112.3K554 L555 G560 G561 A562 I610 F612 P613K554-L558 HydrophobicContact CD-CD1 4.48Å; K554-L558 HydrophobicContact CD-CG 4.3Å; K554-L558 HydrophobicContact CG-CD1 4.35Å; K554-L558 WeakPolarHBondContact O-CG 3.31Å; K554-L558 PolarHBondContact O-N 3.46Å; L555-L558 PolarHBondContact O-N 3.38Å; L558-G560 VanDerWaalsContact C-N 3.29Å; L558-G560 PolarHBondContact O-N 3.45Å; L558-G561 CarbonylContact O-C 3.56Å; L558-G561 PolarHBondContact O-N 3.44Å; L558-G561 VanDerWaalsContact O-N 3.14Å; L558-A562 PolarHBondContact O-N 3.06Å; L558-I610 HydrophobicContact CB-CB 4.17Å; L558-I610 HydrophobicContact CB-CG2 4.12Å; L558-I610 HydrophobicContact CD1-CB 4.22Å; L558-I610 HydrophobicContact CD1-CG2 4.35Å; L558-I610 HydrophobicContact CD2-CG2 4.28Å; L558-I610 HydrophobicContact CG-CG2 4.48Å; L558-F612 HydrophobicContact CD1-CD1 4.26Å; L558-F612 HydrophobicContact CD1-CE1 3.49Å; L558-F612 VanDerWaalsContact CD1-CE1 3.49Å; L558-F612 HydrophobicContact CD1-CZ 3.76Å; L558-P613 HydrophobicContact CD1-CG 3.8Å
559N95.7Very high93Very high11 Ų1160.6 Ų60.66%0.05935%0.353CS..Hα-helixtrans-60.9-36.9173.8-168.654.1000112.7L555 R556 G561 A562 L568 W606L555-N559 VanDerWaalsContact O-CB 3.28Å; L555-N559 WeakPolarHBondContact O-CB 3.17Å; L555-N559 PolarHBondContact O-N 2.94Å; R556-N559 PolarHBondContact O-N 2.92Å; N559-G561 VanDerWaalsContact C-N 3.26Å; N559-G561 PolarHBondContact O-N 3.35Å; N559-A562 WeakPolarHBondContact O-CB 3.44Å; N559-A562 PolarHBondContact O-N 3.26Å; N559-L568 PolarHBondContact ND2-O 3.02Å; N559-L568 WeakPolarHBondContact OD1-CB 3.5Å; N559-L568 PolarHBondContact OD1-N 3.41Å; N559-W606 HydrophobicContact CB-CH2 3.88Å; N559-W606 HydrophobicContact CB-CZ2 4.45Å; N559-W606 WeakPolarHBondContact OD1-CZ2 3.49Å
560G92Very high93Very high54 Ų5461.1 Ų61.156%0.55735%0.348SS*.Hα-helixtrans-61.5-34.6175.300000113R556 E557 L558R556-G560 PolarHBondContact O-N 3.25Å; R556-G560 VanDerWaalsContact O-N 3.15Å; E557-G560 PolarHBondContact O-N 3.21Å; L558-G560 VanDerWaalsContact C-N 3.29Å; L558-G560 PolarHBondContact O-N 3.45Å
561G89.1Confident93Very high67 Ų6764.5 Ų64.569%0.69136%0.363SS*.Hα-helixtrans-87.4-9.5174.900000115.2L558 N559L558-G561 CarbonylContact O-C 3.56Å; L558-G561 PolarHBondContact O-N 3.44Å; L558-G561 VanDerWaalsContact O-N 3.14Å; N559-G561 VanDerWaalsContact C-N 3.26Å; N559-G561 PolarHBondContact O-N 3.35Å
562A90.2Very high93Very high2 Ų265.8 Ų65.82%0.01737%0.371CS..SBendtrans-65.8146.5-172.200000112.7L558 N559 R567 W606 I610L558-A562 PolarHBondContact O-N 3.06Å; N559-A562 WeakPolarHBondContact O-CB 3.44Å; N559-A562 PolarHBondContact O-N 3.26Å; A562-R567 PolarHBondContact O-NE 3.45Å; A562-R567 PolarHBondContact O-NH2 3.46Å; A562-W606 HydrophobicContact CB-CZ2 4.28Å; A562-I610 HydrophobicContact CB-CD1 3.88Å
563P88.6Confident93Very high64 Ų6465.6 Ų65.642%0.41637%0.37SS..  trans-57.1152170.6-21.332000111.8E565 Y566 R567P563-E565 PolarHBondContact O-N 2.9Å; P563-E565 VanDerWaalsContact O-N 3.11Å; P563-Y566 HydrophobicContact CB-CD2 4.18Å; P563-Y566 HydrophobicContact CG-CD2 4.23Å; P563-Y566 PolarHBondContact O-N 3.22Å; P563-R567 PolarHBondContact O-N 3.48Å
564G85.9Confident92.9Very high68 Ų6863.9 Ų63.970%0.70136%0.359SS*.THydrogen-bonded Turntrans-57.7-30.8-170.900000115.2
565E86.8Confident92.9Very high162 Ų16263.8 Ų63.876%0.75736%0.362SS*.THydrogen-bonded Turntrans-76.1-22.4177.770.3-166158.500113.9P563P563-E565 PolarHBondContact O-N 2.9Å; P563-E565 VanDerWaalsContact O-N 3.11Å
566Y86.5Confident92.9Very high86 Ų8663.8 Ų63.834%0.33736%0.362SS..THydrogen-bonded Turntrans-102-15.1179.7-66.5-66.9000113.2P563 L568 W606 P607P563-Y566 HydrophobicContact CB-CD2 4.18Å; P563-Y566 HydrophobicContact CG-CD2 4.23Å; P563-Y566 PolarHBondContact O-N 3.22Å; Y566-L568 WeakPolarHBondContact O-CD2 3.4Å; Y566-L568 PolarHBondContact O-N 2.86Å; Y566-W606 AromaticContact CD1-CD1 3.83Å; Y566-W606 WeakPolarHBondContact O-CZ2 3.24Å; Y566-W606 PolarHBondContact O-NE1 2.98Å; Y566-P607 HydrophobicContact CD1-CG 4.33Å; Y566-P607 HydrophobicContact CD2-CG 3.57Å; Y566-P607 HydrophobicContact CE1-CG 4.35Å; Y566-P607 HydrophobicContact CE2-CG 3.63Å; Y566-P607 HydrophobicContact CG-CG 3.96Å
567R92.6Very high92.8Very high143 Ų14363.6 Ų63.654%0.5436%0.364SS..PPolyproline II helixtrans-63.3119.5-176.9-173.5173.6-63.21733.1111.9A562 P563A562-R567 PolarHBondContact O-NE 3.45Å; A562-R567 PolarHBondContact O-NH2 3.46Å; P563-R567 PolarHBondContact O-N 3.48Å
568L93.6Very high92.6Very high27 Ų2764.2 Ų64.214%0.14137%0.365CS..PPolyproline II helixtrans-80.4146178.4-49.2-180000110.8N559 Y566 V572 L573 L576 T603 W606N559-L568 PolarHBondContact ND2-O 3.02Å; N559-L568 WeakPolarHBondContact OD1-CB 3.5Å; N559-L568 PolarHBondContact OD1-N 3.41Å; Y566-L568 WeakPolarHBondContact O-CD2 3.4Å; Y566-L568 PolarHBondContact O-N 2.86Å; L568-V572 HydrophobicContact CB-CB 4.19Å; L568-V572 HydrophobicContact CB-CG1 3.73Å; L568-V572 HydrophobicContact CD1-CG1 3.91Å; L568-V572 HydrophobicContact CD2-CG1 4.02Å; L568-V572 HydrophobicContact CG-CG1 4.05Å; L568-L573 HydrophobicContact CB-CD2 4.45Å; L568-L573 HydrophobicContact CB-CG 4.25Å; L568-L573 HydrophobicContact CD1-CD2 4.19Å; L568-L576 HydrophobicContact CD1-CD1 4.23Å; L568-T603 HydrophobicContact CD1-CG2 3.83Å; L568-T603 HydrophobicContact CD2-CG2 3.58Å; L568-T603 HydrophobicContact CG-CG2 4.37Å; L568-W606 HydrophobicContact CD1-CH2 4.2Å; L568-W606 HydrophobicContact CD1-CZ2 3.76Å; L568-W606 HydrophobicContact CD2-CZ2 4.23Å; L568-W606 HydrophobicContact CG-CH2 4.42Å; L568-W606 HydrophobicContact CG-CZ2 3.61Å
569S94.8Very high92.5Very high57 Ų5763 Ų6340%0.39936%0.359SS..PPolyproline II helixtrans-75.7161.9169.665.70000111.5E571 V572 L573S569-E571 PolarHBondContact O-N 2.89Å; S569-V572 WeakPolarHBondContact O-CB 3.16Å; S569-V572 PolarHBondContact O-N 2.92Å; S569-V572 VanDerWaalsContact O-N 3.13Å; S569-V572 WeakPolarHBondContact OG-CG2 3.47Å; S569-V572 PolarHBondContact OG-N 2.94Å; S569-L573 WeakPolarHBondContact O-CG 3.21Å; S569-L573 PolarHBondContact O-N 2.85Å
570E94.1Very high92.4Very high125 Ų12562.5 Ų62.558%0.58436%0.356SS*.Hα-helixtrans-61.1-30.2173-77.9-61.3137.500112.9R556 L573 G574R556-E570 IonicContact CZ-OE2 3.69Å; R556-E570 VanDerWaalsContact NH1-CD 3.31Å; R556-E570 IonicContact NH1-OE1 3.19Å; R556-E570 PolarHBondContact NH1-OE1 3.4Å; R556-E570 IonicContact NH1-OE2 2.67Å; R556-E570 PolarHBondContact NH1-OE2 3.01Å; R556-E570 IonicContact NH2-OE2 2.76Å; E570-L573 PolarHBondContact O-N 2.91Å; E570-L573 WeakPolarHBondContact OE1-CD1 3.35Å; E570-G574 PolarHBondContact O-N 3.11Å
571E94.8Very high92.3Very high167 Ų16763.8 Ų63.878%0.7835%0.353SS*.Hα-helixtrans-63.6-43.7172.7-62.1173.7166.800111.6S569 G574 S575S569-E571 PolarHBondContact O-N 2.89Å; E571-G574 PolarHBondContact O-N 2.81Å; E571-S575 WeakPolarHBondContact O-CB 3.45Å; E571-S575 PolarHBondContact O-N 3.13Å
572V94.3Very high92.3Very high29 Ų2961.2 Ų61.218%0.17632%0.324CS..Hα-helixtrans-65.7-45.1176.2162.20000111.2L568 S569 G574 S575 L576 L599 T603L568-V572 HydrophobicContact CB-CB 4.19Å; L568-V572 HydrophobicContact CB-CG1 3.73Å; L568-V572 HydrophobicContact CD1-CG1 3.91Å; L568-V572 HydrophobicContact CD2-CG1 4.02Å; L568-V572 HydrophobicContact CG-CG1 4.05Å; S569-V572 WeakPolarHBondContact O-CB 3.16Å; S569-V572 PolarHBondContact O-N 2.92Å; S569-V572 VanDerWaalsContact O-N 3.13Å; S569-V572 WeakPolarHBondContact OG-CG2 3.47Å; S569-V572 PolarHBondContact OG-N 2.94Å; V572-G574 PolarHBondContact O-N 3.42Å; V572-S575 WeakPolarHBondContact O-CB 3.43Å; V572-S575 PolarHBondContact O-N 3.01Å; V572-L576 HydrophobicContact CG1-CD1 4.3Å; V572-L576 WeakPolarHBondContact O-CG 3.28Å; V572-L576 PolarHBondContact O-N 2.73Å; V572-L599 HydrophobicContact CB-CD1 4.36Å; V572-L599 HydrophobicContact CB-CD2 4.23Å; V572-L599 HydrophobicContact CG1-CD1 3.75Å; V572-L599 HydrophobicContact CG1-CD2 3.93Å; V572-L599 HydrophobicContact CG1-CG 4.04Å; V572-L599 HydrophobicContact CG2-CD1 3.81Å; V572-L599 HydrophobicContact CG2-CD2 4.13Å; V572-T603 HydrophobicContact CG1-CG2 4.5Å
573L95.9Very high92.3Very high0 Ų061.7 Ų61.70%033%0.327CS..Hα-helixtrans-61.4-44177.1-70.5167.4000111.5L555 R556 L568 S569 E570 S575 L576 E577L555-L573 HydrophobicContact CD2-CD2 3.88Å; L555-L573 HydrophobicContact CG-CD2 3.77Å; R556-L573 HydrophobicContact CG-CD1 4.24Å; R556-L573 HydrophobicContact CG-CD2 4.37Å; L568-L573 HydrophobicContact CB-CD2 4.45Å; L568-L573 HydrophobicContact CB-CG 4.25Å; L568-L573 HydrophobicContact CD1-CD2 4.19Å; S569-L573 WeakPolarHBondContact O-CG 3.21Å; S569-L573 PolarHBondContact O-N 2.85Å; E570-L573 PolarHBondContact O-N 2.91Å; E570-L573 WeakPolarHBondContact OE1-CD1 3.35Å; L573-S575 VanDerWaalsContact C-N 3.32Å; L573-S575 PolarHBondContact O-N 2.85Å; L573-L576 PolarHBondContact O-N 2.8Å; L573-E577 WeakPolarHBondContact O-CB 3.42Å; L573-E577 PolarHBondContact O-N 2.82Å
574G95.3Very high92.1Very high24 Ų2461.2 Ų61.225%0.24733%0.325CS..Hα-helixtrans-65.4-32.4174.600000113.5E570 E571 V572 E577 K578E570-G574 PolarHBondContact O-N 3.11Å; E571-G574 PolarHBondContact O-N 2.81Å; V572-G574 PolarHBondContact O-N 3.42Å; G574-E577 PolarHBondContact O-N 2.88Å; G574-K578 WeakPolarHBondContact O-CG 3.17Å; G574-K578 PolarHBondContact O-N 3.42Å
575S95.6Very high91.9Very high31 Ų3161.6 Ų61.622%0.21731%0.311CS..Hα-helixtrans-68.5-43.4175-169.80000112.2E571 V572 L573 K578 L579 Q596E571-S575 WeakPolarHBondContact O-CB 3.45Å; E571-S575 PolarHBondContact O-N 3.13Å; V572-S575 WeakPolarHBondContact O-CB 3.43Å; V572-S575 PolarHBondContact O-N 3.01Å; L573-S575 VanDerWaalsContact C-N 3.32Å; L573-S575 PolarHBondContact O-N 2.85Å; S575-K578 PolarHBondContact O-N 2.73Å; S575-L579 PolarHBondContact O-N 3.4Å; S575-Q596 PolarHBondContact O-NE2 3.31Å; S575-Q596 WeakPolarHBondContact OG-CG 3.42Å
576L95.8Very high90.8Very high0 Ų060.2 Ų60.20%032%0.316CS..Hα-helixtrans-66.1-35.6172.7-68.5175.1000112.4L555 L568 V572 L573 L579 L580 L599 L600 T603 I617L555-L576 HydrophobicContact CD2-CD1 4.03Å; L568-L576 HydrophobicContact CD1-CD1 4.23Å; V572-L576 HydrophobicContact CG1-CD1 4.3Å; V572-L576 WeakPolarHBondContact O-CG 3.28Å; V572-L576 PolarHBondContact O-N 2.73Å; L573-L576 PolarHBondContact O-N 2.8Å; L576-L579 PolarHBondContact O-N 3.41Å; L576-L580 WeakPolarHBondContact O-CB 3.5Å; L576-L580 PolarHBondContact O-N 3.15Å; L576-L599 HydrophobicContact CD2-CG 4.4Å; L576-L599 HydrophobicContact CG-CD2 4.49Å; L576-L600 HydrophobicContact CD2-CB 4.07Å; L576-L600 HydrophobicContact CD2-CD1 4.31Å; L576-T603 HydrophobicContact CD1-CG2 4.37Å; L576-I617 HydrophobicContact CB-CD1 4.32Å
577E95.1Very high89.7Confident73 Ų7361.6 Ų61.634%0.34134%0.337SS..Hα-helixtrans-64.8-45.6175.7-170.3155.5-172.600111.6M552 R556 L573 G574 L580 V581M552-E577 HydrophobicContact CE-CB 3.74Å; M552-E577 HydrophobicContact CE-CG 4.25Å; M552-E577 HydrophobicContact CG-CB 4.3Å; M552-E577 HydrophobicContact CG-CG 3.97Å; M552-E577 HydrophobicContact SD-CB 3.97Å; M552-E577 HydrophobicContact SD-CG 4.32Å; R556-E577 IonicContact CZ-OE2 3.64Å; R556-E577 IonicContact NE-OE2 3.84Å; R556-E577 IonicContact NH2-OE2 3.62Å; R556-E577 PolarHBondContact NH2-OE2 2.8Å; L573-E577 WeakPolarHBondContact O-CB 3.42Å; L573-E577 PolarHBondContact O-N 2.82Å; G574-E577 PolarHBondContact O-N 2.88Å; E577-L580 PolarHBondContact O-N 3.08Å; E577-V581 WeakPolarHBondContact O-CG2 3.34Å; E577-V581 PolarHBondContact O-N 3.02Å
578K92.8Very high88.8Confident132 Ų13256.1 Ų56.157%0.57432%0.322SS*.Hα-helixtrans-60.2-44.4172.6-74.3179.6178.8-168.50112.4G574 S575 V581 S582G574-K578 WeakPolarHBondContact O-CG 3.17Å; G574-K578 PolarHBondContact O-N 3.42Å; S575-K578 PolarHBondContact O-N 2.73Å; K578-V581 PolarHBondContact O-N 3.46Å; K578-S582 PolarHBondContact O-N 2.99Å; K578-S582 PolarHBondContact O-OG 2.68Å
579L94Very high87.5Confident0 Ų060.8 Ų60.80%036%0.357CS..Hα-helixtrans-60.1-45.8175.9177.563.4000111.3S575 L576 V581 S582 V583 P592 Q596 L600S575-L579 PolarHBondContact O-N 3.4Å; L576-L579 PolarHBondContact O-N 3.41Å; L579-V581 VanDerWaalsContact C-N 3.33Å; L579-V581 PolarHBondContact O-N 3.22Å; L579-S582 PolarHBondContact O-N 3.38Å; L579-S582 PolarHBondContact O-OG 3.11Å; L579-V583 HydrophobicContact CD1-CG1 4.11Å; L579-V583 WeakPolarHBondContact O-CG1 3.37Å; L579-V583 WeakPolarHBondContact O-CG2 3.5Å; L579-V583 PolarHBondContact O-N 3.2Å; L579-V583 VanDerWaalsContact O-N 3.11Å; L579-P592 HydrophobicContact CD1-CB 3.57Å; L579-P592 HydrophobicContact CD1-CG 3.82Å; L579-Q596 HydrophobicContact CB-CB 4.27Å; L579-Q596 HydrophobicContact CB-CG 4.4Å; L579-Q596 HydrophobicContact CD1-CB 4.21Å; L579-Q596 HydrophobicContact CD2-CB 4.2Å; L579-Q596 HydrophobicContact CG-CB 4.47Å; L579-L600 HydrophobicContact CD2-CB 3.86Å; L579-L600 HydrophobicContact CD2-CD2 3.69Å; L579-L600 HydrophobicContact CD2-CG 4.3Å
580L93.3Very high86.7Confident1 Ų164.3 Ų64.31%0.00537%0.367CS..Hα-helixtrans-62.3-40.6179-178.959.7000111.8A548 I551 M552 L576 E577 C584 I617 L620A548-L580 HydrophobicContact CB-CD2 3.76Å; A548-L580 HydrophobicContact CB-CG 3.98Å; I551-L580 HydrophobicContact CB-CD2 4.11Å; I551-L580 HydrophobicContact CG2-CD2 3.95Å; M552-L580 HydrophobicContact CG-CD2 3.95Å; M552-L580 HydrophobicContact SD-CD2 4.17Å; L576-L580 WeakPolarHBondContact O-CB 3.5Å; L576-L580 PolarHBondContact O-N 3.15Å; E577-L580 PolarHBondContact O-N 3.08Å; L580-C584 VanDerWaalsContact O-CB 3.27Å; L580-C584 WeakPolarHBondContact O-CB 3.36Å; L580-C584 PolarHBondContact O-N 2.81Å; L580-C584 VanDerWaalsContact O-N 3.15Å; L580-C584 PolarHBondContact O-SG 3.44Å; L580-I617 HydrophobicContact CB-CG2 4.38Å; L580-I617 HydrophobicContact CD1-CG1 4.21Å; L580-I617 HydrophobicContact CD1-CG2 4.32Å; L580-I617 HydrophobicContact CD2-CD1 4.48Å; L580-I617 HydrophobicContact CD2-CG1 4.12Å; L580-L620 HydrophobicContact CD1-CD1 3.68Å
581V90.1Very high86.4Confident82 Ų8263.5 Ų63.550%0.49736%0.363SS..Hα-helixtrans-63.8-47.4175.1171.80000111.1E577 K578 L579 V583 C584 D585E577-V581 WeakPolarHBondContact O-CG2 3.34Å; E577-V581 PolarHBondContact O-N 3.02Å; K578-V581 PolarHBondContact O-N 3.46Å; L579-V581 VanDerWaalsContact C-N 3.33Å; L579-V581 PolarHBondContact O-N 3.22Å; V581-V583 VanDerWaalsContact C-N 3.3Å; V581-V583 PolarHBondContact O-N 3.34Å; V581-C584 PolarHBondContact O-N 3.13Å; V581-D585 PolarHBondContact O-N 3.37Å; V581-D585 VanDerWaalsContact O-N 3.08Å
582S88.9Confident86.2Confident12 Ų1255.6 Ų55.68%0.08433%0.327CS..Hα-helixtrans-65.5-28-177.965.30000114.2K578 L579 E590K578-S582 PolarHBondContact O-N 2.99Å; K578-S582 PolarHBondContact O-OG 2.68Å; L579-S582 PolarHBondContact O-N 3.38Å; L579-S582 PolarHBondContact O-OG 3.11Å; S582-E590 WeakPolarHBondContact CB-O 3.27Å
583V88.7Confident86.2Confident13 Ų1357.3 Ų57.38%0.07934%0.337CS..Hα-helixtrans-91.9-10.2177-540000113.9L579 V581 P592 L620 A621 H624L579-V583 HydrophobicContact CD1-CG1 4.11Å; L579-V583 WeakPolarHBondContact O-CG1 3.37Å; L579-V583 WeakPolarHBondContact O-CG2 3.5Å; L579-V583 PolarHBondContact O-N 3.2Å; L579-V583 VanDerWaalsContact O-N 3.11Å; V581-V583 VanDerWaalsContact C-N 3.3Å; V581-V583 PolarHBondContact O-N 3.34Å; V583-P592 HydrophobicContact CG1-CG 3.82Å; V583-L620 HydrophobicContact CG2-CB 4.25Å; V583-A621 HydrophobicContact CG1-CB 4.28Å; V583-A621 HydrophobicContact CG2-CB 4.23Å; V583-H624 HydrophobicContact CB-CB 4.45Å; V583-H624 HydrophobicContact CG1-CB 3.91Å
584C85.6Confident85.9Confident53 Ų5362 Ų6236%0.35837%0.366SS..Hα-helixtrans-97.3-23.1175.3-75.10000113.9L580 V581L580-C584 VanDerWaalsContact O-CB 3.27Å; L580-C584 WeakPolarHBondContact O-CB 3.36Å; L580-C584 PolarHBondContact O-N 2.81Å; L580-C584 VanDerWaalsContact O-N 3.15Å; L580-C584 PolarHBondContact O-SG 3.44Å; V581-C584 PolarHBondContact O-N 3.13Å
585D80.3Confident85.8Confident77 Ų7768.4 Ų68.441%0.41239%0.389SS..  trans-104.8110.4177.2-177.32.1000111.6V581 C587 A588V581-D585 PolarHBondContact O-N 3.37Å; V581-D585 VanDerWaalsContact O-N 3.08Å; D585-C587 PolarHBondContact O-N 2.91Å; D585-C587 VanDerWaalsContact O-N 3.11Å; D585-C587 WeakPolarHBondContact OD1-CB 3.17Å; D585-C587 PolarHBondContact OD1-N 3.15Å; D585-A588 HydrophobicContact CB-CB 4.24Å; D585-A588 WeakPolarHBondContact O-CB 3.36Å; D585-A588 PolarHBondContact O-N 3.41Å; D585-A588 VanDerWaalsContact O-N 3.09Å
586P63.6Low85.8Confident132 Ų13267.7 Ų67.786%0.85738%0.383SS*.THydrogen-bonded Turntrans-62.1-15176-2133.2000114.7
587C65.4Low85.8Confident115 Ų11567.8 Ų67.878%0.77738%0.383SS*.THydrogen-bonded Turntrans-99.55.1177.5-65.90000113.4D585 S589D585-C587 PolarHBondContact O-N 2.91Å; D585-C587 VanDerWaalsContact O-N 3.11Å; D585-C587 WeakPolarHBondContact OD1-CB 3.17Å; D585-C587 PolarHBondContact OD1-N 3.15Å; C587-S589 PolarHBondContact O-N 3.08Å
588A72.8Confident85.7Confident29 Ų2967.9 Ų67.924%0.2439%0.392CS..  trans-61.6125.2177.700000111.7D585 E590D585-A588 HydrophobicContact CB-CB 4.24Å; D585-A588 WeakPolarHBondContact O-CB 3.36Å; D585-A588 PolarHBondContact O-N 3.41Å; D585-A588 VanDerWaalsContact O-N 3.09Å; A588-E590 VanDerWaalsContact C-N 3.33Å
589S66.9Low85.8Confident124 Ų12463.2 Ų63.287%0.86737%0.373SS*.SBendtrans-77.1-18.317655.60000113.7C587C587-S589 PolarHBondContact O-N 3.08Å
590E77.9Confident86Confident131 Ų13163.2 Ų63.261%0.61237%0.373SS*.SBendtrans-93.9124.6179-65.6-171.4173.800110.4S582 A588S582-E590 WeakPolarHBondContact CB-O 3.27Å; A588-E590 VanDerWaalsContact C-N 3.33Å
591Q86.4Confident86.1Confident109 Ų10966.3 Ų66.351%0.50939%0.385SS..PPolyproline II helixtrans-88147.1175.5-66.2-75.1-75.800110.7T593 H624Q591-T593 PolarHBondContact O-N 2.86Å; Q591-H624 PolarHBondContact NE2-NE2 3.46Å; Q591-H624 PolarHBondContact OE1-CE1 3.06Å; Q591-H624 PolarHBondContact OE1-NE2 3.36Å
592P92Very high86.3Confident1 Ų170 Ų701%0.00639%0.394CS..PPolyproline II helixtrans-49.8130.2171.2-31.139000113.4L579 V583 I597 H624 Q626 V627L579-P592 HydrophobicContact CD1-CB 3.57Å; L579-P592 HydrophobicContact CD1-CG 3.82Å; V583-P592 HydrophobicContact CG1-CG 3.82Å; P592-I597 HydrophobicContact CB-CD1 4.28Å; P592-I597 HydrophobicContact CB-CG1 4.36Å; P592-H624 WeakPolarHBondContact CD-CE1 3.42Å; P592-Q626 PolarHBondContact O-NE2 2.99Å; P592-Q626 PolarHBondContact O-OE1 2.9Å; P592-V627 HydrophobicContact CB-CG2 3.86Å; P592-V627 HydrophobicContact CG-CG2 3.91Å
593T93.3Very high86.6Confident65 Ų6569.7 Ų69.740%0.39939%0.391SS..PPolyproline II helixtrans-86.9155.5175.174.40000112Q591 E595 Q596 I597Q591-T593 PolarHBondContact O-N 2.86Å; T593-E595 PolarHBondContact O-N 2.95Å; T593-Q596 WeakPolarHBondContact O-CB 3.33Å; T593-Q596 PolarHBondContact O-N 3.27Å; T593-Q596 VanDerWaalsContact O-N 3.09Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.18Å; T593-Q596 PolarHBondContact OG1-N 2.61Å; T593-Q596 VanDerWaalsContact OG1-N 3.14Å; T593-I597 WeakPolarHBondContact O-CG1 3.34Å; T593-I597 PolarHBondContact O-N 2.69Å
594T90.9Very high86.9Confident97 Ų9769 Ų6960%0.59539%0.388SS*.Hα-helixtrans-58.6-33.7174.6-460000112.1I597 S598T594-I597 PolarHBondContact O-N 3.47Å; T594-S598 VanDerWaalsContact O-CB 3.3Å; T594-S598 WeakPolarHBondContact O-CB 3.27Å; T594-S598 PolarHBondContact O-N 2.81Å
595E92.6Very high87.4Confident160 Ų16070.5 Ų70.575%0.74839%0.389SS*.Hα-helixtrans-65.4-43.9174.2-64.2177.817600111.9T593 I597 S598 L599T593-E595 PolarHBondContact O-N 2.95Å; E595-I597 VanDerWaalsContact C-N 3.35Å; E595-I597 PolarHBondContact O-N 3.12Å; E595-S598 PolarHBondContact O-N 2.82Å; E595-L599 WeakPolarHBondContact O-CB 3.5Å; E595-L599 PolarHBondContact O-N 3.23Å
596Q95.4Very high88Confident16 Ų1667.5 Ų67.58%0.07537%0.372CS..Hα-helixtrans-61.9-41.5174.4-78.3173.3-38.500112S575 L579 T593 L599 L600S575-Q596 PolarHBondContact O-NE2 3.31Å; S575-Q596 WeakPolarHBondContact OG-CG 3.42Å; L579-Q596 HydrophobicContact CB-CB 4.27Å; L579-Q596 HydrophobicContact CB-CG 4.4Å; L579-Q596 HydrophobicContact CD1-CB 4.21Å; L579-Q596 HydrophobicContact CD2-CB 4.2Å; L579-Q596 HydrophobicContact CG-CB 4.47Å; T593-Q596 WeakPolarHBondContact O-CB 3.33Å; T593-Q596 PolarHBondContact O-N 3.27Å; T593-Q596 VanDerWaalsContact O-N 3.09Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.18Å; T593-Q596 PolarHBondContact OG1-N 2.61Å; T593-Q596 VanDerWaalsContact OG1-N 3.14Å; Q596-L599 PolarHBondContact O-N 3.23Å; Q596-L600 WeakPolarHBondContact O-CB 3.5Å; Q596-L600 PolarHBondContact O-N 3.28Å
597I94.7Very high89.5Confident2 Ų262.8 Ų62.81%0.0134%0.341CS..Hα-helixtrans-67.2-45.8178.6-63.7164.7000110.8P592 T593 T594 E595 L599 L600 W601 V627 L631P592-I597 HydrophobicContact CB-CD1 4.28Å; P592-I597 HydrophobicContact CB-CG1 4.36Å; T593-I597 WeakPolarHBondContact O-CG1 3.34Å; T593-I597 PolarHBondContact O-N 2.69Å; T594-I597 PolarHBondContact O-N 3.47Å; E595-I597 VanDerWaalsContact C-N 3.35Å; E595-I597 PolarHBondContact O-N 3.12Å; I597-L599 VanDerWaalsContact C-N 3.3Å; I597-L599 PolarHBondContact O-N 2.82Å; I597-L600 PolarHBondContact O-N 3.19Å; I597-W601 WeakPolarHBondContact O-CB 3.45Å; I597-W601 PolarHBondContact O-N 3.45Å; I597-V627 HydrophobicContact CD1-CB 4.47Å; I597-V627 HydrophobicContact CD1-CG2 4.03Å; I597-V627 HydrophobicContact CG1-CG1 4.44Å; I597-V627 HydrophobicContact CG1-CG2 4.04Å; I597-L631 HydrophobicContact CG2-CD1 4.28Å; I597-L631 HydrophobicContact CG2-CD2 3.58Å; I597-L631 HydrophobicContact CG2-CG 3.75Å
598S93.7Very high90.8Very high75 Ų7561.4 Ų61.452%0.52432%0.323SS..Hα-helixtrans-60.7-39.3175.4-178.10000112T594 E595 W601 K602T594-S598 VanDerWaalsContact O-CB 3.3Å; T594-S598 WeakPolarHBondContact O-CB 3.27Å; T594-S598 PolarHBondContact O-N 2.81Å; E595-S598 PolarHBondContact O-N 2.82Å; S598-W601 PolarHBondContact O-N 2.85Å; S598-K602 WeakPolarHBondContact O-CB 3.48Å; S598-K602 PolarHBondContact O-N 3.06Å
599L95.7Very high91.7Very high33 Ų3363.6 Ų63.617%0.17333%0.331CS..Hα-helixtrans-67.5-41.7176.5-174.461.1000112.5V572 L576 E595 Q596 I597 K602 T603V572-L599 HydrophobicContact CB-CD1 4.36Å; V572-L599 HydrophobicContact CB-CD2 4.23Å; V572-L599 HydrophobicContact CG1-CD1 3.75Å; V572-L599 HydrophobicContact CG1-CD2 3.93Å; V572-L599 HydrophobicContact CG1-CG 4.04Å; V572-L599 HydrophobicContact CG2-CD1 3.81Å; V572-L599 HydrophobicContact CG2-CD2 4.13Å; L576-L599 HydrophobicContact CD2-CG 4.4Å; L576-L599 HydrophobicContact CG-CD2 4.49Å; E595-L599 WeakPolarHBondContact O-CB 3.5Å; E595-L599 PolarHBondContact O-N 3.23Å; Q596-L599 PolarHBondContact O-N 3.23Å; I597-L599 VanDerWaalsContact C-N 3.3Å; I597-L599 PolarHBondContact O-N 2.82Å; L599-K602 PolarHBondContact O-N 3.16Å; L599-T603 HydrophobicContact CD1-CG2 4.44Å; L599-T603 WeakPolarHBondContact O-CB 3.47Å; L599-T603 WeakPolarHBondContact O-CG2 3.4Å; L599-T603 PolarHBondContact O-N 3.18Å; L599-T603 PolarHBondContact O-OG1 3.23Å
600L96.8Very high93Very high0 Ų058.3 Ų58.30%029%0.293CS..Hα-helixtrans-61.2-45.6173174.462.6000111.3L576 L579 Q596 I597 T603 S604 V614 I617 L618 A621L576-L600 HydrophobicContact CD2-CB 4.07Å; L576-L600 HydrophobicContact CD2-CD1 4.31Å; L579-L600 HydrophobicContact CD2-CB 3.86Å; L579-L600 HydrophobicContact CD2-CD2 3.69Å; L579-L600 HydrophobicContact CD2-CG 4.3Å; Q596-L600 WeakPolarHBondContact O-CB 3.5Å; Q596-L600 PolarHBondContact O-N 3.28Å; I597-L600 PolarHBondContact O-N 3.19Å; L600-T603 WeakPolarHBondContact CA-OG1 3.21Å; L600-T603 PolarHBondContact O-N 3.32Å; L600-T603 PolarHBondContact O-OG1 3.14Å; L600-S604 PolarHBondContact O-N 2.78Å; L600-V614 HydrophobicContact CD1-CG1 3.87Å; L600-I617 HydrophobicContact CD1-CB 4.06Å; L600-I617 HydrophobicContact CD1-CG2 3.75Å; L600-I617 HydrophobicContact CD2-CG2 4.44Å; L600-L618 HydrophobicContact CD1-CB 4.21Å; L600-L618 HydrophobicContact CD2-CD1 3.95Å; L600-L618 HydrophobicContact CG-CD1 4.11Å; L600-A621 HydrophobicContact CD2-CB 3.57Å
601W95.7Very high93.9Very high67 Ų6752.1 Ų52.125%0.25426%0.264SS..Hα-helixtrans-61.5-47176176.2-120.1000112.3I597 S598 T603 S604 H605 L631 A641 L642 H645I597-W601 WeakPolarHBondContact O-CB 3.45Å; I597-W601 PolarHBondContact O-N 3.45Å; S598-W601 PolarHBondContact O-N 2.85Å; W601-T603 VanDerWaalsContact C-N 3.35Å; W601-T603 PolarHBondContact O-N 3.39Å; W601-S604 PolarHBondContact O-N 2.8Å; W601-S604 PolarHBondContact O-OG 3.29Å; W601-H605 AromaticContact CD2-CE1 3.78Å; W601-H605 AromaticContact CE2-CE1 3.54Å; W601-H605 AromaticContact CE3-CE1 3.87Å; W601-H605 AromaticContact CH2-CE1 3.5Å; W601-H605 VanDerWaalsContact CH2-CE1 3.5Å; W601-H605 WeakPolarHBondContact CH2-CE1 3.24Å; W601-H605 AromaticContact CH2-NE2 3.89Å; W601-H605 AromaticContact CZ2-CE1 3.42Å; W601-H605 VanDerWaalsContact CZ2-CE1 3.42Å; W601-H605 WeakPolarHBondContact CZ2-CE1 3.34Å; W601-H605 AromaticContact CZ2-NE2 3.87Å; W601-H605 AromaticContact CZ3-CE1 3.72Å; W601-H605 PolarHBondContact O-ND1 3.07Å; W601-L631 HydrophobicContact CB-CD2 4.2Å; W601-A641 HydrophobicContact CH2-CB 4.38Å; W601-A641 HydrophobicContact CZ2-CB 4.02Å; W601-L642 HydrophobicContact CE3-CD1 4.35Å; W601-L642 HydrophobicContact CH2-CB 4.36Å; W601-L642 HydrophobicContact CZ3-CB 4.24Å; W601-L642 HydrophobicContact CZ3-CD1 3.74Å; W601-H645 HydrophobicContact CH2-CB 3.93Å; W601-H645 HydrophobicContact CZ3-CB 4.32Å
602K94.1Very high94.4Very high159 Ų15948.5 Ų48.569%0.69125%0.247SC*.Hα-helixtrans-60.6-43.8176.1-176.3178.9178.6-1790111.9S598 L599 S604 H605S598-K602 WeakPolarHBondContact O-CB 3.48Å; S598-K602 PolarHBondContact O-N 3.06Å; L599-K602 PolarHBondContact O-N 3.16Å; K602-S604 VanDerWaalsContact C-N 3.33Å; K602-S604 PolarHBondContact O-N 3.21Å; K602-H605 PolarHBondContact O-N 3.31Å
603T95Very high94.6Very high5 Ų548.5 Ų48.53%0.03125%0.247CC..Hα-helixtrans-74.6-21.1-178.651.90000113.3L568 V572 L576 L599 L600 W601 H605 W606 V614L568-T603 HydrophobicContact CD1-CG2 3.83Å; L568-T603 HydrophobicContact CD2-CG2 3.58Å; L568-T603 HydrophobicContact CG-CG2 4.37Å; V572-T603 HydrophobicContact CG1-CG2 4.5Å; L576-T603 HydrophobicContact CD1-CG2 4.37Å; L599-T603 HydrophobicContact CD1-CG2 4.44Å; L599-T603 WeakPolarHBondContact O-CB 3.47Å; L599-T603 WeakPolarHBondContact O-CG2 3.4Å; L599-T603 PolarHBondContact O-N 3.18Å; L599-T603 PolarHBondContact O-OG1 3.23Å; L600-T603 WeakPolarHBondContact CA-OG1 3.21Å; L600-T603 PolarHBondContact O-N 3.32Å; L600-T603 PolarHBondContact O-OG1 3.14Å; W601-T603 VanDerWaalsContact C-N 3.35Å; W601-T603 PolarHBondContact O-N 3.39Å; T603-H605 PolarHBondContact O-N 3.23Å; T603-H605 VanDerWaalsContact O-N 3.17Å; T603-W606 WeakPolarHBondContact O-CB 3.49Å; T603-W606 PolarHBondContact O-N 3.27Å; T603-V614 WeakPolarHBondContact OG1-CG1 2.93Å
604S96.2Very high94.8Very high0 Ų045.4 Ų45.40%023%0.228CC..THydrogen-bonded Turntrans-69.1-7.3172.671.20000113.8L600 W601 K602 V611 H645L600-S604 PolarHBondContact O-N 2.78Å; W601-S604 PolarHBondContact O-N 2.8Å; W601-S604 PolarHBondContact O-OG 3.29Å; K602-S604 VanDerWaalsContact C-N 3.33Å; K602-S604 PolarHBondContact O-N 3.21Å; S604-V611 WeakPolarHBondContact O-CG2 3.42Å; S604-H645 PolarHBondContact O-CE1 3.45Å; S604-H645 PolarHBondContact O-NE2 3.13Å
605H95Very high95.1Very high84 Ų8440.8 Ų40.839%0.38920%0.199SC..THydrogen-bonded Turntrans-96.817.1173.9-64.777.2000113.1W601 K602 T603 H645W601-H605 AromaticContact CD2-CE1 3.78Å; W601-H605 AromaticContact CE2-CE1 3.54Å; W601-H605 AromaticContact CE3-CE1 3.87Å; W601-H605 AromaticContact CH2-CE1 3.5Å; W601-H605 VanDerWaalsContact CH2-CE1 3.5Å; W601-H605 WeakPolarHBondContact CH2-CE1 3.24Å; W601-H605 AromaticContact CH2-NE2 3.89Å; W601-H605 AromaticContact CZ2-CE1 3.42Å; W601-H605 VanDerWaalsContact CZ2-CE1 3.42Å; W601-H605 WeakPolarHBondContact CZ2-CE1 3.34Å; W601-H605 AromaticContact CZ2-NE2 3.87Å; W601-H605 AromaticContact CZ3-CE1 3.72Å; W601-H605 PolarHBondContact O-ND1 3.07Å; K602-H605 PolarHBondContact O-N 3.31Å; T603-H605 PolarHBondContact O-N 3.23Å; T603-H605 VanDerWaalsContact O-N 3.17Å; H605-H645 AromaticContact CD2-CE1 3.77Å; H605-H645 AromaticContact CD2-ND1 3.81Å; H605-H645 AromaticContact CE1-CD2 3.87Å; H605-H645 AromaticContact NE2-CD2 3.85Å; H605-H645 AromaticContact NE2-CE1 3.99Å; H605-H645 AromaticContact NE2-CG 3.61Å; H605-H645 AromaticContact NE2-ND1 3.74Å
606W94.3Very high95.4Very high14 Ų1433.4 Ų33.45%0.05317%0.165CC..SBendtrans-57.8157.7169.5-99.912000112.6L555 N559 A562 Y566 L568 T603 E608 I610 V611 V614L555-W606 HydrophobicContact CD1-CE3 4.45Å; L555-W606 HydrophobicContact CD1-CH2 3.95Å; L555-W606 HydrophobicContact CD1-CZ3 3.64Å; N559-W606 HydrophobicContact CB-CH2 3.88Å; N559-W606 HydrophobicContact CB-CZ2 4.45Å; N559-W606 WeakPolarHBondContact OD1-CZ2 3.49Å; A562-W606 HydrophobicContact CB-CZ2 4.28Å; Y566-W606 AromaticContact CD1-CD1 3.83Å; Y566-W606 WeakPolarHBondContact O-CZ2 3.24Å; Y566-W606 PolarHBondContact O-NE1 2.98Å; L568-W606 HydrophobicContact CD1-CH2 4.2Å; L568-W606 HydrophobicContact CD1-CZ2 3.76Å; L568-W606 HydrophobicContact CD2-CZ2 4.23Å; L568-W606 HydrophobicContact CG-CH2 4.42Å; L568-W606 HydrophobicContact CG-CZ2 3.61Å; T603-W606 WeakPolarHBondContact O-CB 3.49Å; T603-W606 PolarHBondContact O-N 3.27Å; W606-E608 PolarHBondContact O-N 3.1Å; W606-I610 HydrophobicContact CD2-CD1 3.98Å; W606-I610 HydrophobicContact CD2-CG1 4.32Å; W606-I610 HydrophobicContact CE3-CB 4.28Å; W606-I610 HydrophobicContact CE3-CD1 3.88Å; W606-I610 HydrophobicContact CE3-CG1 3.96Å; W606-I610 HydrophobicContact CG-CD1 4.45Å; W606-I610 HydrophobicContact CH2-CD1 4.39Å; W606-I610 HydrophobicContact CZ2-CD1 4.46Å; W606-I610 HydrophobicContact CZ3-CB 4.43Å; W606-I610 HydrophobicContact CZ3-CD1 4.12Å; W606-I610 HydrophobicContact CZ3-CG1 4.43Å; W606-V611 HydrophobicContact CB-CB 3.77Å; W606-V611 HydrophobicContact CB-CG2 3.81Å; W606-V614 HydrophobicContact CE3-CG2 4.09Å; W606-V614 HydrophobicContact CZ3-CG2 4.5Å
607P94.1Very high95.5Very high32 Ų3232.6 Ų32.621%0.20816%0.161CC..  trans-49.7138.3173.1-28.435.8000112.4Y566 D609 I610 V611Y566-P607 HydrophobicContact CD1-CG 4.33Å; Y566-P607 HydrophobicContact CD2-CG 3.57Å; Y566-P607 HydrophobicContact CE1-CG 4.35Å; Y566-P607 HydrophobicContact CE2-CG 3.63Å; Y566-P607 HydrophobicContact CG-CG 3.96Å; P607-D609 WeakPolarHBondContact CB-OD1 3.3Å; P607-D609 PolarHBondContact O-N 2.97Å; P607-I610 HydrophobicContact CB-CG1 4.11Å; P607-I610 HydrophobicContact CG-CD1 4.39Å; P607-I610 HydrophobicContact CG-CG1 4.4Å; P607-I610 PolarHBondContact O-N 2.96Å; P607-V611 WeakPolarHBondContact O-CB 3.49Å; P607-V611 PolarHBondContact O-N 2.7Å
608E92.8Very high95.6Very high86 Ų8632.5 Ų32.540%0.40216%0.161SC..THydrogen-bonded Turntrans-54.3-24.8-173.1-75.1-168.7-151.800113.5W606 L649 R655 N658W606-E608 PolarHBondContact O-N 3.1Å; E608-L649 HydrophobicContact CG-CD2 4.16Å; E608-R655 WeakPolarHBondContact O-CD 3.39Å; E608-N658 PolarHBondContact O-ND2 2.96Å
609D92.8Very high95.8Very high76 Ų7629.2 Ų29.241%0.40614%0.137SC..THydrogen-bonded Turntrans-76.3-23.1-179.465.8-53.8000115P607 R655P607-D609 WeakPolarHBondContact CB-OD1 3.3Å; P607-D609 PolarHBondContact O-N 2.97Å; D609-R655 VanDerWaalsContact CA-NH1 3.25Å; D609-R655 VanDerWaalsContact CB-NH1 3.32Å; D609-R655 PolarHBondContact O-NH1 3.34Å
610I94.3Very high95.8Very high13 Ų1327.7 Ų27.77%0.06713%0.129CC..THydrogen-bonded Turntrans-122.5-10.5-176.257.1166000115.2L558 A562 W606 P607 F612 P613L558-I610 HydrophobicContact CB-CB 4.17Å; L558-I610 HydrophobicContact CB-CG2 4.12Å; L558-I610 HydrophobicContact CD1-CB 4.22Å; L558-I610 HydrophobicContact CD1-CG2 4.35Å; L558-I610 HydrophobicContact CD2-CG2 4.28Å; L558-I610 HydrophobicContact CG-CG2 4.48Å; A562-I610 HydrophobicContact CB-CD1 3.88Å; W606-I610 HydrophobicContact CD2-CD1 3.98Å; W606-I610 HydrophobicContact CD2-CG1 4.32Å; W606-I610 HydrophobicContact CE3-CB 4.28Å; W606-I610 HydrophobicContact CE3-CD1 3.88Å; W606-I610 HydrophobicContact CE3-CG1 3.96Å; W606-I610 HydrophobicContact CG-CD1 4.45Å; W606-I610 HydrophobicContact CH2-CD1 4.39Å; W606-I610 HydrophobicContact CZ2-CD1 4.46Å; W606-I610 HydrophobicContact CZ3-CB 4.43Å; W606-I610 HydrophobicContact CZ3-CD1 4.12Å; W606-I610 HydrophobicContact CZ3-CG1 4.43Å; P607-I610 HydrophobicContact CB-CG1 4.11Å; P607-I610 HydrophobicContact CG-CD1 4.39Å; P607-I610 HydrophobicContact CG-CG1 4.4Å; P607-I610 PolarHBondContact O-N 2.96Å; I610-F612 VanDerWaalsContact C-N 3.31Å; I610-F612 PolarHBondContact O-N 2.95Å; I610-P613 WeakPolarHBondContact O-CD 3.43Å
611V96.2Very high95.7Very high1 Ų127.7 Ų27.71%0.00613%0.129CC..  trans-66.5-21.6-173.769.50000115.6S604 W606 P607 P613 V614 L615S604-V611 WeakPolarHBondContact O-CG2 3.42Å; W606-V611 HydrophobicContact CB-CB 3.77Å; W606-V611 HydrophobicContact CB-CG2 3.81Å; P607-V611 WeakPolarHBondContact O-CB 3.49Å; P607-V611 PolarHBondContact O-N 2.7Å; V611-P613 VanDerWaalsContact C-CD 3.44Å; V611-V614 WeakPolarHBondContact O-CB 3.41Å; V611-V614 PolarHBondContact O-N 3.22Å; V611-L615 HydrophobicContact CG1-CD1 3.99Å; V611-L615 HydrophobicContact CG1-CG 4.44Å; V611-L615 HydrophobicContact CG2-CD1 4.46Å; V611-L615 HydrophobicContact CG2-CD2 4.26Å; V611-L615 HydrophobicContact CG2-CG 4.07Å; V611-L615 PolarHBondContact O-N 3.23Å; V611-L615 VanDerWaalsContact O-N 3.16Å
612F96.2Very high95.7Very high33 Ų3324.5 Ų24.515%0.14512%0.117CC..Hα-helixtrans-58.2-34.4-168.173.9-92.5000116.2Y497 K554 L558 I610 V614 L615 D616 A657 L661Y497-F612 AromaticContact CD1-CE2 3.8Å; Y497-F612 HydrophobicContact CD1-CE2 3.8Å; Y497-F612 HydrophobicContact CD1-CZ 4.39Å; Y497-F612 HydrophobicContact CE1-CD2 4.45Å; Y497-F612 AromaticContact CE1-CE2 3.72Å; Y497-F612 HydrophobicContact CE1-CE2 3.72Å; K554-F612 HydrophobicContact CD-CZ 4.35Å; K554-F612 HydrophobicContact CG-CE2 3.85Å; K554-F612 HydrophobicContact CG-CZ 3.78Å; L558-F612 HydrophobicContact CD1-CD1 4.26Å; L558-F612 HydrophobicContact CD1-CE1 3.49Å; L558-F612 VanDerWaalsContact CD1-CE1 3.49Å; L558-F612 HydrophobicContact CD1-CZ 3.76Å; I610-F612 VanDerWaalsContact C-N 3.31Å; I610-F612 PolarHBondContact O-N 2.95Å; F612-V614 VanDerWaalsContact C-N 3.28Å; F612-V614 PolarHBondContact O-N 3.08Å; F612-L615 PolarHBondContact O-N 2.98Å; F612-D616 PolarHBondContact O-N 2.59Å; F612-A657 HydrophobicContact CB-CB 4.09Å; F612-A657 HydrophobicContact CG-CB 4.33Å; F612-L661 HydrophobicContact CB-CD1 3.98Å; F612-L661 WeakPolarHBondContact O-CD1 3.47Å
613P97.1Very high95.7Very high1 Ų120 Ų201%0.00610%0.095CC..Hα-helixtrans-65.8-33175.4-19.234.3000112K554 L555 L558 I610 V611 D616 I617K554-P613 HydrophobicContact CB-CG 4.28Å; K554-P613 HydrophobicContact CG-CG 3.97Å; L555-P613 HydrophobicContact CB-CB 3.89Å; L555-P613 HydrophobicContact CD1-CB 4.35Å; L558-P613 HydrophobicContact CD1-CG 3.8Å; I610-P613 WeakPolarHBondContact O-CD 3.43Å; V611-P613 VanDerWaalsContact C-CD 3.44Å; P613-D616 WeakPolarHBondContact O-CB 3.34Å; P613-D616 PolarHBondContact O-N 2.75Å; P613-I617 WeakPolarHBondContact O-CG1 3.16Å; P613-I617 PolarHBondContact O-N 3.03Å; P613-I617 VanDerWaalsContact O-N 3.13Å
614V97.5Very high95.6Very high0 Ų021.1 Ų21.10%010%0.1CC..Hα-helixtrans-70.1-38.5175.4-171.10000110.8L555 L600 T603 W606 V611 F612 D616 I617 L618L555-V614 HydrophobicContact CD1-CG2 3.66Å; L600-V614 HydrophobicContact CD1-CG1 3.87Å; T603-V614 WeakPolarHBondContact OG1-CG1 2.93Å; W606-V614 HydrophobicContact CE3-CG2 4.09Å; W606-V614 HydrophobicContact CZ3-CG2 4.5Å; V611-V614 WeakPolarHBondContact O-CB 3.41Å; V611-V614 PolarHBondContact O-N 3.22Å; F612-V614 VanDerWaalsContact C-N 3.28Å; F612-V614 PolarHBondContact O-N 3.08Å; V614-D616 PolarHBondContact O-N 3.07Å; V614-I617 PolarHBondContact O-N 2.95Å; V614-L618 WeakPolarHBondContact O-CB 3.39Å; V614-L618 PolarHBondContact O-N 2.76Å
615L97.9Very high95.4Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-63.9-31.1172.3-58177.2000112.2V611 F612 L618 R619 L649 N658 L661V611-L615 HydrophobicContact CG1-CD1 3.99Å; V611-L615 HydrophobicContact CG1-CG 4.44Å; V611-L615 HydrophobicContact CG2-CD1 4.46Å; V611-L615 HydrophobicContact CG2-CD2 4.26Å; V611-L615 HydrophobicContact CG2-CG 4.07Å; V611-L615 PolarHBondContact O-N 3.23Å; V611-L615 VanDerWaalsContact O-N 3.16Å; F612-L615 PolarHBondContact O-N 2.98Å; L615-L618 HydrophobicContact CD2-CD2 4.26Å; L615-L618 PolarHBondContact O-N 3.23Å; L615-R619 PolarHBondContact O-N 2.86Å; L615-L649 HydrophobicContact CD1-CD1 3.86Å; L615-L649 HydrophobicContact CD2-CD1 4.06Å; L615-N658 HydrophobicContact CD1-CB 4.1Å; L615-L661 HydrophobicContact CB-CB 3.75Å; L615-L661 HydrophobicContact CB-CD1 3.91Å; L615-L661 HydrophobicContact CB-CG 4.45Å; L615-L661 HydrophobicContact CD1-CB 4.45Å
616D97.4Very high95.2Very high4 Ų425 Ų252%0.02113%0.127CC..Hα-helixtrans-68.1-38.5175-145.5-2.8000111.4I551 F612 P613 V614 R619 L620 L661I551-D616 HydrophobicContact CD1-CB 4.25Å; I551-D616 HydrophobicContact CG1-CB 4.3Å; I551-D616 HydrophobicContact CG2-CB 4.35Å; F612-D616 PolarHBondContact O-N 2.59Å; P613-D616 WeakPolarHBondContact O-CB 3.34Å; P613-D616 PolarHBondContact O-N 2.75Å; V614-D616 PolarHBondContact O-N 3.07Å; D616-R619 VanDerWaalsContact O-CG 3.23Å; D616-R619 WeakPolarHBondContact O-CG 3.23Å; D616-R619 IonicContact OD1-CZ 3.49Å; D616-R619 IonicContact OD1-NE 2.71Å; D616-R619 PolarHBondContact OD1-NE 2.82Å; D616-R619 IonicContact OD1-NH2 3.36Å; D616-R619 PolarHBondContact OD1-NH2 3.45Å; D616-L620 WeakPolarHBondContact O-CD1 3.22Å; D616-L620 WeakPolarHBondContact O-CG 3.03Å; D616-L661 HydrophobicContact CB-CD1 4.17Å; D616-L661 HydrophobicContact CB-CD2 4.19Å
617I97.7Very high95.2Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-65-46.5168.5-58.2175.1000110.5I551 M552 L555 L576 L580 L600 P613 V614 R619 L620 A621I551-I617 HydrophobicContact CG2-CD1 4.21Å; I551-I617 HydrophobicContact CG2-CG1 3.62Å; M552-I617 HydrophobicContact SD-CD1 4.16Å; L555-I617 HydrophobicContact CD2-CD1 3.98Å; L576-I617 HydrophobicContact CB-CD1 4.32Å; L580-I617 HydrophobicContact CB-CG2 4.38Å; L580-I617 HydrophobicContact CD1-CG1 4.21Å; L580-I617 HydrophobicContact CD1-CG2 4.32Å; L580-I617 HydrophobicContact CD2-CD1 4.48Å; L580-I617 HydrophobicContact CD2-CG1 4.12Å; L600-I617 HydrophobicContact CD1-CB 4.06Å; L600-I617 HydrophobicContact CD1-CG2 3.75Å; L600-I617 HydrophobicContact CD2-CG2 4.44Å; P613-I617 WeakPolarHBondContact O-CG1 3.16Å; P613-I617 PolarHBondContact O-N 3.03Å; P613-I617 VanDerWaalsContact O-N 3.13Å; V614-I617 PolarHBondContact O-N 2.95Å; I617-R619 PolarHBondContact O-N 3.41Å; I617-L620 PolarHBondContact O-N 3.38Å; I617-L620 VanDerWaalsContact O-N 3.08Å; I617-A621 WeakPolarHBondContact O-CB 3.35Å; I617-A621 PolarHBondContact O-N 2.94Å
618L97.8Very high95.1Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-59.5-45.6-176-179.661.3000112.7L600 V614 L615 L620 A621 V622 L631 L646 T665L600-L618 HydrophobicContact CD1-CB 4.21Å; L600-L618 HydrophobicContact CD2-CD1 3.95Å; L600-L618 HydrophobicContact CG-CD1 4.11Å; V614-L618 WeakPolarHBondContact O-CB 3.39Å; V614-L618 PolarHBondContact O-N 2.76Å; L615-L618 HydrophobicContact CD2-CD2 4.26Å; L615-L618 PolarHBondContact O-N 3.23Å; L618-L620 PolarHBondContact O-N 3.33Å; L618-A621 PolarHBondContact O-N 3.4Å; L618-V622 PolarHBondContact O-N 2.78Å; L618-L631 HydrophobicContact CD1-CD1 3.72Å; L618-L646 HydrophobicContact CD2-CD2 4.38Å; L618-T665 HydrophobicContact CD2-CG2 4.3Å; L618-T665 HydrophobicContact CG-CG2 4.02Å
619R96.7Very high95.1Very high6 Ų623.2 Ų23.22%0.02312%0.116CC..Hα-helixtrans-61-33.3176.864147.6-175.4121.93.3112.2F543 Q545 L615 D616 I617 L661 R664 T665 N668F543-R619 PolarHBondContact O-NH1 3.23Å; Q545-R619 PolarHBondContact O-NH1 3.18Å; Q545-R619 PolarHBondContact O-NH2 2.93Å; L615-R619 PolarHBondContact O-N 2.86Å; D616-R619 VanDerWaalsContact O-CG 3.23Å; D616-R619 WeakPolarHBondContact O-CG 3.23Å; D616-R619 IonicContact OD1-CZ 3.49Å; D616-R619 IonicContact OD1-NE 2.71Å; D616-R619 PolarHBondContact OD1-NE 2.82Å; D616-R619 IonicContact OD1-NH2 3.36Å; D616-R619 PolarHBondContact OD1-NH2 3.45Å; I617-R619 PolarHBondContact O-N 3.41Å; R619-L661 HydrophobicContact CG-CD2 4.35Å; R619-R664 HydrophobicContact CB-CB 4.29Å; R619-T665 WeakPolarHBondContact CB-OG1 3.37Å; R619-N668 WeakPolarHBondContact O-CB 3.34Å; R619-N668 PolarHBondContact O-ND2 3.47Å
620L96.2Very high95Very high1 Ų121.8 Ų21.81%0.00511%0.112CC..Hα-helixtrans-76.7-45.1-179.9-65.3165.7000110E544 A546 I551 L580 V583 D616 I617 L618 V622 R623E544-L620 WeakPolarHBondContact O-CD2 3.42Å; A546-L620 HydrophobicContact CB-CD1 3.45Å; A546-L620 VanDerWaalsContact CB-CD1 3.45Å; A546-L620 HydrophobicContact CB-CD2 3.91Å; A546-L620 HydrophobicContact CB-CG 4.33Å; I551-L620 HydrophobicContact CD1-CD1 3.91Å; L580-L620 HydrophobicContact CD1-CD1 3.68Å; V583-L620 HydrophobicContact CG2-CB 4.25Å; D616-L620 WeakPolarHBondContact O-CD1 3.22Å; D616-L620 WeakPolarHBondContact O-CG 3.03Å; I617-L620 PolarHBondContact O-N 3.38Å; I617-L620 VanDerWaalsContact O-N 3.08Å; L618-L620 PolarHBondContact O-N 3.33Å; L620-V622 PolarHBondContact O-N 3.4Å; L620-R623 WeakPolarHBondContact O-CB 3.47Å; L620-R623 PolarHBondContact O-N 2.87Å
621A95.8Very high94.9Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-62.6-41.8-178.200000112.8V583 L600 I617 L618 R623 H624 V627V583-A621 HydrophobicContact CG1-CB 4.28Å; V583-A621 HydrophobicContact CG2-CB 4.23Å; L600-A621 HydrophobicContact CD2-CB 3.57Å; I617-A621 WeakPolarHBondContact O-CB 3.35Å; I617-A621 PolarHBondContact O-N 2.94Å; L618-A621 PolarHBondContact O-N 3.4Å; A621-R623 PolarHBondContact O-N 2.78Å; A621-H624 VanDerWaalsContact O-CB 3.32Å; A621-H624 WeakPolarHBondContact O-CB 3.48Å; A621-H624 PolarHBondContact O-N 2.66Å; A621-V627 HydrophobicContact CB-CG1 4.03Å; A621-V627 HydrophobicContact CB-CG2 4.49Å; A621-V627 VanDerWaalsContact O-CB 3.23Å; A621-V627 WeakPolarHBondContact O-CB 3.24Å
622V95.4Very high94.7Very high0 Ų022.2 Ų22.20%012%0.116CC..THydrogen-bonded Turntrans-65-9.9-176.782.20000114.7L618 L620 N628 T665 N668L618-V622 PolarHBondContact O-N 2.78Å; L620-V622 PolarHBondContact O-N 3.4Å; V622-N628 WeakPolarHBondContact O-CB 3.27Å; V622-N628 PolarHBondContact O-ND2 3.14Å; V622-T665 HydrophobicContact CG1-CG2 4.01Å; V622-N668 HydrophobicContact CG1-CB 3.71Å
623R93.9Very high93.6Very high64 Ų6421.2 Ų21.224%0.24211%0.114CC..THydrogen-bonded Turntrans-73.8-29169.3-64.7174.550.3-113.3-0.4112.5E544 L620 A621 N668E544-R623 IonicContact OE1-CZ 2.74Å; E544-R623 IonicContact OE1-NE 2.62Å; E544-R623 PolarHBondContact OE1-NE 3.23Å; E544-R623 IonicContact OE1-NH2 2.72Å; E544-R623 PolarHBondContact OE1-NH2 3.47Å; E544-R623 IonicContact OE2-CZ 3.14Å; E544-R623 IonicContact OE2-NH2 2.71Å; E544-R623 PolarHBondContact OE2-NH2 2.86Å; L620-R623 WeakPolarHBondContact O-CB 3.47Å; L620-R623 PolarHBondContact O-N 2.87Å; A621-R623 PolarHBondContact O-N 2.78Å; R623-N668 WeakPolarHBondContact CD-ND2 3.46Å; R623-N668 HydrophobicContact CG-CB 3.71Å
624H93.3Very high92.1Very high29 Ų2923 Ų2313%0.13413%0.132CC..SBendtrans-71.9130.6-177.6-174.3-82.5000110.3V583 Q591 P592 A621 Q626 V627 N628V583-H624 HydrophobicContact CB-CB 4.45Å; V583-H624 HydrophobicContact CG1-CB 3.91Å; Q591-H624 PolarHBondContact NE2-NE2 3.46Å; Q591-H624 PolarHBondContact OE1-CE1 3.06Å; Q591-H624 PolarHBondContact OE1-NE2 3.36Å; P592-H624 WeakPolarHBondContact CD-CE1 3.42Å; A621-H624 VanDerWaalsContact O-CB 3.32Å; A621-H624 WeakPolarHBondContact O-CB 3.48Å; A621-H624 PolarHBondContact O-N 2.66Å; H624-Q626 VanDerWaalsContact C-N 3.35Å; H624-Q626 PolarHBondContact ND1-N 3.31Å; H624-Q626 PolarHBondContact O-N 3.24Å; H624-V627 HydrophobicContact CB-CB 4.36Å; H624-V627 HydrophobicContact CB-CG2 3.94Å; H624-V627 PolarHBondContact O-N 3.28Å; H624-N628 PolarHBondContact O-N 3.05Å
625P91Very high90.4Very high97 Ų9729.3 Ų29.363%0.6317%0.166SC*.Hα-helixtrans-51.5-46.9-170.9-30.535.7000114.6V627 N628 E629P625-V627 VanDerWaalsContact C-N 3.33Å; P625-V627 PolarHBondContact O-N 3.02Å; P625-N628 PolarHBondContact O-N 3.33Å; P625-E629 WeakPolarHBondContact O-CB 3.39Å; P625-E629 PolarHBondContact O-N 3.35Å
626Q91.1Very high88.6Confident68 Ų6833.2 Ų33.232%0.31820%0.199SC..Hα-helixtrans-66.6-31.4179.9-169.5-178.5-16.100113.6P592 H624 S630P592-Q626 PolarHBondContact O-NE2 2.99Å; P592-Q626 PolarHBondContact O-OE1 2.9Å; H624-Q626 VanDerWaalsContact C-N 3.35Å; H624-Q626 PolarHBondContact ND1-N 3.31Å; H624-Q626 PolarHBondContact O-N 3.24Å; Q626-S630 VanDerWaalsContact O-CB 3.32Å; Q626-S630 WeakPolarHBondContact O-CB 3.43Å; Q626-S630 PolarHBondContact O-N 3.26Å
627V93.7Very high87.3Confident0 Ų039.3 Ų39.30%023%0.231CC..Hα-helixtrans-77.8-39.9177.5-174.80000109.9P592 I597 A621 H624 P625 E629 S630 L631P592-V627 HydrophobicContact CB-CG2 3.86Å; P592-V627 HydrophobicContact CG-CG2 3.91Å; I597-V627 HydrophobicContact CD1-CB 4.47Å; I597-V627 HydrophobicContact CD1-CG2 4.03Å; I597-V627 HydrophobicContact CG1-CG1 4.44Å; I597-V627 HydrophobicContact CG1-CG2 4.04Å; A621-V627 HydrophobicContact CB-CG1 4.03Å; A621-V627 HydrophobicContact CB-CG2 4.49Å; A621-V627 VanDerWaalsContact O-CB 3.23Å; A621-V627 WeakPolarHBondContact O-CB 3.24Å; H624-V627 HydrophobicContact CB-CB 4.36Å; H624-V627 HydrophobicContact CB-CG2 3.94Å; H624-V627 PolarHBondContact O-N 3.28Å; P625-V627 VanDerWaalsContact C-N 3.33Å; P625-V627 PolarHBondContact O-N 3.02Å; V627-E629 VanDerWaalsContact C-N 3.33Å; V627-S630 PolarHBondContact O-N 3.33Å; V627-L631 HydrophobicContact CG1-CD1 3.7Å; V627-L631 HydrophobicContact CG1-CG 4.16Å; V627-L631 WeakPolarHBondContact O-CB 3.28Å; V627-L631 PolarHBondContact O-N 2.93Å
628N93.6Very high86.3Confident4 Ų443.3 Ų43.32%0.02125%0.253CS..Hα-helixtrans-60.1-43.6172.7-162.1-88.7000111V622 H624 P625 C632 C669 G672 G675V622-N628 WeakPolarHBondContact O-CB 3.27Å; V622-N628 PolarHBondContact O-ND2 3.14Å; H624-N628 PolarHBondContact O-N 3.05Å; P625-N628 PolarHBondContact O-N 3.33Å; N628-C632 WeakPolarHBondContact O-CA 3.42Å; N628-C632 WeakPolarHBondContact O-CB 3.36Å; N628-C632 PolarHBondContact O-N 3.43Å; N628-C669 PolarHBondContact ND2-O 2.71Å; N628-G672 WeakPolarHBondContact OD1-CA 3.22Å; N628-G675 PolarHBondContact OD1-N 2.79Å
629E91.2Very high85.7Confident90 Ų9043.5 Ų43.542%0.42126%0.255SS..Hα-helixtrans-66.7-44.2175.9-178150.2-130.200112.4P625 V627 G633 G634 R674P625-E629 WeakPolarHBondContact O-CB 3.39Å; P625-E629 PolarHBondContact O-N 3.35Å; V627-E629 VanDerWaalsContact C-N 3.33Å; E629-G633 CarbonylContact O-C 3.19Å; E629-G633 WeakPolarHBondContact O-CA 3.44Å; E629-G633 PolarHBondContact O-N 3.09Å; E629-G634 PolarHBondContact O-N 2.91Å; E629-R674 HydrophobicContact CB-CG 4.46Å; E629-R674 HydrophobicContact CG-CG 4.47Å; E629-R674 IonicContact OE1-CZ 3Å; E629-R674 IonicContact OE1-NE 3.49Å; E629-R674 PolarHBondContact OE1-NE 3Å; E629-R674 IonicContact OE1-NH2 2.75Å; E629-R674 PolarHBondContact OE1-NH2 3.3Å
630S91.8Very high85.4Confident46 Ų4645.2 Ų45.232%0.32227%0.266SS..Hα-helixtrans-70-35.7-179.8-175.60000114.3Q626 V627Q626-S630 VanDerWaalsContact O-CB 3.32Å; Q626-S630 WeakPolarHBondContact O-CB 3.43Å; Q626-S630 PolarHBondContact O-N 3.26Å; V627-S630 PolarHBondContact O-N 3.33Å
631L92.3Very high85.2Confident14 Ų1447 Ų477%0.07328%0.281CS..Hα-helixtrans-97.8-22.3-175.8-63.3-177.4000113.8I597 W601 L618 V627 L642I597-L631 HydrophobicContact CG2-CD1 4.28Å; I597-L631 HydrophobicContact CG2-CD2 3.58Å; I597-L631 HydrophobicContact CG2-CG 3.75Å; W601-L631 HydrophobicContact CB-CD2 4.2Å; L618-L631 HydrophobicContact CD1-CD1 3.72Å; V627-L631 HydrophobicContact CG1-CD1 3.7Å; V627-L631 HydrophobicContact CG1-CG 4.16Å; V627-L631 WeakPolarHBondContact O-CB 3.28Å; V627-L631 PolarHBondContact O-N 2.93Å; L631-L642 HydrophobicContact CB-CD2 4.16Å; L631-L642 WeakPolarHBondContact O-CD2 3.41Å
632C90.4Very high85.1Confident10 Ų1047.1 Ų47.17%0.06828%0.282CS..Hα-helixtrans-113.4-4.5178.8-49.40000113.7N628 L642 R674 L678N628-C632 WeakPolarHBondContact O-CA 3.42Å; N628-C632 WeakPolarHBondContact O-CB 3.36Å; N628-C632 PolarHBondContact O-N 3.43Å; C632-L642 VanDerWaalsContact SG-CD2 3.59Å; C632-R674 HydrophobicContact CB-CB 4.17Å; C632-L678 HydrophobicContact CB-CB 4.47Å; C632-L678 HydrophobicContact CB-CD2 3.74Å
633G73.3Confident85.1Confident11 Ų1147.2 Ų47.211%0.11328%0.282CS..SBendtrans-139.314.4-167.600000116.4E629 R674E629-G633 CarbonylContact O-C 3.19Å; E629-G633 WeakPolarHBondContact O-CA 3.44Å; E629-G633 PolarHBondContact O-N 3.09Å; G633-R674 PolarHBondContact O-NH1 3.45Å
634G66.4Low85.1Confident38 Ų3848.4 Ų48.439%0.39229%0.293SS..SBendtrans-67.4-151.4169.600000112.9E629E629-G634 PolarHBondContact O-N 2.91Å
635D61.5Low85.3Confident133 Ų13348.1 Ų48.171%0.71129%0.292SS*.SBendtrans-60.9155.1168-77.8-37.1000109.2D637 D638D635-D637 PolarHBondContact O-N 2.88Å; D635-D638 PolarHBondContact N-OD2 3.37Å; D635-D638 PolarHBondContact O-N 2.83Å
636A60.1Low85.6Confident83 Ų8343.5 Ų43.569%0.68626%0.262SS*.Hα-helixtrans-54.9-27.6-17000000113.6V640A636-V640 VanDerWaalsContact O-CG2 3.31Å; A636-V640 WeakPolarHBondContact O-CG2 3.35Å
637D70.4Confident85.9Confident131 Ų13140.6 Ų40.670%0.70125%0.248SC*.Hα-helixtrans-71.5-31.6178.1-61.2-33.1000113.5D635 V640 A641D635-D637 PolarHBondContact O-N 2.88Å; D637-V640 PolarHBondContact O-N 2.75Å; D637-A641 WeakPolarHBondContact O-CB 3.38Å; D637-A641 PolarHBondContact O-N 3.08Å
638D76.8Confident86Confident84 Ų8442.5 Ų42.545%0.44926%0.262SS..Hα-helixtrans-67.8-48.1-175.6-72.2-35.6000111.9D635 V640 A641 L642D635-D638 PolarHBondContact N-OD2 3.37Å; D635-D638 PolarHBondContact O-N 2.83Å; D638-V640 VanDerWaalsContact C-N 3.32Å; D638-V640 PolarHBondContact O-N 3.03Å; D638-A641 WeakPolarHBondContact O-CB 3.47Å; D638-A641 PolarHBondContact O-N 2.95Å; D638-L642 PolarHBondContact O-N 3.2Å
639G85.5Confident86.1Confident4 Ų442.6 Ų42.64%0.04126%0.262CS..Hα-helixtrans-65.2-37.5177.200000112.1L642 C643 L678G639-L642 PolarHBondContact O-N 3.43Å; G639-C643 PolarHBondContact O-N 3.08Å; G639-C643 VanDerWaalsContact O-N 3.07Å; G639-L678 WeakPolarHBondContact O-CD2 3.32Å
640V89.6Confident86.3Confident43 Ų4338.3 Ų38.326%0.26124%0.242SC..Hα-helixtrans-67.3-37.3174.9172.90000111A636 D637 D638 C643 N644A636-V640 VanDerWaalsContact O-CG2 3.31Å; A636-V640 WeakPolarHBondContact O-CG2 3.35Å; D637-V640 PolarHBondContact O-N 2.75Å; D638-V640 VanDerWaalsContact C-N 3.32Å; D638-V640 PolarHBondContact O-N 3.03Å; V640-C643 PolarHBondContact O-N 2.91Å; V640-N644 WeakPolarHBondContact CG1-ND2 3.4Å; V640-N644 WeakPolarHBondContact O-CB 3.47Å; V640-N644 VanDerWaalsContact O-CG 3.26Å; V640-N644 PolarHBondContact O-N 3.31Å; V640-N644 PolarHBondContact O-ND2 2.88Å
641A92.4Very high86.2Confident38 Ų3840.3 Ų40.331%0.31425%0.245SC..Hα-helixtrans-62.3-43.7173.300000112W601 D637 D638 C643 N644 H645W601-A641 HydrophobicContact CH2-CB 4.38Å; W601-A641 HydrophobicContact CZ2-CB 4.02Å; D637-A641 WeakPolarHBondContact O-CB 3.38Å; D637-A641 PolarHBondContact O-N 3.08Å; D638-A641 WeakPolarHBondContact O-CB 3.47Å; D638-A641 PolarHBondContact O-N 2.95Å; A641-C643 PolarHBondContact O-N 3.33Å; A641-N644 PolarHBondContact O-N 2.84Å; A641-H645 WeakPolarHBondContact O-CB 3.38Å; A641-H645 PolarHBondContact O-N 2.96Å
642L94.3Very high85.8Confident3 Ų342.3 Ų42.32%0.01626%0.259CS..Hα-helixtrans-56.1-50.5172.5175.967000111.4W601 L631 C632 D638 G639 H645 L646W601-L642 HydrophobicContact CE3-CD1 4.35Å; W601-L642 HydrophobicContact CH2-CB 4.36Å; W601-L642 HydrophobicContact CZ3-CB 4.24Å; W601-L642 HydrophobicContact CZ3-CD1 3.74Å; L631-L642 HydrophobicContact CB-CD2 4.16Å; L631-L642 WeakPolarHBondContact O-CD2 3.41Å; C632-L642 VanDerWaalsContact SG-CD2 3.59Å; D638-L642 PolarHBondContact O-N 3.2Å; G639-L642 PolarHBondContact O-N 3.43Å; L642-H645 PolarHBondContact O-N 3.48Å; L642-L646 HydrophobicContact CD1-CD1 3.86Å; L642-L646 HydrophobicContact CD1-CG 4.19Å; L642-L646 HydrophobicContact CG-CD1 3.99Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.35Å; L642-L646 PolarHBondContact O-N 3.19Å; L642-L646 VanDerWaalsContact O-N 3.07Å
643C94.6Very high85.6Confident1 Ų149.3 Ų49.31%0.00729%0.29CS..Hα-helixtrans-59-52177.6-77.50000111.8G639 V640 A641 H645 L646 L647 Q682G639-C643 PolarHBondContact O-N 3.08Å; G639-C643 VanDerWaalsContact O-N 3.07Å; V640-C643 PolarHBondContact O-N 2.91Å; A641-C643 PolarHBondContact O-N 3.33Å; C643-H645 VanDerWaalsContact C-N 3.3Å; C643-H645 PolarHBondContact O-N 3.4Å; C643-L646 PolarHBondContact O-N 3.07Å; C643-L647 WeakPolarHBondContact O-CB 3.36Å; C643-L647 WeakPolarHBondContact O-CG 3.24Å; C643-L647 PolarHBondContact O-N 2.81Å; C643-Q682 HydrophobicContact CB-CG 4.31Å
644N95Very high86.4Confident89 Ų8949.3 Ų49.348%0.47629%0.289SS..Hα-helixtrans-58.8-40.4-179-73.7-23.6000112.6V640 A641 S648V640-N644 WeakPolarHBondContact CG1-ND2 3.4Å; V640-N644 WeakPolarHBondContact O-CB 3.47Å; V640-N644 VanDerWaalsContact O-CG 3.26Å; V640-N644 PolarHBondContact O-N 3.31Å; V640-N644 PolarHBondContact O-ND2 2.88Å; A641-N644 PolarHBondContact O-N 2.84Å; N644-S648 WeakPolarHBondContact O-CB 3.21Å; N644-S648 PolarHBondContact O-N 3.3Å
645H96.4Very high87.7Confident24 Ų2453.7 Ų53.711%0.11129%0.294CS..Hα-helixtrans-62.6-50.3175.5-177.644.4000111.7W601 S604 H605 A641 L642 C643 L647 S648 L649W601-H645 HydrophobicContact CH2-CB 3.93Å; W601-H645 HydrophobicContact CZ3-CB 4.32Å; S604-H645 PolarHBondContact O-CE1 3.45Å; S604-H645 PolarHBondContact O-NE2 3.13Å; H605-H645 AromaticContact CD2-CE1 3.77Å; H605-H645 AromaticContact CD2-ND1 3.81Å; H605-H645 AromaticContact CE1-CD2 3.87Å; H605-H645 AromaticContact NE2-CD2 3.85Å; H605-H645 AromaticContact NE2-CE1 3.99Å; H605-H645 AromaticContact NE2-CG 3.61Å; H605-H645 AromaticContact NE2-ND1 3.74Å; A641-H645 WeakPolarHBondContact O-CB 3.38Å; A641-H645 PolarHBondContact O-N 2.96Å; L642-H645 PolarHBondContact O-N 3.48Å; C643-H645 VanDerWaalsContact C-N 3.3Å; C643-H645 PolarHBondContact O-N 3.4Å; H645-L647 PolarHBondContact O-N 2.93Å; H645-S648 WeakPolarHBondContact O-CB 3.43Å; H645-S648 PolarHBondContact O-N 2.76Å; H645-S648 VanDerWaalsContact O-N 3.17Å; H645-S648 PolarHBondContact O-OG 3.24Å; H645-L649 PolarHBondContact O-N 2.67Å
646L97.6Very high89.2Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-62.1-40.6178.9-65173.4000112.3L618 L642 C643 S648 L649 M650 A662 T665 L666L618-L646 HydrophobicContact CD2-CD2 4.38Å; L642-L646 HydrophobicContact CD1-CD1 3.86Å; L642-L646 HydrophobicContact CD1-CG 4.19Å; L642-L646 HydrophobicContact CG-CD1 3.99Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.35Å; L642-L646 PolarHBondContact O-N 3.19Å; L642-L646 VanDerWaalsContact O-N 3.07Å; C643-L646 PolarHBondContact O-N 3.07Å; L646-S648 VanDerWaalsContact C-N 3.32Å; L646-S648 PolarHBondContact O-N 3.02Å; L646-L649 WeakPolarHBondContact O-CB 3.38Å; L646-L649 PolarHBondContact O-N 3.35Å; L646-M650 WeakPolarHBondContact O-CG 3.09Å; L646-M650 PolarHBondContact O-N 2.94Å; L646-A662 HydrophobicContact CB-CB 4.33Å; L646-A662 HydrophobicContact CD2-CB 4.1Å; L646-T665 HydrophobicContact CD1-CG2 3.73Å; L646-T665 HydrophobicContact CD2-CG2 4.16Å; L646-L666 HydrophobicContact CB-CD2 4.38Å; L646-L666 HydrophobicContact CD1-CD2 3.7Å; L646-L666 HydrophobicContact CD1-CG 4.03Å
647L96.6Very high90.9Very high6 Ų648.3 Ų48.33%0.03126%0.263CS..Hα-helixtrans-65.6-34.3176.2-64.5171.8000112.1C643 H645 L649 M650 A685 V686 H689C643-L647 WeakPolarHBondContact O-CB 3.36Å; C643-L647 WeakPolarHBondContact O-CG 3.24Å; C643-L647 PolarHBondContact O-N 2.81Å; H645-L647 PolarHBondContact O-N 2.93Å; L647-L649 PolarHBondContact O-N 3.27Å; L647-M650 HydrophobicContact CD2-CE 4.27Å; L647-M650 HydrophobicContact CD2-SD 4.06Å; L647-M650 PolarHBondContact O-N 2.99Å; L647-A685 HydrophobicContact CD1-CB 3.91Å; L647-V686 HydrophobicContact CD1-CG2 4.45Å; L647-V686 HydrophobicContact CD2-CG2 4.21Å; L647-H689 HydrophobicContact CD2-CB 3.73Å
648S95.7Very high92.1Very high40 Ų4042.1 Ų42.128%0.2823%0.229SC..Hα-helixtrans-60.6-29.1176.386.40000113.2N644 H645 L646 K651N644-S648 WeakPolarHBondContact O-CB 3.21Å; N644-S648 PolarHBondContact O-N 3.3Å; H645-S648 WeakPolarHBondContact O-CB 3.43Å; H645-S648 PolarHBondContact O-N 2.76Å; H645-S648 VanDerWaalsContact O-N 3.17Å; H645-S648 PolarHBondContact O-OG 3.24Å; L646-S648 VanDerWaalsContact C-N 3.32Å; L646-S648 PolarHBondContact O-N 3.02Å; S648-K651 WeakPolarHBondContact O-CD 3.49Å; S648-K651 VanDerWaalsContact O-CE 3.22Å; S648-K651 WeakPolarHBondContact O-CE 3.37Å; S648-K651 PolarHBondContact O-NZ 3.06Å
649L96.3Very high93.1Very high6 Ų638.1 Ų38.13%0.03121%0.208CC..THydrogen-bonded Turntrans-87-8.8177.8-60.4169.9000113.4E608 L615 H645 L646 L647 A654 N658 Q659 A662E608-L649 HydrophobicContact CG-CD2 4.16Å; L615-L649 HydrophobicContact CD1-CD1 3.86Å; L615-L649 HydrophobicContact CD2-CD1 4.06Å; H645-L649 PolarHBondContact O-N 2.67Å; L646-L649 WeakPolarHBondContact O-CB 3.38Å; L646-L649 PolarHBondContact O-N 3.35Å; L647-L649 PolarHBondContact O-N 3.27Å; L649-A654 WeakPolarHBondContact O-CB 3.36Å; L649-N658 HydrophobicContact CB-CB 4.37Å; L649-N658 HydrophobicContact CD2-CB 4.36Å; L649-Q659 WeakPolarHBondContact O-CG 3.23Å; L649-A662 HydrophobicContact CB-CB 4.27Å
650M94.8Very high93.6Very high0 Ų038.6 Ų38.60%021%0.209CC..  trans-94.22.1-178-75.4173.353.800114.2L646 L647 A662 L663 L666 H689 A690 L693L646-M650 WeakPolarHBondContact O-CG 3.09Å; L646-M650 PolarHBondContact O-N 2.94Å; L647-M650 HydrophobicContact CD2-CE 4.27Å; L647-M650 HydrophobicContact CD2-SD 4.06Å; L647-M650 PolarHBondContact O-N 2.99Å; M650-A662 HydrophobicContact CG-CB 3.98Å; M650-A662 HydrophobicContact SD-CB 4.44Å; M650-L663 HydrophobicContact CE-CD2 3.54Å; M650-L663 HydrophobicContact CE-CG 4.19Å; M650-L663 HydrophobicContact SD-CD2 4.13Å; M650-L663 HydrophobicContact SD-CG 4.34Å; M650-L666 HydrophobicContact CE-CD1 4.29Å; M650-L666 HydrophobicContact SD-CD1 3.49Å; M650-L666 WeakPolarHBondContact SD-CD1 3.35Å; M650-H689 HydrophobicContact CB-CB 4.42Å; M650-H689 HydrophobicContact CE-CB 3.9Å; M650-A690 HydrophobicContact CE-CB 4.35Å; M650-L693 HydrophobicContact CB-CD1 3.97Å; M650-L693 HydrophobicContact CE-CD1 4.13Å; M650-L693 HydrophobicContact CG-CD1 4.11Å; M650-L693 VanDerWaalsContact O-CD2 3.23Å; M650-L693 WeakPolarHBondContact O-CD2 3.19Å; M650-L693 WeakPolarHBondContact O-CG 3.48Å
651K89.9Confident94Very high89 Ų8936.7 Ų36.739%0.38720%0.198SC..SBendtrans-59.2140.3176.8-60.2166.1-171.5149.80110.6S648 Q653 A654 Q659S648-K651 WeakPolarHBondContact O-CD 3.49Å; S648-K651 VanDerWaalsContact O-CE 3.22Å; S648-K651 WeakPolarHBondContact O-CE 3.37Å; S648-K651 PolarHBondContact O-NZ 3.06Å; K651-Q653 PolarHBondContact O-N 3.24Å; K651-A654 HydrophobicContact CB-CB 4.44Å; K651-A654 WeakPolarHBondContact O-CB 3.12Å; K651-A654 PolarHBondContact O-N 3.14Å; K651-Q659 PolarHBondContact O-NE2 3.41Å
652P85Confident94.3Very high56 Ų5634.9 Ų34.936%0.36418%0.183SC..THydrogen-bonded Turntrans-53.9-32.4-175.9-30.937.1000115.7Q659 D692 V696P652-Q659 PolarHBondContact O-NE2 3.2Å; P652-D692 HydrophobicContact CG-CB 4.03Å; P652-V696 HydrophobicContact CB-CG2 4.3Å
653Q85.5Confident94.4Very high156 Ų15634.7 Ų34.773%0.72918%0.182SC*.THydrogen-bonded Turntrans-82.5-6.4177.871.1-82.922.200115.1K651K651-Q653 PolarHBondContact O-N 3.24Å
654A90Very high94.6Very high11 Ų1136.3 Ų36.39%0.09119%0.188CC..SBendtrans-71.2167.4178.200000111.8L649 K651 Q659L649-A654 WeakPolarHBondContact O-CB 3.36Å; K651-A654 HydrophobicContact CB-CB 4.44Å; K651-A654 WeakPolarHBondContact O-CB 3.12Å; K651-A654 PolarHBondContact O-N 3.14Å; A654-Q659 HydrophobicContact CB-CG 4.08Å; A654-Q659 PolarHBondContact O-NE2 3.21Å
655R93.1Very high94.8Very high131 Ų13132 Ų3249%0.49417%0.165SC..  trans-66.2131.2-178.8-68-168.2173.1-155.6-1.6111.4E608 D609 A657 N658 Q659E608-R655 WeakPolarHBondContact O-CD 3.39Å; D609-R655 VanDerWaalsContact CA-NH1 3.25Å; D609-R655 VanDerWaalsContact CB-NH1 3.32Å; D609-R655 PolarHBondContact O-NH1 3.34Å; R655-A657 PolarHBondContact O-N 3.27Å; R655-N658 WeakPolarHBondContact O-CB 3.35Å; R655-N658 PolarHBondContact O-N 3.05Å; R655-Q659 PolarHBondContact O-N 2.89Å; R655-Q659 VanDerWaalsContact O-N 3.09Å
656P94.3Very high94.9Very high65 Ų6531 Ų3142%0.42216%0.16SC..Hα-helixtrans-58.4-26.2-178.1-29.636.1000116.2M660 I701P656-M660 WeakPolarHBondContact O-CB 3.35Å; P656-M660 PolarHBondContact O-N 2.81Å; P656-M660 VanDerWaalsContact O-N 3.15Å; P656-I701 HydrophobicContact CB-CD1 4.15Å
657A94.8Very high94.9Very high38 Ų3831 Ų3131%0.31416%0.16SC..Hα-helixtrans-67.6-41.1172.700000111.9F612 R655 L661F612-A657 HydrophobicContact CB-CB 4.09Å; F612-A657 HydrophobicContact CG-CB 4.33Å; R655-A657 PolarHBondContact O-N 3.27Å; A657-L661 WeakPolarHBondContact O-CB 3.49Å; A657-L661 VanDerWaalsContact O-CG 3.28Å; A657-L661 WeakPolarHBondContact O-CG 3.35Å; A657-L661 PolarHBondContact O-N 3.44Å
658N96.7Very high94.9Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-71.8-46.9-179.1-58.1-1.3000110.4E608 L615 L649 R655 M660 L661 A662E608-N658 PolarHBondContact O-ND2 2.96Å; L615-N658 HydrophobicContact CD1-CB 4.1Å; L649-N658 HydrophobicContact CB-CB 4.37Å; L649-N658 HydrophobicContact CD2-CB 4.36Å; R655-N658 WeakPolarHBondContact O-CB 3.35Å; R655-N658 PolarHBondContact O-N 3.05Å; N658-M660 VanDerWaalsContact C-N 3.32Å; N658-M660 PolarHBondContact O-N 2.93Å; N658-L661 PolarHBondContact O-N 2.94Å; N658-A662 VanDerWaalsContact O-CB 3.26Å; N658-A662 WeakPolarHBondContact O-CB 3.34Å; N658-A662 PolarHBondContact O-N 2.88Å
659Q96.6Very high95Very high1 Ų128.8 Ų28.81%0.00515%0.146CC..Hα-helixtrans-52.7-50174.2-67.6169.2-28.100111.3L649 K651 P652 A654 R655 L663 L693 I701L649-Q659 WeakPolarHBondContact O-CG 3.23Å; K651-Q659 PolarHBondContact O-NE2 3.41Å; P652-Q659 PolarHBondContact O-NE2 3.2Å; A654-Q659 HydrophobicContact CB-CG 4.08Å; A654-Q659 PolarHBondContact O-NE2 3.21Å; R655-Q659 PolarHBondContact O-N 2.89Å; R655-Q659 VanDerWaalsContact O-N 3.09Å; Q659-L663 WeakPolarHBondContact O-CG 3.37Å; Q659-L663 PolarHBondContact O-N 2.64Å; Q659-L663 VanDerWaalsContact O-N 3.09Å; Q659-L693 HydrophobicContact CB-CD1 4.4Å; Q659-L693 HydrophobicContact CG-CD2 4.15Å; Q659-I701 HydrophobicContact CB-CD1 3.77Å; Q659-I701 HydrophobicContact CB-CG1 4.37Å
660M96.1Very high94.9Very high13 Ų1329.1 Ų29.16%0.06415%0.147CC..Hα-helixtrans-63.9-45.5180178.6-86-65.100112.3P656 N658 R664 N700 I701P656-M660 WeakPolarHBondContact O-CB 3.35Å; P656-M660 PolarHBondContact O-N 2.81Å; P656-M660 VanDerWaalsContact O-N 3.15Å; N658-M660 VanDerWaalsContact C-N 3.32Å; N658-M660 PolarHBondContact O-N 2.93Å; M660-R664 VanDerWaalsContact O-CG 3.32Å; M660-R664 WeakPolarHBondContact O-CG 3.24Å; M660-R664 PolarHBondContact O-N 2.71Å; M660-R664 VanDerWaalsContact SD-CD 3.53Å; M660-R664 HydrophobicContact SD-CG 4.24Å; M660-R664 PolarHBondContact SD-NE 3.43Å; M660-R664 VanDerWaalsContact SD-NE 3.35Å; M660-N700 HydrophobicContact CG-CB 3.88Å; M660-I701 HydrophobicContact CB-CG1 3.9Å
661L97.9Very high94.8Very high3 Ų331.7 Ų31.72%0.01617%0.165CC..Hα-helixtrans-71.3-36.4-179.7-70.1170.7000112.2F612 L615 D616 R619 A657 N658 R664 T665F612-L661 HydrophobicContact CB-CD1 3.98Å; F612-L661 WeakPolarHBondContact O-CD1 3.47Å; L615-L661 HydrophobicContact CB-CB 3.75Å; L615-L661 HydrophobicContact CB-CD1 3.91Å; L615-L661 HydrophobicContact CB-CG 4.45Å; L615-L661 HydrophobicContact CD1-CB 4.45Å; D616-L661 HydrophobicContact CB-CD1 4.17Å; D616-L661 HydrophobicContact CB-CD2 4.19Å; R619-L661 HydrophobicContact CG-CD2 4.35Å; A657-L661 WeakPolarHBondContact O-CB 3.49Å; A657-L661 VanDerWaalsContact O-CG 3.28Å; A657-L661 WeakPolarHBondContact O-CG 3.35Å; A657-L661 PolarHBondContact O-N 3.44Å; N658-L661 PolarHBondContact O-N 2.94Å; L661-R664 PolarHBondContact O-N 3.15Å; L661-T665 PolarHBondContact O-N 2.93Å; L661-T665 PolarHBondContact O-OG1 3.42Å
662A98.3Very high94.8Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-60.8-48.3174.100000111.6L646 L649 M650 N658 R664 T665 L666L646-A662 HydrophobicContact CB-CB 4.33Å; L646-A662 HydrophobicContact CD2-CB 4.1Å; L649-A662 HydrophobicContact CB-CB 4.27Å; M650-A662 HydrophobicContact CG-CB 3.98Å; M650-A662 HydrophobicContact SD-CB 4.44Å; N658-A662 VanDerWaalsContact O-CB 3.26Å; N658-A662 WeakPolarHBondContact O-CB 3.34Å; N658-A662 PolarHBondContact O-N 2.88Å; A662-R664 VanDerWaalsContact C-N 3.31Å; A662-R664 PolarHBondContact O-N 2.9Å; A662-T665 WeakPolarHBondContact O-CB 3.28Å; A662-T665 PolarHBondContact O-N 3.07Å; A662-L666 WeakPolarHBondContact O-CG 3.13Å; A662-L666 PolarHBondContact O-N 3.19Å
663L98Very high95Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-57.3-41.8172.6-77.5170.1000112.4M650 Q659 L666 C667 L693 I701 A704 L705 L708M650-L663 HydrophobicContact CE-CD2 3.54Å; M650-L663 HydrophobicContact CE-CG 4.19Å; M650-L663 HydrophobicContact SD-CD2 4.13Å; M650-L663 HydrophobicContact SD-CG 4.34Å; Q659-L663 WeakPolarHBondContact O-CG 3.37Å; Q659-L663 PolarHBondContact O-N 2.64Å; Q659-L663 VanDerWaalsContact O-N 3.09Å; L663-L666 PolarHBondContact O-N 2.89Å; L663-C667 PolarHBondContact O-N 3.32Å; L663-C667 PolarHBondContact O-SG 3.13Å; L663-L693 HydrophobicContact CD1-CD1 3.8Å; L663-L693 HydrophobicContact CG-CD1 4.24Å; L663-I701 HydrophobicContact CD1-CG2 3.75Å; L663-A704 HydrophobicContact CB-CB 3.61Å; L663-A704 HydrophobicContact CD1-CB 4.15Å; L663-L705 HydrophobicContact CD1-CB 4.22Å; L663-L708 HydrophobicContact CD2-CD2 3.7Å
664R98.3Very high95.4Very high34 Ų3430.1 Ų30.113%0.12815%0.148CC..Hα-helixtrans-66.4-37.4176.8-72.1-174.5175.4174.4-0112.8F543 R619 M660 L661 A662 C667 N668 A704F543-R664 HydrophobicContact CB-CB 4.18Å; F543-R664 HydrophobicContact CB-CG 4.03Å; F543-R664 HydrophobicContact CD1-CG 3.96Å; F543-R664 HydrophobicContact CD2-CB 4Å; F543-R664 HydrophobicContact CD2-CG 3.62Å; F543-R664 HydrophobicContact CE1-CG 4.34Å; F543-R664 HydrophobicContact CE2-CG 4.01Å; F543-R664 HydrophobicContact CG-CB 4.13Å; F543-R664 HydrophobicContact CG-CG 3.58Å; F543-R664 HydrophobicContact CZ-CG 4.36Å; R619-R664 HydrophobicContact CB-CB 4.29Å; M660-R664 VanDerWaalsContact O-CG 3.32Å; M660-R664 WeakPolarHBondContact O-CG 3.24Å; M660-R664 PolarHBondContact O-N 2.71Å; M660-R664 VanDerWaalsContact SD-CD 3.53Å; M660-R664 HydrophobicContact SD-CG 4.24Å; M660-R664 PolarHBondContact SD-NE 3.43Å; M660-R664 VanDerWaalsContact SD-NE 3.35Å; L661-R664 PolarHBondContact O-N 3.15Å; A662-R664 VanDerWaalsContact C-N 3.31Å; A662-R664 PolarHBondContact O-N 2.9Å; R664-C667 PolarHBondContact O-N 2.72Å; R664-N668 WeakPolarHBondContact O-CB 3.39Å; R664-N668 VanDerWaalsContact O-CG 3.28Å; R664-N668 PolarHBondContact O-N 2.93Å; R664-A704 HydrophobicContact CG-CB 4.05Å
665T98.4Very high95.6Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-60.4-49.5172.1-56.60000110.1L618 R619 V622 L646 L661 A662 C667 N668 C669L618-T665 HydrophobicContact CD2-CG2 4.3Å; L618-T665 HydrophobicContact CG-CG2 4.02Å; R619-T665 WeakPolarHBondContact CB-OG1 3.37Å; V622-T665 HydrophobicContact CG1-CG2 4.01Å; L646-T665 HydrophobicContact CD1-CG2 3.73Å; L646-T665 HydrophobicContact CD2-CG2 4.16Å; L661-T665 PolarHBondContact O-N 2.93Å; L661-T665 PolarHBondContact O-OG1 3.42Å; A662-T665 WeakPolarHBondContact O-CB 3.28Å; A662-T665 PolarHBondContact O-N 3.07Å; T665-C667 PolarHBondContact O-N 3.36Å; T665-N668 CarbonylContact O-C 3.55Å; T665-N668 PolarHBondContact O-N 3.36Å; T665-C669 PolarHBondContact O-N 2.92Å; T665-C669 PolarHBondContact O-SG 3.04Å
666L98.3Very high95.5Very high1 Ų127.3 Ų27.31%0.00514%0.135CC..Hα-helixtrans-58.4-43.9176.8-64.9169.7000112L646 M650 A662 L663 N668 C669 F670 L679 V686 L708L646-L666 HydrophobicContact CB-CD2 4.38Å; L646-L666 HydrophobicContact CD1-CD2 3.7Å; L646-L666 HydrophobicContact CD1-CG 4.03Å; M650-L666 HydrophobicContact CE-CD1 4.29Å; M650-L666 HydrophobicContact SD-CD1 3.49Å; M650-L666 WeakPolarHBondContact SD-CD1 3.35Å; A662-L666 WeakPolarHBondContact O-CG 3.13Å; A662-L666 PolarHBondContact O-N 3.19Å; L663-L666 PolarHBondContact O-N 2.89Å; L666-N668 VanDerWaalsContact C-N 3.29Å; L666-N668 PolarHBondContact O-N 2.86Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 2.79Å; L666-F670 WeakPolarHBondContact O-CD2 3.39Å; L666-L679 HydrophobicContact CD2-CD2 3.68Å; L666-L679 WeakPolarHBondContact O-CD1 3.41Å; L666-V686 HydrophobicContact CD1-CG1 4.17Å; L666-L708 HydrophobicContact CB-CD1 3.87Å; L666-L708 HydrophobicContact CB-CD2 4.44Å; L666-L708 HydrophobicContact CD1-CD2 4.28Å
667C98.3Very high95.4Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-57.6-44.4173.8-64.90000111.6F543 L663 R664 T665 C669 F670 A704 T707 L708 N711F543-C667 HydrophobicContact CD2-CB 3.88Å; F543-C667 HydrophobicContact CE2-CB 3.93Å; L663-C667 PolarHBondContact O-N 3.32Å; L663-C667 PolarHBondContact O-SG 3.13Å; R664-C667 PolarHBondContact O-N 2.72Å; T665-C667 PolarHBondContact O-N 3.36Å; C667-C669 VanDerWaalsContact C-N 3.34Å; C667-C669 PolarHBondContact O-N 3.3Å; C667-F670 WeakPolarHBondContact O-CB 3.5Å; C667-F670 PolarHBondContact O-N 3.43Å; C667-A704 PolarHBondContact SG-O 3.26Å; C667-T707 HydrophobicContact CB-CG2 4.34Å; C667-L708 PolarHBondContact SG-N 3.27Å; C667-L708 VanDerWaalsContact SG-N 3.43Å; C667-N711 PolarHBondContact O-ND2 2.92Å; C667-N711 VanDerWaalsContact O-ND2 3.15Å
668N97.6Very high95.4Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-72.8-23.1-176.9-76.11.2000113.6T542 F543 R619 V622 R623 R664 T665 L666 F670 S671T542-N668 VanDerWaalsContact CA-OD1 3.28Å; T542-N668 WeakPolarHBondContact CA-OD1 3.43Å; T542-N668 WeakPolarHBondContact CB-OD1 3.46Å; F543-N668 PolarHBondContact N-OD1 3.15Å; F543-N668 PolarHBondContact O-ND2 3.39Å; R619-N668 WeakPolarHBondContact O-CB 3.34Å; R619-N668 PolarHBondContact O-ND2 3.47Å; V622-N668 HydrophobicContact CG1-CB 3.71Å; R623-N668 WeakPolarHBondContact CD-ND2 3.46Å; R623-N668 HydrophobicContact CG-CB 3.71Å; R664-N668 WeakPolarHBondContact O-CB 3.39Å; R664-N668 VanDerWaalsContact O-CG 3.28Å; R664-N668 PolarHBondContact O-N 2.93Å; T665-N668 CarbonylContact O-C 3.55Å; T665-N668 PolarHBondContact O-N 3.36Å; L666-N668 VanDerWaalsContact C-N 3.29Å; L666-N668 PolarHBondContact O-N 2.86Å; N668-F670 PolarHBondContact O-N 2.87Å; N668-S671 VanDerWaalsContact O-CB 3.29Å; N668-S671 WeakPolarHBondContact O-CB 3.3Å; N668-S671 PolarHBondContact O-N 3.19Å; N668-S671 VanDerWaalsContact O-N 3.08Å; N668-S671 PolarHBondContact O-OG 3Å
669C96.4Very high95.3Very high1 Ų125.8 Ų25.81%0.00713%0.125CC..Hα-helixtrans-57.9-31171.8-66.60000112.6N628 T665 L666 C667 S671 G672 G675 L679N628-C669 PolarHBondContact ND2-O 2.71Å; T665-C669 PolarHBondContact O-N 2.92Å; T665-C669 PolarHBondContact O-SG 3.04Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 2.79Å; C667-C669 VanDerWaalsContact C-N 3.34Å; C667-C669 PolarHBondContact O-N 3.3Å; C669-S671 PolarHBondContact O-N 3.35Å; C669-S671 VanDerWaalsContact O-N 3.1Å; C669-G672 PolarHBondContact O-N 3.28Å; C669-G675 WeakPolarHBondContact O-CA 3.44Å; C669-L679 HydrophobicContact CB-CD1 3.69Å; C669-L679 HydrophobicContact CB-CG 4.35Å
670F95.3Very high95.2Very high13 Ų1328.1 Ų28.16%0.05714%0.137CC..THydrogen-bonded Turntrans-64.6-9.7176.5-74.4-89.2000114.4L666 C667 N668 G672 R676 L679 L708 N711 Y712 S715L666-F670 WeakPolarHBondContact O-CD2 3.39Å; C667-F670 WeakPolarHBondContact O-CB 3.5Å; C667-F670 PolarHBondContact O-N 3.43Å; N668-F670 PolarHBondContact O-N 2.87Å; F670-G672 PolarHBondContact O-N 3.04Å; F670-R676 HydrophobicContact CD1-CB 4.19Å; F670-R676 HydrophobicContact CD1-CG 4.03Å; F670-R676 HydrophobicContact CE1-CG 4.35Å; F670-L679 HydrophobicContact CD2-CD1 3.67Å; F670-L679 HydrophobicContact CE2-CB 4.24Å; F670-L679 HydrophobicContact CE2-CD1 3.34Å; F670-L679 HydrophobicContact CE2-CG 4.44Å; F670-L679 HydrophobicContact CZ-CB 3.99Å; F670-L679 HydrophobicContact CZ-CD1 3.97Å; F670-L708 HydrophobicContact CE2-CD1 3.86Å; F670-N711 HydrophobicContact CB-CB 4.34Å; F670-N711 HydrophobicContact CD1-CB 4.04Å; F670-N711 HydrophobicContact CD2-CB 3.56Å; F670-N711 HydrophobicContact CE1-CB 4.19Å; F670-N711 HydrophobicContact CE2-CB 3.71Å; F670-N711 HydrophobicContact CG-CB 3.73Å; F670-N711 HydrophobicContact CZ-CB 4.03Å; F670-Y712 HydrophobicContact CE2-CE2 4.38Å; F670-Y712 HydrophobicContact CZ-CD1 4.07Å; F670-Y712 HydrophobicContact CZ-CD2 4.04Å; F670-Y712 HydrophobicContact CZ-CE1 4.05Å; F670-Y712 HydrophobicContact CZ-CE2 4.03Å; F670-Y712 HydrophobicContact CZ-CG 4.06Å; F670-S715 WeakPolarHBondContact CD1-OG 3.34Å; F670-S715 VanDerWaalsContact CE1-OG 3.23Å; F670-S715 WeakPolarHBondContact CE1-OG 3.47Å
671S92.6Very high94.9Very high54 Ų5431.3 Ų31.338%0.37817%0.166SC..THydrogen-bonded Turntrans-64.9-24.1173.8-43.70000112.7T542 N668 C669T542-S671 VanDerWaalsContact CG2-OG 3.31Å; T542-S671 WeakPolarHBondContact CG2-OG 3.35Å; N668-S671 VanDerWaalsContact O-CB 3.29Å; N668-S671 WeakPolarHBondContact O-CB 3.3Å; N668-S671 PolarHBondContact O-N 3.19Å; N668-S671 VanDerWaalsContact O-N 3.08Å; N668-S671 PolarHBondContact O-OG 3Å; C669-S671 PolarHBondContact O-N 3.35Å; C669-S671 VanDerWaalsContact O-N 3.1Å
672G89.9Confident94.7Very high18 Ų1833.5 Ų33.519%0.18618%0.176CC..SBendtrans-122152.6-179.700000112.5N628 C669 F670 R674 G675 R676N628-G672 WeakPolarHBondContact OD1-CA 3.22Å; C669-G672 PolarHBondContact O-N 3.28Å; F670-G672 PolarHBondContact O-N 3.04Å; G672-R674 VanDerWaalsContact C-N 3.33Å; G672-R674 PolarHBondContact O-N 3.38Å; G672-G675 PolarHBondContact O-N 3.2Å; G672-R676 PolarHBondContact O-N 3.09Å
673W89.7Confident94.5Very high173 Ų17334.7 Ų34.766%0.65518%0.181SC*.Hα-helixtrans-65.8-34.3-176.774.7-90.9000112.9R676 A677W673-R676 PolarHBondContact O-N 3.01Å; W673-A677 WeakPolarHBondContact O-CB 3.34Å; W673-A677 PolarHBondContact O-N 3.19Å
674R92Very high93.9Very high76 Ų7639.5 Ų39.529%0.28720%0.203SC..Hα-helixtrans-62.6-52174.5-67.5-70.7-161.6162.32.3110.8E629 C632 G633 G672 R676 A677 L678E629-R674 HydrophobicContact CB-CG 4.46Å; E629-R674 HydrophobicContact CG-CG 4.47Å; E629-R674 IonicContact OE1-CZ 3Å; E629-R674 IonicContact OE1-NE 3.49Å; E629-R674 PolarHBondContact OE1-NE 3Å; E629-R674 IonicContact OE1-NH2 2.75Å; E629-R674 PolarHBondContact OE1-NH2 3.3Å; C632-R674 HydrophobicContact CB-CB 4.17Å; G633-R674 PolarHBondContact O-NH1 3.45Å; G672-R674 VanDerWaalsContact C-N 3.33Å; G672-R674 PolarHBondContact O-N 3.38Å; R674-R676 PolarHBondContact O-N 3.15Å; R674-A677 PolarHBondContact O-N 3.09Å; R674-L678 WeakPolarHBondContact O-CB 2.99Å; R674-L678 PolarHBondContact O-N 3.43Å
675G94.1Very high93.6Very high0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-60.3-41175.900000113.4N628 C669 G672 L678 L679N628-G675 PolarHBondContact OD1-N 2.79Å; C669-G675 WeakPolarHBondContact O-CA 3.44Å; G672-G675 PolarHBondContact O-N 3.2Å; G675-L678 PolarHBondContact O-N 2.89Å; G675-L679 WeakPolarHBondContact O-CB 3.47Å; G675-L679 VanDerWaalsContact O-CG 3.31Å; G675-L679 WeakPolarHBondContact O-CG 3.22Å; G675-L679 PolarHBondContact O-N 3.07Å
676R92.8Very high93.5Very high84 Ų8439.5 Ų39.532%0.31721%0.21SC..Hα-helixtrans-63-42.3173.5-178.6167.9168.6158.6-6.8112.3F670 G672 W673 R674 L680 S715F670-R676 HydrophobicContact CD1-CB 4.19Å; F670-R676 HydrophobicContact CD1-CG 4.03Å; F670-R676 HydrophobicContact CE1-CG 4.35Å; G672-R676 PolarHBondContact O-N 3.09Å; W673-R676 PolarHBondContact O-N 3.01Å; R674-R676 PolarHBondContact O-N 3.15Å; R676-L680 HydrophobicContact CG-CD1 4.14Å; R676-L680 WeakPolarHBondContact O-CB 3.29Å; R676-L680 VanDerWaalsContact O-CG 3.29Å; R676-L680 WeakPolarHBondContact O-CG 3.41Å; R676-L680 PolarHBondContact O-N 3.33Å; R676-S715 PolarHBondContact NE-OG 3.44Å; R676-S715 PolarHBondContact NH2-O 3.38Å
677A92.4Very high93.2Very high51 Ų5139.7 Ų39.742%0.42121%0.211SC..Hα-helixtrans-65.3-46.8176.600000112.2W673 R674 L679 L680 A681W673-A677 WeakPolarHBondContact O-CB 3.34Å; W673-A677 PolarHBondContact O-N 3.19Å; R674-A677 PolarHBondContact O-N 3.09Å; A677-L679 PolarHBondContact O-N 2.89Å; A677-L680 PolarHBondContact O-N 3.03Å; A677-A681 WeakPolarHBondContact O-CB 3.46Å; A677-A681 PolarHBondContact O-N 3.02Å
678L94Very high92.7Very high18 Ų1843 Ų439%0.09423%0.234CC..Hα-helixtrans-56.6-48175.2171.662.8000111.7C632 G639 R674 G675 A681 Q682C632-L678 HydrophobicContact CB-CB 4.47Å; C632-L678 HydrophobicContact CB-CD2 3.74Å; G639-L678 WeakPolarHBondContact O-CD2 3.32Å; R674-L678 WeakPolarHBondContact O-CB 2.99Å; R674-L678 PolarHBondContact O-N 3.43Å; G675-L678 PolarHBondContact O-N 2.89Å; L678-A681 PolarHBondContact O-N 2.71Å; L678-Q682 HydrophobicContact CD1-CG 4Å; L678-Q682 WeakPolarHBondContact O-CB 3.1Å; L678-Q682 PolarHBondContact O-N 3.02Å
679L95.1Very high92.5Very high1 Ų145.7 Ų45.71%0.00525%0.247CC..Hα-helixtrans-72.3-28.7-178.2-69.2-174.8000113.2L666 C669 F670 G675 A677 Q682 R683 V686 Y712L666-L679 HydrophobicContact CD2-CD2 3.68Å; L666-L679 WeakPolarHBondContact O-CD1 3.41Å; C669-L679 HydrophobicContact CB-CD1 3.69Å; C669-L679 HydrophobicContact CB-CG 4.35Å; F670-L679 HydrophobicContact CD2-CD1 3.67Å; F670-L679 HydrophobicContact CE2-CB 4.24Å; F670-L679 HydrophobicContact CE2-CD1 3.34Å; F670-L679 HydrophobicContact CE2-CG 4.44Å; F670-L679 HydrophobicContact CZ-CB 3.99Å; F670-L679 HydrophobicContact CZ-CD1 3.97Å; G675-L679 WeakPolarHBondContact O-CB 3.47Å; G675-L679 VanDerWaalsContact O-CG 3.31Å; G675-L679 WeakPolarHBondContact O-CG 3.22Å; G675-L679 PolarHBondContact O-N 3.07Å; A677-L679 PolarHBondContact O-N 2.89Å; L679-Q682 CarbonylContact O-C 3.58Å; L679-R683 VanDerWaalsContact O-CA 3.25Å; L679-R683 WeakPolarHBondContact O-CA 3.41Å; L679-R683 PolarHBondContact O-N 3.2Å; L679-V686 HydrophobicContact CD2-CG2 4.11Å; L679-Y712 WeakPolarHBondContact O-CE1 3.35Å; L679-Y712 PolarHBondContact O-OH 3.35Å
680L93Very high92.3Very high51 Ų5145.7 Ų45.727%0.26725%0.247SC..Hα-helixtrans-69.2-37.2168.7-73.5170.4000111.9R676 A677 R683 Y712 L716R676-L680 HydrophobicContact CG-CD1 4.14Å; R676-L680 WeakPolarHBondContact O-CB 3.29Å; R676-L680 VanDerWaalsContact O-CG 3.29Å; R676-L680 WeakPolarHBondContact O-CG 3.41Å; R676-L680 PolarHBondContact O-N 3.33Å; A677-L680 PolarHBondContact O-N 3.03Å; L680-R683 VanDerWaalsContact O-CB 3.26Å; L680-R683 WeakPolarHBondContact O-CB 3.32Å; L680-Y712 HydrophobicContact CD2-CD1 4.28Å; L680-Y712 HydrophobicContact CD2-CE1 4.43Å; L680-L716 HydrophobicContact CD2-CD2 3.89Å; L680-L716 HydrophobicContact CD2-CG 4.46Å
681A91.3Very high91.9Very high80 Ų8046.6 Ų46.666%0.66126%0.257SS*.Hα-helixtrans-69.8-36.417500000113A677 L678A677-A681 WeakPolarHBondContact O-CB 3.46Å; A677-A681 PolarHBondContact O-N 3.02Å; L678-A681 PolarHBondContact O-N 2.71Å
682Q92.8Very high91.7Very high49 Ų4948 Ų4823%0.22926%0.26CS..THydrogen-bonded Turntrans-95.513.6178.3-63.9-60.7-44.800113.6C643 L678 L679 E684 A685 V686C643-Q682 HydrophobicContact CB-CG 4.31Å; L678-Q682 HydrophobicContact CD1-CG 4Å; L678-Q682 WeakPolarHBondContact O-CB 3.1Å; L678-Q682 PolarHBondContact O-N 3.02Å; L679-Q682 CarbonylContact O-C 3.58Å; Q682-E684 VanDerWaalsContact C-N 3.29Å; Q682-E684 PolarHBondContact O-N 3.47Å; Q682-E684 VanDerWaalsContact O-N 3.15Å; Q682-A685 PolarHBondContact O-N 2.64Å; Q682-V686 HydrophobicContact CB-CG2 4.22Å; Q682-V686 WeakPolarHBondContact O-CG2 3.2Å; Q682-V686 PolarHBondContact O-N 2.75Å
683R93.8Very high91.7Very high25 Ų2547.1 Ų47.19%0.09425%0.251CS..Hα-helixtrans-47.4-46.8-172.7176.7-176.675.2-142.315.7113.8L679 L680 V686 L687 Y712 D721 E723 A724L679-R683 VanDerWaalsContact O-CA 3.25Å; L679-R683 WeakPolarHBondContact O-CA 3.41Å; L679-R683 PolarHBondContact O-N 3.2Å; L680-R683 VanDerWaalsContact O-CB 3.26Å; L680-R683 WeakPolarHBondContact O-CB 3.32Å; R683-V686 PolarHBondContact O-N 3.33Å; R683-L687 HydrophobicContact CG-CD1 3.78Å; R683-L687 HydrophobicContact CG-CG 4.39Å; R683-L687 VanDerWaalsContact O-CB 3.29Å; R683-L687 WeakPolarHBondContact O-CB 3.17Å; R683-L687 WeakPolarHBondContact O-CG 3.28Å; R683-L687 PolarHBondContact O-N 2.99Å; R683-Y712 HydrophobicContact CB-CE1 3.93Å; R683-Y712 HydrophobicContact CG-CD1 4.16Å; R683-Y712 HydrophobicContact CG-CE1 3.8Å; R683-D721 IonicContact CZ-OD2 2.71Å; R683-D721 IonicContact NH1-OD2 3.03Å; R683-D721 PolarHBondContact NH1-OD2 2.88Å; R683-D721 IonicContact NH2-OD2 3.79Å; R683-E723 IonicContact NH2-OE2 2.79Å; R683-E723 PolarHBondContact NH2-OE2 3.25Å; R683-A724 VanDerWaalsContact NH1-CB 3.31Å
684E86.8Confident91.5Very high100 Ų10039.3 Ų39.347%0.46722%0.223SC..Hα-helixtrans-66.6-49.3-174.3-173.9167.4143.100112.5K142 Q682 V686 S688K142-E684 VanDerWaalsContact CD-OE2 3.32Å; K142-E684 WeakPolarHBondContact CD-OE2 3.34Å; K142-E684 WeakPolarHBondContact CE-OE2 3.46Å; K142-E684 IonicContact NZ-OE2 3.02Å; K142-E684 PolarHBondContact NZ-OE2 3.32Å; Q682-E684 VanDerWaalsContact C-N 3.29Å; Q682-E684 PolarHBondContact O-N 3.47Å; Q682-E684 VanDerWaalsContact O-N 3.15Å; E684-V686 VanDerWaalsContact C-N 3.32Å; E684-V686 PolarHBondContact O-N 2.68Å; E684-S688 WeakPolarHBondContact O-CB 3.4Å; E684-S688 PolarHBondContact O-N 2.94Å
685A90.9Very high91.1Very high35 Ų3539.8 Ų39.829%0.28924%0.238SC..Hα-helixtrans-62.1-42.5176.600000111.2L647 Q682 H689L647-A685 HydrophobicContact CD1-CB 3.91Å; Q682-A685 PolarHBondContact O-N 2.64Å; A685-H689 PolarHBondContact O-N 2.85Å; A685-H689 PolarHBondContact O-ND1 3.01Å
686V95.6Very high90.7Very high0 Ų041 Ų410%025%0.245CC..Hα-helixtrans-67-49.1-178.91730000112.4L647 L666 L679 Q682 R683 E684 A690 L708 Y712L647-V686 HydrophobicContact CD1-CG2 4.45Å; L647-V686 HydrophobicContact CD2-CG2 4.21Å; L666-V686 HydrophobicContact CD1-CG1 4.17Å; L679-V686 HydrophobicContact CD2-CG2 4.11Å; Q682-V686 HydrophobicContact CB-CG2 4.22Å; Q682-V686 WeakPolarHBondContact O-CG2 3.2Å; Q682-V686 PolarHBondContact O-N 2.75Å; R683-V686 PolarHBondContact O-N 3.33Å; E684-V686 VanDerWaalsContact C-N 3.32Å; E684-V686 PolarHBondContact O-N 2.68Å; V686-A690 WeakPolarHBondContact O-CB 3.36Å; V686-A690 PolarHBondContact O-N 3.03Å; V686-L708 HydrophobicContact CG1-CD1 4.5Å; V686-L708 HydrophobicContact CG1-CD2 3.86Å; V686-Y712 WeakPolarHBondContact CB-OH 3.47Å; V686-Y712 HydrophobicContact CG1-CE2 3.92Å; V686-Y712 WeakPolarHBondContact CG1-OH 3.49Å
687L93.3Very high90.3Very high4 Ų443.3 Ų43.32%0.02127%0.273CS..Hα-helixtrans-69.1-32.6179.8-73.9-178.9000112.4R683 A690 A691 V709 Y712 Q727 V731R683-L687 HydrophobicContact CG-CD1 3.78Å; R683-L687 HydrophobicContact CG-CG 4.39Å; R683-L687 VanDerWaalsContact O-CB 3.29Å; R683-L687 WeakPolarHBondContact O-CB 3.17Å; R683-L687 WeakPolarHBondContact O-CG 3.28Å; R683-L687 PolarHBondContact O-N 2.99Å; L687-A690 PolarHBondContact O-N 3.35Å; L687-A691 WeakPolarHBondContact O-CB 3.39Å; L687-A691 PolarHBondContact O-N 3.05Å; L687-V709 HydrophobicContact CD2-CG2 4.36Å; L687-Y712 HydrophobicContact CD1-CG 4.49Å; L687-Y712 HydrophobicContact CD2-CD2 3.61Å; L687-Y712 HydrophobicContact CD2-CE2 3.85Å; L687-Y712 HydrophobicContact CD2-CG 4.3Å; L687-Y712 HydrophobicContact CG-CD2 4.13Å; L687-Y712 HydrophobicContact CG-CE2 4.07Å; L687-Q727 HydrophobicContact CD1-CB 4.22Å; L687-V731 HydrophobicContact CB-CG2 4.18Å
688S88Confident90.2Very high69 Ų6943 Ų4348%0.48326%0.264SS..Hα-helixtrans-63.9-51174.9-172.30000112.1E684 A690 A691 D692E684-S688 WeakPolarHBondContact O-CB 3.4Å; E684-S688 PolarHBondContact O-N 2.94Å; S688-A690 VanDerWaalsContact C-N 3.26Å; S688-A690 PolarHBondContact O-N 2.83Å; S688-A691 WeakPolarHBondContact O-CB 3.44Å; S688-A691 PolarHBondContact O-N 2.99Å; S688-A691 VanDerWaalsContact O-N 3.08Å; S688-D692 PolarHBondContact O-N 3.42Å
689H92.1Very high90.2Very high58 Ų5848.3 Ų48.327%0.26929%0.286SS..Hα-helixtrans-66.7-28.5176.2-69.776.6000112.5L647 M650 A685L647-H689 HydrophobicContact CD2-CB 3.73Å; M650-H689 HydrophobicContact CB-CB 4.42Å; M650-H689 HydrophobicContact CE-CB 3.9Å; A685-H689 PolarHBondContact O-N 2.85Å; A685-H689 PolarHBondContact O-ND1 3.01Å
690A91.9Very high90.2Very high0 Ų050.4 Ų50.40%030%0.297CS..Hα-helixtrans-67.1-40.6171.300000111.4M650 V686 L687 S688 D692 L693 L705 L708M650-A690 HydrophobicContact CE-CB 4.35Å; V686-A690 WeakPolarHBondContact O-CB 3.36Å; V686-A690 PolarHBondContact O-N 3.03Å; L687-A690 PolarHBondContact O-N 3.35Å; S688-A690 VanDerWaalsContact C-N 3.26Å; S688-A690 PolarHBondContact O-N 2.83Å; A690-D692 PolarHBondContact O-N 2.73Å; A690-L693 PolarHBondContact O-N 3.38Å; A690-L705 HydrophobicContact CB-CG 4.45Å; A690-L705 WeakPolarHBondContact O-CD1 3.31Å; A690-L708 HydrophobicContact CB-CD2 4.21Å
691A87.9Confident90.3Very high33 Ų3348 Ų4827%0.27329%0.285SS..Hα-helixtrans-60.8-43177.200000112.2L687 S688 L693 C694 V731L687-A691 WeakPolarHBondContact O-CB 3.39Å; L687-A691 PolarHBondContact O-N 3.05Å; S688-A691 WeakPolarHBondContact O-CB 3.44Å; S688-A691 PolarHBondContact O-N 2.99Å; S688-A691 VanDerWaalsContact O-N 3.08Å; A691-L693 PolarHBondContact O-N 3.4Å; A691-C694 WeakPolarHBondContact O-CB 3.35Å; A691-C694 PolarHBondContact O-N 3.32Å; A691-C694 PolarHBondContact O-SG 3.23Å; A691-V731 HydrophobicContact CB-CG1 4.29Å; A691-V731 HydrophobicContact CB-CG2 4.22Å
692D87.8Confident90.5Very high82 Ų8244.8 Ų44.844%0.43926%0.256SS..Hα-helixtrans-55.1-36.8175.9-71.6-26.2000112.7P652 S688 A690 C694 S695P652-D692 HydrophobicContact CG-CB 4.03Å; S688-D692 PolarHBondContact O-N 3.42Å; A690-D692 PolarHBondContact O-N 2.73Å; D692-C694 VanDerWaalsContact C-N 3.26Å; D692-C694 PolarHBondContact O-N 2.99Å; D692-S695 PolarHBondContact O-N 2.94Å; D692-S695 PolarHBondContact O-OG 3.28Å
693L90.3Very high90.7Very high0 Ų043.8 Ų43.80%025%0.252CS..G310 helixtrans-73.7-8.7179.1-71.2179.8000114.4M650 Q659 L663 A690 A691 S695 V696 I701 L705M650-L693 HydrophobicContact CB-CD1 3.97Å; M650-L693 HydrophobicContact CE-CD1 4.13Å; M650-L693 HydrophobicContact CG-CD1 4.11Å; M650-L693 VanDerWaalsContact O-CD2 3.23Å; M650-L693 WeakPolarHBondContact O-CD2 3.19Å; M650-L693 WeakPolarHBondContact O-CG 3.48Å; Q659-L693 HydrophobicContact CB-CD1 4.4Å; Q659-L693 HydrophobicContact CG-CD2 4.15Å; L663-L693 HydrophobicContact CD1-CD1 3.8Å; L663-L693 HydrophobicContact CG-CD1 4.24Å; A690-L693 PolarHBondContact O-N 3.38Å; A691-L693 PolarHBondContact O-N 3.4Å; L693-S695 PolarHBondContact O-N 3.06Å; L693-V696 HydrophobicContact CD2-CB 4.45Å; L693-V696 HydrophobicContact CD2-CG2 3.73Å; L693-V696 PolarHBondContact O-N 2.86Å; L693-V696 VanDerWaalsContact O-N 3.12Å; L693-I701 HydrophobicContact CB-CG2 4.11Å; L693-I701 HydrophobicContact CD1-CG2 4.24Å; L693-L705 HydrophobicContact CB-CD1 4.2Å
694C86.5Confident90.8Very high10 Ų1042.6 Ų42.67%0.06825%0.247CC..G310 helixtrans-60.6-23.9171.8-61.80000112.2A691 D692 H702 S738A691-C694 WeakPolarHBondContact O-CB 3.35Å; A691-C694 PolarHBondContact O-N 3.32Å; A691-C694 PolarHBondContact O-SG 3.23Å; D692-C694 VanDerWaalsContact C-N 3.26Å; D692-C694 PolarHBondContact O-N 2.99Å; C694-H702 PolarHBondContact O-NE2 2.82Å; C694-S738 WeakPolarHBondContact O-CB 3.49Å; C694-S738 PolarHBondContact O-OG 2.9Å
695S81.9Confident91.3Very high85 Ų8537.8 Ų37.859%0.59423%0.225SC*.G310 helixtrans-80.2-13.4178.565.90000114.2D692 L693 C697D692-S695 PolarHBondContact O-N 2.94Å; D692-S695 PolarHBondContact O-OG 3.28Å; L693-S695 PolarHBondContact O-N 3.06Å; S695-C697 PolarHBondContact O-N 3.32Å
696V86.3Confident91.6Very high25 Ų2536.1 Ų36.115%0.15221%0.211CC..SBendtrans-88.5111.6-170.51790000110.7P652 L693 N698 I701 H702P652-V696 HydrophobicContact CB-CG2 4.3Å; L693-V696 HydrophobicContact CD2-CB 4.45Å; L693-V696 HydrophobicContact CD2-CG2 3.73Å; L693-V696 PolarHBondContact O-N 2.86Å; L693-V696 VanDerWaalsContact O-N 3.12Å; V696-N698 VanDerWaalsContact C-N 3.26Å; V696-N698 HydrophobicContact CG1-CB 4.49Å; V696-N698 PolarHBondContact O-N 2.98Å; V696-I701 HydrophobicContact CG1-CD1 3.88Å; V696-H702 PolarHBondContact O-NE2 3.2Å
697C83.6Confident91.8Very high133 Ų13336.1 Ų36.190%0.89921%0.211SC*.  trans-6568-177.1-650000115.1S695S695-C697 PolarHBondContact O-N 3.32Å
698N91.9Very high92Very high44 Ų4436 Ų3624%0.23521%0.21CC..  trans-145.8113.4178.3-173.1-37.1000111.7V696 N700 I701 H702V696-N698 VanDerWaalsContact C-N 3.26Å; V696-N698 HydrophobicContact CG1-CB 4.49Å; V696-N698 PolarHBondContact O-N 2.98Å; N698-N700 VanDerWaalsContact C-N 3.25Å; N698-N700 PolarHBondContact O-N 2.71Å; N698-N700 VanDerWaalsContact O-N 3.15Å; N698-N700 WeakPolarHBondContact OD1-CB 3.23Å; N698-N700 PolarHBondContact OD1-N 3.19Å; N698-I701 HydrophobicContact CB-CB 4.22Å; N698-I701 HydrophobicContact CB-CD1 3.89Å; N698-I701 HydrophobicContact CB-CG1 4.02Å; N698-I701 WeakPolarHBondContact O-CB 3.5Å; N698-I701 PolarHBondContact O-N 2.74Å; N698-I701 VanDerWaalsContact O-N 3.11Å; N698-H702 PolarHBondContact O-N 3.04Å; N698-H702 VanDerWaalsContact O-N 3.08Å
699K93.8Very high92.5Very high130 Ų13032.7 Ų32.757%0.56519%0.187SC*.Hα-helixtrans-55.4-34.7-179.168.9173.6-170170.50114.4H702 I703 D741K699-H702 PolarHBondContact O-N 2.86Å; K699-I703 VanDerWaalsContact O-CG1 3.24Å; K699-I703 WeakPolarHBondContact O-CG1 3.39Å; K699-I703 PolarHBondContact O-N 3.32Å; K699-D741 HydrophobicContact CB-CB 4.12Å
700N94.1Very high92.7Very high45 Ų4530.1 Ų30.124%0.24118%0.176CC..Hα-helixtrans-74.6-30.3-176.7-65.3-22.2000111.8M660 N698 A704M660-N700 HydrophobicContact CG-CB 3.88Å; N698-N700 VanDerWaalsContact C-N 3.25Å; N698-N700 PolarHBondContact O-N 2.71Å; N698-N700 VanDerWaalsContact O-N 3.15Å; N698-N700 WeakPolarHBondContact OD1-CB 3.23Å; N698-N700 PolarHBondContact OD1-N 3.19Å; N700-A704 WeakPolarHBondContact O-CB 3.42Å; N700-A704 PolarHBondContact O-N 3.4Å
701I95.8Very high93Very high0 Ų030.3 Ų30.30%018%0.177CC..Hα-helixtrans-69-49.3171-65.2-179.9000108.8P656 Q659 M660 L663 L693 V696 N698 I703 A704 L705P656-I701 HydrophobicContact CB-CD1 4.15Å; Q659-I701 HydrophobicContact CB-CD1 3.77Å; Q659-I701 HydrophobicContact CB-CG1 4.37Å; M660-I701 HydrophobicContact CB-CG1 3.9Å; L663-I701 HydrophobicContact CD1-CG2 3.75Å; L693-I701 HydrophobicContact CB-CG2 4.11Å; L693-I701 HydrophobicContact CD1-CG2 4.24Å; V696-I701 HydrophobicContact CG1-CD1 3.88Å; N698-I701 HydrophobicContact CB-CB 4.22Å; N698-I701 HydrophobicContact CB-CD1 3.89Å; N698-I701 HydrophobicContact CB-CG1 4.02Å; N698-I701 WeakPolarHBondContact O-CB 3.5Å; N698-I701 PolarHBondContact O-N 2.74Å; N698-I701 VanDerWaalsContact O-N 3.11Å; I701-I703 PolarHBondContact O-N 2.89Å; I701-A704 PolarHBondContact O-N 2.99Å; I701-A704 VanDerWaalsContact O-N 3.09Å; I701-L705 WeakPolarHBondContact O-CB 3.2Å; I701-L705 PolarHBondContact O-N 3.21Å
702H95.3Very high93.5Very high13 Ų1328.7 Ų28.76%0.0616%0.164CC..Hα-helixtrans-58.5-41.9178.4-66.8175.4000113.5C694 V696 N698 K699 A706 V739 A744C694-H702 PolarHBondContact O-NE2 2.82Å; V696-H702 PolarHBondContact O-NE2 3.2Å; N698-H702 PolarHBondContact O-N 3.04Å; N698-H702 VanDerWaalsContact O-N 3.08Å; K699-H702 PolarHBondContact O-N 2.86Å; H702-A706 WeakPolarHBondContact O-CB 3.49Å; H702-A706 PolarHBondContact O-N 3.24Å; H702-V739 HydrophobicContact CB-CG1 3.93Å; H702-V739 HydrophobicContact CB-CG2 4.01Å; H702-A744 HydrophobicContact CB-CB 4.04Å
703I96.3Very high94Very high28 Ų2824.8 Ų24.814%0.14414%0.143CC..Hα-helixtrans-64.5-39.9175.5-67.6163.6000111F543 K699 I701 T707 E743 A744F543-I703 HydrophobicContact CE1-CG2 4.13Å; F543-I703 HydrophobicContact CZ-CG2 4.16Å; K699-I703 VanDerWaalsContact O-CG1 3.24Å; K699-I703 WeakPolarHBondContact O-CG1 3.39Å; K699-I703 PolarHBondContact O-N 3.32Å; I701-I703 PolarHBondContact O-N 2.89Å; I703-T707 WeakPolarHBondContact O-CB 3.38Å; I703-T707 PolarHBondContact O-N 3.46Å; I703-T707 PolarHBondContact O-OG1 2.69Å; I703-E743 HydrophobicContact CG1-CB 4.48Å; I703-E743 HydrophobicContact CG1-CG 4.49Å; I703-A744 HydrophobicContact CG1-CB 3.95Å
704A97.4Very high94.3Very high0 Ų025 Ų250%014%0.144CC..Hα-helixtrans-68.9-43.9177.800000112.1F543 L663 R664 C667 N700 I701 T707 L708F543-A704 HydrophobicContact CE2-CB 4.29Å; F543-A704 HydrophobicContact CZ-CB 4.14Å; L663-A704 HydrophobicContact CB-CB 3.61Å; L663-A704 HydrophobicContact CD1-CB 4.15Å; R664-A704 HydrophobicContact CG-CB 4.05Å; C667-A704 PolarHBondContact SG-O 3.26Å; N700-A704 WeakPolarHBondContact O-CB 3.42Å; N700-A704 PolarHBondContact O-N 3.4Å; I701-A704 PolarHBondContact O-N 2.99Å; I701-A704 VanDerWaalsContact O-N 3.09Å; A704-T707 WeakPolarHBondContact O-CB 3.45Å; A704-T707 PolarHBondContact O-N 3.17Å; A704-L708 PolarHBondContact O-N 2.82Å
705L97Very high94.7Very high0 Ų024.7 Ų24.70%014%0.142CC..Hα-helixtrans-57.6-51.3173.1-177.5167.9000111.4L663 A690 L693 I701 T707 L708 V709 A735L663-L705 HydrophobicContact CD1-CB 4.22Å; A690-L705 HydrophobicContact CB-CG 4.45Å; A690-L705 WeakPolarHBondContact O-CD1 3.31Å; L693-L705 HydrophobicContact CB-CD1 4.2Å; I701-L705 WeakPolarHBondContact O-CB 3.2Å; I701-L705 PolarHBondContact O-N 3.21Å; L705-T707 PolarHBondContact O-N 3Å; L705-L708 WeakPolarHBondContact O-CB 3.49Å; L705-L708 PolarHBondContact O-N 3.26Å; L705-L708 VanDerWaalsContact O-N 3.07Å; L705-V709 HydrophobicContact CD2-CG2 4.12Å; L705-V709 WeakPolarHBondContact O-CG2 3.28Å; L705-V709 PolarHBondContact O-N 2.72Å; L705-A735 HydrophobicContact CD2-CB 3.89Å
706A97.8Very high95.3Very high0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-60.2-3517800000112.6H702 L710 A744 R747 L748H702-A706 WeakPolarHBondContact O-CB 3.49Å; H702-A706 PolarHBondContact O-N 3.24Å; A706-L710 WeakPolarHBondContact O-CB 3.44Å; A706-L710 PolarHBondContact O-N 3.47Å; A706-A744 HydrophobicContact CB-CB 4.04Å; A706-A744 WeakPolarHBondContact CB-O 3.47Å; A706-R747 HydrophobicContact CB-CB 3.78Å; A706-L748 HydrophobicContact CB-CD1 4.26Å; A706-L748 HydrophobicContact CB-CD2 4.02Å; A706-L748 HydrophobicContact CB-CG 3.69Å
707T98.1Very high95.7Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-70.7-38.1174.8-540000111.7V541 F543 C667 I703 A704 L705 L710 N711 R747V541-T707 HydrophobicContact CB-CG2 3.79Å; V541-T707 HydrophobicContact CG1-CG2 3.75Å; V541-T707 WeakPolarHBondContact O-CG2 3.39Å; F543-T707 HydrophobicContact CE2-CG2 3.71Å; F543-T707 HydrophobicContact CZ-CG2 4.15Å; F543-T707 WeakPolarHBondContact CZ-OG1 3.29Å; C667-T707 HydrophobicContact CB-CG2 4.34Å; I703-T707 WeakPolarHBondContact O-CB 3.38Å; I703-T707 PolarHBondContact O-N 3.46Å; I703-T707 PolarHBondContact O-OG1 2.69Å; A704-T707 WeakPolarHBondContact O-CB 3.45Å; A704-T707 PolarHBondContact O-N 3.17Å; L705-T707 PolarHBondContact O-N 3Å; T707-L710 PolarHBondContact O-N 2.97Å; T707-N711 VanDerWaalsContact O-CG 3.26Å; T707-N711 PolarHBondContact O-N 3.42Å; T707-N711 PolarHBondContact O-OD1 3.42Å; T707-R747 WeakPolarHBondContact OG1-CD 3.37Å; T707-R747 PolarHBondContact OG1-NH1 3.09Å
708L98.2Very high95.9Very high0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-62.7-47.6176.1-176.561.2000111.1L663 L666 C667 F670 V686 A690 A704 L705 L710 N711 Y712L663-L708 HydrophobicContact CD2-CD2 3.7Å; L666-L708 HydrophobicContact CB-CD1 3.87Å; L666-L708 HydrophobicContact CB-CD2 4.44Å; L666-L708 HydrophobicContact CD1-CD2 4.28Å; C667-L708 PolarHBondContact SG-N 3.27Å; C667-L708 VanDerWaalsContact SG-N 3.43Å; F670-L708 HydrophobicContact CE2-CD1 3.86Å; V686-L708 HydrophobicContact CG1-CD1 4.5Å; V686-L708 HydrophobicContact CG1-CD2 3.86Å; A690-L708 HydrophobicContact CB-CD2 4.21Å; A704-L708 PolarHBondContact O-N 2.82Å; L705-L708 WeakPolarHBondContact O-CB 3.49Å; L705-L708 PolarHBondContact O-N 3.26Å; L705-L708 VanDerWaalsContact O-N 3.07Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 2.93Å; L708-N711 PolarHBondContact O-N 3.24Å; L708-Y712 HydrophobicContact CD1-CD2 4.31Å; L708-Y712 HydrophobicContact CD1-CE2 3.92Å; L708-Y712 HydrophobicContact CG-CD2 4.24Å; L708-Y712 HydrophobicContact CG-CE2 4.06Å; L708-Y712 VanDerWaalsContact O-CD2 3.3Å; L708-Y712 WeakPolarHBondContact O-CD2 3.45Å; L708-Y712 PolarHBondContact O-N 2.97Å
709V97.7Very high95.8Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-61.3-41.2176.4176.90000111.1L687 L705 Y712 A713 V731 A732 L748 A751L687-V709 HydrophobicContact CD2-CG2 4.36Å; L705-V709 HydrophobicContact CD2-CG2 4.12Å; L705-V709 WeakPolarHBondContact O-CG2 3.28Å; L705-V709 PolarHBondContact O-N 2.72Å; V709-Y712 PolarHBondContact O-N 2.62Å; V709-A713 PolarHBondContact O-N 3.37Å; V709-V731 HydrophobicContact CG2-CG1 3.87Å; V709-A732 HydrophobicContact CG1-CB 3.71Å; V709-L748 HydrophobicContact CB-CD2 4.29Å; V709-L748 HydrophobicContact CG1-CD2 4.28Å; V709-A751 HydrophobicContact CG1-CB 4.06Å
710L98.1Very high95.4Very high5 Ų521.2 Ų21.23%0.02613%0.131CC..Hα-helixtrans-61.3-42.1173.2175.757.5000112.8K537 V541 A706 T707 L708 Y712 A713 G714 V750 A751K537-L710 HydrophobicContact CB-CD1 4.34Å; V541-L710 HydrophobicContact CG2-CD2 3.98Å; A706-L710 WeakPolarHBondContact O-CB 3.44Å; A706-L710 PolarHBondContact O-N 3.47Å; T707-L710 PolarHBondContact O-N 2.97Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 2.93Å; L710-Y712 VanDerWaalsContact C-N 3.31Å; L710-Y712 PolarHBondContact O-N 3.34Å; L710-A713 WeakPolarHBondContact O-CB 3.13Å; L710-A713 PolarHBondContact O-N 2.66Å; L710-G714 PolarHBondContact O-N 3.37Å; L710-V750 HydrophobicContact CD1-CB 4.18Å; L710-V750 HydrophobicContact CD1-CG1 3.6Å; L710-V750 HydrophobicContact CD2-CG1 4.29Å; L710-A751 HydrophobicContact CB-CB 4.06Å; L710-A751 HydrophobicContact CD1-CB 4.17Å
711N98.1Very high95.1Very high3 Ų321.9 Ų21.92%0.01614%0.135CC..Hα-helixtrans-67.2-32.8178.2-70-0.7000112.2V541 C667 F670 T707 L708 S715V541-N711 PolarHBondContact N-OD1 3.24Å; V541-N711 PolarHBondContact O-ND2 3.22Å; C667-N711 PolarHBondContact O-ND2 2.92Å; C667-N711 VanDerWaalsContact O-ND2 3.15Å; F670-N711 HydrophobicContact CB-CB 4.34Å; F670-N711 HydrophobicContact CD1-CB 4.04Å; F670-N711 HydrophobicContact CD2-CB 3.56Å; F670-N711 HydrophobicContact CE1-CB 4.19Å; F670-N711 HydrophobicContact CE2-CB 3.71Å; F670-N711 HydrophobicContact CG-CB 3.73Å; F670-N711 HydrophobicContact CZ-CB 4.03Å; T707-N711 VanDerWaalsContact O-CG 3.26Å; T707-N711 PolarHBondContact O-N 3.42Å; T707-N711 PolarHBondContact O-OD1 3.42Å; L708-N711 PolarHBondContact O-N 3.24Å; N711-S715 VanDerWaalsContact O-CB 3.24Å; N711-S715 WeakPolarHBondContact O-CB 3.25Å; N711-S715 PolarHBondContact O-N 3.08Å; N711-S715 PolarHBondContact O-OG 3.49Å
712Y97.9Very high94.6Very high0 Ų024 Ų240%015%0.146CC..Hα-helixtrans-65.6-48.4167.9-83.6-72.1000112F670 L679 L680 R683 V686 L687 L708 V709 L710 G714 S715 L716F670-Y712 HydrophobicContact CE2-CE2 4.38Å; F670-Y712 HydrophobicContact CZ-CD1 4.07Å; F670-Y712 HydrophobicContact CZ-CD2 4.04Å; F670-Y712 HydrophobicContact CZ-CE1 4.05Å; F670-Y712 HydrophobicContact CZ-CE2 4.03Å; F670-Y712 HydrophobicContact CZ-CG 4.06Å; L679-Y712 WeakPolarHBondContact O-CE1 3.35Å; L679-Y712 PolarHBondContact O-OH 3.35Å; L680-Y712 HydrophobicContact CD2-CD1 4.28Å; L680-Y712 HydrophobicContact CD2-CE1 4.43Å; R683-Y712 HydrophobicContact CB-CE1 3.93Å; R683-Y712 HydrophobicContact CG-CD1 4.16Å; R683-Y712 HydrophobicContact CG-CE1 3.8Å; V686-Y712 WeakPolarHBondContact CB-OH 3.47Å; V686-Y712 HydrophobicContact CG1-CE2 3.92Å; V686-Y712 WeakPolarHBondContact CG1-OH 3.49Å; L687-Y712 HydrophobicContact CD1-CG 4.49Å; L687-Y712 HydrophobicContact CD2-CD2 3.61Å; L687-Y712 HydrophobicContact CD2-CE2 3.85Å; L687-Y712 HydrophobicContact CD2-CG 4.3Å; L687-Y712 HydrophobicContact CG-CD2 4.13Å; L687-Y712 HydrophobicContact CG-CE2 4.07Å; L708-Y712 HydrophobicContact CD1-CD2 4.31Å; L708-Y712 HydrophobicContact CD1-CE2 3.92Å; L708-Y712 HydrophobicContact CG-CD2 4.24Å; L708-Y712 HydrophobicContact CG-CE2 4.06Å; L708-Y712 VanDerWaalsContact O-CD2 3.3Å; L708-Y712 WeakPolarHBondContact O-CD2 3.45Å; L708-Y712 PolarHBondContact O-N 2.97Å; V709-Y712 PolarHBondContact O-N 2.62Å; L710-Y712 VanDerWaalsContact C-N 3.31Å; L710-Y712 PolarHBondContact O-N 3.34Å; Y712-G714 PolarHBondContact O-N 3.1Å; Y712-S715 CarbonylContact O-C 3.57Å; Y712-S715 WeakPolarHBondContact O-CA 3.26Å; Y712-S715 WeakPolarHBondContact O-CB 3.44Å; Y712-S715 PolarHBondContact O-N 3Å; Y712-L716 VanDerWaalsContact O-CG 3.28Å; Y712-L716 WeakPolarHBondContact O-CG 3.23Å; Y712-L716 PolarHBondContact O-N 2.95Å
713A97.3Very high94Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-55.7-49.7177.300000112V709 L710 S715 L716 H717 A751 T754 T755V709-A713 PolarHBondContact O-N 3.37Å; L710-A713 WeakPolarHBondContact O-CB 3.13Å; L710-A713 PolarHBondContact O-N 2.66Å; A713-S715 PolarHBondContact O-N 2.97Å; A713-L716 PolarHBondContact O-N 3Å; A713-H717 PolarHBondContact O-N 2.99Å; A713-A751 HydrophobicContact CB-CB 4.03Å; A713-A751 VanDerWaalsContact CB-O 3.27Å; A713-A751 WeakPolarHBondContact CB-O 3.4Å; A713-T754 HydrophobicContact CB-CG2 4.19Å; A713-T755 VanDerWaalsContact CB-OG1 3.24Å; A713-T755 WeakPolarHBondContact CB-OG1 3.49Å
714G96.4Very high93.7Very high3 Ų323.7 Ų23.73%0.03114%0.144CC..Hα-helixtrans-63.6-24.1174.700000114K537 L710 Y712K537-G714 WeakPolarHBondContact O-CA 3.39Å; L710-G714 PolarHBondContact O-N 3.37Å; Y712-G714 PolarHBondContact O-N 3.1Å
715S95.4Very high93.4Very high4 Ų423.9 Ų23.93%0.02814%0.144CC..Hα-helixtrans-81-28.1175.8-64.80000114.2F670 R676 N711 Y712 A713F670-S715 WeakPolarHBondContact CD1-OG 3.34Å; F670-S715 VanDerWaalsContact CE1-OG 3.23Å; F670-S715 WeakPolarHBondContact CE1-OG 3.47Å; R676-S715 PolarHBondContact NE-OG 3.44Å; R676-S715 PolarHBondContact NH2-O 3.38Å; N711-S715 VanDerWaalsContact O-CB 3.24Å; N711-S715 WeakPolarHBondContact O-CB 3.25Å; N711-S715 PolarHBondContact O-N 3.08Å; N711-S715 PolarHBondContact O-OG 3.49Å; Y712-S715 CarbonylContact O-C 3.57Å; Y712-S715 WeakPolarHBondContact O-CA 3.26Å; Y712-S715 WeakPolarHBondContact O-CB 3.44Å; Y712-S715 PolarHBondContact O-N 3Å; A713-S715 PolarHBondContact O-N 2.97Å
716L94.6Very high92.9Very high5 Ų523.9 Ų23.93%0.02615%0.145CC..Hα-helixtrans-95.9-12.6-179.4-62.8170.7000113.3L680 Y712 A713 G718 Q719 A724 K725 C728L680-L716 HydrophobicContact CD2-CD2 3.89Å; L680-L716 HydrophobicContact CD2-CG 4.46Å; Y712-L716 VanDerWaalsContact O-CG 3.28Å; Y712-L716 WeakPolarHBondContact O-CG 3.23Å; Y712-L716 PolarHBondContact O-N 2.95Å; A713-L716 PolarHBondContact O-N 3Å; L716-G718 PolarHBondContact O-N 2.96Å; L716-Q719 WeakPolarHBondContact O-CB 3.4Å; L716-Q719 PolarHBondContact O-N 3.5Å; L716-A724 HydrophobicContact CD1-CB 3.52Å; L716-A724 HydrophobicContact CD2-CB 3.42Å; L716-A724 VanDerWaalsContact CD2-CB 3.42Å; L716-A724 HydrophobicContact CG-CB 4.08Å; L716-K725 HydrophobicContact CB-CG 4.34Å; L716-K725 VanDerWaalsContact O-CE 3.22Å; L716-K725 WeakPolarHBondContact O-CE 3.22Å; L716-C728 HydrophobicContact CD1-CB 4.2Å
717H94.4Very high92.4Very high47 Ų4724.9 Ų24.922%0.21815%0.15CC..THydrogen-bonded Turntrans-55.5130.3174.5-173.673.6000110.9P536 T538 A713 Q719 T754 A757P536-H717 WeakPolarHBondContact CB-CE1 3.4Å; T538-H717 HydrophobicContact CG2-CB 4.1Å; A713-H717 PolarHBondContact O-N 2.99Å; H717-Q719 PolarHBondContact O-N 3.46Å; H717-T754 HydrophobicContact CB-CG2 4.15Å; H717-T754 PolarHBondContact ND1-O 2.94Å; H717-A757 PolarHBondContact CE1-O 2.87Å; H717-A757 VanDerWaalsContact CE1-O 3.29Å
718G89Confident92.2Very high65 Ų6524.9 Ų24.967%0.6715%0.15SC*.THydrogen-bonded Turntrans72.3-2.3-174.500000116.5L716L716-G718 PolarHBondContact O-N 2.96Å
719Q89.7Confident91.8Very high101 Ų10124.9 Ų24.947%0.47215%0.15SC..  trans-89.8145176.1-58.6-59.8-36.900111.5L716 H717 D721 K725L716-Q719 WeakPolarHBondContact O-CB 3.4Å; L716-Q719 PolarHBondContact O-N 3.5Å; H717-Q719 PolarHBondContact O-N 3.46Å; Q719-D721 PolarHBondContact O-N 3.22Å; Q719-K725 WeakPolarHBondContact O-CE 3.18Å; Q719-K725 PolarHBondContact O-NZ 3.22Å
720P85.8Confident91.2Very high127 Ų12725.7 Ų25.783%0.82516%0.155SC*.  trans-82.618.9177.534.8-36.5000114.2L722P720-L722 PolarHBondContact O-N 3.21Å; P720-L722 VanDerWaalsContact O-N 3.14Å
721D87.2Confident90.8Very high58 Ų5826.1 Ų26.131%0.3116%0.158SC..  trans-83.784.6178.9-171.9-16.2000110.7R683 Q719 E723 A724 K725R683-D721 IonicContact CZ-OD2 2.71Å; R683-D721 IonicContact NH1-OD2 3.03Å; R683-D721 PolarHBondContact NH1-OD2 2.88Å; R683-D721 IonicContact NH2-OD2 3.79Å; Q719-D721 PolarHBondContact O-N 3.22Å; D721-E723 VanDerWaalsContact C-N 3.27Å; D721-E723 PolarHBondContact O-N 3.47Å; D721-E723 PolarHBondContact OD1-N 3.29Å; D721-A724 HydrophobicContact CB-CB 3.98Å; D721-A724 PolarHBondContact O-N 3.28Å; D721-A724 WeakPolarHBondContact OD1-CB 3.26Å; D721-A724 PolarHBondContact OD1-N 3.33Å; D721-A724 WeakPolarHBondContact OD2-CB 3.49Å; D721-K725 WeakPolarHBondContact O-CG 3.13Å; D721-K725 PolarHBondContact O-N 2.92Å
722L84.7Confident90.6Very high45 Ų4526 Ų2624%0.23616%0.158CC..Hα-helixtrans-62.3-34.1-179.9-173.463.5000112.5P720 K725 A726 T761 L765P720-L722 PolarHBondContact O-N 3.21Å; P720-L722 VanDerWaalsContact O-N 3.14Å; L722-K725 PolarHBondContact O-N 3.36Å; L722-A726 WeakPolarHBondContact O-CB 3.47Å; L722-A726 PolarHBondContact O-N 3.42Å; L722-T761 HydrophobicContact CD1-CG2 3.71Å; L722-T761 HydrophobicContact CD2-CG2 3.89Å; L722-T761 HydrophobicContact CG-CG2 4.43Å; L722-L765 HydrophobicContact CD1-CB 4.34Å; L722-L765 HydrophobicContact CD1-CD2 3.52Å; L722-L765 HydrophobicContact CG-CD2 4.08Å
723E84Confident90Very high35 Ų3526.2 Ų26.216%0.16416%0.159CC..Hα-helixtrans-66.9-44.5179.7-171-157.6-108.700111.1K142 R683 D721 K725 A726 Q727K142-E723 VanDerWaalsContact CD-CD 3.45Å; K142-E723 HydrophobicContact CD-CG 4.17Å; K142-E723 VanDerWaalsContact CD-OE1 3.22Å; K142-E723 WeakPolarHBondContact CD-OE1 3.49Å; K142-E723 VanDerWaalsContact CE-CD 3.4Å; K142-E723 WeakPolarHBondContact CE-OE1 3.22Å; K142-E723 WeakPolarHBondContact CE-OE2 3.11Å; K142-E723 VanDerWaalsContact NZ-CD 3.33Å; K142-E723 IonicContact NZ-OE1 2.71Å; K142-E723 PolarHBondContact NZ-OE1 3.08Å; K142-E723 IonicContact NZ-OE2 3.19Å; K142-E723 PolarHBondContact NZ-OE2 3.26Å; R683-E723 IonicContact NH2-OE2 2.79Å; R683-E723 PolarHBondContact NH2-OE2 3.25Å; D721-E723 VanDerWaalsContact C-N 3.27Å; D721-E723 PolarHBondContact O-N 3.47Å; D721-E723 PolarHBondContact OD1-N 3.29Å; E723-K725 VanDerWaalsContact C-N 3.32Å; E723-K725 PolarHBondContact O-N 3.47Å; E723-A726 WeakPolarHBondContact O-CB 3.41Å; E723-A726 PolarHBondContact O-N 2.99Å; E723-Q727 WeakPolarHBondContact O-CG 3.47Å; E723-Q727 PolarHBondContact O-N 3.33Å
724A88.8Confident89.3Confident0 Ų027.9 Ų27.90%017%0.173CC..Hα-helixtrans-61.6-41.1174.600000112.5R683 L716 D721 Q727 C728R683-A724 VanDerWaalsContact NH1-CB 3.31Å; L716-A724 HydrophobicContact CD1-CB 3.52Å; L716-A724 HydrophobicContact CD2-CB 3.42Å; L716-A724 VanDerWaalsContact CD2-CB 3.42Å; L716-A724 HydrophobicContact CG-CB 4.08Å; D721-A724 HydrophobicContact CB-CB 3.98Å; D721-A724 PolarHBondContact O-N 3.28Å; D721-A724 WeakPolarHBondContact OD1-CB 3.26Å; D721-A724 PolarHBondContact OD1-N 3.33Å; D721-A724 WeakPolarHBondContact OD2-CB 3.49Å; A724-Q727 PolarHBondContact O-N 2.84Å; A724-C728 WeakPolarHBondContact O-CB 3.47Å; A724-C728 PolarHBondContact O-N 3.33Å
725K91.3Very high89Confident3 Ų327.8 Ų27.81%0.01317%0.171CC..Hα-helixtrans-64.1-42.7175.3-67.1-176.1-167.1-174.70110.6L716 Q719 D721 L722 E723 Q727 C728 L729 T755 D759 A762L716-K725 HydrophobicContact CB-CG 4.34Å; L716-K725 VanDerWaalsContact O-CE 3.22Å; L716-K725 WeakPolarHBondContact O-CE 3.22Å; Q719-K725 WeakPolarHBondContact O-CE 3.18Å; Q719-K725 PolarHBondContact O-NZ 3.22Å; D721-K725 WeakPolarHBondContact O-CG 3.13Å; D721-K725 PolarHBondContact O-N 2.92Å; L722-K725 PolarHBondContact O-N 3.36Å; E723-K725 VanDerWaalsContact C-N 3.32Å; E723-K725 PolarHBondContact O-N 3.47Å; K725-Q727 VanDerWaalsContact C-N 3.34Å; K725-Q727 PolarHBondContact O-N 3.02Å; K725-C728 PolarHBondContact O-N 3.08Å; K725-L729 WeakPolarHBondContact O-CB 3.39Å; K725-L729 WeakPolarHBondContact O-CG 3.29Å; K725-L729 PolarHBondContact O-N 3.13Å; K725-T755 HydrophobicContact CB-CG2 3.82Å; K725-T755 HydrophobicContact CD-CG2 4.35Å; K725-T755 HydrophobicContact CG-CG2 3.93Å; K725-D759 IonicContact NZ-OD2 2.72Å; K725-D759 PolarHBondContact NZ-OD2 3.49Å; K725-A762 HydrophobicContact CD-CB 3.95Å
726A86.9Confident88.8Confident1 Ų127.6 Ų27.61%0.00817%0.17CC..Hα-helixtrans-57.9-43.7173.900000112.4L139 M144 L722 E723 S730 L765L139-A726 HydrophobicContact CD2-CB 3.63Å; M144-A726 HydrophobicContact CE-CB 3.43Å; M144-A726 VanDerWaalsContact CE-CB 3.43Å; M144-A726 HydrophobicContact SD-CB 4.35Å; L722-A726 WeakPolarHBondContact O-CB 3.47Å; L722-A726 PolarHBondContact O-N 3.42Å; E723-A726 WeakPolarHBondContact O-CB 3.41Å; E723-A726 PolarHBondContact O-N 2.99Å; A726-S730 VanDerWaalsContact O-CB 3.27Å; A726-S730 WeakPolarHBondContact O-CB 3.39Å; A726-S730 PolarHBondContact O-N 3.07Å; A726-L765 HydrophobicContact CB-CD1 4.45Å; A726-L765 HydrophobicContact CB-CD2 3.66Å
727Q87.4Confident88.2Confident21 Ų2130.8 Ų30.810%0.09819%0.185CC..Hα-helixtrans-65.4-43.9176.5-71.7-177.9-26.900111.4M144 L687 E723 A724 K725 S730 V731M144-Q727 HydrophobicContact CE-CB 4.36Å; M144-Q727 HydrophobicContact CE-CG 3.73Å; L687-Q727 HydrophobicContact CD1-CB 4.22Å; E723-Q727 WeakPolarHBondContact O-CG 3.47Å; E723-Q727 PolarHBondContact O-N 3.33Å; A724-Q727 PolarHBondContact O-N 2.84Å; K725-Q727 VanDerWaalsContact C-N 3.34Å; K725-Q727 PolarHBondContact O-N 3.02Å; Q727-S730 PolarHBondContact O-N 3.07Å; Q727-V731 WeakPolarHBondContact O-CG2 3.35Å; Q727-V731 PolarHBondContact O-N 3.49Å
728C92.3Very high87.7Confident0 Ų030.7 Ų30.70%019%0.19CC..Hα-helixtrans-63.7-45.9177.9-168.90000111.9L716 A724 K725 A732L716-C728 HydrophobicContact CD1-CB 4.2Å; A724-C728 WeakPolarHBondContact O-CB 3.47Å; A724-C728 PolarHBondContact O-N 3.33Å; K725-C728 PolarHBondContact O-N 3.08Å; C728-A732 WeakPolarHBondContact O-CB 3.36Å; C728-A732 PolarHBondContact O-N 2.87Å
729L90.8Very high87.7Confident0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-60.2-45.9174.4-69.6170.9000111.6K725 A732 S733 L752 T755 V756 L765 A766 L769K725-L729 WeakPolarHBondContact O-CB 3.39Å; K725-L729 WeakPolarHBondContact O-CG 3.29Å; K725-L729 PolarHBondContact O-N 3.13Å; L729-A732 PolarHBondContact O-N 3.4Å; L729-S733 WeakPolarHBondContact O-CB 3.43Å; L729-S733 PolarHBondContact O-N 3.38Å; L729-L752 HydrophobicContact CD2-CD2 3.65Å; L729-T755 HydrophobicContact CD1-CG2 4.39Å; L729-T755 HydrophobicContact CD2-CG2 3.88Å; L729-T755 HydrophobicContact CG-CG2 3.84Å; L729-V756 HydrophobicContact CD2-CG1 3.92Å; L729-L765 HydrophobicContact CD1-CD2 4.07Å; L729-L765 HydrophobicContact CD1-CG 4.13Å; L729-A766 HydrophobicContact CD1-CB 3.91Å; L729-A766 HydrophobicContact CD2-CB 4.14Å; L729-L769 HydrophobicContact CB-CD1 3.89Å; L729-L769 HydrophobicContact CD1-CD1 4.18Å
730S85.6Confident87.5Confident17 Ų1731.4 Ų31.412%0.11918%0.176CC..Hα-helixtrans-61.4-47.4179.6-175.10000112.2M144 A726 Q727 S733 A734M144-S730 PolarHBondContact O-OG 3.45Å; A726-S730 VanDerWaalsContact O-CB 3.27Å; A726-S730 WeakPolarHBondContact O-CB 3.39Å; A726-S730 PolarHBondContact O-N 3.07Å; Q727-S730 PolarHBondContact O-N 3.07Å; S730-S733 WeakPolarHBondContact O-CB 3.31Å; S730-S733 PolarHBondContact O-N 2.9Å; S730-A734 WeakPolarHBondContact O-CB 3.5Å; S730-A734 PolarHBondContact O-N 2.97Å
731V89.3Confident87.9Confident14 Ų1427.2 Ų27.29%0.08515%0.146CC..Hα-helixtrans-71.6-38178.51790000112.1L687 A691 V709 Q727 S733 A735L687-V731 HydrophobicContact CB-CG2 4.18Å; A691-V731 HydrophobicContact CB-CG1 4.29Å; A691-V731 HydrophobicContact CB-CG2 4.22Å; V709-V731 HydrophobicContact CG2-CG1 3.87Å; Q727-V731 WeakPolarHBondContact O-CG2 3.35Å; Q727-V731 PolarHBondContact O-N 3.49Å; V731-S733 VanDerWaalsContact C-N 3.31Å; V731-S733 PolarHBondContact O-N 3.45Å; V731-A735 WeakPolarHBondContact O-CB 3.27Å; V731-A735 PolarHBondContact O-N 2.98Å
732A93Very high88.2Confident1 Ų128.4 Ų28.41%0.00815%0.149CC..Hα-helixtrans-61.5-42.8174.600000111.8V709 C728 L729 L736 L748 L752V709-A732 HydrophobicContact CG1-CB 3.71Å; C728-A732 WeakPolarHBondContact O-CB 3.36Å; C728-A732 PolarHBondContact O-N 2.87Å; L729-A732 PolarHBondContact O-N 3.4Å; A732-L736 WeakPolarHBondContact O-CG 3.39Å; A732-L736 PolarHBondContact O-N 3.33Å; A732-L748 HydrophobicContact CB-CD2 4.43Å; A732-L752 HydrophobicContact CB-CD2 3.59Å; A732-L752 HydrophobicContact CB-CG 3.97Å
733S86.3Confident88.7Confident3 Ų328.6 Ų28.62%0.02115%0.148CC..Hα-helixtrans-58.5-60.7174161.40000111L729 S730 V731 A735 L736 Q774L729-S733 WeakPolarHBondContact O-CB 3.43Å; L729-S733 PolarHBondContact O-N 3.38Å; S730-S733 WeakPolarHBondContact O-CB 3.31Å; S730-S733 PolarHBondContact O-N 2.9Å; V731-S733 VanDerWaalsContact C-N 3.31Å; V731-S733 PolarHBondContact O-N 3.45Å; S733-A735 PolarHBondContact O-N 2.89Å; S733-A735 VanDerWaalsContact O-N 3.13Å; S733-L736 WeakPolarHBondContact O-CB 3.35Å; S733-L736 PolarHBondContact O-N 3.16Å; S733-Q774 VanDerWaalsContact CB-OE1 3.23Å; S733-Q774 PolarHBondContact O-NE2 3.25Å; S733-Q774 PolarHBondContact O-OE1 2.98Å; S733-Q774 VanDerWaalsContact OG-CD 3.3Å; S733-Q774 PolarHBondContact OG-NE2 3.31Å; S733-Q774 PolarHBondContact OG-OE1 3.41Å
734A83.1Confident89.3Confident36 Ų3626.9 Ų26.930%0.29814%0.141SC..Hα-helixtrans-57.2-32.7-178.700000113.2S730 E737S730-A734 WeakPolarHBondContact O-CB 3.5Å; S730-A734 PolarHBondContact O-N 2.97Å; A734-E737 WeakPolarHBondContact O-CB 3.42Å; A734-E737 PolarHBondContact O-N 2.75Å
735A89.4Confident89.7Confident0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-70.3-34.3174.900000113.1L705 V731 S733 E737 S738 V739 L748L705-A735 HydrophobicContact CD2-CB 3.89Å; V731-A735 WeakPolarHBondContact O-CB 3.27Å; V731-A735 PolarHBondContact O-N 2.98Å; S733-A735 PolarHBondContact O-N 2.89Å; S733-A735 VanDerWaalsContact O-N 3.13Å; A735-E737 PolarHBondContact O-N 2.93Å; A735-E737 VanDerWaalsContact O-N 3.12Å; A735-S738 PolarHBondContact O-N 3.26Å; A735-V739 HydrophobicContact CB-CG2 4.31Å; A735-V739 WeakPolarHBondContact O-CB 3.44Å; A735-V739 WeakPolarHBondContact O-CG2 3.33Å; A735-V739 PolarHBondContact O-N 3.39Å; A735-L748 HydrophobicContact CB-CD1 3.58Å; A735-L748 HydrophobicContact CB-CD2 3.82Å; A735-L748 HydrophobicContact CB-CG 4.37Å
736L91Very high90Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-71.31.1177.1-74.9166.1000113.9A732 S733 V745 L748 L749 L752 I775 K777 Y778A732-L736 WeakPolarHBondContact O-CG 3.39Å; A732-L736 PolarHBondContact O-N 3.33Å; S733-L736 WeakPolarHBondContact O-CB 3.35Å; S733-L736 PolarHBondContact O-N 3.16Å; L736-V745 HydrophobicContact CD2-CB 4.28Å; L736-V745 HydrophobicContact CD2-CG1 3.93Å; L736-V745 HydrophobicContact CD2-CG2 4.29Å; L736-L748 HydrophobicContact CD1-CB 3.98Å; L736-L748 HydrophobicContact CD2-CB 3.67Å; L736-L748 HydrophobicContact CD2-CD1 3.95Å; L736-L748 HydrophobicContact CD2-CG 4.46Å; L736-L748 HydrophobicContact CG-CB 3.7Å; L736-L748 HydrophobicContact CG-CD1 3.93Å; L736-L748 HydrophobicContact CG-CG 4.4Å; L736-L749 HydrophobicContact CD1-CD2 4.39Å; L736-L752 HydrophobicContact CD1-CD1 3.46Å; L736-L752 VanDerWaalsContact CD1-CD1 3.46Å; L736-L752 HydrophobicContact CD1-CG 4.42Å; L736-I775 HydrophobicContact CD1-CG2 3.87Å; L736-K777 WeakPolarHBondContact O-CE 3.49Å; L736-K777 PolarHBondContact O-NZ 3.03Å; L736-Y778 HydrophobicContact CB-CE2 4.27Å; L736-Y778 HydrophobicContact CD2-CD2 4.5Å; L736-Y778 HydrophobicContact CD2-CE2 3.79Å; L736-Y778 PolarHBondContact O-OH 3.26Å
737E82.4Confident90.5Very high73 Ų7328.5 Ų28.534%0.34115%0.146SC..Hα-helixtrans-85-51.2172-64.4-75.913500111.6H182 A734 A735 Q774H182-E737 VanDerWaalsContact CD2-CD 3.42Å; H182-E737 IonicContact CD2-OE1 3.93Å; H182-E737 IonicContact CD2-OE2 2.68Å; H182-E737 VanDerWaalsContact CE1-CG 3.49Å; H182-E737 WeakPolarHBondContact CE1-CG 3.4Å; H182-E737 IonicContact CE1-OE2 3.98Å; H182-E737 PolarHBondContact CE1-OE2 3.45Å; H182-E737 IonicContact CG-OE1 2.82Å; H182-E737 IonicContact CG-OE2 3.66Å; H182-E737 IonicContact ND1-OE2 3.71Å; H182-E737 PolarHBondContact ND1-OE2 2.95Å; H182-E737 VanDerWaalsContact NE2-CG 3.3Å; H182-E737 WeakPolarHBondContact NE2-CG 3.44Å; H182-E737 IonicContact NE2-OE1 3.53Å; H182-E737 IonicContact NE2-OE2 3.9Å; A734-E737 WeakPolarHBondContact O-CB 3.42Å; A734-E737 PolarHBondContact O-N 2.75Å; A735-E737 PolarHBondContact O-N 2.93Å; A735-E737 VanDerWaalsContact O-N 3.12Å; E737-Q774 WeakPolarHBondContact OE1-CG 3.42Å; E737-Q774 PolarHBondContact OE1-NE2 3.44Å
738S84.6Confident91Very high45 Ų4527.5 Ų27.532%0.31514%0.142SC..Hα-helixtrans-99.2-24.8-169.8630000113.8C694 A735 Q740C694-S738 WeakPolarHBondContact O-CB 3.49Å; C694-S738 PolarHBondContact O-OG 2.9Å; A735-S738 PolarHBondContact O-N 3.26Å; S738-Q740 PolarHBondContact O-N 3.45Å
739V87.8Confident91.2Very high4 Ų427.5 Ų27.52%0.02414%0.142CC..  trans-75.2111.9-175.4175.10000110.8H702 A735 A744 V745 L748H702-V739 HydrophobicContact CB-CG1 3.93Å; H702-V739 HydrophobicContact CB-CG2 4.01Å; A735-V739 HydrophobicContact CB-CG2 4.31Å; A735-V739 WeakPolarHBondContact O-CB 3.44Å; A735-V739 WeakPolarHBondContact O-CG2 3.33Å; A735-V739 PolarHBondContact O-N 3.39Å; V739-A744 HydrophobicContact CG1-CB 3.41Å; V739-A744 VanDerWaalsContact CG1-CB 3.41Å; V739-V745 HydrophobicContact CG1-CG2 4.21Å; V739-V745 VanDerWaalsContact O-CG2 3.32Å; V739-V745 WeakPolarHBondContact O-CG2 3.42Å; V739-L748 HydrophobicContact CB-CD1 4.39Å; V739-L748 HydrophobicContact CG2-CD1 4.33Å
740Q86.8Confident91.6Very high176 Ų17627.8 Ų27.882%0.82214%0.144SC*.  trans-89-22.5178.4-60.51803.200113.9S738 K742S738-Q740 PolarHBondContact O-N 3.45Å; Q740-K742 PolarHBondContact O-N 3.06Å
741D93.5Very high92.2Very high40 Ų4027 Ų2721%0.21414%0.138CC..  trans-71.2125.4-176-176.6-76.3000111.1K699 E743 A744 V745K699-D741 HydrophobicContact CB-CB 4.12Å; D741-E743 VanDerWaalsContact C-N 3.32Å; D741-E743 PolarHBondContact O-N 2.93Å; D741-E743 WeakPolarHBondContact OD1-CA 3.47Å; D741-E743 WeakPolarHBondContact OD1-CB 3.2Å; D741-E743 PolarHBondContact OD1-N 3.03Å; D741-A744 HydrophobicContact CB-CB 4.16Å; D741-A744 PolarHBondContact O-N 3.38Å; D741-A744 PolarHBondContact OD1-N 3.47Å; D741-A744 VanDerWaalsContact OD1-N 3.13Å; D741-V745 WeakPolarHBondContact O-CG2 3.28Å; D741-V745 PolarHBondContact O-N 3.44Å
742K94Very high92.5Very high83 Ų8326.4 Ų26.436%0.36113%0.134SC..Hα-helixtrans-67.6-27.5-172.8-62.9-61.4-173179.60113.9Q740 F746 V781 P784 V787Q740-K742 PolarHBondContact O-N 3.06Å; K742-F746 VanDerWaalsContact O-CB 3.28Å; K742-F746 WeakPolarHBondContact O-CB 3.38Å; K742-F746 PolarHBondContact O-N 3.46Å; K742-V781 HydrophobicContact CD-CG1 4.34Å; K742-P784 HydrophobicContact CB-CG 4.22Å; K742-V787 HydrophobicContact CB-CG2 4.41Å
743E95.3Very high92.7Very high48 Ų4826.3 Ų26.322%0.22413%0.134CC..Hα-helixtrans-75.3-39.4176.117859.6-160.200110.6I703 D741 F746 R747 K786I703-E743 HydrophobicContact CG1-CB 4.48Å; I703-E743 HydrophobicContact CG1-CG 4.49Å; D741-E743 VanDerWaalsContact C-N 3.32Å; D741-E743 PolarHBondContact O-N 2.93Å; D741-E743 WeakPolarHBondContact OD1-CA 3.47Å; D741-E743 WeakPolarHBondContact OD1-CB 3.2Å; D741-E743 PolarHBondContact OD1-N 3.03Å; E743-F746 PolarHBondContact O-N 3.36Å; E743-R747 WeakPolarHBondContact O-CG 3.42Å; E743-R747 PolarHBondContact O-N 3.35Å; E743-R747 IonicContact OE1-CZ 3.5Å; E743-R747 VanDerWaalsContact OE1-CZ 3.22Å; E743-R747 IonicContact OE1-NE 2.72Å; E743-R747 PolarHBondContact OE1-NE 2.85Å; E743-R747 IonicContact OE1-NH2 3.31Å; E743-R747 PolarHBondContact OE1-NH2 3.08Å; E743-K786 IonicContact OE2-NZ 3.27Å; E743-K786 PolarHBondContact OE2-NZ 3.41Å
744A96.3Very high93.2Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-66.1-44.7172.700000112H702 I703 A706 V739 D741 F746 R747 L748H702-A744 HydrophobicContact CB-CB 4.04Å; I703-A744 HydrophobicContact CG1-CB 3.95Å; A706-A744 HydrophobicContact CB-CB 4.04Å; A706-A744 WeakPolarHBondContact CB-O 3.47Å; V739-A744 HydrophobicContact CG1-CB 3.41Å; V739-A744 VanDerWaalsContact CG1-CB 3.41Å; D741-A744 HydrophobicContact CB-CB 4.16Å; D741-A744 PolarHBondContact O-N 3.38Å; D741-A744 PolarHBondContact OD1-N 3.47Å; D741-A744 VanDerWaalsContact OD1-N 3.13Å; A744-F746 VanDerWaalsContact C-N 3.34Å; A744-F746 PolarHBondContact O-N 2.98Å; A744-R747 PolarHBondContact O-N 3.14Å; A744-L748 WeakPolarHBondContact O-CG 3.42Å; A744-L748 PolarHBondContact O-N 3.18Å
745V96.8Very high93.8Very high1 Ų124.6 Ų24.61%0.00612%0.119CC..Hα-helixtrans-56.4-47172.2167.80000111.2L736 V739 D741 R747 L748 L749 Y778 V787L736-V745 HydrophobicContact CD2-CB 4.28Å; L736-V745 HydrophobicContact CD2-CG1 3.93Å; L736-V745 HydrophobicContact CD2-CG2 4.29Å; V739-V745 HydrophobicContact CG1-CG2 4.21Å; V739-V745 VanDerWaalsContact O-CG2 3.32Å; V739-V745 WeakPolarHBondContact O-CG2 3.42Å; D741-V745 WeakPolarHBondContact O-CG2 3.28Å; D741-V745 PolarHBondContact O-N 3.44Å; V745-R747 VanDerWaalsContact C-N 3.35Å; V745-R747 PolarHBondContact O-N 3.11Å; V745-L748 PolarHBondContact O-N 2.96Å; V745-L749 HydrophobicContact CG1-CD1 4.05Å; V745-L749 HydrophobicContact CG1-CG 4.48Å; V745-L749 WeakPolarHBondContact O-CG 3.28Å; V745-L749 PolarHBondContact O-N 2.93Å; V745-Y778 HydrophobicContact CB-CE1 4.44Å; V745-Y778 HydrophobicContact CG1-CD1 3.67Å; V745-Y778 HydrophobicContact CG1-CD2 4.33Å; V745-Y778 HydrophobicContact CG1-CE1 3.53Å; V745-Y778 HydrophobicContact CG1-CE2 4.23Å; V745-Y778 HydrophobicContact CG1-CG 4.07Å; V745-Y778 HydrophobicContact CG2-CE1 4Å; V745-V787 HydrophobicContact CG1-CG1 3.93Å
746F97.4Very high94.1Very high5 Ų524.6 Ų24.62%0.02212%0.12CC..Hα-helixtrans-57.2-46.4177.6174.4-110000111.9F515 Y534 K742 E743 A744 L748 L749 V750 K786 V787 C790F515-F746 HydrophobicContact CE1-CE1 4.26Å; Y534-F746 AromaticContact CD1-CE2 3.78Å; Y534-F746 HydrophobicContact CD1-CE2 3.78Å; Y534-F746 AromaticContact CD1-CZ 3.68Å; Y534-F746 HydrophobicContact CD1-CZ 3.68Å; Y534-F746 AromaticContact CE1-CE2 3.9Å; Y534-F746 HydrophobicContact CE1-CE2 3.9Å; Y534-F746 AromaticContact CE1-CZ 3.95Å; Y534-F746 HydrophobicContact CE1-CZ 3.95Å; Y534-F746 HydrophobicContact CG-CE2 4.3Å; Y534-F746 HydrophobicContact CG-CZ 4.49Å; K742-F746 VanDerWaalsContact O-CB 3.28Å; K742-F746 WeakPolarHBondContact O-CB 3.38Å; K742-F746 PolarHBondContact O-N 3.46Å; E743-F746 PolarHBondContact O-N 3.36Å; A744-F746 VanDerWaalsContact C-N 3.34Å; A744-F746 PolarHBondContact O-N 2.98Å; F746-L748 PolarHBondContact O-N 3.39Å; F746-L749 PolarHBondContact O-N 2.89Å; F746-V750 HydrophobicContact CD2-CG2 4.43Å; F746-V750 HydrophobicContact CE1-CG2 4.2Å; F746-V750 HydrophobicContact CE2-CG2 4.05Å; F746-V750 HydrophobicContact CZ-CG2 3.91Å; F746-V750 WeakPolarHBondContact O-CG2 3.36Å; F746-V750 PolarHBondContact O-N 2.88Å; F746-K786 HydrophobicContact CD1-CD 4.05Å; F746-K786 HydrophobicContact CD2-CB 4.11Å; F746-K786 HydrophobicContact CD2-CD 3.93Å; F746-K786 HydrophobicContact CD2-CG 3.72Å; F746-K786 WeakPolarHBondContact CD2-O 3.49Å; F746-K786 HydrophobicContact CE1-CD 3.99Å; F746-K786 HydrophobicContact CE2-CB 3.8Å; F746-K786 HydrophobicContact CE2-CD 3.86Å; F746-K786 HydrophobicContact CE2-CG 3.84Å; F746-K786 HydrophobicContact CG-CD 4.02Å; F746-K786 HydrophobicContact CG-CG 4.18Å; F746-K786 HydrophobicContact CZ-CB 4.44Å; F746-K786 HydrophobicContact CZ-CD 3.9Å; F746-K786 HydrophobicContact CZ-CG 4.38Å; F746-V787 HydrophobicContact CB-CG2 4.03Å; F746-C790 HydrophobicContact CD2-CB 4.17Å; F746-C790 HydrophobicContact CE2-CB 3.97Å
747R97.8Very high94.3Very high31 Ų3124.9 Ų24.912%0.11712%0.122CC..Hα-helixtrans-63.2-38.6178.2-72.8169.2-173.1-104.6-18.5113A706 T707 E743 A744 V745 V750 A751A706-R747 HydrophobicContact CB-CB 3.78Å; T707-R747 WeakPolarHBondContact OG1-CD 3.37Å; T707-R747 PolarHBondContact OG1-NH1 3.09Å; E743-R747 WeakPolarHBondContact O-CG 3.42Å; E743-R747 PolarHBondContact O-N 3.35Å; E743-R747 IonicContact OE1-CZ 3.5Å; E743-R747 VanDerWaalsContact OE1-CZ 3.22Å; E743-R747 IonicContact OE1-NE 2.72Å; E743-R747 PolarHBondContact OE1-NE 2.85Å; E743-R747 IonicContact OE1-NH2 3.31Å; E743-R747 PolarHBondContact OE1-NH2 3.08Å; A744-R747 PolarHBondContact O-N 3.14Å; V745-R747 VanDerWaalsContact C-N 3.35Å; V745-R747 PolarHBondContact O-N 3.11Å; R747-V750 PolarHBondContact O-N 3.35Å; R747-A751 WeakPolarHBondContact O-CB 3.25Å; R747-A751 PolarHBondContact O-N 2.9Å
748L97.6Very high94.6Very high0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-66.5-40175.2-68.4164.6000111.9A706 V709 A732 A735 L736 V739 A744 V745 F746 A751 L752A706-L748 HydrophobicContact CB-CD1 4.26Å; A706-L748 HydrophobicContact CB-CD2 4.02Å; A706-L748 HydrophobicContact CB-CG 3.69Å; V709-L748 HydrophobicContact CB-CD2 4.29Å; V709-L748 HydrophobicContact CG1-CD2 4.28Å; A732-L748 HydrophobicContact CB-CD2 4.43Å; A735-L748 HydrophobicContact CB-CD1 3.58Å; A735-L748 HydrophobicContact CB-CD2 3.82Å; A735-L748 HydrophobicContact CB-CG 4.37Å; L736-L748 HydrophobicContact CD1-CB 3.98Å; L736-L748 HydrophobicContact CD2-CB 3.67Å; L736-L748 HydrophobicContact CD2-CD1 3.95Å; L736-L748 HydrophobicContact CD2-CG 4.46Å; L736-L748 HydrophobicContact CG-CB 3.7Å; L736-L748 HydrophobicContact CG-CD1 3.93Å; L736-L748 HydrophobicContact CG-CG 4.4Å; V739-L748 HydrophobicContact CB-CD1 4.39Å; V739-L748 HydrophobicContact CG2-CD1 4.33Å; A744-L748 WeakPolarHBondContact O-CG 3.42Å; A744-L748 PolarHBondContact O-N 3.18Å; V745-L748 PolarHBondContact O-N 2.96Å; F746-L748 PolarHBondContact O-N 3.39Å; L748-A751 WeakPolarHBondContact O-CB 3.46Å; L748-A751 PolarHBondContact O-N 3.21Å; L748-L752 WeakPolarHBondContact O-CG 3.48Å; L748-L752 PolarHBondContact O-N 3.36Å
749L97.4Very high94.8Very high0 Ų026.5 Ų26.50%014%0.138CC..Hα-helixtrans-62.6-43172.7-68.1169.4000111.7L736 V745 F746 A751 L752 G753 I775 Y778 V787 C791 V794L736-L749 HydrophobicContact CD1-CD2 4.39Å; V745-L749 HydrophobicContact CG1-CD1 4.05Å; V745-L749 HydrophobicContact CG1-CG 4.48Å; V745-L749 WeakPolarHBondContact O-CG 3.28Å; V745-L749 PolarHBondContact O-N 2.93Å; F746-L749 PolarHBondContact O-N 2.89Å; L749-A751 VanDerWaalsContact C-N 3.29Å; L749-A751 PolarHBondContact O-N 3.15Å; L749-L752 PolarHBondContact O-N 2.99Å; L749-G753 PolarHBondContact O-N 3.45Å; L749-I775 HydrophobicContact CD2-CB 3.87Å; L749-I775 HydrophobicContact CD2-CD1 4.3Å; L749-I775 HydrophobicContact CD2-CG2 3.83Å; L749-Y778 HydrophobicContact CD2-CD2 4.49Å; L749-V787 HydrophobicContact CD1-CG1 4.02Å; L749-C791 HydrophobicContact CD1-CB 3.96Å; L749-C791 HydrophobicContact CD2-CB 4.24Å; L749-V794 WeakPolarHBondContact O-CG2 3.48Å
750V97.9Very high94.8Very high7 Ų731.4 Ų31.44%0.04216%0.161CC..Hα-helixtrans-62.7-36.5173.9177.70000111.3Y534 F535 K537 L710 F746 R747 T754Y534-V750 WeakPolarHBondContact O-CG1 3.41Å; F535-V750 HydrophobicContact CB-CG1 4.23Å; K537-V750 HydrophobicContact CB-CG1 4.02Å; L710-V750 HydrophobicContact CD1-CB 4.18Å; L710-V750 HydrophobicContact CD1-CG1 3.6Å; L710-V750 HydrophobicContact CD2-CG1 4.29Å; F746-V750 HydrophobicContact CD2-CG2 4.43Å; F746-V750 HydrophobicContact CE1-CG2 4.2Å; F746-V750 HydrophobicContact CE2-CG2 4.05Å; F746-V750 HydrophobicContact CZ-CG2 3.91Å; F746-V750 WeakPolarHBondContact O-CG2 3.36Å; F746-V750 PolarHBondContact O-N 2.88Å; R747-V750 PolarHBondContact O-N 3.35Å; V750-T754 VanDerWaalsContact O-CB 3.23Å; V750-T754 WeakPolarHBondContact O-CB 3.43Å; V750-T754 PolarHBondContact O-N 3.04Å; V750-T754 PolarHBondContact O-OG1 2.87Å
751A97.8Very high94.7Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-65.9-47176.500000111.8V709 L710 A713 R747 L748 L749 T754 T755V709-A751 HydrophobicContact CG1-CB 4.06Å; L710-A751 HydrophobicContact CB-CB 4.06Å; L710-A751 HydrophobicContact CD1-CB 4.17Å; A713-A751 HydrophobicContact CB-CB 4.03Å; A713-A751 VanDerWaalsContact CB-O 3.27Å; A713-A751 WeakPolarHBondContact CB-O 3.4Å; R747-A751 WeakPolarHBondContact O-CB 3.25Å; R747-A751 PolarHBondContact O-N 2.9Å; L748-A751 WeakPolarHBondContact O-CB 3.46Å; L748-A751 PolarHBondContact O-N 3.21Å; L749-A751 VanDerWaalsContact C-N 3.29Å; L749-A751 PolarHBondContact O-N 3.15Å; A751-T754 PolarHBondContact O-N 3.37Å; A751-T755 WeakPolarHBondContact O-CB 3.12Å; A751-T755 PolarHBondContact O-N 3.3Å; A751-T755 PolarHBondContact O-OG1 3.31Å
752L96.7Very high94.5Very high1 Ų124.2 Ų24.21%0.00513%0.13CC..Hα-helixtrans-57-53.6174-71.1175.8000111.1L729 A732 L736 L748 L749 T754 T755 V756 V771 I775 V794L729-L752 HydrophobicContact CD2-CD2 3.65Å; A732-L752 HydrophobicContact CB-CD2 3.59Å; A732-L752 HydrophobicContact CB-CG 3.97Å; L736-L752 HydrophobicContact CD1-CD1 3.46Å; L736-L752 VanDerWaalsContact CD1-CD1 3.46Å; L736-L752 HydrophobicContact CD1-CG 4.42Å; L748-L752 WeakPolarHBondContact O-CG 3.48Å; L748-L752 PolarHBondContact O-N 3.36Å; L749-L752 PolarHBondContact O-N 2.99Å; L752-T754 VanDerWaalsContact C-N 3.33Å; L752-T754 PolarHBondContact O-N 2.88Å; L752-T755 WeakPolarHBondContact O-CB 3.21Å; L752-T755 PolarHBondContact O-N 3.4Å; L752-T755 VanDerWaalsContact O-N 3.08Å; L752-V756 PolarHBondContact O-N 3.02Å; L752-V771 HydrophobicContact CD1-CG1 3.69Å; L752-V771 HydrophobicContact CD2-CG1 3.87Å; L752-V771 HydrophobicContact CD2-CG2 4.48Å; L752-V771 HydrophobicContact CG-CG1 4.29Å; L752-I775 HydrophobicContact CD1-CG2 3.59Å; L752-V794 HydrophobicContact CB-CG1 4.21Å
753G96.6Very high94.3Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-56.7-43.8177.400000113F535 L749 T755 V756 A757F535-G753 VanDerWaalsContact CD2-O 3.31Å; F535-G753 WeakPolarHBondContact CD2-O 3.43Å; L749-G753 PolarHBondContact O-N 3.45Å; G753-T755 VanDerWaalsContact C-N 3.28Å; G753-T755 PolarHBondContact O-N 3.11Å; G753-V756 PolarHBondContact O-N 3Å; G753-A757 WeakPolarHBondContact O-CB 3.32Å; G753-A757 PolarHBondContact O-N 3.31Å
754T97.2Very high93.6Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-64-33.4177.3-60.30000112.7F535 P536 K537 A713 H717 V750 A751 L752F535-T754 WeakPolarHBondContact CB-OG1 3.31Å; P536-T754 HydrophobicContact CB-CG2 4.1Å; K537-T754 PolarHBondContact N-OG1 3.12Å; A713-T754 HydrophobicContact CB-CG2 4.19Å; H717-T754 HydrophobicContact CB-CG2 4.15Å; H717-T754 PolarHBondContact ND1-O 2.94Å; V750-T754 VanDerWaalsContact O-CB 3.23Å; V750-T754 WeakPolarHBondContact O-CB 3.43Å; V750-T754 PolarHBondContact O-N 3.04Å; V750-T754 PolarHBondContact O-OG1 2.87Å; A751-T754 PolarHBondContact O-N 3.37Å; L752-T754 VanDerWaalsContact C-N 3.33Å; L752-T754 PolarHBondContact O-N 2.88Å
755T96.4Very high92.9Very high2 Ų221.1 Ų21.11%0.01212%0.119CC..Hα-helixtrans-72.4-36-178.9-560000112.1A713 K725 L729 A751 L752 G753A713-T755 VanDerWaalsContact CB-OG1 3.24Å; A713-T755 WeakPolarHBondContact CB-OG1 3.49Å; K725-T755 HydrophobicContact CB-CG2 3.82Å; K725-T755 HydrophobicContact CD-CG2 4.35Å; K725-T755 HydrophobicContact CG-CG2 3.93Å; L729-T755 HydrophobicContact CD1-CG2 4.39Å; L729-T755 HydrophobicContact CD2-CG2 3.88Å; L729-T755 HydrophobicContact CG-CG2 3.84Å; A751-T755 WeakPolarHBondContact O-CB 3.12Å; A751-T755 PolarHBondContact O-N 3.3Å; A751-T755 PolarHBondContact O-OG1 3.31Å; L752-T755 WeakPolarHBondContact O-CB 3.21Å; L752-T755 PolarHBondContact O-N 3.4Å; L752-T755 VanDerWaalsContact O-N 3.08Å; G753-T755 VanDerWaalsContact C-N 3.28Å; G753-T755 PolarHBondContact O-N 3.11Å
756V95.3Very high92.3Very high1 Ų121.1 Ų21.11%0.00612%0.119CC..Hα-helixtrans-100.5-14.8-175.4-51.60000114.3L729 L752 G753 S758 D759 A762 Q763 A766 E797 L798L729-V756 HydrophobicContact CD2-CG1 3.92Å; L752-V756 PolarHBondContact O-N 3.02Å; G753-V756 PolarHBondContact O-N 3Å; V756-S758 PolarHBondContact O-N 2.84Å; V756-D759 PolarHBondContact O-N 3.24Å; V756-A762 HydrophobicContact CG1-CB 4.42Å; V756-Q763 HydrophobicContact CB-CG 3.89Å; V756-Q763 HydrophobicContact CG2-CG 4.44Å; V756-Q763 WeakPolarHBondContact O-CG 3.32Å; V756-Q763 PolarHBondContact O-NE2 3.15Å; V756-A766 HydrophobicContact CG1-CB 3.8Å; V756-E797 HydrophobicContact CG2-CB 4.2Å; V756-L798 HydrophobicContact CB-CD2 4.27Å; V756-L798 HydrophobicContact CG1-CD2 4.18Å; V756-L798 HydrophobicContact CG2-CD2 4.07Å; V756-L798 HydrophobicContact CG2-CG 4.47Å
757A94.4Very high91.6Very high5 Ų523.7 Ų23.74%0.04113%0.13CC..THydrogen-bonded Turntrans-58.8124.7-179.500000111.4F535 P536 H717 G753 D759F535-A757 HydrophobicContact CD2-CB 4.09Å; F535-A757 HydrophobicContact CE2-CB 4.38Å; P536-A757 HydrophobicContact CB-CB 4.17Å; P536-A757 HydrophobicContact CG-CB 4.38Å; H717-A757 PolarHBondContact CE1-O 2.87Å; H717-A757 VanDerWaalsContact CE1-O 3.29Å; G753-A757 WeakPolarHBondContact O-CB 3.32Å; G753-A757 PolarHBondContact O-N 3.31Å; A757-D759 PolarHBondContact O-N 3.47Å
758S88.1Confident90.4Very high116 Ų11623 Ų2381%0.81113%0.13SC*.THydrogen-bonded Turntrans59.125.4-179.6-520000115.5V756V756-S758 PolarHBondContact O-N 2.84Å
759D90Very high89.1Confident36 Ų3623.5 Ų23.519%0.19313%0.133CC..  trans-136.2102.4175.1-177.2-22.6000111.1K725 V756 A757 T761 A762 Q763K725-D759 IonicContact NZ-OD2 2.72Å; K725-D759 PolarHBondContact NZ-OD2 3.49Å; V756-D759 PolarHBondContact O-N 3.24Å; A757-D759 PolarHBondContact O-N 3.47Å; D759-T761 VanDerWaalsContact C-N 3.32Å; D759-T761 PolarHBondContact O-N 2.85Å; D759-T761 WeakPolarHBondContact OD1-CA 3.39Å; D759-T761 WeakPolarHBondContact OD1-CB 3.39Å; D759-T761 PolarHBondContact OD1-N 2.83Å; D759-A762 HydrophobicContact CB-CB 3.85Å; D759-A762 PolarHBondContact O-N 3.44Å; D759-A762 PolarHBondContact OD1-N 3.43Å; D759-Q763 VanDerWaalsContact O-CG 3.29Å; D759-Q763 WeakPolarHBondContact O-CG 3.23Å; D759-Q763 PolarHBondContact O-N 2.93Å
760Q88.3Confident88Confident107 Ų10723.6 Ų23.650%0.513%0.134SC..Hα-helixtrans-60.4-39.1-179.5-169.264.861.800112.6A762 Q763 D764Q760-A762 VanDerWaalsContact C-N 3.33Å; Q760-A762 PolarHBondContact O-N 3.31Å; Q760-Q763 WeakPolarHBondContact O-CB 3.4Å; Q760-Q763 PolarHBondContact O-N 3.17Å; Q760-D764 PolarHBondContact NE2-OD1 3.36Å; Q760-D764 WeakPolarHBondContact O-CB 3.15Å; Q760-D764 VanDerWaalsContact O-CG 3.25Å; Q760-D764 PolarHBondContact O-N 2.75Å
761T84.3Confident87.3Confident65 Ų6523.2 Ų23.240%0.39913%0.132SC..Hα-helixtrans-67.3-38-179.4-45.70000110.6L722 D759 L765L722-T761 HydrophobicContact CD1-CG2 3.71Å; L722-T761 HydrophobicContact CD2-CG2 3.89Å; L722-T761 HydrophobicContact CG-CG2 4.43Å; D759-T761 VanDerWaalsContact C-N 3.32Å; D759-T761 PolarHBondContact O-N 2.85Å; D759-T761 WeakPolarHBondContact OD1-CA 3.39Å; D759-T761 WeakPolarHBondContact OD1-CB 3.39Å; D759-T761 PolarHBondContact OD1-N 2.83Å; T761-L765 WeakPolarHBondContact O-CB 3.36Å; T761-L765 PolarHBondContact O-N 3.18Å
762A88.6Confident86.6Confident0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-70.3-35.5173.300000112.7K725 V756 D759 Q760 A766K725-A762 HydrophobicContact CD-CB 3.95Å; V756-A762 HydrophobicContact CG1-CB 4.42Å; D759-A762 HydrophobicContact CB-CB 3.85Å; D759-A762 PolarHBondContact O-N 3.44Å; D759-A762 PolarHBondContact OD1-N 3.43Å; Q760-A762 VanDerWaalsContact C-N 3.33Å; Q760-A762 PolarHBondContact O-N 3.31Å; A762-A766 VanDerWaalsContact O-CB 3.26Å; A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 3.43Å
763Q89.8Confident85.5Confident18 Ų1827.5 Ų27.58%0.08416%0.159CC..Hα-helixtrans-63.3-48.8172.5-69.5167.22.400111.4V756 D759 Q760 L765 A766 K767 E797 L798V756-Q763 HydrophobicContact CB-CG 3.89Å; V756-Q763 HydrophobicContact CG2-CG 4.44Å; V756-Q763 WeakPolarHBondContact O-CG 3.32Å; V756-Q763 PolarHBondContact O-NE2 3.15Å; D759-Q763 VanDerWaalsContact O-CG 3.29Å; D759-Q763 WeakPolarHBondContact O-CG 3.23Å; D759-Q763 PolarHBondContact O-N 2.93Å; Q760-Q763 WeakPolarHBondContact O-CB 3.4Å; Q760-Q763 PolarHBondContact O-N 3.17Å; Q763-L765 PolarHBondContact O-N 3.2Å; Q763-A766 PolarHBondContact O-N 3.17Å; Q763-A766 VanDerWaalsContact O-N 3.16Å; Q763-K767 WeakPolarHBondContact O-CG 3.36Å; Q763-K767 PolarHBondContact O-N 3.33Å; Q763-E797 WeakPolarHBondContact CG-O 3.2Å; Q763-E797 PolarHBondContact NE2-O 2.91Å; Q763-L798 HydrophobicContact CB-CD2 4.26Å; Q763-L798 HydrophobicContact CG-CD2 4.39Å
764D80.5Confident84.7Confident46 Ų4628.1 Ų28.125%0.24616%0.163CC..Hα-helixtrans-69.2-35.2-178.5-63.8-15000111.9F123 Q760 K767 S768F123-D764 HydrophobicContact CE1-CB 4.43Å; F123-D764 HydrophobicContact CE2-CB 3.72Å; F123-D764 HydrophobicContact CZ-CB 3.49Å; F123-D764 VanDerWaalsContact CZ-CB 3.49Å; Q760-D764 PolarHBondContact NE2-OD1 3.36Å; Q760-D764 WeakPolarHBondContact O-CB 3.15Å; Q760-D764 VanDerWaalsContact O-CG 3.25Å; Q760-D764 PolarHBondContact O-N 2.75Å; D764-K767 PolarHBondContact O-N 2.91Å; D764-K767 IonicContact OD1-NZ 3.5Å; D764-S768 WeakPolarHBondContact O-CB 3.42Å; D764-S768 PolarHBondContact O-N 2.77Å
765L82Confident84.3Confident3 Ų328.1 Ų28.12%0.01616%0.163CC..Hα-helixtrans-62.7-44.8167.8174.464.3000111.8L139 L722 A726 L729 T761 Q763 K767 S768 L769L139-L765 HydrophobicContact CD2-CD1 4.2Å; L722-L765 HydrophobicContact CD1-CB 4.34Å; L722-L765 HydrophobicContact CD1-CD2 3.52Å; L722-L765 HydrophobicContact CG-CD2 4.08Å; A726-L765 HydrophobicContact CB-CD1 4.45Å; A726-L765 HydrophobicContact CB-CD2 3.66Å; L729-L765 HydrophobicContact CD1-CD2 4.07Å; L729-L765 HydrophobicContact CD1-CG 4.13Å; T761-L765 WeakPolarHBondContact O-CB 3.36Å; T761-L765 PolarHBondContact O-N 3.18Å; Q763-L765 PolarHBondContact O-N 3.2Å; L765-K767 VanDerWaalsContact C-N 3.31Å; L765-K767 PolarHBondContact O-N 3.25Å; L765-S768 CarbonylContact O-C 3.51Å; L765-S768 WeakPolarHBondContact O-CB 3.38Å; L765-S768 PolarHBondContact O-N 3.38Å; L765-L769 HydrophobicContact CD1-CD1 3.97Å; L765-L769 HydrophobicContact CD1-CG 4.06Å; L765-L769 HydrophobicContact CG-CD1 3.97Å; L765-L769 HydrophobicContact CG-CG 4.42Å; L765-L769 WeakPolarHBondContact O-CB 3.47Å; L765-L769 VanDerWaalsContact O-CG 3.3Å; L765-L769 WeakPolarHBondContact O-CG 3.31Å; L765-L769 PolarHBondContact O-N 2.96Å
766A85.4Confident83.9Confident0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-64.4-35.2177.200000112.4L729 V756 A762 Q763 L769 G770 V771 L798L729-A766 HydrophobicContact CD1-CB 3.91Å; L729-A766 HydrophobicContact CD2-CB 4.14Å; V756-A766 HydrophobicContact CG1-CB 3.8Å; A762-A766 VanDerWaalsContact O-CB 3.26Å; A762-A766 WeakPolarHBondContact O-CB 3.45Å; A762-A766 PolarHBondContact O-N 3.43Å; Q763-A766 PolarHBondContact O-N 3.17Å; Q763-A766 VanDerWaalsContact O-N 3.16Å; A766-L769 PolarHBondContact O-N 3.11Å; A766-G770 PolarHBondContact O-N 2.8Å; A766-V771 HydrophobicContact CB-CB 4.14Å; A766-V771 HydrophobicContact CB-CG2 4.01Å; A766-V771 WeakPolarHBondContact O-CB 3.34Å; A766-V771 WeakPolarHBondContact O-CG2 3.39Å; A766-V771 PolarHBondContact O-N 3.32Å; A766-L798 HydrophobicContact CB-CD2 3.7Å
767K81.7Confident83.6Confident59 Ų5934.5 Ų34.526%0.25720%0.198SC..Hα-helixtrans-61.8-49.2169-69167.4-178.3173.50110.8Q763 D764 L765 L769 G770 L798 Q799Q763-K767 WeakPolarHBondContact O-CG 3.36Å; Q763-K767 PolarHBondContact O-N 3.33Å; D764-K767 PolarHBondContact O-N 2.91Å; D764-K767 IonicContact OD1-NZ 3.5Å; L765-K767 VanDerWaalsContact C-N 3.31Å; L765-K767 PolarHBondContact O-N 3.25Å; K767-L769 VanDerWaalsContact C-N 3.29Å; K767-L769 PolarHBondContact O-N 2.95Å; K767-G770 PolarHBondContact O-N 3.47Å; K767-L798 WeakPolarHBondContact CE-O 3.3Å; K767-Q799 WeakPolarHBondContact CE-O 3.34Å; K767-Q799 PolarHBondContact NZ-O 3.28Å
768S72Confident83.5Confident17 Ų1735.2 Ų35.212%0.11920%0.199CC..Hα-helixtrans-60.3-34.1176.4-171.60000113.4G164 D764 L765 G770G164-S768 WeakPolarHBondContact CA-O 3.08Å; D764-S768 WeakPolarHBondContact O-CB 3.42Å; D764-S768 PolarHBondContact O-N 2.77Å; L765-S768 CarbonylContact O-C 3.51Å; L765-S768 WeakPolarHBondContact O-CB 3.38Å; L765-S768 PolarHBondContact O-N 3.38Å; S768-G770 VanDerWaalsContact C-N 3.3Å
769L71.6Confident83.6Confident10 Ų1032.1 Ų32.15%0.05218%0.176CC..THydrogen-bonded Turntrans-81.3-2.1174.2-66.3174000113.4M145 A180 L729 L765 A766 K767 V771M145-L769 HydrophobicContact CE-CD2 3.52Å; A180-L769 WeakPolarHBondContact CA-O 3.39Å; A180-L769 VanDerWaalsContact CB-O 3.24Å; A180-L769 WeakPolarHBondContact CB-O 3.45Å; A180-L769 PolarHBondContact N-O 2.84Å; L729-L769 HydrophobicContact CB-CD1 3.89Å; L729-L769 HydrophobicContact CD1-CD1 4.18Å; L765-L769 HydrophobicContact CD1-CD1 3.97Å; L765-L769 HydrophobicContact CD1-CG 4.06Å; L765-L769 HydrophobicContact CG-CD1 3.97Å; L765-L769 HydrophobicContact CG-CG 4.42Å; L765-L769 WeakPolarHBondContact O-CB 3.47Å; L765-L769 VanDerWaalsContact O-CG 3.3Å; L765-L769 WeakPolarHBondContact O-CG 3.31Å; L765-L769 PolarHBondContact O-N 2.96Å; A766-L769 PolarHBondContact O-N 3.11Å; K767-L769 VanDerWaalsContact C-N 3.29Å; K767-L769 PolarHBondContact O-N 2.95Å; L769-V771 HydrophobicContact CB-CG2 4.29Å
770G72.9Confident83.6Confident2 Ų234.7 Ų34.72%0.02120%0.196CC..THydrogen-bonded Turntrans78.113.2176.700000115.9A766 K767 S768 T772 S773 Q774A766-G770 PolarHBondContact O-N 2.8Å; K767-G770 PolarHBondContact O-N 3.47Å; S768-G770 VanDerWaalsContact C-N 3.3Å; G770-T772 PolarHBondContact O-N 3.4Å; G770-S773 PolarHBondContact O-N 3.17Å; G770-S773 PolarHBondContact O-OG 3.33Å; G770-Q774 PolarHBondContact O-N 3Å
771V83.8Confident83.8Confident0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-56.7-45.5-173.1174.80000112.5L752 A766 L769 S773 Q774 I775 L798L752-V771 HydrophobicContact CD1-CG1 3.69Å; L752-V771 HydrophobicContact CD2-CG1 3.87Å; L752-V771 HydrophobicContact CD2-CG2 4.48Å; L752-V771 HydrophobicContact CG-CG1 4.29Å; A766-V771 HydrophobicContact CB-CB 4.14Å; A766-V771 HydrophobicContact CB-CG2 4.01Å; A766-V771 WeakPolarHBondContact O-CB 3.34Å; A766-V771 WeakPolarHBondContact O-CG2 3.39Å; A766-V771 PolarHBondContact O-N 3.32Å; L769-V771 HydrophobicContact CB-CG2 4.29Å; V771-S773 PolarHBondContact O-N 3.41Å; V771-S773 VanDerWaalsContact O-N 3.14Å; V771-Q774 PolarHBondContact O-N 3.42Å; V771-I775 HydrophobicContact CG1-CG2 4.39Å; V771-I775 PolarHBondContact O-N 3.4Å; V771-I775 VanDerWaalsContact O-N 3.14Å; V771-L798 HydrophobicContact CB-CD1 4.36Å; V771-L798 HydrophobicContact CG1-CD1 3.97Å
772T82.9Confident84.1Confident43 Ų4333.4 Ų33.426%0.26420%0.196SC..Hα-helixtrans-48.7-45.2-177.2-48.70000112.3G770 I775 A776 L795 L798G770-T772 PolarHBondContact O-N 3.4Å; T772-I775 WeakPolarHBondContact O-CG1 3.44Å; T772-A776 PolarHBondContact O-N 2.93Å; T772-L795 HydrophobicContact CG2-CD2 3.46Å; T772-L795 VanDerWaalsContact CG2-CD2 3.46Å; T772-L795 WeakPolarHBondContact O-CD2 3.39Å; T772-L798 HydrophobicContact CG2-CB 4.38Å
773S72.9Confident84.1Confident47 Ų4739.7 Ų39.733%0.32923%0.229SC..Hα-helixtrans-85-33.5-172.336.90000112.7K179 G770 V771 I775 A776K179-S773 WeakPolarHBondContact CE-OG 3.44Å; G770-S773 PolarHBondContact O-N 3.17Å; G770-S773 PolarHBondContact O-OG 3.33Å; V771-S773 PolarHBondContact O-N 3.41Å; V771-S773 VanDerWaalsContact O-N 3.14Å; S773-I775 VanDerWaalsContact C-N 3.32Å; S773-I775 PolarHBondContact O-N 2.99Å; S773-A776 WeakPolarHBondContact O-CB 3.42Å; S773-A776 PolarHBondContact O-N 3.36Å
774Q80Confident84.2Confident14 Ų1440.9 Ų40.97%0.06524%0.238CC..Hα-helixtrans-60.9-41.1173-179.8-174.359.900112.1S733 E737 G770 V771 K777S733-Q774 VanDerWaalsContact CB-OE1 3.23Å; S733-Q774 PolarHBondContact O-NE2 3.25Å; S733-Q774 PolarHBondContact O-OE1 2.98Å; S733-Q774 VanDerWaalsContact OG-CD 3.3Å; S733-Q774 PolarHBondContact OG-NE2 3.31Å; S733-Q774 PolarHBondContact OG-OE1 3.41Å; E737-Q774 WeakPolarHBondContact OE1-CG 3.42Å; E737-Q774 PolarHBondContact OE1-NE2 3.44Å; G770-Q774 PolarHBondContact O-N 3Å; V771-Q774 PolarHBondContact O-N 3.42Å; Q774-K777 WeakPolarHBondContact O-CD 3.32Å; Q774-K777 WeakPolarHBondContact O-CE 3.48Å
775I89.2Confident84.7Confident0 Ų040.8 Ų40.80%024%0.244CC..Hα-helixtrans-79.1-19.8179.671.4175.9000113.2L736 L749 L752 V771 T772 S773 K777 Y778 C791 V794 L795L736-I775 HydrophobicContact CD1-CG2 3.87Å; L749-I775 HydrophobicContact CD2-CB 3.87Å; L749-I775 HydrophobicContact CD2-CD1 4.3Å; L749-I775 HydrophobicContact CD2-CG2 3.83Å; L752-I775 HydrophobicContact CD1-CG2 3.59Å; V771-I775 HydrophobicContact CG1-CG2 4.39Å; V771-I775 PolarHBondContact O-N 3.4Å; V771-I775 VanDerWaalsContact O-N 3.14Å; T772-I775 WeakPolarHBondContact O-CG1 3.44Å; S773-I775 VanDerWaalsContact C-N 3.32Å; S773-I775 PolarHBondContact O-N 2.99Å; I775-K777 PolarHBondContact O-N 3.42Å; I775-Y778 HydrophobicContact CB-CD2 4.47Å; I775-Y778 WeakPolarHBondContact O-CB 3.5Å; I775-Y778 WeakPolarHBondContact O-CD2 3.42Å; I775-Y778 PolarHBondContact O-N 2.91Å; I775-C791 PolarHBondContact O-SG 2.92Å; I775-V794 HydrophobicContact CD1-CB 3.78Å; I775-V794 HydrophobicContact CD1-CG1 3.48Å; I775-V794 VanDerWaalsContact CD1-CG1 3.48Å; I775-L795 HydrophobicContact CD1-CD2 4.03Å; I775-L795 HydrophobicContact CD1-CG 4.03Å; I775-L795 HydrophobicContact CG1-CD2 3.82Å; I775-L795 HydrophobicContact CG1-CG 4.1Å
776A87.6Confident85.3Confident40 Ų4043.3 Ų43.333%0.33126%0.255SS..Hα-helixtrans-52.6-33.5-174.400000113.7T772 S773 Y778 T779T772-A776 PolarHBondContact O-N 2.93Å; S773-A776 WeakPolarHBondContact O-CB 3.42Å; S773-A776 PolarHBondContact O-N 3.36Å; A776-Y778 PolarHBondContact O-N 3.02Å; A776-T779 WeakPolarHBondContact O-CB 3.37Å; A776-T779 WeakPolarHBondContact O-CG2 3.38Å; A776-T779 PolarHBondContact O-N 3.48Å; A776-T779 VanDerWaalsContact O-N 3.16Å; A776-T779 PolarHBondContact O-OG1 3.5Å
777K88.6Confident85.8Confident97 Ų9743.3 Ų43.342%0.42226%0.255SS..G310 helixtrans-53.9-32.8173.967.6-164.1178.9-171.40113.3L736 Q774 I775 S780L736-K777 WeakPolarHBondContact O-CE 3.49Å; L736-K777 PolarHBondContact O-NZ 3.03Å; Q774-K777 WeakPolarHBondContact O-CD 3.32Å; Q774-K777 WeakPolarHBondContact O-CE 3.48Å; I775-K777 PolarHBondContact O-N 3.42Å; K777-S780 PolarHBondContact O-OG 2.93Å
778Y92.6Very high86.4Confident20 Ų2040.6 Ų40.68%0.07824%0.244CC..G310 helixtrans-78.2-16.1-177.7-62.4-65000114.8L736 V745 L749 I775 A776 S780 V781 V787 G788L736-Y778 HydrophobicContact CB-CE2 4.27Å; L736-Y778 HydrophobicContact CD2-CD2 4.5Å; L736-Y778 HydrophobicContact CD2-CE2 3.79Å; L736-Y778 PolarHBondContact O-OH 3.26Å; V745-Y778 HydrophobicContact CB-CE1 4.44Å; V745-Y778 HydrophobicContact CG1-CD1 3.67Å; V745-Y778 HydrophobicContact CG1-CD2 4.33Å; V745-Y778 HydrophobicContact CG1-CE1 3.53Å; V745-Y778 HydrophobicContact CG1-CE2 4.23Å; V745-Y778 HydrophobicContact CG1-CG 4.07Å; V745-Y778 HydrophobicContact CG2-CE1 4Å; L749-Y778 HydrophobicContact CD2-CD2 4.49Å; I775-Y778 HydrophobicContact CB-CD2 4.47Å; I775-Y778 WeakPolarHBondContact O-CB 3.5Å; I775-Y778 WeakPolarHBondContact O-CD2 3.42Å; I775-Y778 PolarHBondContact O-N 2.91Å; A776-Y778 PolarHBondContact O-N 3.02Å; Y778-S780 PolarHBondContact O-N 2.98Å; Y778-S780 VanDerWaalsContact O-N 3.1Å; Y778-V781 HydrophobicContact CD1-CG2 4.18Å; Y778-V781 WeakPolarHBondContact O-CB 3.07Å; Y778-V781 PolarHBondContact O-N 3.43Å; Y778-V787 HydrophobicContact CD1-CG1 4.26Å; Y778-G788 WeakPolarHBondContact O-CA 3.34Å
779T91.2Very high87.6Confident51 Ų5144.3 Ų44.331%0.31326%0.26SS..G310 helixtrans-57.1-26.1175.957.80000113.8A776 C791 Q792 L795A776-T779 WeakPolarHBondContact O-CB 3.37Å; A776-T779 WeakPolarHBondContact O-CG2 3.38Å; A776-T779 PolarHBondContact O-N 3.48Å; A776-T779 VanDerWaalsContact O-N 3.16Å; A776-T779 PolarHBondContact O-OG1 3.5Å; T779-C791 VanDerWaalsContact CG2-SG 3.53Å; T779-Q792 HydrophobicContact CG2-CG 4.1Å; T779-Q792 PolarHBondContact O-NE2 3.19Å; T779-L795 HydrophobicContact CG2-CD1 3.21Å
780S90.4Very high88.8Confident90 Ų9043.9 Ų43.963%0.62926%0.257SS*.G310 helixtrans-83.9-6.7179.768.20000114.4K777 Y778 T782K777-S780 PolarHBondContact O-OG 2.93Å; Y778-S780 PolarHBondContact O-N 2.98Å; Y778-S780 VanDerWaalsContact O-N 3.1Å; S780-T782 PolarHBondContact O-N 3.43Å
781V91.9Very high89.8Confident21 Ų2143.8 Ų43.813%0.12726%0.256CS..  trans-79107.9-175.8178.80000110.4K742 Y778 D783 V787 G788K742-V781 HydrophobicContact CD-CG1 4.34Å; Y778-V781 HydrophobicContact CD1-CG2 4.18Å; Y778-V781 WeakPolarHBondContact O-CB 3.07Å; Y778-V781 PolarHBondContact O-N 3.43Å; V781-D783 WeakPolarHBondContact CG1-O 3.32Å; V781-V787 HydrophobicContact CB-CB 4.19Å; V781-V787 HydrophobicContact CB-CG1 3.85Å; V781-V787 HydrophobicContact CG1-CB 3.84Å; V781-V787 HydrophobicContact CG1-CG1 3.85Å; V781-V787 HydrophobicContact CG2-CG1 4.17Å; V781-G788 WeakPolarHBondContact O-CA 3.47Å; V781-G788 PolarHBondContact O-N 2.75Å
782T89.7Confident90.4Very high123 Ų12349.1 Ų49.176%0.75528%0.281SS*.  trans-90.6-18.5177.951.60000114.1S780 A785S780-T782 PolarHBondContact O-N 3.43Å; T782-A785 VanDerWaalsContact O-CA 3.3Å; T782-A785 WeakPolarHBondContact O-CA 3.42Å; T782-A785 PolarHBondContact O-N 3.46Å; T782-A785 VanDerWaalsContact O-N 3.1Å
783D88.9Confident91Very high132 Ų13247.9 Ų47.971%0.70627%0.273SS*.THydrogen-bonded Turntrans-131.7117.4178.1-171.318.9000111.9V781V781-D783 WeakPolarHBondContact CG1-O 3.32Å
784P91.5Very high92Very high43 Ų4345.6 Ų45.628%0.27926%0.257SS..THydrogen-bonded Turncis-72.8136.6-12.632-33.2000110.4K742 K786 V787K742-P784 HydrophobicContact CB-CG 4.22Å; P784-K786 HydrophobicContact CB-CG 4.21Å; P784-K786 HydrophobicContact CG-CG 4.23Å; P784-K786 PolarHBondContact O-N 3.28Å; P784-V787 HydrophobicContact CG-CG2 4.06Å; P784-V787 PolarHBondContact O-N 2.9Å
785A92.1Very high92.6Very high44 Ų4446.1 Ų46.136%0.36426%0.26SS..THydrogen-bonded Turntrans-51.9-33-172.800000114.4T782 V787 G788 E789T782-A785 VanDerWaalsContact O-CA 3.3Å; T782-A785 WeakPolarHBondContact O-CA 3.42Å; T782-A785 PolarHBondContact O-N 3.46Å; T782-A785 VanDerWaalsContact O-N 3.1Å; A785-V787 PolarHBondContact O-N 2.92Å; A785-G788 PolarHBondContact O-N 3.48Å; A785-E789 WeakPolarHBondContact CB-OE1 3.35Å; A785-E789 WeakPolarHBondContact O-CG 3.47Å; A785-E789 PolarHBondContact O-N 3.47Å
786K94.6Very high92.8Very high56 Ų5651.6 Ų51.624%0.24328%0.284CS..Hα-helixtrans-51.9-25.9175.371.6177.8-172.2171.30114.8Y534 E743 F746 P784 C790Y534-K786 HydrophobicContact CE1-CB 4.14Å; Y534-K786 WeakPolarHBondContact OH-CA 3.41Å; E743-K786 IonicContact OE2-NZ 3.27Å; E743-K786 PolarHBondContact OE2-NZ 3.41Å; F746-K786 HydrophobicContact CD1-CD 4.05Å; F746-K786 HydrophobicContact CD2-CB 4.11Å; F746-K786 HydrophobicContact CD2-CD 3.93Å; F746-K786 HydrophobicContact CD2-CG 3.72Å; F746-K786 WeakPolarHBondContact CD2-O 3.49Å; F746-K786 HydrophobicContact CE1-CD 3.99Å; F746-K786 HydrophobicContact CE2-CB 3.8Å; F746-K786 HydrophobicContact CE2-CD 3.86Å; F746-K786 HydrophobicContact CE2-CG 3.84Å; F746-K786 HydrophobicContact CG-CD 4.02Å; F746-K786 HydrophobicContact CG-CG 4.18Å; F746-K786 HydrophobicContact CZ-CB 4.44Å; F746-K786 HydrophobicContact CZ-CD 3.9Å; F746-K786 HydrophobicContact CZ-CG 4.38Å; P784-K786 HydrophobicContact CB-CG 4.21Å; P784-K786 HydrophobicContact CG-CG 4.23Å; P784-K786 PolarHBondContact O-N 3.28Å; K786-C790 WeakPolarHBondContact O-CB 3.41Å; K786-C790 PolarHBondContact O-N 3.2Å
787V96Very high92.9Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-70.3-50.6175.5173.20000110.6K742 V745 F746 L749 Y778 V781 P784 A785 C791K742-V787 HydrophobicContact CB-CG2 4.41Å; V745-V787 HydrophobicContact CG1-CG1 3.93Å; F746-V787 HydrophobicContact CB-CG2 4.03Å; L749-V787 HydrophobicContact CD1-CG1 4.02Å; Y778-V787 HydrophobicContact CD1-CG1 4.26Å; V781-V787 HydrophobicContact CB-CB 4.19Å; V781-V787 HydrophobicContact CB-CG1 3.85Å; V781-V787 HydrophobicContact CG1-CB 3.84Å; V781-V787 HydrophobicContact CG1-CG1 3.85Å; V781-V787 HydrophobicContact CG2-CG1 4.17Å; P784-V787 HydrophobicContact CG-CG2 4.06Å; P784-V787 PolarHBondContact O-N 2.9Å; A785-V787 PolarHBondContact O-N 2.92Å; V787-C791 VanDerWaalsContact O-CB 3.23Å; V787-C791 WeakPolarHBondContact O-CB 3.44Å; V787-C791 PolarHBondContact O-N 2.87Å
788G94.6Very high92.8Very high3 Ų348.2 Ų48.23%0.03126%0.263CS..Hα-helixtrans-65.5-44.5177.700000112.3Y778 V781 A785 C791 Q792Y778-G788 WeakPolarHBondContact O-CA 3.34Å; V781-G788 WeakPolarHBondContact O-CA 3.47Å; V781-G788 PolarHBondContact O-N 2.75Å; A785-G788 PolarHBondContact O-N 3.48Å; G788-C791 PolarHBondContact O-N 2.91Å; G788-Q792 VanDerWaalsContact O-CG 3.29Å; G788-Q792 WeakPolarHBondContact O-CG 3.48Å; G788-Q792 PolarHBondContact O-N 3.46Å
789E96Very high92.2Very high95 Ų9556.2 Ų56.244%0.44430%0.301SS..Hα-helixtrans-62.4-47.4178.4-67.1171.8-15400112.3Y534 A785 Q792 L793Y534-E789 HydrophobicContact CE2-CB 3.84Å; Y534-E789 PolarHBondContact OH-OE2 2.92Å; A785-E789 WeakPolarHBondContact CB-OE1 3.35Å; A785-E789 WeakPolarHBondContact O-CG 3.47Å; A785-E789 PolarHBondContact O-N 3.47Å; E789-Q792 PolarHBondContact O-N 2.89Å; E789-L793 PolarHBondContact O-N 2.98Å; E789-L793 VanDerWaalsContact O-N 3.13Å
790C96.4Very high92.3Very high0 Ų056.5 Ų56.50%030%0.3CS..Hα-helixtrans-63-44176-174.70000111.3Y534 F746 K786 Q792 L793 V794Y534-C790 HydrophobicContact CD2-CB 3.64Å; Y534-C790 HydrophobicContact CE2-CB 4Å; Y534-C790 HydrophobicContact CG-CB 4.08Å; F746-C790 HydrophobicContact CD2-CB 4.17Å; F746-C790 HydrophobicContact CE2-CB 3.97Å; K786-C790 WeakPolarHBondContact O-CB 3.41Å; K786-C790 PolarHBondContact O-N 3.2Å; C790-Q792 PolarHBondContact O-N 2.67Å; C790-L793 PolarHBondContact O-N 3.47Å; C790-L793 VanDerWaalsContact O-N 3.15Å; C790-V794 WeakPolarHBondContact O-CG2 3.39Å; C790-V794 PolarHBondContact O-N 3.48Å
791C95.9Very high92.4Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-57.7-45.9176.4178.60000112.5L749 I775 T779 V787 G788 L793 V794 L795L749-C791 HydrophobicContact CD1-CB 3.96Å; L749-C791 HydrophobicContact CD2-CB 4.24Å; I775-C791 PolarHBondContact O-SG 2.92Å; T779-C791 VanDerWaalsContact CG2-SG 3.53Å; V787-C791 VanDerWaalsContact O-CB 3.23Å; V787-C791 WeakPolarHBondContact O-CB 3.44Å; V787-C791 PolarHBondContact O-N 2.87Å; G788-C791 PolarHBondContact O-N 2.91Å; C791-L793 VanDerWaalsContact C-N 3.29Å; C791-L793 PolarHBondContact O-N 3.5Å; C791-V794 PolarHBondContact O-N 3.4Å; C791-L795 WeakPolarHBondContact O-CB 3.44Å; C791-L795 WeakPolarHBondContact O-CG 3.37Å; C791-L795 PolarHBondContact O-N 2.98Å
792Q95.3Very high92.4Very high112 Ų11256.6 Ų56.652%0.52329%0.292SS..Hα-helixtrans-61.6-36.4177-71.4172.318.500112.3T779 G788 E789 C790 K796T779-Q792 HydrophobicContact CG2-CG 4.1Å; T779-Q792 PolarHBondContact O-NE2 3.19Å; G788-Q792 VanDerWaalsContact O-CG 3.29Å; G788-Q792 WeakPolarHBondContact O-CG 3.48Å; G788-Q792 PolarHBondContact O-N 3.46Å; E789-Q792 PolarHBondContact O-N 2.89Å; C790-Q792 PolarHBondContact O-N 2.67Å; Q792-K796 PolarHBondContact O-N 2.8Å; Q792-K796 VanDerWaalsContact O-N 3.14Å
793L95.4Very high92.6Very high17 Ų1752.6 Ų52.69%0.08926%0.264CS..Hα-helixtrans-69.4-42.8174.9-74.1164.7000112.4N532 Y534 F535 E789 C790 C791 L795 K796 E797N532-L793 HydrophobicContact CB-CD1 4.32Å; N532-L793 HydrophobicContact CB-CD2 4.13Å; Y534-L793 HydrophobicContact CD2-CD1 3.77Å; Y534-L793 HydrophobicContact CE2-CD1 4.17Å; F535-L793 HydrophobicContact CE1-CB 3.87Å; F535-L793 HydrophobicContact CZ-CB 4Å; E789-L793 PolarHBondContact O-N 2.98Å; E789-L793 VanDerWaalsContact O-N 3.13Å; C790-L793 PolarHBondContact O-N 3.47Å; C790-L793 VanDerWaalsContact O-N 3.15Å; C791-L793 VanDerWaalsContact C-N 3.29Å; C791-L793 PolarHBondContact O-N 3.5Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L793-L795 PolarHBondContact O-N 3.32Å; L793-K796 WeakPolarHBondContact O-CB 3.4Å; L793-K796 PolarHBondContact O-N 3.13Å; L793-E797 PolarHBondContact O-N 3.14Å
794V95Very high92.8Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-61.5-44174.9-179.70000110.7F535 L749 L752 I775 C790 C791 K796 E797 L798F535-V794 HydrophobicContact CD1-CG2 4.24Å; F535-V794 HydrophobicContact CE1-CB 4.45Å; F535-V794 HydrophobicContact CE1-CG2 3.48Å; F535-V794 VanDerWaalsContact CE1-CG2 3.48Å; F535-V794 HydrophobicContact CZ-CB 4.4Å; F535-V794 HydrophobicContact CZ-CG2 3.81Å; L749-V794 WeakPolarHBondContact O-CG2 3.48Å; L752-V794 HydrophobicContact CB-CG1 4.21Å; I775-V794 HydrophobicContact CD1-CB 3.78Å; I775-V794 HydrophobicContact CD1-CG1 3.48Å; I775-V794 VanDerWaalsContact CD1-CG1 3.48Å; C790-V794 WeakPolarHBondContact O-CG2 3.39Å; C790-V794 PolarHBondContact O-N 3.48Å; C791-V794 PolarHBondContact O-N 3.4Å; V794-K796 PolarHBondContact O-N 3.41Å; V794-E797 PolarHBondContact O-N 3.09Å; V794-L798 HydrophobicContact CG1-CD1 4.04Å; V794-L798 WeakPolarHBondContact O-CG 3.5Å; V794-L798 PolarHBondContact O-N 3.01Å; V794-L798 VanDerWaalsContact O-N 3.16Å
795L92.6Very high92.9Very high25 Ų2548 Ų4813%0.13123%0.234CC..Hα-helixtrans-59.5-32.7176.2-76.9174.8000113.3T772 I775 T779 C791 L793 L798 Q799T772-L795 HydrophobicContact CG2-CD2 3.46Å; T772-L795 VanDerWaalsContact CG2-CD2 3.46Å; T772-L795 WeakPolarHBondContact O-CD2 3.39Å; I775-L795 HydrophobicContact CD1-CD2 4.03Å; I775-L795 HydrophobicContact CD1-CG 4.03Å; I775-L795 HydrophobicContact CG1-CD2 3.82Å; I775-L795 HydrophobicContact CG1-CG 4.1Å; T779-L795 HydrophobicContact CG2-CD1 3.21Å; C791-L795 WeakPolarHBondContact O-CB 3.44Å; C791-L795 WeakPolarHBondContact O-CG 3.37Å; C791-L795 PolarHBondContact O-N 2.98Å; L793-L795 VanDerWaalsContact C-N 3.34Å; L793-L795 PolarHBondContact O-N 3.32Å; L795-L798 CarbonylContact O-C 3.46Å; L795-L798 PolarHBondContact O-N 3.19Å; L795-Q799 WeakPolarHBondContact O-CG 3.49Å; L795-Q799 PolarHBondContact O-N 3.26Å
796K92Very high93Very high115 Ų11548.3 Ų48.350%0.523%0.225SC..Hα-helixtrans-73.5-33.2178.3-172.6-173.4174-167.20112.9Q792 L793 V794Q792-K796 PolarHBondContact O-N 2.8Å; Q792-K796 VanDerWaalsContact O-N 3.14Å; L793-K796 WeakPolarHBondContact O-CB 3.4Å; L793-K796 PolarHBondContact O-N 3.13Å; V794-K796 PolarHBondContact O-N 3.41Å
797E91.1Very high92.8Very high60 Ų6047.7 Ų47.728%0.2822%0.223SC..Hα-helixtrans-72.3-19.2169.7-61.3-72.6134.800112.3F535 V756 Q763 L793 V794F535-E797 HydrophobicContact CE2-CG 3.84Å; F535-E797 HydrophobicContact CZ-CG 4.12Å; V756-E797 HydrophobicContact CG2-CB 4.2Å; Q763-E797 WeakPolarHBondContact CG-O 3.2Å; Q763-E797 PolarHBondContact NE2-O 2.91Å; L793-E797 PolarHBondContact O-N 3.14Å; V794-E797 PolarHBondContact O-N 3.09Å
798L86.4Confident92.6Very high6 Ų651.7 Ų51.73%0.03124%0.242CC..THydrogen-bonded Turntrans-98.718.8177.6-63.3177.9000113.2V756 Q763 A766 K767 V771 T772 V794 L795V756-L798 HydrophobicContact CB-CD2 4.27Å; V756-L798 HydrophobicContact CG1-CD2 4.18Å; V756-L798 HydrophobicContact CG2-CD2 4.07Å; V756-L798 HydrophobicContact CG2-CG 4.47Å; Q763-L798 HydrophobicContact CB-CD2 4.26Å; Q763-L798 HydrophobicContact CG-CD2 4.39Å; A766-L798 HydrophobicContact CB-CD2 3.7Å; K767-L798 WeakPolarHBondContact CE-O 3.3Å; V771-L798 HydrophobicContact CB-CD1 4.36Å; V771-L798 HydrophobicContact CG1-CD1 3.97Å; T772-L798 HydrophobicContact CG2-CB 4.38Å; V794-L798 HydrophobicContact CG1-CD1 4.04Å; V794-L798 WeakPolarHBondContact O-CG 3.5Å; V794-L798 PolarHBondContact O-N 3.01Å; V794-L798 VanDerWaalsContact O-N 3.16Å; L795-L798 CarbonylContact O-C 3.46Å; L795-L798 PolarHBondContact O-N 3.19Å
799Q80.2Confident92.4Very high187 Ų18756.1 Ų56.187%0.87426%0.261SS*.  trans-101.20168.2-77168.21500109K767 L795K767-Q799 WeakPolarHBondContact CE-O 3.34Å; K767-Q799 PolarHBondContact NZ-O 3.28Å; L795-Q799 WeakPolarHBondContact O-CG 3.49Å; L795-Q799 PolarHBondContact O-N 3.26Å

Retrieved 799 of 799 residues in 874.8 ms (Link to these results)

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